smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCCN1CCN(C(=O)CC[NH3+])CC1 ZINC000002599567 384174114 /nfs/dbraw/zinc/17/41/14/384174114.db2.gz SGGUQWSABUQBEW-UHFFFAOYSA-N 1 0 210.281 -0.607 20 30 BBEDRO NC(=[NH2+])NN=C1c2ccc(F)cc2NC1=O ZINC000007711710 643156288 /nfs/dbraw/zinc/15/62/88/643156288.db2.gz MLTIQVUKMRSDCL-UHFFFAOYSA-N 1 0 221.195 -0.035 20 30 BBEDRO C#CCNC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000011391710 166174045 /nfs/dbraw/zinc/17/40/45/166174045.db2.gz PWFGTOHTTBSVOR-UHFFFAOYSA-N 1 0 237.288 -0.518 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000016337816 587633934 /nfs/dbraw/zinc/63/39/34/587633934.db2.gz FPFWPELXOCUDER-SNVBAGLBSA-N 1 0 210.277 -0.560 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000016337818 587633670 /nfs/dbraw/zinc/63/36/70/587633670.db2.gz FPFWPELXOCUDER-JTQLQIEISA-N 1 0 210.277 -0.560 20 30 BBEDRO C=CCN(CC=C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000020247268 636283218 /nfs/dbraw/zinc/28/32/18/636283218.db2.gz MDEWUXRMHXXUEL-UHFFFAOYSA-N 1 0 245.348 -0.190 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CCC[NH2+]CC1 ZINC000020385866 166382049 /nfs/dbraw/zinc/38/20/49/166382049.db2.gz WWKLCALJGGHNRI-SNVBAGLBSA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCC[NH2+]CC1 ZINC000020385872 166387536 /nfs/dbraw/zinc/38/75/36/166387536.db2.gz WWKLCALJGGHNRI-JTQLQIEISA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CCN(CC=C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020434533 136221296 /nfs/dbraw/zinc/22/12/96/136221296.db2.gz XUECPPGMYVGPBC-VHSXEESVSA-N 1 0 210.277 -0.090 20 30 BBEDRO C=CCN(CC=C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020434534 136221254 /nfs/dbraw/zinc/22/12/54/136221254.db2.gz XUECPPGMYVGPBC-NXEZZACHSA-N 1 0 210.277 -0.090 20 30 BBEDRO C=CCN(CC=C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020434535 534824139 /nfs/dbraw/zinc/82/41/39/534824139.db2.gz XUECPPGMYVGPBC-UWVGGRQHSA-N 1 0 210.277 -0.090 20 30 BBEDRO C=CCN(CC=C)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434536 534823958 /nfs/dbraw/zinc/82/39/58/534823958.db2.gz XUECPPGMYVGPBC-ZJUUUORDSA-N 1 0 210.277 -0.090 20 30 BBEDRO N#Cc1ccc(CS(=O)(=O)NCC[NH3+])cc1 ZINC000021813099 343743807 /nfs/dbraw/zinc/74/38/07/343743807.db2.gz MCQKNONGMUWNHK-UHFFFAOYSA-N 1 0 239.300 -0.064 20 30 BBEDRO C=CCNC(=O)CN1CCN(CCC#N)CC1 ZINC000024242421 347604769 /nfs/dbraw/zinc/60/47/69/347604769.db2.gz FSLZRQXDBLTFED-UHFFFAOYSA-N 1 0 236.319 -0.180 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(N)=O)CC1 ZINC000029324717 386813922 /nfs/dbraw/zinc/81/39/22/386813922.db2.gz ZCIIFABEXWRIJM-SECBINFHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C(N)=O)CC1 ZINC000029324722 386813317 /nfs/dbraw/zinc/81/33/17/386813317.db2.gz ZCIIFABEXWRIJM-VIFPVBQESA-N 1 0 237.303 -0.678 20 30 BBEDRO N#Cc1ccnc(N2CCN(CC(N)=O)CC2)c1 ZINC000029443700 132267781 /nfs/dbraw/zinc/26/77/81/132267781.db2.gz UAOAUPFSJSAUSL-UHFFFAOYSA-N 1 0 245.286 -0.439 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(N)=O)CC1 ZINC000032758185 368260333 /nfs/dbraw/zinc/26/03/33/368260333.db2.gz RGUOPYZXJBKYLG-SECBINFHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(C(N)=O)CC1 ZINC000032758186 368259979 /nfs/dbraw/zinc/25/99/79/368259979.db2.gz RGUOPYZXJBKYLG-VIFPVBQESA-N 1 0 239.319 -0.126 20 30 BBEDRO CC[NH+]1CCN(CC(=O)N(C)CCC#N)CC1 ZINC000034652459 355340131 /nfs/dbraw/zinc/34/01/31/355340131.db2.gz HYFQMPJENLJGEP-UHFFFAOYSA-N 1 0 238.335 -0.004 20 30 BBEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(C)CC1 ZINC000034673890 136330553 /nfs/dbraw/zinc/33/05/53/136330553.db2.gz ZBFWSQXKBJRHHP-UHFFFAOYSA-N 1 0 238.335 -0.004 20 30 BBEDRO CN(CCC#N)C(=O)CCN1CCNC(=O)C1 ZINC000034674227 343277040 /nfs/dbraw/zinc/27/70/40/343277040.db2.gz AYFJJJMXHIHZGS-UHFFFAOYSA-N 1 0 238.291 -0.820 20 30 BBEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000035604012 712704516 /nfs/dbraw/zinc/70/45/16/712704516.db2.gz OQIYVAFBGQWZAU-LLVKDONJSA-N 1 0 233.271 -0.051 20 30 BBEDRO N#CCNC(=O)C[NH2+]C[C@H](O)c1ccccc1 ZINC000035604014 712704512 /nfs/dbraw/zinc/70/45/12/712704512.db2.gz OQIYVAFBGQWZAU-NSHDSACASA-N 1 0 233.271 -0.051 20 30 BBEDRO C[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCCO1 ZINC000035735855 384418017 /nfs/dbraw/zinc/41/80/17/384418017.db2.gz UTIWTJBRTYRGSE-IUCAKERBSA-N 1 0 211.265 -0.217 20 30 BBEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCCO1 ZINC000035735856 384417767 /nfs/dbraw/zinc/41/77/67/384417767.db2.gz UTIWTJBRTYRGSE-BDAKNGLRSA-N 1 0 211.265 -0.217 20 30 BBEDRO C[C@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCO1 ZINC000035735857 384417203 /nfs/dbraw/zinc/41/72/03/384417203.db2.gz UTIWTJBRTYRGSE-DTWKUNHWSA-N 1 0 211.265 -0.217 20 30 BBEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCO1 ZINC000035735858 384418325 /nfs/dbraw/zinc/41/83/25/384418325.db2.gz UTIWTJBRTYRGSE-RKDXNWHRSA-N 1 0 211.265 -0.217 20 30 BBEDRO N#Cc1cccc(CS(=O)(=O)NCC[NH3+])c1 ZINC000036286548 384189307 /nfs/dbraw/zinc/18/93/07/384189307.db2.gz HIGQRDFXSOAMIU-UHFFFAOYSA-N 1 0 239.300 -0.064 20 30 BBEDRO C=CCNC(=O)CN(C)C1CC[NH2+]CC1 ZINC000036301377 384454339 /nfs/dbraw/zinc/45/43/39/384454339.db2.gz XKXAPTVNSOUUQA-UHFFFAOYSA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CCC([NH3+])CC1 ZINC000036754621 166376602 /nfs/dbraw/zinc/37/66/02/166376602.db2.gz ZMZCIVOFSQIWOC-UHFFFAOYSA-N 1 0 240.307 -0.579 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CCC[NH2+]CC1 ZINC000036946399 166376346 /nfs/dbraw/zinc/37/63/46/166376346.db2.gz FAQWBXKSBQCLSZ-UHFFFAOYSA-N 1 0 240.307 -0.707 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@H+](C)CC(N)=O ZINC000037268524 346678330 /nfs/dbraw/zinc/67/83/30/346678330.db2.gz TVYUPQSKPYNWIV-UHFFFAOYSA-N 1 0 226.280 -0.834 20 30 BBEDRO CNC(=O)C[N@H+](C)CCC(=O)N(C)CCC#N ZINC000037270629 383968882 /nfs/dbraw/zinc/96/88/82/383968882.db2.gz CYHZABOMCPLOHU-UHFFFAOYSA-N 1 0 240.307 -0.574 20 30 BBEDRO C=CCN(CC=C)C(=O)CNC(=O)C[NH3+] ZINC000037481855 384503448 /nfs/dbraw/zinc/50/34/48/384503448.db2.gz SYWVZBWSALETOI-UHFFFAOYSA-N 1 0 211.265 -0.738 20 30 BBEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCO)cc1 ZINC000037850438 181128719 /nfs/dbraw/zinc/12/87/19/181128719.db2.gz PBEMVDDQPYFINW-LLVKDONJSA-N 1 0 236.271 -0.120 20 30 BBEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCO)cc1 ZINC000037850439 181128327 /nfs/dbraw/zinc/12/83/27/181128327.db2.gz PBEMVDDQPYFINW-NSHDSACASA-N 1 0 236.271 -0.120 20 30 BBEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCO ZINC000037888056 371179573 /nfs/dbraw/zinc/17/95/73/371179573.db2.gz VSTIGQVTJTZOGY-LLVKDONJSA-N 1 0 236.271 -0.120 20 30 BBEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCO ZINC000037888057 371180691 /nfs/dbraw/zinc/18/06/91/371180691.db2.gz VSTIGQVTJTZOGY-NSHDSACASA-N 1 0 236.271 -0.120 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@H+](C)CCO ZINC000037899278 342995156 /nfs/dbraw/zinc/99/51/56/342995156.db2.gz RXZDSALPCLLQGZ-UHFFFAOYSA-N 1 0 213.281 -0.327 20 30 BBEDRO CC(C)(C)OC(=O)NCCNC(N)=[NH2+] ZINC000038284711 384081720 /nfs/dbraw/zinc/08/17/20/384081720.db2.gz IPJRCLWNTDYOAF-UHFFFAOYSA-N 1 0 202.258 -0.216 20 30 BBEDRO N#CCNC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000041023700 181042625 /nfs/dbraw/zinc/04/26/25/181042625.db2.gz QPAXMBDTTPPLND-UHFFFAOYSA-N 1 0 238.276 -0.627 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CCC[C@H]([NH3+])C1 ZINC000041028879 166377139 /nfs/dbraw/zinc/37/71/39/166377139.db2.gz GYZUTQWRWDGSKN-VIFPVBQESA-N 1 0 240.307 -0.579 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000041028880 166376299 /nfs/dbraw/zinc/37/62/99/166376299.db2.gz GYZUTQWRWDGSKN-SECBINFHSA-N 1 0 240.307 -0.579 20 30 BBEDRO C=CCNC(=O)CN1CC[NH+](CC)CC1 ZINC000041363744 166365214 /nfs/dbraw/zinc/36/52/14/166365214.db2.gz RQKUBLPHZAHTDQ-UHFFFAOYSA-N 1 0 211.309 -0.074 20 30 BBEDRO C=CCN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000041598934 166351139 /nfs/dbraw/zinc/35/11/39/166351139.db2.gz SRVHHGLAYYQAOZ-UHFFFAOYSA-N 1 0 209.249 -0.154 20 30 BBEDRO C[NH+](C)CCNC(=O)CSCC#N ZINC000041749829 368289454 /nfs/dbraw/zinc/28/94/54/368289454.db2.gz TUHMKEFXEMPNFB-UHFFFAOYSA-N 1 0 201.295 -0.079 20 30 BBEDRO CC(C)(C#N)C(=O)NCCN1CCOCC1 ZINC000042127607 398330805 /nfs/dbraw/zinc/33/08/05/398330805.db2.gz WUKBVWUPBQAALK-UHFFFAOYSA-N 1 0 225.292 -0.015 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1CC[NH+](CC)CC1 ZINC000042243154 323245224 /nfs/dbraw/zinc/24/52/24/323245224.db2.gz WYXUNWOHVXITGH-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1CC[NH+](CC)CC1 ZINC000042243156 323244874 /nfs/dbraw/zinc/24/48/74/323244874.db2.gz WYXUNWOHVXITGH-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000042286941 135219877 /nfs/dbraw/zinc/21/98/77/135219877.db2.gz CYXKNJTWBFYWSA-UWVGGRQHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000042286942 135219777 /nfs/dbraw/zinc/21/97/77/135219777.db2.gz CYXKNJTWBFYWSA-ZJUUUORDSA-N 1 0 210.277 -0.419 20 30 BBEDRO CCN(CC(=O)NC(N)=O)C[C@@H](C)C#N ZINC000042323948 135221723 /nfs/dbraw/zinc/22/17/23/135221723.db2.gz HSBJEIBGXTYSAU-ZETCQYMHSA-N 1 0 212.253 -0.337 20 30 BBEDRO CCN(CC(=O)NC(N)=O)C[C@H](C)C#N ZINC000042323950 135221554 /nfs/dbraw/zinc/22/15/54/135221554.db2.gz HSBJEIBGXTYSAU-SSDOTTSWSA-N 1 0 212.253 -0.337 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(O)CC1 ZINC000042335157 352626097 /nfs/dbraw/zinc/62/60/97/352626097.db2.gz KKWZTZCDQDRDGH-VIFPVBQESA-N 1 0 210.277 -0.419 20 30 BBEDRO C[C@@H](C#N)CN(C)CC(=O)N1CCN(C)CC1 ZINC000042461050 374271521 /nfs/dbraw/zinc/27/15/21/374271521.db2.gz WJYTTYFQXGXJQB-NSHDSACASA-N 1 0 238.335 -0.148 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000042540278 322838648 /nfs/dbraw/zinc/83/86/48/322838648.db2.gz LOPUYDZJSBYENU-QWRGUYRKSA-N 1 0 234.303 -0.001 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000042540281 323161445 /nfs/dbraw/zinc/16/14/45/323161445.db2.gz LOPUYDZJSBYENU-MNOVXSKESA-N 1 0 234.303 -0.001 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000042540284 322838794 /nfs/dbraw/zinc/83/87/94/322838794.db2.gz LOPUYDZJSBYENU-WDEREUQCSA-N 1 0 234.303 -0.001 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000042540287 322838764 /nfs/dbraw/zinc/83/87/64/322838764.db2.gz LOPUYDZJSBYENU-GHMZBOCLSA-N 1 0 234.303 -0.001 20 30 BBEDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)NCC#N ZINC000042540480 358525689 /nfs/dbraw/zinc/52/56/89/358525689.db2.gz ZJUIJVUGNSGYOG-VIFPVBQESA-N 1 0 221.264 -0.499 20 30 BBEDRO C[C@H](Cn1cccn1)[NH2+]CC(=O)NCC#N ZINC000042540483 358525449 /nfs/dbraw/zinc/52/54/49/358525449.db2.gz ZJUIJVUGNSGYOG-SECBINFHSA-N 1 0 221.264 -0.499 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCn1cccn1 ZINC000042540970 384643519 /nfs/dbraw/zinc/64/35/19/384643519.db2.gz MOQCJDBKXVEORN-JTQLQIEISA-N 1 0 220.276 -0.389 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCn1cccn1 ZINC000042540973 323161475 /nfs/dbraw/zinc/16/14/75/323161475.db2.gz MOQCJDBKXVEORN-SNVBAGLBSA-N 1 0 220.276 -0.389 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000044531207 135226249 /nfs/dbraw/zinc/22/62/49/135226249.db2.gz UIFYYNOHWBZTTQ-SNVBAGLBSA-N 1 0 211.309 -0.041 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000044531209 135226147 /nfs/dbraw/zinc/22/61/47/135226147.db2.gz UIFYYNOHWBZTTQ-JTQLQIEISA-N 1 0 211.309 -0.041 20 30 BBEDRO C[NH+](C)CC(=O)N1CCN(CCCC#N)CC1 ZINC000045944532 386508400 /nfs/dbraw/zinc/50/84/00/386508400.db2.gz FRJMBCLHHZQCHO-UHFFFAOYSA-N 1 0 238.335 -0.004 20 30 BBEDRO C[NH+](C)CC(=O)N1CCN(CC#N)CC1 ZINC000045944541 385280153 /nfs/dbraw/zinc/28/01/53/385280153.db2.gz YGJMTJDYCHCFQX-UHFFFAOYSA-N 1 0 210.281 -0.784 20 30 BBEDRO C#CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000045944565 386509494 /nfs/dbraw/zinc/50/94/94/386509494.db2.gz YMJNBQVLLPCWRH-UHFFFAOYSA-N 1 0 209.293 -0.675 20 30 BBEDRO C[NH+](C)CC(=O)N1CCN(CCC#N)CC1 ZINC000045944568 342992147 /nfs/dbraw/zinc/99/21/47/342992147.db2.gz JHHNAULBURWTRG-UHFFFAOYSA-N 1 0 224.308 -0.394 20 30 BBEDRO CC(C)[C@](C)(C#N)NC(=O)CN(C)CC(N)=O ZINC000047628758 343563959 /nfs/dbraw/zinc/56/39/59/343563959.db2.gz XKERRDUDDLOWGO-NSHDSACASA-N 1 0 240.307 -0.542 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000047865723 386569385 /nfs/dbraw/zinc/56/93/85/386569385.db2.gz JJPLDOPRXZXSDL-JTQLQIEISA-N 1 0 212.293 -0.007 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000047865724 383835798 /nfs/dbraw/zinc/83/57/98/383835798.db2.gz JJPLDOPRXZXSDL-SNVBAGLBSA-N 1 0 212.293 -0.007 20 30 BBEDRO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)NCCC#N ZINC000048335981 643596858 /nfs/dbraw/zinc/59/68/58/643596858.db2.gz NXDVVDAYXSWGHO-VIFPVBQESA-N 1 0 241.291 -0.243 20 30 BBEDRO CCn1cc(C#N)c(=O)n(CC[NH+](C)C)c1=O ZINC000048499249 491108899 /nfs/dbraw/zinc/10/88/99/491108899.db2.gz VUKCMQFHRIWANM-UHFFFAOYSA-N 1 0 236.275 -0.537 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2CCNC(=O)C2)CC1 ZINC000049375957 323160076 /nfs/dbraw/zinc/16/00/76/323160076.db2.gz NAGSOTIAIUQNKG-UHFFFAOYSA-N 1 0 249.314 -0.710 20 30 BBEDRO N#CCCNC(=O)C[N@H+]1CCCC[C@H]1CO ZINC000049751879 643355181 /nfs/dbraw/zinc/35/51/81/643355181.db2.gz BMWXJAUXICSRKY-JTQLQIEISA-N 1 0 225.292 -0.137 20 30 BBEDRO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000049751881 643355736 /nfs/dbraw/zinc/35/57/36/643355736.db2.gz BMWXJAUXICSRKY-SNVBAGLBSA-N 1 0 225.292 -0.137 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000049752233 631914417 /nfs/dbraw/zinc/91/44/17/631914417.db2.gz RELZFYMGYHRKRV-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CO ZINC000049752235 631913321 /nfs/dbraw/zinc/91/33/21/631913321.db2.gz RELZFYMGYHRKRV-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+](CC)CCO ZINC000049754393 358700369 /nfs/dbraw/zinc/70/03/69/358700369.db2.gz NMHHSNVTLMWFFD-UHFFFAOYSA-N 1 0 229.280 -0.688 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@H+](CC)CCO ZINC000049754839 384042803 /nfs/dbraw/zinc/04/28/03/384042803.db2.gz BTZTVJDYOLGRTJ-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCO ZINC000049754841 384042393 /nfs/dbraw/zinc/04/23/93/384042393.db2.gz BTZTVJDYOLGRTJ-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO N#CCCNC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000049774087 643390882 /nfs/dbraw/zinc/39/08/82/643390882.db2.gz DZCXGBAFGFLIBG-JTQLQIEISA-N 1 0 225.292 -0.279 20 30 BBEDRO N#CCCNC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000049774089 643391262 /nfs/dbraw/zinc/39/12/62/643391262.db2.gz DZCXGBAFGFLIBG-SNVBAGLBSA-N 1 0 225.292 -0.279 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CCO)CCCC ZINC000049800573 643623537 /nfs/dbraw/zinc/62/35/37/643623537.db2.gz DDUIFQWTTBHOCD-UHFFFAOYSA-N 1 0 212.293 -0.170 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000049801638 636022722 /nfs/dbraw/zinc/02/27/22/636022722.db2.gz OOYSPZJLJQDHPI-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CCO ZINC000049801639 636022068 /nfs/dbraw/zinc/02/20/68/636022068.db2.gz OOYSPZJLJQDHPI-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO C=CCNC(=O)C[N@H+](CCC)CCO ZINC000049825328 384053042 /nfs/dbraw/zinc/05/30/42/384053042.db2.gz DUHNKONPWRTIGD-UHFFFAOYSA-N 1 0 200.282 -0.007 20 30 BBEDRO C=CCNC(=O)C[N@@H+](CCO)C(C)C ZINC000049825329 386655247 /nfs/dbraw/zinc/65/52/47/386655247.db2.gz IIASXAUAPVGNNQ-UHFFFAOYSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+](CCC)CCO ZINC000049825428 358703220 /nfs/dbraw/zinc/70/32/20/358703220.db2.gz BNCJIKZYMCAWRS-UHFFFAOYSA-N 1 0 243.307 -0.298 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](CCO)C(C)C ZINC000049825429 353168785 /nfs/dbraw/zinc/16/87/85/353168785.db2.gz OTEIMIWFKUJRES-UHFFFAOYSA-N 1 0 243.307 -0.299 20 30 BBEDRO CCC[N@H+](CCO)CC(=O)NCCC#N ZINC000049826408 643471770 /nfs/dbraw/zinc/47/17/70/643471770.db2.gz WYDWPCUUFODFDS-UHFFFAOYSA-N 1 0 213.281 -0.279 20 30 BBEDRO C#CCNC(=O)C[N@H+](CC)CCC(=O)OC ZINC000050053370 631938573 /nfs/dbraw/zinc/93/85/73/631938573.db2.gz OYEXLNWMWIIQCT-UHFFFAOYSA-N 1 0 226.276 -0.379 20 30 BBEDRO CC[N@H+](CCC(=O)OC)CC(=O)NCCC#N ZINC000050053723 643628819 /nfs/dbraw/zinc/62/88/19/643628819.db2.gz UCNUHKUZNHRUKD-UHFFFAOYSA-N 1 0 241.291 -0.099 20 30 BBEDRO CC[N@H+](CCC(=O)OC)CC(=O)NCC#N ZINC000050053749 344717544 /nfs/dbraw/zinc/71/75/44/344717544.db2.gz OSWKZAWBHHCSAH-UHFFFAOYSA-N 1 0 227.264 -0.489 20 30 BBEDRO CCOC(=O)CCN(C)CC(=O)NCC#N ZINC000050067265 170203272 /nfs/dbraw/zinc/20/32/72/170203272.db2.gz UJYWQOQLGZSPFM-UHFFFAOYSA-N 1 0 227.264 -0.489 20 30 BBEDRO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)NCC#N ZINC000050068909 344719454 /nfs/dbraw/zinc/71/94/54/344719454.db2.gz FRVCWWGOMBXZQS-QMMMGPOBSA-N 1 0 227.264 -0.633 20 30 BBEDRO COC(=O)[C@H](C)C[N@H+](C)CC(=O)NCC#N ZINC000050068911 344719218 /nfs/dbraw/zinc/71/92/18/344719218.db2.gz FRVCWWGOMBXZQS-MRVPVSSYSA-N 1 0 227.264 -0.633 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)OC ZINC000050069065 386685558 /nfs/dbraw/zinc/68/55/58/386685558.db2.gz RTUDVHYRRVNVHD-UWVGGRQHSA-N 1 0 240.303 -0.135 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000050069066 386684470 /nfs/dbraw/zinc/68/44/70/386684470.db2.gz RTUDVHYRRVNVHD-ZJUUUORDSA-N 1 0 240.303 -0.135 20 30 BBEDRO CCCC[N@H+](CCO)CC(=O)NCC#N ZINC000050106150 344720675 /nfs/dbraw/zinc/72/06/75/344720675.db2.gz RISYNSBRFHIDOZ-UHFFFAOYSA-N 1 0 213.281 -0.279 20 30 BBEDRO N#CCCNC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000050113939 631944592 /nfs/dbraw/zinc/94/45/92/631944592.db2.gz OORBLXCDXGBLLF-SECBINFHSA-N 1 0 211.265 -0.527 20 30 BBEDRO N#CCCNC(=O)C[N@H+]1CCC[C@H]1CO ZINC000050113942 643593109 /nfs/dbraw/zinc/59/31/09/643593109.db2.gz OORBLXCDXGBLLF-VIFPVBQESA-N 1 0 211.265 -0.527 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000050114836 386683649 /nfs/dbraw/zinc/68/36/49/386683649.db2.gz CUTNTMBXWMWBNG-SECBINFHSA-N 1 0 241.291 -0.545 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000050114838 386683372 /nfs/dbraw/zinc/68/33/72/386683372.db2.gz CUTNTMBXWMWBNG-VIFPVBQESA-N 1 0 241.291 -0.545 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H]([NH3+])C1 ZINC000050243294 643657427 /nfs/dbraw/zinc/65/74/27/643657427.db2.gz UMWHXGRQVIEJJJ-QMMMGPOBSA-N 1 0 226.280 -0.969 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[C@@H]([NH3+])C1 ZINC000050243295 386691824 /nfs/dbraw/zinc/69/18/24/386691824.db2.gz UMWHXGRQVIEJJJ-MRVPVSSYSA-N 1 0 226.280 -0.969 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H](C[NH3+])C1 ZINC000050248077 166376834 /nfs/dbraw/zinc/37/68/34/166376834.db2.gz AKXLVKMQXSQRJJ-SECBINFHSA-N 1 0 240.307 -0.721 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000050248080 166376997 /nfs/dbraw/zinc/37/69/97/166376997.db2.gz AKXLVKMQXSQRJJ-VIFPVBQESA-N 1 0 240.307 -0.721 20 30 BBEDRO C=CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762263 358761422 /nfs/dbraw/zinc/76/14/22/358761422.db2.gz GYSCXJICWVFKOA-UHFFFAOYSA-N 1 0 211.309 -0.122 20 30 BBEDRO C=C(C)CN(CC)C(=O)CN(C)CC(N)=O ZINC000051826761 343118036 /nfs/dbraw/zinc/11/80/36/343118036.db2.gz YXNZEPFSSMXHLI-UHFFFAOYSA-N 1 0 227.308 -0.172 20 30 BBEDRO C=CCN(CC=C)C(=O)CN(C)CC(N)=O ZINC000051826832 350850483 /nfs/dbraw/zinc/85/04/83/350850483.db2.gz QAPCWJIVSFCXRG-UHFFFAOYSA-N 1 0 225.292 -0.396 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O ZINC000051837945 398345145 /nfs/dbraw/zinc/34/51/45/398345145.db2.gz ABYOQVDDPCWSDE-IUCAKERBSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000051837947 386870936 /nfs/dbraw/zinc/87/09/36/386870936.db2.gz ABYOQVDDPCWSDE-BDAKNGLRSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)O ZINC000051837979 134687612 /nfs/dbraw/zinc/68/76/12/134687612.db2.gz NITYVCHBNDGKSK-QMMMGPOBSA-N 1 0 229.280 -0.689 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)O ZINC000051837981 358764037 /nfs/dbraw/zinc/76/40/37/358764037.db2.gz NITYVCHBNDGKSK-MRVPVSSYSA-N 1 0 229.280 -0.689 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC000051887790 386870551 /nfs/dbraw/zinc/87/05/51/386870551.db2.gz SJKGPJBYXPDCDJ-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC000051887791 386869513 /nfs/dbraw/zinc/86/95/13/386869513.db2.gz SJKGPJBYXPDCDJ-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051887810 386872155 /nfs/dbraw/zinc/87/21/55/386872155.db2.gz RHZHVZMLOYLSFO-VIFPVBQESA-N 1 0 241.291 -0.688 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000051887811 386873268 /nfs/dbraw/zinc/87/32/68/386873268.db2.gz RHZHVZMLOYLSFO-SECBINFHSA-N 1 0 241.291 -0.688 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC000051888010 386870695 /nfs/dbraw/zinc/87/06/95/386870695.db2.gz USASRQFIKUTOMY-UWVGGRQHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC000051888011 135484251 /nfs/dbraw/zinc/48/42/51/135484251.db2.gz USASRQFIKUTOMY-ZJUUUORDSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000051895435 636025481 /nfs/dbraw/zinc/02/54/81/636025481.db2.gz PMGDKQHXASOTTO-LLVKDONJSA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000051895437 636025839 /nfs/dbraw/zinc/02/58/39/636025839.db2.gz PMGDKQHXASOTTO-NSHDSACASA-N 1 0 224.304 -0.170 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000051896189 358090704 /nfs/dbraw/zinc/09/07/04/358090704.db2.gz RXRJRUGXOMGJPX-SNVBAGLBSA-N 1 0 225.292 -0.279 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000051896191 358091216 /nfs/dbraw/zinc/09/12/16/358091216.db2.gz RXRJRUGXOMGJPX-JTQLQIEISA-N 1 0 225.292 -0.279 20 30 BBEDRO C#CCNC(=O)CN1CC[NH+](CC2CC2)CC1 ZINC000052164405 323192657 /nfs/dbraw/zinc/19/26/57/323192657.db2.gz XLXKFJXOYALTGG-UHFFFAOYSA-N 1 0 235.331 -0.237 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC000052396025 353201023 /nfs/dbraw/zinc/20/10/23/353201023.db2.gz QWIQJBAPAQDRGP-QWRGUYRKSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC000052396026 353201038 /nfs/dbraw/zinc/20/10/38/353201038.db2.gz QWIQJBAPAQDRGP-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCO ZINC000052762147 353218400 /nfs/dbraw/zinc/21/84/00/353218400.db2.gz QURMNMNRVRRAMC-SNVBAGLBSA-N 1 0 225.292 -0.137 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCC[C@H]1CCCO ZINC000052762148 353218730 /nfs/dbraw/zinc/21/87/30/353218730.db2.gz QURMNMNRVRRAMC-JTQLQIEISA-N 1 0 225.292 -0.137 20 30 BBEDRO N#CCCNC(=O)C[NH2+]C1(CO)CCCC1 ZINC000053069824 711651549 /nfs/dbraw/zinc/65/15/49/711651549.db2.gz WOVZOPSKZDOQIR-UHFFFAOYSA-N 1 0 225.292 -0.089 20 30 BBEDRO N#CCNC(=O)C[NH2+]C1(CO)CCCC1 ZINC000053069827 346527104 /nfs/dbraw/zinc/52/71/04/346527104.db2.gz CJIDXLFNOSGBDM-UHFFFAOYSA-N 1 0 211.265 -0.479 20 30 BBEDRO N#CCNC(=O)C[NH2+]C1(CO)CCCCC1 ZINC000053097383 353557256 /nfs/dbraw/zinc/55/72/56/353557256.db2.gz MTVXOXOKKRRXMX-UHFFFAOYSA-N 1 0 225.292 -0.089 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@@H]([NH2+]C)C1 ZINC000053203818 346638109 /nfs/dbraw/zinc/63/81/09/346638109.db2.gz ASZKBZLXUWPWQG-SNVBAGLBSA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@H]([NH2+]C)C1 ZINC000053203819 346638184 /nfs/dbraw/zinc/63/81/84/346638184.db2.gz ASZKBZLXUWPWQG-JTQLQIEISA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CCOCC[NH2+]CCS(C)(=O)=O ZINC000053560713 634243221 /nfs/dbraw/zinc/24/32/21/634243221.db2.gz WMYVPPVQSRLWMY-UHFFFAOYSA-N 1 0 207.295 -0.177 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@H]1C(=O)N(C)C ZINC000053815850 363489726 /nfs/dbraw/zinc/48/97/26/363489726.db2.gz DSXBMKDCUFMILE-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000053815851 363490041 /nfs/dbraw/zinc/49/00/41/363490041.db2.gz DSXBMKDCUFMILE-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C#CCNC(=O)C[NH+]1CCC(OC)CC1 ZINC000053897809 635165794 /nfs/dbraw/zinc/16/57/94/635165794.db2.gz AQXZGVKHVAZNAP-UHFFFAOYSA-N 1 0 210.277 -0.153 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)CCOC ZINC000054354284 363569518 /nfs/dbraw/zinc/56/95/18/363569518.db2.gz WPWXFYZYSBIZHR-UHFFFAOYSA-N 1 0 229.280 -0.424 20 30 BBEDRO C#CCNC(=O)C[N@H+](CCCOC)CCOC ZINC000054365218 636035309 /nfs/dbraw/zinc/03/53/09/636035309.db2.gz IBTMFZCUEZHBCY-UHFFFAOYSA-N 1 0 242.319 -0.279 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[NH2+]C[C@H]1C ZINC000054372706 353333722 /nfs/dbraw/zinc/33/37/22/353333722.db2.gz GPSIARWFYVCFEH-SECBINFHSA-N 1 0 240.307 -0.708 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[NH2+]C[C@@H]1C ZINC000054372707 353333872 /nfs/dbraw/zinc/33/38/72/353333872.db2.gz GPSIARWFYVCFEH-VIFPVBQESA-N 1 0 240.307 -0.708 20 30 BBEDRO C=CCCC(=O)NCCN1CC[NH2+]CC1 ZINC000054400814 347817401 /nfs/dbraw/zinc/81/74/01/347817401.db2.gz TXULQZZMTWTSHX-UHFFFAOYSA-N 1 0 211.309 -0.026 20 30 BBEDRO C=CCCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000054400872 349032662 /nfs/dbraw/zinc/03/26/62/349032662.db2.gz YBOADIHPXKZLNF-UHFFFAOYSA-N 1 0 225.292 -0.499 20 30 BBEDRO C#CCNC(=O)CN(CCC)CC(=O)NC ZINC000056508871 640548459 /nfs/dbraw/zinc/54/84/59/640548459.db2.gz AHQDDLMNIVXGTL-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)NCCO)CC1 ZINC000057137128 368484156 /nfs/dbraw/zinc/48/41/56/368484156.db2.gz WYBGZCLSSIOCOM-UHFFFAOYSA-N 1 0 210.277 -0.560 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)OC)CC1 ZINC000057139402 398193661 /nfs/dbraw/zinc/19/36/61/398193661.db2.gz FTARJTDCDZLLJI-UHFFFAOYSA-N 1 0 238.287 -0.379 20 30 BBEDRO C=CCN1CCN(CC(=O)N(C)C)CC1 ZINC000058087162 350142140 /nfs/dbraw/zinc/14/21/40/350142140.db2.gz XREZQLONTBHFQP-UHFFFAOYSA-N 1 0 211.309 -0.122 20 30 BBEDRO COCC[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC000061380967 488092910 /nfs/dbraw/zinc/09/29/10/488092910.db2.gz RVDUAVXRRYMCDI-VIFPVBQESA-N 1 0 213.281 -0.160 20 30 BBEDRO COCC[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC000061380971 488092833 /nfs/dbraw/zinc/09/28/33/488092833.db2.gz RVDUAVXRRYMCDI-SECBINFHSA-N 1 0 213.281 -0.160 20 30 BBEDRO C[NH+](C)CCN1CCN(C(=O)CC#N)CC1 ZINC000061645883 535873825 /nfs/dbraw/zinc/87/38/25/535873825.db2.gz QMGUKXHVJUFYKA-UHFFFAOYSA-N 1 0 224.308 -0.394 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645899 387841998 /nfs/dbraw/zinc/84/19/98/387841998.db2.gz SQDFTIYJJVYLGO-NSHDSACASA-N 1 0 238.335 -0.148 20 30 BBEDRO C[C@H](C#N)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645900 387842317 /nfs/dbraw/zinc/84/23/17/387842317.db2.gz SQDFTIYJJVYLGO-LLVKDONJSA-N 1 0 238.335 -0.148 20 30 BBEDRO C[C@](C#N)(NC(=O)CN1CC[C@H](O)C1)C1CC1 ZINC000061707662 353523527 /nfs/dbraw/zinc/52/35/27/353523527.db2.gz YNCQWMNMVMOANM-CMPLNLGQSA-N 1 0 237.303 -0.139 20 30 BBEDRO C[C@@](C#N)(NC(=O)CN1CC[C@H](O)C1)C1CC1 ZINC000061707663 353523229 /nfs/dbraw/zinc/52/32/29/353523229.db2.gz YNCQWMNMVMOANM-JQWIXIFHSA-N 1 0 237.303 -0.139 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H](O)C1 ZINC000061708890 353523241 /nfs/dbraw/zinc/52/32/41/353523241.db2.gz KQHUTIWVDLWCFV-QMMMGPOBSA-N 1 0 227.264 -0.935 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](O)C1 ZINC000061710385 387844945 /nfs/dbraw/zinc/84/49/45/387844945.db2.gz QCCYNCZDWFUOEX-JTQLQIEISA-N 1 0 225.292 -0.185 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](O)C1 ZINC000061710386 387843886 /nfs/dbraw/zinc/84/38/86/387843886.db2.gz QCCYNCZDWFUOEX-SNVBAGLBSA-N 1 0 225.292 -0.185 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000063002979 187229318 /nfs/dbraw/zinc/22/93/18/187229318.db2.gz RHVHVKVGYXPBEM-LLVKDONJSA-N 1 0 233.271 -0.051 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000063002980 188254490 /nfs/dbraw/zinc/25/44/90/188254490.db2.gz RHVHVKVGYXPBEM-NSHDSACASA-N 1 0 233.271 -0.051 20 30 BBEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000063093078 347506073 /nfs/dbraw/zinc/50/60/73/347506073.db2.gz GUXVSPDZXQPPDN-IUCAKERBSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000063093079 347506065 /nfs/dbraw/zinc/50/60/65/347506065.db2.gz GUXVSPDZXQPPDN-BDAKNGLRSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000063093081 347505984 /nfs/dbraw/zinc/50/59/84/347505984.db2.gz GUXVSPDZXQPPDN-DTWKUNHWSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000063093083 347506016 /nfs/dbraw/zinc/50/60/16/347506016.db2.gz GUXVSPDZXQPPDN-RKDXNWHRSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[C@@H](CC#N)N(C)C(=O)CN1CC[NH2+]CC1 ZINC000063093317 347505869 /nfs/dbraw/zinc/50/58/69/347505869.db2.gz JPZLWNLEWFZUOL-JTQLQIEISA-N 1 0 224.308 -0.348 20 30 BBEDRO C[C@H](CC#N)N(C)C(=O)CN1CC[NH2+]CC1 ZINC000063093319 347505881 /nfs/dbraw/zinc/50/58/81/347505881.db2.gz JPZLWNLEWFZUOL-SNVBAGLBSA-N 1 0 224.308 -0.348 20 30 BBEDRO N#CCCNC(=O)C[N@H+](CCO)CC1CC1 ZINC000064516386 642673298 /nfs/dbraw/zinc/67/32/98/642673298.db2.gz GFJYGKNHWAUMLP-UHFFFAOYSA-N 1 0 225.292 -0.279 20 30 BBEDRO C=CCNC(=O)C[N@H+](CCO)CC1CC1 ZINC000064516399 368608056 /nfs/dbraw/zinc/60/80/56/368608056.db2.gz HGIIDSDDPGYPBC-UHFFFAOYSA-N 1 0 212.293 -0.007 20 30 BBEDRO C=CCNC(=[NH2+])NCCN1CCOCC1 ZINC000066244947 343857945 /nfs/dbraw/zinc/85/79/45/343857945.db2.gz APUIRPVGFNITTC-UHFFFAOYSA-N 1 0 212.297 -0.591 20 30 BBEDRO CCNC(NCCN1CCOCC1)=[NH+]CC ZINC000066244949 632859750 /nfs/dbraw/zinc/85/97/50/632859750.db2.gz NIWLOQZOZLBBIA-UHFFFAOYSA-N 1 0 228.340 -0.106 20 30 BBEDRO CCNC(NCCOCCO)=[NH+]CC ZINC000066244970 711779715 /nfs/dbraw/zinc/77/97/15/711779715.db2.gz JLRWKFFJKJMTQS-UHFFFAOYSA-N 1 0 203.286 -0.430 20 30 BBEDRO CCNC(NCCNS(C)(=O)=O)=[NH+]CC ZINC000066245210 632861146 /nfs/dbraw/zinc/86/11/46/632861146.db2.gz WZGWJVYTGYVLJJ-UHFFFAOYSA-N 1 0 236.341 -0.889 20 30 BBEDRO CC(C)C[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC000066473645 368649664 /nfs/dbraw/zinc/64/96/64/368649664.db2.gz CWYHHQDHTSIUFJ-UHFFFAOYSA-N 1 0 238.335 -0.100 20 30 BBEDRO CC(C)[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC000066492642 191137905 /nfs/dbraw/zinc/13/79/05/191137905.db2.gz SKMDVAHYWJZHSI-UHFFFAOYSA-N 1 0 224.308 -0.348 20 30 BBEDRO N#CCNC(=O)CN1CC[NH+](CC2CC2)CC1 ZINC000066495263 353806873 /nfs/dbraw/zinc/80/68/73/353806873.db2.gz SDWDXWQKECFLII-UHFFFAOYSA-N 1 0 236.319 -0.346 20 30 BBEDRO COCCC[N@H+](CCOC)CC(=O)NCC#N ZINC000066495551 398123243 /nfs/dbraw/zinc/12/32/43/398123243.db2.gz BYJZKMQDLWYVFR-UHFFFAOYSA-N 1 0 243.307 -0.389 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000066497162 353806815 /nfs/dbraw/zinc/80/68/15/353806815.db2.gz CIUQJMVDOALCGJ-VIFPVBQESA-N 1 0 238.291 -0.644 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000066497163 353807129 /nfs/dbraw/zinc/80/71/29/353807129.db2.gz CIUQJMVDOALCGJ-SECBINFHSA-N 1 0 238.291 -0.644 20 30 BBEDRO N#CCNC(=O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066498065 324756290 /nfs/dbraw/zinc/75/62/90/324756290.db2.gz PVEWSQVQLNRSGD-LLVKDONJSA-N 1 0 236.319 -0.204 20 30 BBEDRO N#CCNC(=O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000066498066 388719333 /nfs/dbraw/zinc/71/93/33/388719333.db2.gz PVEWSQVQLNRSGD-NSHDSACASA-N 1 0 236.319 -0.204 20 30 BBEDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000066539563 134888657 /nfs/dbraw/zinc/88/86/57/134888657.db2.gz IMYBSRSCTOEGSY-UWVGGRQHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000066539566 387087799 /nfs/dbraw/zinc/08/77/99/387087799.db2.gz IMYBSRSCTOEGSY-ZJUUUORDSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000066539568 387087288 /nfs/dbraw/zinc/08/72/88/387087288.db2.gz IMYBSRSCTOEGSY-VHSXEESVSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000066539571 387086461 /nfs/dbraw/zinc/08/64/61/387086461.db2.gz IMYBSRSCTOEGSY-NXEZZACHSA-N 1 0 225.292 -0.139 20 30 BBEDRO CC(C)[N@@H+](CC(=O)NCC#N)C[C@@H](C)O ZINC000066539689 368652883 /nfs/dbraw/zinc/65/28/83/368652883.db2.gz KHTJYRSDPAKZPO-SECBINFHSA-N 1 0 213.281 -0.283 20 30 BBEDRO CC(C)[N@@H+](CC(=O)NCC#N)C[C@H](C)O ZINC000066539691 368652325 /nfs/dbraw/zinc/65/23/25/368652325.db2.gz KHTJYRSDPAKZPO-VIFPVBQESA-N 1 0 213.281 -0.283 20 30 BBEDRO C#CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000066563853 388720217 /nfs/dbraw/zinc/72/02/17/388720217.db2.gz DCNQLFKFOOMYAB-NSHDSACASA-N 1 0 222.288 -0.057 20 30 BBEDRO CC[N@@H+](CC(=O)NCC#N)C[C@@H]1CCOC1 ZINC000066664770 370600540 /nfs/dbraw/zinc/60/05/40/370600540.db2.gz VWUZOSBCWXIWMC-JTQLQIEISA-N 1 0 225.292 -0.015 20 30 BBEDRO CC[N@@H+](CC(=O)NCC#N)C[C@H]1CCOC1 ZINC000066664771 370600678 /nfs/dbraw/zinc/60/06/78/370600678.db2.gz VWUZOSBCWXIWMC-SNVBAGLBSA-N 1 0 225.292 -0.015 20 30 BBEDRO CC[N@@H+]1CCCN(CC(=O)NCC#N)CC1 ZINC000066664983 191137699 /nfs/dbraw/zinc/13/76/99/191137699.db2.gz YXVMAYYNBMORTF-UHFFFAOYSA-N 1 0 224.308 -0.346 20 30 BBEDRO CC(C)(C)C[N@H+](CCO)CC(=O)NCC#N ZINC000066666425 370600855 /nfs/dbraw/zinc/60/08/55/370600855.db2.gz QZOFNQDERQLFSX-UHFFFAOYSA-N 1 0 227.308 -0.033 20 30 BBEDRO C#CCNC(=O)CN1CC[NH+](CC)CC1 ZINC000066696936 324764661 /nfs/dbraw/zinc/76/46/61/324764661.db2.gz BCDUAXLZIVBZEZ-UHFFFAOYSA-N 1 0 209.293 -0.627 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)CCCOC ZINC000066865526 368664079 /nfs/dbraw/zinc/66/40/79/368664079.db2.gz HKCDKSSZKKWKQP-UHFFFAOYSA-N 1 0 243.307 -0.034 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1cc[nH]n1 ZINC000066991148 388726924 /nfs/dbraw/zinc/72/69/24/388726924.db2.gz OWHVUFHESOJUEL-UHFFFAOYSA-N 1 0 206.249 -0.361 20 30 BBEDRO C#CCNC(=O)CN1CC[NH+](CCC)CC1 ZINC000067130241 388729385 /nfs/dbraw/zinc/72/93/85/388729385.db2.gz IAUIKVZHVUVRKL-UHFFFAOYSA-N 1 0 223.320 -0.237 20 30 BBEDRO C#CCNC(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000068554591 711887840 /nfs/dbraw/zinc/88/78/40/711887840.db2.gz HOPTZYDAIFCTMH-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000068554592 711887854 /nfs/dbraw/zinc/88/78/54/711887854.db2.gz HOPTZYDAIFCTMH-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO CC[N@H+](C)CCNS(=O)(=O)N(C)CCC#N ZINC000068960589 362472028 /nfs/dbraw/zinc/47/20/28/362472028.db2.gz GHMOYBDDDYXZED-UHFFFAOYSA-N 1 0 248.352 -0.382 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)COC)CC1 ZINC000068990693 711022185 /nfs/dbraw/zinc/02/21/85/711022185.db2.gz IZAHCNMAPOSSPZ-UHFFFAOYSA-N 1 0 210.277 -0.153 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000069629508 383834373 /nfs/dbraw/zinc/83/43/73/383834373.db2.gz LTDMKFGUMPVAMH-AOOOYVTPSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000069629510 383833307 /nfs/dbraw/zinc/83/33/07/383833307.db2.gz LTDMKFGUMPVAMH-UWVGGRQHSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000069629512 134403358 /nfs/dbraw/zinc/40/33/58/134403358.db2.gz LTDMKFGUMPVAMH-NXEZZACHSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H](C[NH2+]C)C1 ZINC000070799805 343340869 /nfs/dbraw/zinc/34/08/69/343340869.db2.gz SZOIVQGMFLXOFK-JTQLQIEISA-N 1 0 211.309 -0.170 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H](C[NH2+]C)C1 ZINC000070799810 343340939 /nfs/dbraw/zinc/34/09/39/343340939.db2.gz SZOIVQGMFLXOFK-SNVBAGLBSA-N 1 0 211.309 -0.170 20 30 BBEDRO COCCN(CCC#N)CCOCCO ZINC000070844983 343513174 /nfs/dbraw/zinc/51/31/74/343513174.db2.gz ZLVRVXKASKVIQJ-UHFFFAOYSA-N 1 0 216.281 -0.143 20 30 BBEDRO CNC(=O)CCN(CCC#N)CCOC ZINC000070846154 343513103 /nfs/dbraw/zinc/51/31/03/343513103.db2.gz ORJOIGIHYOZENP-UHFFFAOYSA-N 1 0 213.281 -0.015 20 30 BBEDRO C=CCNC(=O)CN(CC)[C@@H]1CC[NH2+]C1 ZINC000070899829 643082280 /nfs/dbraw/zinc/08/22/80/643082280.db2.gz JGKXTJDWNNVGDC-SNVBAGLBSA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CCNC(=O)CN(CC)[C@H]1CC[NH2+]C1 ZINC000070899834 643465407 /nfs/dbraw/zinc/46/54/07/643465407.db2.gz JGKXTJDWNNVGDC-JTQLQIEISA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CCNC(=O)CN(C)CCN1CC[NH2+]CC1 ZINC000071150638 411335544 /nfs/dbraw/zinc/33/55/44/411335544.db2.gz SNXCLBOKPOTVGN-UHFFFAOYSA-N 1 0 240.351 -0.874 20 30 BBEDRO N#Cc1cnc(N2CCC[N@@H+](CCO)CC2)cn1 ZINC000071178564 384668007 /nfs/dbraw/zinc/66/80/07/384668007.db2.gz ZIZNPRUZLWHKPS-UHFFFAOYSA-N 1 0 247.302 -0.147 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000071311264 643122789 /nfs/dbraw/zinc/12/27/89/643122789.db2.gz LUKFNYNAIBALRL-SECBINFHSA-N 1 0 240.307 -0.708 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)[C@H]1CC[NH2+]C1 ZINC000071311265 133643935 /nfs/dbraw/zinc/64/39/35/133643935.db2.gz LUKFNYNAIBALRL-VIFPVBQESA-N 1 0 240.307 -0.708 20 30 BBEDRO N#Cc1nccnc1N1CCC[N@@H+](CCO)CC1 ZINC000071349706 181172776 /nfs/dbraw/zinc/17/27/76/181172776.db2.gz OHIUZKHYFOUVFZ-UHFFFAOYSA-N 1 0 247.302 -0.147 20 30 BBEDRO C[NH+]=C(NCCn1cncn1)NC(C)C ZINC000072592956 368776004 /nfs/dbraw/zinc/77/60/04/368776004.db2.gz UDQAIMSVQACYBL-UHFFFAOYSA-N 1 0 210.285 -0.149 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N(C)CC(=O)N(C)C ZINC000072878478 351694444 /nfs/dbraw/zinc/69/44/44/351694444.db2.gz WMTDAOCIRIIIDJ-SECBINFHSA-N 1 0 227.308 -0.303 20 30 BBEDRO CC(C)[N@H+](C)CC(=O)N1CCN(CC#N)CC1 ZINC000073100101 344983850 /nfs/dbraw/zinc/98/38/50/344983850.db2.gz CJIORIDNROYZJD-UHFFFAOYSA-N 1 0 238.335 -0.006 20 30 BBEDRO CNC(=[NH2+])N1CCN(C(=O)c2ccco2)CC1 ZINC000073178607 398194882 /nfs/dbraw/zinc/19/48/82/398194882.db2.gz AJCIEMFHMWMXRN-UHFFFAOYSA-N 1 0 236.275 -0.018 20 30 BBEDRO CCNC(NCCN1C(=O)CCC1=O)=[NH+]CC ZINC000073279746 643422332 /nfs/dbraw/zinc/42/23/32/643422332.db2.gz RHHORNRQMXPWQQ-UHFFFAOYSA-N 1 0 240.307 -0.290 20 30 BBEDRO CN/C(=[NH+]/C)N1CCN(c2ncccn2)CC1 ZINC000073445916 135389247 /nfs/dbraw/zinc/38/92/47/135389247.db2.gz JWGCPSQCCQLZMF-UHFFFAOYSA-N 1 0 234.307 -0.196 20 30 BBEDRO CC(C)(CNC(N)=[NH2+])N1CCOCC1 ZINC000073757070 353296423 /nfs/dbraw/zinc/29/64/23/353296423.db2.gz SWIFOJJTGBZXKT-UHFFFAOYSA-N 1 0 200.286 -0.629 20 30 BBEDRO C#CCN(CC#C)C(=O)CN1CC[NH+](CC)CC1 ZINC000074226584 364261543 /nfs/dbraw/zinc/26/15/43/364261543.db2.gz NMLQOYLKBDJABU-UHFFFAOYSA-N 1 0 247.342 -0.281 20 30 BBEDRO C=CCNC(=O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000074286408 325238770 /nfs/dbraw/zinc/23/87/70/325238770.db2.gz DVNLALBEHYOOFD-UHFFFAOYSA-N 1 0 227.308 -0.255 20 30 BBEDRO C#CCNC(=O)C[NH+]1CCC(O)(CC)CC1 ZINC000075858710 641776963 /nfs/dbraw/zinc/77/69/63/641776963.db2.gz XVPAYUHPMLYYGQ-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO CCC1(O)CCN(CC(=O)NCC#N)CC1 ZINC000075859616 344785853 /nfs/dbraw/zinc/78/58/53/344785853.db2.gz UDSPZFWYGAEYHN-UHFFFAOYSA-N 1 0 225.292 -0.137 20 30 BBEDRO CNC(=[NH2+])NCC(=O)NCCc1ccccc1 ZINC000076105439 344794504 /nfs/dbraw/zinc/79/45/04/344794504.db2.gz NLXACBQGTARJFD-UHFFFAOYSA-N 1 0 234.303 -0.121 20 30 BBEDRO C=CCNC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000076105475 344794755 /nfs/dbraw/zinc/79/47/55/344794755.db2.gz RNCXSDPJQXSLMG-UHFFFAOYSA-N 1 0 246.336 -0.888 20 30 BBEDRO [NH2+]=C(NCCN1CCCS1(=O)=O)NC1CC1 ZINC000076105479 643086340 /nfs/dbraw/zinc/08/63/40/643086340.db2.gz BPHRYBVENHRAPY-UHFFFAOYSA-N 1 0 246.336 -0.911 20 30 BBEDRO NC(=[NH2+])NCC(=O)N1CCc2ccccc21 ZINC000076105746 344794730 /nfs/dbraw/zinc/79/47/30/344794730.db2.gz SSIBEJMDUVRQDZ-UHFFFAOYSA-N 1 0 218.260 -0.151 20 30 BBEDRO NC(=[NH2+])NCC(=O)N1CCc2ccccc2C1 ZINC000076105783 410055475 /nfs/dbraw/zinc/05/54/75/410055475.db2.gz XAULTKOGIBHBFC-UHFFFAOYSA-N 1 0 232.287 -0.155 20 30 BBEDRO C#CC[NH+](CC#C)CCC(=O)NC(=O)NC ZINC000076185196 353332129 /nfs/dbraw/zinc/33/21/29/353332129.db2.gz GBLOUJIFAYBQOK-UHFFFAOYSA-N 1 0 221.260 -0.600 20 30 BBEDRO C#CCN(CC#C)C[C@H](O)CN1CCOCC1 ZINC000076185238 344799317 /nfs/dbraw/zinc/79/93/17/344799317.db2.gz BWHRZMXWNIHAKN-ZDUSSCGKSA-N 1 0 236.315 -0.752 20 30 BBEDRO C#CCN(CC#C)C[C@@H](O)CN1CCOCC1 ZINC000076185239 344799175 /nfs/dbraw/zinc/79/91/75/344799175.db2.gz BWHRZMXWNIHAKN-CYBMUJFWSA-N 1 0 236.315 -0.752 20 30 BBEDRO C#CC[NH+](CC#C)C[C@H](O)Cn1cccn1 ZINC000076185456 353331690 /nfs/dbraw/zinc/33/16/90/353331690.db2.gz PEGBHZRTLXUSMG-LBPRGKRZSA-N 1 0 217.272 -0.188 20 30 BBEDRO C#CC[NH+](CC#C)C[C@@H](O)Cn1cccn1 ZINC000076185457 353332124 /nfs/dbraw/zinc/33/21/24/353332124.db2.gz PEGBHZRTLXUSMG-GFCCVEGCSA-N 1 0 217.272 -0.188 20 30 BBEDRO C#CC[NH+](CC#C)CCC(=O)N1CCOCC1 ZINC000076185625 325335293 /nfs/dbraw/zinc/33/52/93/325335293.db2.gz XJQLCXVQDIWMCJ-UHFFFAOYSA-N 1 0 234.299 -0.196 20 30 BBEDRO C#CC[NH+](CC#C)CCC(=O)NCC(=O)OC ZINC000076185847 398226894 /nfs/dbraw/zinc/22/68/94/398226894.db2.gz MPUQJTKJDXLPSI-UHFFFAOYSA-N 1 0 236.271 -0.766 20 30 BBEDRO C#CC[NH+](CC#C)CCCN1C(=O)CNC1=O ZINC000076185901 353331650 /nfs/dbraw/zinc/33/16/50/353331650.db2.gz DDGBMONRPVPLHY-UHFFFAOYSA-N 1 0 233.271 -0.503 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](OC)C1 ZINC000076346747 641176283 /nfs/dbraw/zinc/17/62/83/641176283.db2.gz SSIKMSHPJZSCRA-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCOC ZINC000077409102 135066137 /nfs/dbraw/zinc/06/61/37/135066137.db2.gz FBKXKEAKRMMDDC-VIFPVBQESA-N 1 0 243.307 -0.035 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCOC ZINC000077409103 534862453 /nfs/dbraw/zinc/86/24/53/534862453.db2.gz FBKXKEAKRMMDDC-SECBINFHSA-N 1 0 243.307 -0.035 20 30 BBEDRO C=CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000077749916 344826553 /nfs/dbraw/zinc/82/65/53/344826553.db2.gz LSBFIESRYSEBLQ-UHFFFAOYSA-N 1 0 227.308 -0.072 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000078406589 166367693 /nfs/dbraw/zinc/36/76/93/166367693.db2.gz DSQLWXLWRHTJCT-ZJUUUORDSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000078406595 166369020 /nfs/dbraw/zinc/36/90/20/166369020.db2.gz DSQLWXLWRHTJCT-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000078406597 166368524 /nfs/dbraw/zinc/36/85/24/166368524.db2.gz DSQLWXLWRHTJCT-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000078406603 166368421 /nfs/dbraw/zinc/36/84/21/166368421.db2.gz DSQLWXLWRHTJCT-VHSXEESVSA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CCN1CCc2nn(C)c(=O)cc2C1 ZINC000078621115 344100112 /nfs/dbraw/zinc/10/01/12/344100112.db2.gz QPFNXVQNCUMQLL-UHFFFAOYSA-N 1 0 203.245 -0.228 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)O ZINC000078727829 166377317 /nfs/dbraw/zinc/37/73/17/166377317.db2.gz VZFNANUFGZIOSG-UHFFFAOYSA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)CC(C)(C)O ZINC000078727845 166366347 /nfs/dbraw/zinc/36/63/47/166366347.db2.gz KDPZDVPLSZUPMA-UHFFFAOYSA-N 1 0 200.282 -0.009 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CC)CC(C)(C)O ZINC000078747262 641949250 /nfs/dbraw/zinc/94/92/50/641949250.db2.gz IYHBGQAJOSZBTH-UHFFFAOYSA-N 1 0 212.293 -0.171 20 30 BBEDRO CC[N@H+](CC(=O)NCC#N)CC(C)(C)O ZINC000078747945 135394738 /nfs/dbraw/zinc/39/47/38/135394738.db2.gz BRSQPHLHYJSAEU-UHFFFAOYSA-N 1 0 213.281 -0.281 20 30 BBEDRO C[N@H+](CC(=O)NCCC#N)CC(C)(C)O ZINC000078778272 641953034 /nfs/dbraw/zinc/95/30/34/641953034.db2.gz DGVGCGPZOITTQJ-UHFFFAOYSA-N 1 0 213.281 -0.281 20 30 BBEDRO C=CCNC(=O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000079769988 490464033 /nfs/dbraw/zinc/46/40/33/490464033.db2.gz FBUFJKOQEUCZDX-JTQLQIEISA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000079769990 490058511 /nfs/dbraw/zinc/05/85/11/490058511.db2.gz FBUFJKOQEUCZDX-SNVBAGLBSA-N 1 0 212.293 -0.009 20 30 BBEDRO CCN(CCC#N)CCC(=O)NCC(=O)OC ZINC000081054580 345460311 /nfs/dbraw/zinc/46/03/11/345460311.db2.gz DYIUYTYISBPGRG-UHFFFAOYSA-N 1 0 241.291 -0.099 20 30 BBEDRO C=CCNC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000081100235 711900694 /nfs/dbraw/zinc/90/06/94/711900694.db2.gz WQPIDRNPVDKDCC-UHFFFAOYSA-N 1 0 225.292 -0.324 20 30 BBEDRO C#CCNC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000081100254 643196000 /nfs/dbraw/zinc/19/60/00/643196000.db2.gz GNNIUVSYVVAKRL-UHFFFAOYSA-N 1 0 223.276 -0.877 20 30 BBEDRO CN1CCO[C@H](C(=O)N(CC#N)C2CC2)C1 ZINC000081291461 353405403 /nfs/dbraw/zinc/40/54/03/353405403.db2.gz GBGYCEBAPFMPSI-JTQLQIEISA-N 1 0 223.276 -0.168 20 30 BBEDRO CCOC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000081521741 353410201 /nfs/dbraw/zinc/41/02/01/353410201.db2.gz HNXCQQRSKCIVHR-SNVBAGLBSA-N 1 0 225.292 -0.015 20 30 BBEDRO CCOC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000081521743 353410092 /nfs/dbraw/zinc/41/00/92/353410092.db2.gz HNXCQQRSKCIVHR-JTQLQIEISA-N 1 0 225.292 -0.015 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000081526949 644329054 /nfs/dbraw/zinc/32/90/54/644329054.db2.gz BPQLBGYFUULHJQ-VIFPVBQESA-N 1 0 225.292 -0.950 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000081526956 644327975 /nfs/dbraw/zinc/32/79/75/644327975.db2.gz BPQLBGYFUULHJQ-SECBINFHSA-N 1 0 225.292 -0.950 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000081554526 135387051 /nfs/dbraw/zinc/38/70/51/135387051.db2.gz HWBFZWQTESMUTC-VIFPVBQESA-N 1 0 227.308 -0.398 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000081555289 353410034 /nfs/dbraw/zinc/41/00/34/353410034.db2.gz IVJLAGHLXCMMCV-UWVGGRQHSA-N 1 0 241.335 -0.009 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000081555293 353410283 /nfs/dbraw/zinc/41/02/83/353410283.db2.gz IVJLAGHLXCMMCV-ZJUUUORDSA-N 1 0 241.335 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000081580045 135387980 /nfs/dbraw/zinc/38/79/80/135387980.db2.gz HWBFZWQTESMUTC-SECBINFHSA-N 1 0 227.308 -0.398 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000081607004 384192516 /nfs/dbraw/zinc/19/25/16/384192516.db2.gz IXFJQIQTRUJNRC-SECBINFHSA-N 1 0 227.308 -0.222 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000081607039 634015678 /nfs/dbraw/zinc/01/56/78/634015678.db2.gz GDSOQLCZUSJVPS-SECBINFHSA-N 1 0 225.292 -0.775 20 30 BBEDRO N#CCCN(CCO)CCN1CCOCC1 ZINC000081640479 359609245 /nfs/dbraw/zinc/60/92/45/359609245.db2.gz GLUNJOZMHYNVDM-UHFFFAOYSA-N 1 0 227.308 -0.473 20 30 BBEDRO C#CC[NH2+]CC(=O)NCCCC(=O)OC ZINC000082239387 636868792 /nfs/dbraw/zinc/86/87/92/636868792.db2.gz RDAIFSXCTDTKNU-UHFFFAOYSA-N 1 0 212.249 -0.721 20 30 BBEDRO C#CC[NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000082344032 644368099 /nfs/dbraw/zinc/36/80/99/644368099.db2.gz LCQCSZSFWBFGGY-JTQLQIEISA-N 1 0 226.276 -0.477 20 30 BBEDRO C#CC[NH2+]CC(=O)N[C@@H](C(=O)OC)C(C)C ZINC000082344034 644369331 /nfs/dbraw/zinc/36/93/31/644369331.db2.gz LCQCSZSFWBFGGY-SNVBAGLBSA-N 1 0 226.276 -0.477 20 30 BBEDRO C#CC[NH2+]CC(=O)N(CCOC)CCOC ZINC000082344095 636868823 /nfs/dbraw/zinc/86/88/23/636868823.db2.gz QANLZOUIGFLUBA-UHFFFAOYSA-N 1 0 228.292 -0.669 20 30 BBEDRO C=CCN1CC[C@H](N2CC[NH2+]CC2)C1=O ZINC000082533279 166359311 /nfs/dbraw/zinc/35/93/11/166359311.db2.gz BDYAGXXILKCUQS-JTQLQIEISA-N 1 0 209.293 -0.322 20 30 BBEDRO C=CCN1CC[C@@H](N2CC[NH2+]CC2)C1=O ZINC000082533280 166357959 /nfs/dbraw/zinc/35/79/59/166357959.db2.gz BDYAGXXILKCUQS-SNVBAGLBSA-N 1 0 209.293 -0.322 20 30 BBEDRO Cc1nc(C(=O)NCC[NH3+])ccc1C#N ZINC000082639500 384513205 /nfs/dbraw/zinc/51/32/05/384513205.db2.gz YODZXMCPDNKQRK-UHFFFAOYSA-N 1 0 204.233 -0.050 20 30 BBEDRO C=CCn1cc(C(=O)N2CC[NH2+]CC2)nn1 ZINC000082657337 487708348 /nfs/dbraw/zinc/70/83/48/487708348.db2.gz URIOYRVEMKHZNK-UHFFFAOYSA-N 1 0 221.264 -0.491 20 30 BBEDRO N#Cc1cc(C[NH+](CCO)CCO)ccn1 ZINC000082668719 345664713 /nfs/dbraw/zinc/66/47/13/345664713.db2.gz ZFJVHYUKSJOXAJ-UHFFFAOYSA-N 1 0 221.260 -0.260 20 30 BBEDRO [NH2+]=C(NC[C@@]1(O)CCSC1)N1CCOCC1 ZINC000083053629 643405133 /nfs/dbraw/zinc/40/51/33/643405133.db2.gz OIPHNMUYWJZGMF-JTQLQIEISA-N 1 0 245.348 -0.499 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000083118617 643416515 /nfs/dbraw/zinc/41/65/15/643416515.db2.gz INGXCSGTGHRMRQ-NXEZZACHSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000083118618 643417017 /nfs/dbraw/zinc/41/70/17/643417017.db2.gz INGXCSGTGHRMRQ-ZJUUUORDSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000083118619 643415803 /nfs/dbraw/zinc/41/58/03/643415803.db2.gz INGXCSGTGHRMRQ-VHSXEESVSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000083118620 643416989 /nfs/dbraw/zinc/41/69/89/643416989.db2.gz INGXCSGTGHRMRQ-UWVGGRQHSA-N 1 0 211.309 -0.029 20 30 BBEDRO CN(CCC#N)CCN1C(=O)CCC1=O ZINC000083217318 343512500 /nfs/dbraw/zinc/51/25/00/343512500.db2.gz QEDMPSFLUDUYGW-UHFFFAOYSA-N 1 0 209.249 -0.019 20 30 BBEDRO COC(=O)CNC(=O)CCN(C)CCC#N ZINC000083217615 384751041 /nfs/dbraw/zinc/75/10/41/384751041.db2.gz MBGKKGKXMUTSPK-UHFFFAOYSA-N 1 0 227.264 -0.489 20 30 BBEDRO C=CC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083244890 345505562 /nfs/dbraw/zinc/50/55/62/345505562.db2.gz TYMLNZVCGDUTQW-NSHDSACASA-N 1 0 214.309 -0.203 20 30 BBEDRO C=CC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000083244891 345505801 /nfs/dbraw/zinc/50/58/01/345505801.db2.gz TYMLNZVCGDUTQW-LLVKDONJSA-N 1 0 214.309 -0.203 20 30 BBEDRO C#CC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245803 345505733 /nfs/dbraw/zinc/50/57/33/345505733.db2.gz JVLIBYURKKFPLV-NSHDSACASA-N 1 0 212.293 -0.756 20 30 BBEDRO C#CC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000083245805 345505660 /nfs/dbraw/zinc/50/56/60/345505660.db2.gz JVLIBYURKKFPLV-LLVKDONJSA-N 1 0 212.293 -0.756 20 30 BBEDRO C[N@H+](CCCC#N)C[C@H](O)CN1CCOCC1 ZINC000083245850 349783873 /nfs/dbraw/zinc/78/38/73/349783873.db2.gz BPOFVHCFOFONFX-LBPRGKRZSA-N 1 0 241.335 -0.085 20 30 BBEDRO C[N@H+](CCCC#N)C[C@@H](O)CN1CCOCC1 ZINC000083245853 349783816 /nfs/dbraw/zinc/78/38/16/349783816.db2.gz BPOFVHCFOFONFX-GFCCVEGCSA-N 1 0 241.335 -0.085 20 30 BBEDRO CC#CC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245934 388047193 /nfs/dbraw/zinc/04/71/93/388047193.db2.gz PWIIOOKUOHRNFZ-LBPRGKRZSA-N 1 0 226.320 -0.365 20 30 BBEDRO CC#CC[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000083245936 388047770 /nfs/dbraw/zinc/04/77/70/388047770.db2.gz PWIIOOKUOHRNFZ-GFCCVEGCSA-N 1 0 226.320 -0.365 20 30 BBEDRO N#CCNC(=O)C[NH2+]CC1(O)CCCC1 ZINC000083466330 351386858 /nfs/dbraw/zinc/38/68/58/351386858.db2.gz WEALUVVEFLEERK-UHFFFAOYSA-N 1 0 211.265 -0.479 20 30 BBEDRO N#CCNC(=O)C[NH2+]CC1(O)CCCCC1 ZINC000083466418 631426413 /nfs/dbraw/zinc/42/64/13/631426413.db2.gz TVXVWLJVVDKTTK-UHFFFAOYSA-N 1 0 225.292 -0.089 20 30 BBEDRO OCC(CO)[NH2+]CC#Cc1ccccc1 ZINC000083694089 343496721 /nfs/dbraw/zinc/49/67/21/343496721.db2.gz BIKLFRSXCONOTK-UHFFFAOYSA-N 1 0 205.257 -0.019 20 30 BBEDRO N#Cc1cc(C[NH2+]C(CO)CO)ccn1 ZINC000083694125 343657650 /nfs/dbraw/zinc/65/76/50/343657650.db2.gz HZKBOORJIWFHAX-UHFFFAOYSA-N 1 0 207.233 -0.604 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CC[NH2+][C@H](C)C1 ZINC000083814607 711810088 /nfs/dbraw/zinc/81/00/88/711810088.db2.gz ALGQGYVQPLLVOA-ZJUUUORDSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CC[NH2+][C@@H](C)C1 ZINC000083814608 711810071 /nfs/dbraw/zinc/81/00/71/711810071.db2.gz ALGQGYVQPLLVOA-UWVGGRQHSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+]CC1(C)C ZINC000083842632 487941962 /nfs/dbraw/zinc/94/19/62/487941962.db2.gz OMDMABRBSKZAJM-UHFFFAOYSA-N 1 0 211.309 -0.028 20 30 BBEDRO CC[N@H+](C)CCNS(=O)(=O)[C@@H](C)C#N ZINC000083922177 384348619 /nfs/dbraw/zinc/34/86/19/384348619.db2.gz GEXYXNCFXBQCAK-QMMMGPOBSA-N 1 0 219.310 -0.230 20 30 BBEDRO CC[N@H+](C)CCNS(=O)(=O)[C@H](C)C#N ZINC000083922178 384348726 /nfs/dbraw/zinc/34/87/26/384348726.db2.gz GEXYXNCFXBQCAK-MRVPVSSYSA-N 1 0 219.310 -0.230 20 30 BBEDRO N#Cc1nccn1CCN1CC[NH2+]CC1 ZINC000084193676 368851148 /nfs/dbraw/zinc/85/11/48/368851148.db2.gz YYPNHBGYXQVOHR-UHFFFAOYSA-N 1 0 205.265 -0.340 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](COC)C1 ZINC000084439307 644425594 /nfs/dbraw/zinc/42/55/94/644425594.db2.gz ZFKBZANBWBUAGC-SNVBAGLBSA-N 1 0 210.277 -0.296 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H](COC)C1 ZINC000084439308 636874968 /nfs/dbraw/zinc/87/49/68/636874968.db2.gz ZFKBZANBWBUAGC-JTQLQIEISA-N 1 0 210.277 -0.296 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1CC(O)C1 ZINC000084453784 166183712 /nfs/dbraw/zinc/18/37/12/166183712.db2.gz OZYWNJINEURCLY-WHXUTIOJSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CC(O)C1 ZINC000084453786 166181306 /nfs/dbraw/zinc/18/13/06/166181306.db2.gz OZYWNJINEURCLY-KPPDAEKUSA-N 1 0 224.304 -0.173 20 30 BBEDRO C=CCNC(=O)C[N@H+](C)CC1CC(O)C1 ZINC000084453926 166367026 /nfs/dbraw/zinc/36/70/26/166367026.db2.gz JHBADDHCVVQJIE-UHFFFAOYSA-N 1 0 212.293 -0.009 20 30 BBEDRO N#Cc1ccccc1S(=O)(=O)NC1C[NH2+]C1 ZINC000085256398 344513322 /nfs/dbraw/zinc/51/33/22/344513322.db2.gz UGCRNVMLLPQULO-UHFFFAOYSA-N 1 0 237.284 -0.192 20 30 BBEDRO N#Cc1cccc(S(=O)(=O)NC2C[NH2+]C2)c1 ZINC000085256456 344513386 /nfs/dbraw/zinc/51/33/86/344513386.db2.gz XFWQGKLYRGSAHC-UHFFFAOYSA-N 1 0 237.284 -0.192 20 30 BBEDRO CN1CCO[C@H](C(=O)N2CCOC[C@@H]2C#N)C1 ZINC000085542614 384531122 /nfs/dbraw/zinc/53/11/22/384531122.db2.gz HWZAQNQZQJFUQI-UWVGGRQHSA-N 1 0 239.275 -0.932 20 30 BBEDRO CN1CCO[C@@H](C(=O)N2CCOC[C@@H]2C#N)C1 ZINC000085542616 384529375 /nfs/dbraw/zinc/52/93/75/384529375.db2.gz HWZAQNQZQJFUQI-VHSXEESVSA-N 1 0 239.275 -0.932 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@](C)(CCO)COC ZINC000085902887 641390132 /nfs/dbraw/zinc/39/01/32/641390132.db2.gz TUQNVFFHJKDVIE-LLVKDONJSA-N 1 0 228.292 -0.887 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@](C)(CCO)COC ZINC000085902888 641391211 /nfs/dbraw/zinc/39/12/11/641391211.db2.gz TUQNVFFHJKDVIE-NSHDSACASA-N 1 0 228.292 -0.887 20 30 BBEDRO C#CC[NH2+]CC(=O)NCc1ccccn1 ZINC000086156677 644459493 /nfs/dbraw/zinc/45/94/93/644459493.db2.gz CIASJVMDXOESPL-UHFFFAOYSA-N 1 0 203.245 -0.079 20 30 BBEDRO C#CC[NH2+]CC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000086156773 643932993 /nfs/dbraw/zinc/93/29/93/643932993.db2.gz ZILIJASDESJUPJ-NXEZZACHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+]CC(=O)N1C[C@H](C)OC[C@H]1C ZINC000086156774 643933031 /nfs/dbraw/zinc/93/30/31/643933031.db2.gz ZILIJASDESJUPJ-ZJUUUORDSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+]CC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000086156775 643932312 /nfs/dbraw/zinc/93/23/12/643932312.db2.gz ZILIJASDESJUPJ-VHSXEESVSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+]CC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000086156776 643631769 /nfs/dbraw/zinc/63/17/69/643631769.db2.gz ZILIJASDESJUPJ-UWVGGRQHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+]CC(=O)N1CCO[C@H](CC)C1 ZINC000086156783 643933067 /nfs/dbraw/zinc/93/30/67/643933067.db2.gz SKHBBIKJAVGOFD-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CC[NH2+]CC(=O)N1CCO[C@@H](CC)C1 ZINC000086156784 643932957 /nfs/dbraw/zinc/93/29/57/643932957.db2.gz SKHBBIKJAVGOFD-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CC[NH2+]CC(=O)Nc1ccc(=O)n(C)c1 ZINC000086156874 643932890 /nfs/dbraw/zinc/93/28/90/643932890.db2.gz GLJNHBRYJGNLMF-UHFFFAOYSA-N 1 0 219.244 -0.453 20 30 BBEDRO C#CC[NH2+]CC(=O)NCCCOCCOC ZINC000086157057 636884795 /nfs/dbraw/zinc/88/47/95/636884795.db2.gz UGZROZAABKNUHK-UHFFFAOYSA-N 1 0 228.292 -0.622 20 30 BBEDRO C#CC[NH2+]CC(=O)NCc1cc(C)on1 ZINC000086157173 643934112 /nfs/dbraw/zinc/93/41/12/643934112.db2.gz DDAYFFDUYYLGBC-UHFFFAOYSA-N 1 0 207.233 -0.178 20 30 BBEDRO C#CC[NH2+]CC(=O)NCCC(=O)OCC ZINC000086157194 643934474 /nfs/dbraw/zinc/93/44/74/643934474.db2.gz ROEJZZHNAFBXRY-UHFFFAOYSA-N 1 0 212.249 -0.721 20 30 BBEDRO C#CC[NH2+]CC(=O)NCc1ccnn1C ZINC000086157330 643630618 /nfs/dbraw/zinc/63/06/18/643630618.db2.gz CDADIHPONLNTSW-UHFFFAOYSA-N 1 0 206.249 -0.741 20 30 BBEDRO C#CC[NH2+]CC(=O)NCC1CCOCC1 ZINC000086157364 643933956 /nfs/dbraw/zinc/93/39/56/643933956.db2.gz HNUCXQCGDOZJNL-UHFFFAOYSA-N 1 0 210.277 -0.248 20 30 BBEDRO C#CC[NH2+]CC(=O)NCCOCC(F)(F)F ZINC000086157379 643934513 /nfs/dbraw/zinc/93/45/13/643934513.db2.gz IHLKABOKOVZTPK-UHFFFAOYSA-N 1 0 238.209 -0.096 20 30 BBEDRO COCC[NH2+]CC(=O)N(C)[C@@H](C)CC#N ZINC000086158271 351024972 /nfs/dbraw/zinc/02/49/72/351024972.db2.gz MUYNBVRYPRXSQO-VIFPVBQESA-N 1 0 213.281 -0.017 20 30 BBEDRO COCC[NH2+]CC(=O)N(C)[C@H](C)CC#N ZINC000086158272 351024865 /nfs/dbraw/zinc/02/48/65/351024865.db2.gz MUYNBVRYPRXSQO-SECBINFHSA-N 1 0 213.281 -0.017 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)O ZINC000086274445 166183659 /nfs/dbraw/zinc/18/36/59/166183659.db2.gz RIYYFYRKUJZYQU-VIFPVBQESA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)O ZINC000086274446 166180723 /nfs/dbraw/zinc/18/07/23/166180723.db2.gz RIYYFYRKUJZYQU-SECBINFHSA-N 1 0 212.293 -0.173 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CCO[C@H](CO)C1 ZINC000086831811 166382012 /nfs/dbraw/zinc/38/20/12/166382012.db2.gz UXPAJFLRKOOADM-ZJUUUORDSA-N 1 0 228.292 -0.630 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886350 135100475 /nfs/dbraw/zinc/10/04/75/135100475.db2.gz FBUVCPLEWFUIKK-ZJUUUORDSA-N 1 0 211.309 -0.042 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886353 135100923 /nfs/dbraw/zinc/10/09/23/135100923.db2.gz FBUVCPLEWFUIKK-UWVGGRQHSA-N 1 0 211.309 -0.042 20 30 BBEDRO N#Cc1ccc([C@H](O)C[NH2+]C(CO)CO)cc1 ZINC000087753301 641015598 /nfs/dbraw/zinc/01/55/98/641015598.db2.gz HRSSEVNIODECHI-GFCCVEGCSA-N 1 0 236.271 -0.466 20 30 BBEDRO N#Cc1ccc([C@@H](O)C[NH2+]C(CO)CO)cc1 ZINC000087753303 641013972 /nfs/dbraw/zinc/01/39/72/641013972.db2.gz HRSSEVNIODECHI-LBPRGKRZSA-N 1 0 236.271 -0.466 20 30 BBEDRO C#CCNC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000087781166 644503850 /nfs/dbraw/zinc/50/38/50/644503850.db2.gz GNYQDAJBUFDKQD-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C)(O)CC1 ZINC000087781289 387131150 /nfs/dbraw/zinc/13/11/50/387131150.db2.gz ZIGQFBRXMYGYDP-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C)(O)CC1 ZINC000087781290 387130604 /nfs/dbraw/zinc/13/06/04/387130604.db2.gz ZIGQFBRXMYGYDP-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[NH2+][C@H](C)C1 ZINC000088059978 135514927 /nfs/dbraw/zinc/51/49/27/135514927.db2.gz LSLHXWIXPNQBGA-SECBINFHSA-N 1 0 240.307 -0.708 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[NH2+][C@@H](C)C1 ZINC000088059979 135515216 /nfs/dbraw/zinc/51/52/16/135515216.db2.gz LSLHXWIXPNQBGA-VIFPVBQESA-N 1 0 240.307 -0.708 20 30 BBEDRO C=CCNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287642 343718848 /nfs/dbraw/zinc/71/88/48/343718848.db2.gz JZKNBEGDZYZNER-AOOOYVTPSA-N 1 0 209.293 -0.560 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287652 411263204 /nfs/dbraw/zinc/26/32/04/411263204.db2.gz JZKNBEGDZYZNER-UWVGGRQHSA-N 1 0 209.293 -0.560 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287923 387138372 /nfs/dbraw/zinc/13/83/72/387138372.db2.gz YRLZQYJCHRIANV-GARJFASQSA-N 1 0 223.320 -0.172 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287924 387138074 /nfs/dbraw/zinc/13/80/74/387138074.db2.gz YRLZQYJCHRIANV-MXWKQRLJSA-N 1 0 223.320 -0.172 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287927 356655682 /nfs/dbraw/zinc/65/56/82/356655682.db2.gz YRLZQYJCHRIANV-HBNTYKKESA-N 1 0 223.320 -0.172 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288034 636897370 /nfs/dbraw/zinc/89/73/70/636897370.db2.gz MKUYJLGLNMQJAG-GARJFASQSA-N 1 0 221.304 -0.725 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288036 636896970 /nfs/dbraw/zinc/89/69/70/636896970.db2.gz MKUYJLGLNMQJAG-MXWKQRLJSA-N 1 0 221.304 -0.725 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088288039 636897458 /nfs/dbraw/zinc/89/74/58/636897458.db2.gz MKUYJLGLNMQJAG-HBNTYKKESA-N 1 0 221.304 -0.725 20 30 BBEDRO CN(CC[NH+]1CCCC1)CC(=O)NCC#N ZINC000089899173 360047436 /nfs/dbraw/zinc/04/74/36/360047436.db2.gz UXKSILLGHHIYNN-UHFFFAOYSA-N 1 0 224.308 -0.346 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000089928253 644571878 /nfs/dbraw/zinc/57/18/78/644571878.db2.gz YOKCBOKXERYWSD-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089928254 644572075 /nfs/dbraw/zinc/57/20/75/644572075.db2.gz YOKCBOKXERYWSD-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000089928255 644571279 /nfs/dbraw/zinc/57/12/79/644571279.db2.gz YOKCBOKXERYWSD-QWRGUYRKSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089928256 644570938 /nfs/dbraw/zinc/57/09/38/644570938.db2.gz YOKCBOKXERYWSD-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCN1CC[NH+](CCOCCOC)CC1 ZINC000089945871 644573370 /nfs/dbraw/zinc/57/33/70/644573370.db2.gz FTSSEIUCZLWUJM-UHFFFAOYSA-N 1 0 226.320 -0.100 20 30 BBEDRO C#CC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000090005084 384021785 /nfs/dbraw/zinc/02/17/85/384021785.db2.gz VDLMGDUATGZYMW-UHFFFAOYSA-N 1 0 221.260 -0.364 20 30 BBEDRO NC(=[NH2+])NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000090064812 345564022 /nfs/dbraw/zinc/56/40/22/345564022.db2.gz ZUKMCYAGNXNYQA-IUCAKERBSA-N 1 0 212.297 -0.487 20 30 BBEDRO NC(=[NH2+])NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000090064813 345564145 /nfs/dbraw/zinc/56/41/45/345564145.db2.gz ZUKMCYAGNXNYQA-DTWKUNHWSA-N 1 0 212.297 -0.487 20 30 BBEDRO CNC(=[NH2+])NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000090064845 345563993 /nfs/dbraw/zinc/56/39/93/345563993.db2.gz VFAXGSBQOZVONU-NXEZZACHSA-N 1 0 226.324 -0.226 20 30 BBEDRO CNC(=[NH2+])NC[C@H]1CN2CCCC[C@@H]2CO1 ZINC000090064846 345564211 /nfs/dbraw/zinc/56/42/11/345564211.db2.gz VFAXGSBQOZVONU-ZJUUUORDSA-N 1 0 226.324 -0.226 20 30 BBEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@H](O)CO)cc1 ZINC000090283326 643130681 /nfs/dbraw/zinc/13/06/81/643130681.db2.gz NDVHQZZRSQEFNW-NWDGAFQWSA-N 1 0 236.271 -0.466 20 30 BBEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)CO)cc1 ZINC000090283327 643129644 /nfs/dbraw/zinc/12/96/44/643129644.db2.gz NDVHQZZRSQEFNW-RYUDHWBXSA-N 1 0 236.271 -0.466 20 30 BBEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)CO)cc1 ZINC000090283328 643131653 /nfs/dbraw/zinc/13/16/53/643131653.db2.gz NDVHQZZRSQEFNW-VXGBXAGGSA-N 1 0 236.271 -0.466 20 30 BBEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)CO)cc1 ZINC000090283329 641422713 /nfs/dbraw/zinc/42/27/13/641422713.db2.gz NDVHQZZRSQEFNW-NEPJUHHUSA-N 1 0 236.271 -0.466 20 30 BBEDRO CNC(NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)=[NH+]C ZINC000091517573 644626097 /nfs/dbraw/zinc/62/60/97/644626097.db2.gz DGPKZUUFIHRWHD-DTWKUNHWSA-N 1 0 242.323 -0.583 20 30 BBEDRO CNC(NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)=[NH+]C ZINC000091517576 642353428 /nfs/dbraw/zinc/35/34/28/642353428.db2.gz DGPKZUUFIHRWHD-IUCAKERBSA-N 1 0 242.323 -0.583 20 30 BBEDRO N#CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091670292 644633872 /nfs/dbraw/zinc/63/38/72/644633872.db2.gz AVXIHJNMAHPKQG-NXEZZACHSA-N 1 0 223.276 -0.121 20 30 BBEDRO N#CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091670294 644634838 /nfs/dbraw/zinc/63/48/38/644634838.db2.gz AVXIHJNMAHPKQG-VHSXEESVSA-N 1 0 223.276 -0.121 20 30 BBEDRO N#CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091670298 644633821 /nfs/dbraw/zinc/63/38/21/644633821.db2.gz AVXIHJNMAHPKQG-ZJUUUORDSA-N 1 0 223.276 -0.121 20 30 BBEDRO N#CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091670300 644634824 /nfs/dbraw/zinc/63/48/24/644634824.db2.gz AVXIHJNMAHPKQG-UWVGGRQHSA-N 1 0 223.276 -0.121 20 30 BBEDRO N#CCCCCN1CCOC[C@@H]1C(N)=O ZINC000092228607 384124894 /nfs/dbraw/zinc/12/48/94/384124894.db2.gz GHIOKVSOLVJAMQ-SECBINFHSA-N 1 0 211.265 -0.134 20 30 BBEDRO N#CCCCCN1CCOC[C@H]1C(N)=O ZINC000092228608 384125153 /nfs/dbraw/zinc/12/51/53/384125153.db2.gz GHIOKVSOLVJAMQ-VIFPVBQESA-N 1 0 211.265 -0.134 20 30 BBEDRO N#Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093092825 181127107 /nfs/dbraw/zinc/12/71/07/181127107.db2.gz UNTJUUDWFCLIOE-BETUJISGSA-N 1 0 248.282 -0.026 20 30 BBEDRO C#CC[NH+](CC#C)CCCOC(=O)NC(N)=O ZINC000093177864 384221038 /nfs/dbraw/zinc/22/10/38/384221038.db2.gz JQZFADKKVBDXOL-UHFFFAOYSA-N 1 0 237.259 -0.250 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)CCOCC ZINC000093317561 360229291 /nfs/dbraw/zinc/22/92/91/360229291.db2.gz HMKYGKHZJTUHBX-UHFFFAOYSA-N 1 0 243.307 -0.034 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093342466 343977516 /nfs/dbraw/zinc/97/75/16/343977516.db2.gz JVVOYEOEGNTAQB-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093342467 343977433 /nfs/dbraw/zinc/97/74/33/343977433.db2.gz JVVOYEOEGNTAQB-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000096683552 345688142 /nfs/dbraw/zinc/68/81/42/345688142.db2.gz JFOLLJFDCBUNDC-SNVBAGLBSA-N 1 0 239.319 -0.301 20 30 BBEDRO C=CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000096683553 345688125 /nfs/dbraw/zinc/68/81/25/345688125.db2.gz JFOLLJFDCBUNDC-JTQLQIEISA-N 1 0 239.319 -0.301 20 30 BBEDRO CNC(=O)c1sc(NC(N)=[NH2+])nc1C ZINC000097133320 360361958 /nfs/dbraw/zinc/36/19/58/360361958.db2.gz XQONBQPZAYOQRF-UHFFFAOYSA-N 1 0 213.266 -0.284 20 30 BBEDRO C=CCNC(=O)CN1CCN(CCC[NH3+])CC1 ZINC000098126610 346769897 /nfs/dbraw/zinc/76/98/97/346769897.db2.gz GRXNJGGBSPZYOG-UHFFFAOYSA-N 1 0 240.351 -0.745 20 30 BBEDRO CCCNC(=O)CNC(NC1CC1)=[NH+]C ZINC000103337565 592579216 /nfs/dbraw/zinc/57/92/16/592579216.db2.gz UXLUKSONJKMOMC-UHFFFAOYSA-N 1 0 212.297 -0.160 20 30 BBEDRO C[NH+]=C(NCC(=O)NC1CC1)NC1CC1 ZINC000103337665 134158424 /nfs/dbraw/zinc/15/84/24/134158424.db2.gz YVGWZLJKFLLUPZ-UHFFFAOYSA-N 1 0 210.281 -0.408 20 30 BBEDRO C[NH+]=C(NCCN(C)CCOC)NC1CC1 ZINC000103338619 582786484 /nfs/dbraw/zinc/78/64/84/582786484.db2.gz ZMPGWVDSYMPADC-UHFFFAOYSA-N 1 0 228.340 -0.108 20 30 BBEDRO CCNC(=[NH2+])NCCCN1CCCC1=O ZINC000104152489 592601622 /nfs/dbraw/zinc/60/16/22/592601622.db2.gz GEDFNQJNMUOORL-UHFFFAOYSA-N 1 0 212.297 -0.077 20 30 BBEDRO CCOC(=O)CCCNC(=[NH2+])N1CCOCC1 ZINC000104153519 583111736 /nfs/dbraw/zinc/11/17/36/583111736.db2.gz IKCYEWMGIZMCAL-UHFFFAOYSA-N 1 0 243.307 -0.023 20 30 BBEDRO C#CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000104156200 487969772 /nfs/dbraw/zinc/96/97/72/487969772.db2.gz STBFBOAKPSQEME-UHFFFAOYSA-N 1 0 224.308 -0.754 20 30 BBEDRO CCN(CC)C(=[NH2+])NCC(=O)NC1CC1 ZINC000104157290 592602853 /nfs/dbraw/zinc/60/28/53/592602853.db2.gz KFEWZSVIFSCJOS-UHFFFAOYSA-N 1 0 212.297 -0.079 20 30 BBEDRO Cn1nccc1CNC(=[NH2+])N1CCOCC1 ZINC000104171956 384808096 /nfs/dbraw/zinc/80/80/96/384808096.db2.gz ZRXAHWGQEYRJFT-UHFFFAOYSA-N 1 0 223.280 -0.433 20 30 BBEDRO CN(C)C(=[NH+]CC(C)(C)C(N)=O)N(C)C ZINC000104175600 592603515 /nfs/dbraw/zinc/60/35/15/592603515.db2.gz ATNMBXIFKIAOCR-UHFFFAOYSA-N 1 0 214.313 -0.023 20 30 BBEDRO CCCNC(=O)CCNC(=[NH2+])N[C@@H](C)COC ZINC000104177758 592603533 /nfs/dbraw/zinc/60/35/33/592603533.db2.gz ALOOWBGJEHABBI-VIFPVBQESA-N 1 0 244.339 -0.158 20 30 BBEDRO CCCNC(=O)CCNC(=[NH2+])N[C@H](C)COC ZINC000104177762 592603328 /nfs/dbraw/zinc/60/33/28/592603328.db2.gz ALOOWBGJEHABBI-SECBINFHSA-N 1 0 244.339 -0.158 20 30 BBEDRO COC(=O)CCCCNC(=[NH2+])N1CCOCC1 ZINC000104181396 592603497 /nfs/dbraw/zinc/60/34/97/592603497.db2.gz MPAPUAHKNULZLK-UHFFFAOYSA-N 1 0 243.307 -0.023 20 30 BBEDRO CCS(=O)(=O)CCNC(=[NH2+])NC(C)C ZINC000104193620 583335981 /nfs/dbraw/zinc/33/59/81/583335981.db2.gz CAHLHSJJZNERFB-UHFFFAOYSA-N 1 0 221.326 -0.266 20 30 BBEDRO C#CCN1CC[NH+](C[C@@H](O)COCC)CC1 ZINC000105894494 588229343 /nfs/dbraw/zinc/22/93/43/588229343.db2.gz GEGGXISPZUPSLA-GFCCVEGCSA-N 1 0 226.320 -0.365 20 30 BBEDRO C#CCN1CC[NH+](C[C@H](O)COCC)CC1 ZINC000105894495 588229336 /nfs/dbraw/zinc/22/93/36/588229336.db2.gz GEGGXISPZUPSLA-LBPRGKRZSA-N 1 0 226.320 -0.365 20 30 BBEDRO C#CCNC(=O)CN(C)Cc1nccn1C ZINC000105968510 588236203 /nfs/dbraw/zinc/23/62/03/588236203.db2.gz GNLFIJLYEUJCOO-UHFFFAOYSA-N 1 0 220.276 -0.399 20 30 BBEDRO C=C(C)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000106252957 384834866 /nfs/dbraw/zinc/83/48/66/384834866.db2.gz KGOKHZWFKUONIZ-UHFFFAOYSA-N 1 0 233.337 -0.180 20 30 BBEDRO NC(=O)CON=C(N)C[NH+]1CCCCCC1 ZINC000106437626 588279884 /nfs/dbraw/zinc/27/98/84/588279884.db2.gz VJHXZFLHTUIRGV-UHFFFAOYSA-N 1 0 228.296 -0.364 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000106444046 385118108 /nfs/dbraw/zinc/11/81/08/385118108.db2.gz IXFJQIQTRUJNRC-VIFPVBQESA-N 1 0 227.308 -0.222 20 30 BBEDRO C#CCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106511943 355777533 /nfs/dbraw/zinc/77/75/33/355777533.db2.gz OQTZXOQIEAYNHR-NSHDSACASA-N 1 0 238.335 -0.445 20 30 BBEDRO C#CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106511944 355777640 /nfs/dbraw/zinc/77/76/40/355777640.db2.gz OQTZXOQIEAYNHR-LLVKDONJSA-N 1 0 238.335 -0.445 20 30 BBEDRO C=CC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107301675 136218446 /nfs/dbraw/zinc/21/84/46/136218446.db2.gz HQGBFHNCJXONPD-SECBINFHSA-N 1 0 233.337 -0.323 20 30 BBEDRO C=CC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000107301678 136218417 /nfs/dbraw/zinc/21/84/17/136218417.db2.gz HQGBFHNCJXONPD-VIFPVBQESA-N 1 0 233.337 -0.323 20 30 BBEDRO C#CCNC(=O)CN1CCC([NH+](C)C)CC1 ZINC000107811675 635486574 /nfs/dbraw/zinc/48/65/74/635486574.db2.gz JHARDKPCLVVPPM-UHFFFAOYSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000107821311 355831047 /nfs/dbraw/zinc/83/10/47/355831047.db2.gz ZZVUYWVDCHLSSF-UWVGGRQHSA-N 1 0 238.287 -0.381 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000107821317 355830575 /nfs/dbraw/zinc/83/05/75/355830575.db2.gz ZZVUYWVDCHLSSF-ZJUUUORDSA-N 1 0 238.287 -0.381 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000107822649 385213581 /nfs/dbraw/zinc/21/35/81/385213581.db2.gz KMRQRJSIZOCQKS-SECBINFHSA-N 1 0 226.276 -0.217 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000107822653 385213555 /nfs/dbraw/zinc/21/35/55/385213555.db2.gz KMRQRJSIZOCQKS-VIFPVBQESA-N 1 0 226.276 -0.217 20 30 BBEDRO CCOCC[N@H+](CC)CC(=O)NCC#N ZINC000108868237 347209300 /nfs/dbraw/zinc/20/93/00/347209300.db2.gz JUDUWIMZUZIKIW-UHFFFAOYSA-N 1 0 213.281 -0.015 20 30 BBEDRO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCOC1 ZINC000108868263 385101300 /nfs/dbraw/zinc/10/13/00/385101300.db2.gz JZMPEAHPYLBGLW-JTQLQIEISA-N 1 0 225.292 -0.015 20 30 BBEDRO C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCOC1 ZINC000108868265 385101726 /nfs/dbraw/zinc/10/17/26/385101726.db2.gz JZMPEAHPYLBGLW-SNVBAGLBSA-N 1 0 225.292 -0.015 20 30 BBEDRO CC(C)(C)[C@H]([NH2+]CC(=O)NCC#N)C(N)=O ZINC000109330631 344525281 /nfs/dbraw/zinc/52/52/81/344525281.db2.gz KOEGLRGPPSOROH-MRVPVSSYSA-N 1 0 226.280 -0.884 20 30 BBEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)NCC#N)C(N)=O ZINC000109330633 385280740 /nfs/dbraw/zinc/28/07/40/385280740.db2.gz KOEGLRGPPSOROH-QMMMGPOBSA-N 1 0 226.280 -0.884 20 30 BBEDRO C[NH+](C)[C@@H]1CCCN(CC(=O)NCC#N)C1 ZINC000109809597 136215450 /nfs/dbraw/zinc/21/54/50/136215450.db2.gz DCUPYSQEKXGDGZ-SNVBAGLBSA-N 1 0 224.308 -0.348 20 30 BBEDRO C[NH+](C)[C@H]1CCCN(CC(=O)NCC#N)C1 ZINC000109809600 536136524 /nfs/dbraw/zinc/13/65/24/536136524.db2.gz DCUPYSQEKXGDGZ-JTQLQIEISA-N 1 0 224.308 -0.348 20 30 BBEDRO CNC(=O)CON=C(N)C[NH+]1CCCCCC1 ZINC000111178592 588727750 /nfs/dbraw/zinc/72/77/50/588727750.db2.gz CLSQRTKQHMPPPU-UHFFFAOYSA-N 1 0 242.323 -0.103 20 30 BBEDRO CNC(=O)CON=C(N)C[N@@H+]1CCCC[C@H]1C ZINC000111179032 588727704 /nfs/dbraw/zinc/72/77/04/588727704.db2.gz UIFSKDLJLSKZHW-SECBINFHSA-N 1 0 242.323 -0.104 20 30 BBEDRO CNC(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C ZINC000111179034 588727545 /nfs/dbraw/zinc/72/75/45/588727545.db2.gz UIFSKDLJLSKZHW-VIFPVBQESA-N 1 0 242.323 -0.104 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000111263619 166366772 /nfs/dbraw/zinc/36/67/72/166366772.db2.gz RXDBHKRZKOAHLN-SNVBAGLBSA-N 1 0 239.319 -0.253 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000111263620 166366869 /nfs/dbraw/zinc/36/68/69/166366869.db2.gz RXDBHKRZKOAHLN-JTQLQIEISA-N 1 0 239.319 -0.253 20 30 BBEDRO C#CCNC(=O)CN1CCCO[C@H](C)C1 ZINC000112336954 588794527 /nfs/dbraw/zinc/79/45/27/588794527.db2.gz LGIIBIGIMUUYRG-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CN1CCCO[C@@H](C)C1 ZINC000112336956 588794546 /nfs/dbraw/zinc/79/45/46/588794546.db2.gz LGIIBIGIMUUYRG-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000112703517 588813124 /nfs/dbraw/zinc/81/31/24/588813124.db2.gz ZHYOVUKFNZRHNV-ZJUUUORDSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000112703518 588813131 /nfs/dbraw/zinc/81/31/31/588813131.db2.gz ZHYOVUKFNZRHNV-UWVGGRQHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000112703519 588813023 /nfs/dbraw/zinc/81/30/23/588813023.db2.gz ZHYOVUKFNZRHNV-NXEZZACHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000112703521 588813038 /nfs/dbraw/zinc/81/30/38/588813038.db2.gz ZHYOVUKFNZRHNV-VHSXEESVSA-N 1 0 237.303 -0.678 20 30 BBEDRO COC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000112989170 536754377 /nfs/dbraw/zinc/75/43/77/536754377.db2.gz KCLKXSTUIZJRST-SNVBAGLBSA-N 1 0 225.292 -0.015 20 30 BBEDRO COC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000112989172 536521136 /nfs/dbraw/zinc/52/11/36/536521136.db2.gz KCLKXSTUIZJRST-JTQLQIEISA-N 1 0 225.292 -0.015 20 30 BBEDRO C#CCN1CCN(CN2CCCC2=O)CC1 ZINC000113239368 353157583 /nfs/dbraw/zinc/15/75/83/353157583.db2.gz UQVXMEIGZURTBL-UHFFFAOYSA-N 1 0 221.304 -0.183 20 30 BBEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCC#N ZINC000113270111 136216500 /nfs/dbraw/zinc/21/65/00/136216500.db2.gz XLCKGUQCPFDJTQ-GHMZBOCLSA-N 1 0 236.319 -0.205 20 30 BBEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCC#N ZINC000113270113 136216419 /nfs/dbraw/zinc/21/64/19/136216419.db2.gz XLCKGUQCPFDJTQ-WDEREUQCSA-N 1 0 236.319 -0.205 20 30 BBEDRO COC(=O)CC[N@H+](CC(=O)NCC#N)C(C)C ZINC000113507837 355243740 /nfs/dbraw/zinc/24/37/40/355243740.db2.gz KNXSMOHOQUXYHT-UHFFFAOYSA-N 1 0 241.291 -0.100 20 30 BBEDRO C#CCNC(=O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000113515445 583109020 /nfs/dbraw/zinc/10/90/20/583109020.db2.gz AQOSLZYEQFKMFS-LLVKDONJSA-N 1 0 223.320 -0.381 20 30 BBEDRO CN(C)C(=O)C1(CNC(N)=[NH2+])CCCC1 ZINC000113700322 134161289 /nfs/dbraw/zinc/16/12/89/134161289.db2.gz XPXJPCXPXWSISF-UHFFFAOYSA-N 1 0 212.297 -0.092 20 30 BBEDRO C#CCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000114076532 323192960 /nfs/dbraw/zinc/19/29/60/323192960.db2.gz XXLQCIWRNOETNH-GFCCVEGCSA-N 1 0 235.331 -0.142 20 30 BBEDRO C#CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000114076534 323192953 /nfs/dbraw/zinc/19/29/53/323192953.db2.gz XXLQCIWRNOETNH-LBPRGKRZSA-N 1 0 235.331 -0.142 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](O)C1 ZINC000114470287 134161723 /nfs/dbraw/zinc/16/17/23/134161723.db2.gz SFZFLGRARXGFKG-IUCAKERBSA-N 1 0 241.291 -0.547 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](O)C1 ZINC000114470289 534862099 /nfs/dbraw/zinc/86/20/99/534862099.db2.gz SFZFLGRARXGFKG-BDAKNGLRSA-N 1 0 241.291 -0.547 20 30 BBEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](O)C1 ZINC000114470319 134182898 /nfs/dbraw/zinc/18/28/98/134182898.db2.gz MMJRRYCMRIDECH-UWVGGRQHSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](O)C1 ZINC000114470321 134182846 /nfs/dbraw/zinc/18/28/46/134182846.db2.gz MMJRRYCMRIDECH-ZJUUUORDSA-N 1 0 225.292 -0.186 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC000114485988 134161717 /nfs/dbraw/zinc/16/17/17/134161717.db2.gz SFZFLGRARXGFKG-DTWKUNHWSA-N 1 0 241.291 -0.547 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC000114485990 534862335 /nfs/dbraw/zinc/86/23/35/534862335.db2.gz SFZFLGRARXGFKG-RKDXNWHRSA-N 1 0 241.291 -0.547 20 30 BBEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](O)C1 ZINC000114486018 134183240 /nfs/dbraw/zinc/18/32/40/134183240.db2.gz MMJRRYCMRIDECH-VHSXEESVSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](O)C1 ZINC000114486020 134183204 /nfs/dbraw/zinc/18/32/04/134183204.db2.gz MMJRRYCMRIDECH-NXEZZACHSA-N 1 0 225.292 -0.186 20 30 BBEDRO COCCNC(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000115927399 588938212 /nfs/dbraw/zinc/93/82/12/588938212.db2.gz YNJHTXOZPJYJCY-JTQLQIEISA-N 1 0 245.323 -0.267 20 30 BBEDRO COCCNC(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000115927401 588938202 /nfs/dbraw/zinc/93/82/02/588938202.db2.gz YNJHTXOZPJYJCY-SNVBAGLBSA-N 1 0 245.323 -0.267 20 30 BBEDRO CNC(NCCOC[C@@H]1CCCO1)=[NH+]C ZINC000115927403 588938231 /nfs/dbraw/zinc/93/82/31/588938231.db2.gz HYYUIHVUJPGWNG-VIFPVBQESA-N 1 0 215.297 -0.023 20 30 BBEDRO CNC(NCCOC[C@H]1CCCO1)=[NH+]C ZINC000115927405 588937551 /nfs/dbraw/zinc/93/75/51/588937551.db2.gz HYYUIHVUJPGWNG-SECBINFHSA-N 1 0 215.297 -0.023 20 30 BBEDRO COCCNC(=[NH2+])NCCn1cc(C)cn1 ZINC000118161307 344779165 /nfs/dbraw/zinc/77/91/65/344779165.db2.gz QEKBLGKKFZTXOA-UHFFFAOYSA-N 1 0 225.296 -0.258 20 30 BBEDRO CN(CC(=O)NCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000118843115 134223452 /nfs/dbraw/zinc/22/34/52/134223452.db2.gz SOURHPSUDCPTBI-NSHDSACASA-N 1 0 238.335 -0.100 20 30 BBEDRO CN(CC(=O)NCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843117 134223414 /nfs/dbraw/zinc/22/34/14/134223414.db2.gz SOURHPSUDCPTBI-LLVKDONJSA-N 1 0 238.335 -0.100 20 30 BBEDRO N#CCNC(=O)C[N@@H+](CCCCO)C1CC1 ZINC000118844656 134223250 /nfs/dbraw/zinc/22/32/50/134223250.db2.gz CZHZZXLGLHMNBF-UHFFFAOYSA-N 1 0 225.292 -0.137 20 30 BBEDRO C#CCNC(=O)NCCC[N@@H+](C)CCOC ZINC000119295779 398336244 /nfs/dbraw/zinc/33/62/44/398336244.db2.gz LCEAFAUBJYFACB-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO C[N@H+](CCO)CCCc1[nH]nc(N)c1C#N ZINC000119858836 398195026 /nfs/dbraw/zinc/19/50/26/398195026.db2.gz VGVBPMSMTPQQLQ-UHFFFAOYSA-N 1 0 223.280 -0.280 20 30 BBEDRO CN(CC(=O)NCC#N)C1(C(N)=O)CCCC1 ZINC000120109024 136292358 /nfs/dbraw/zinc/29/23/58/136292358.db2.gz YAILLGAFNKSBEC-UHFFFAOYSA-N 1 0 238.291 -0.644 20 30 BBEDRO CN(C)c1ccc(C(N)=[NH+]OCC(N)=O)cc1 ZINC000120377134 344888631 /nfs/dbraw/zinc/88/86/31/344888631.db2.gz CZVIMLOLUAKLTO-UHFFFAOYSA-N 1 0 236.275 -0.125 20 30 BBEDRO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCO ZINC000120431748 134229382 /nfs/dbraw/zinc/22/93/82/134229382.db2.gz MITGVWXNJNLFNZ-VIFPVBQESA-N 1 0 213.281 -0.329 20 30 BBEDRO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCO ZINC000120431897 134229289 /nfs/dbraw/zinc/22/92/89/134229289.db2.gz MITGVWXNJNLFNZ-SECBINFHSA-N 1 0 213.281 -0.329 20 30 BBEDRO C#CCN1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120524136 134229954 /nfs/dbraw/zinc/22/99/54/134229954.db2.gz VMZCNWCYNPLDMA-JTQLQIEISA-N 1 0 228.317 -0.224 20 30 BBEDRO C#CCN1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000120524266 134229942 /nfs/dbraw/zinc/22/99/42/134229942.db2.gz VMZCNWCYNPLDMA-SNVBAGLBSA-N 1 0 228.317 -0.224 20 30 BBEDRO C=CCCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000121143516 134231825 /nfs/dbraw/zinc/23/18/25/134231825.db2.gz USARJJNXMXWRNQ-UHFFFAOYSA-N 1 0 239.319 -0.157 20 30 BBEDRO C=CCCCN(C)C(=O)CNC(=O)C[NH3+] ZINC000121350919 349861451 /nfs/dbraw/zinc/86/14/51/349861451.db2.gz XYBPXJWRTUSMLK-UHFFFAOYSA-N 1 0 213.281 -0.514 20 30 BBEDRO NC(=O)c1cccc(CON=C(N)CCO)c1 ZINC000121375884 344922635 /nfs/dbraw/zinc/92/26/35/344922635.db2.gz YTIUYASCMRQXSP-UHFFFAOYSA-N 1 0 237.259 -0.043 20 30 BBEDRO Cn1cccc1C(O)=CONC(=[NH2+])CCO ZINC000121418558 488062518 /nfs/dbraw/zinc/06/25/18/488062518.db2.gz PAHKEPRWUFZJRL-UHFFFAOYSA-N 1 0 225.248 -0.121 20 30 BBEDRO C=CC[N@@H+](C)CCC(=O)NCC(=O)OC ZINC000121453931 135223771 /nfs/dbraw/zinc/22/37/71/135223771.db2.gz LNYGZFKAPZITGT-UHFFFAOYSA-N 1 0 214.265 -0.217 20 30 BBEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NCC(=O)OC ZINC000121566014 135224630 /nfs/dbraw/zinc/22/46/30/135224630.db2.gz BAKJTEFVLAXNPH-QMMMGPOBSA-N 1 0 214.265 -0.218 20 30 BBEDRO C=CC[N@@H+](C)[C@H](C)C(=O)NCC(=O)OC ZINC000121566178 534817388 /nfs/dbraw/zinc/81/73/88/534817388.db2.gz BAKJTEFVLAXNPH-MRVPVSSYSA-N 1 0 214.265 -0.218 20 30 BBEDRO C#CC[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121729803 324020782 /nfs/dbraw/zinc/02/07/82/324020782.db2.gz VFCUCWQYVHTRKI-UHFFFAOYSA-N 1 0 230.333 -0.025 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000122346087 134238792 /nfs/dbraw/zinc/23/87/92/134238792.db2.gz CEANKMVWTGOTDQ-NXEZZACHSA-N 1 0 211.309 -0.042 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122346315 135227277 /nfs/dbraw/zinc/22/72/77/135227277.db2.gz CEANKMVWTGOTDQ-VHSXEESVSA-N 1 0 211.309 -0.042 20 30 BBEDRO C=CCNC(=O)CN1C[C@H](C[NH3+])C[C@H]1C ZINC000122346485 534856902 /nfs/dbraw/zinc/85/69/02/534856902.db2.gz CEANKMVWTGOTDQ-ZJUUUORDSA-N 1 0 211.309 -0.042 20 30 BBEDRO C=CCNC(=O)CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000122346690 534856925 /nfs/dbraw/zinc/85/69/25/534856925.db2.gz CEANKMVWTGOTDQ-UWVGGRQHSA-N 1 0 211.309 -0.042 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000122381564 536300962 /nfs/dbraw/zinc/30/09/62/536300962.db2.gz XSHNMZJYZRSADY-VIFPVBQESA-N 1 0 246.336 -0.500 20 30 BBEDRO C=CC[C@H](C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000122413652 490138134 /nfs/dbraw/zinc/13/81/34/490138134.db2.gz HKNJVRIOFLGBRV-QMMMGPOBSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CC[C@@H](C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000122413891 490138198 /nfs/dbraw/zinc/13/81/98/490138198.db2.gz HKNJVRIOFLGBRV-MRVPVSSYSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CC[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000122427084 487621964 /nfs/dbraw/zinc/62/19/64/487621964.db2.gz MILRVSMTLWILFS-JTQLQIEISA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CC[C@@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000122427292 411432508 /nfs/dbraw/zinc/43/25/08/411432508.db2.gz MILRVSMTLWILFS-SNVBAGLBSA-N 1 0 211.309 -0.028 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCC(=O)NCCOC ZINC000122462499 589592034 /nfs/dbraw/zinc/59/20/34/589592034.db2.gz ATWUIWRWPIACFD-MRVPVSSYSA-N 1 0 230.312 -0.548 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCC(=O)NCCOC ZINC000122462711 589592227 /nfs/dbraw/zinc/59/22/27/589592227.db2.gz ATWUIWRWPIACFD-QMMMGPOBSA-N 1 0 230.312 -0.548 20 30 BBEDRO C=CC[C@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000122618127 633820043 /nfs/dbraw/zinc/82/00/43/633820043.db2.gz RWDQNIAYWVOKRW-VIFPVBQESA-N 1 0 233.337 -0.309 20 30 BBEDRO C=CC[C@@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000122618334 635478178 /nfs/dbraw/zinc/47/81/78/635478178.db2.gz RWDQNIAYWVOKRW-SECBINFHSA-N 1 0 233.337 -0.309 20 30 BBEDRO C[NH2+][C@@H]1CCN(S(=O)(=O)N(C)CCC#N)C1 ZINC000122769104 324057247 /nfs/dbraw/zinc/05/72/47/324057247.db2.gz HAWFRTFRFQWBGN-SECBINFHSA-N 1 0 246.336 -0.630 20 30 BBEDRO C[NH2+][C@H]1CCN(S(=O)(=O)N(C)CCC#N)C1 ZINC000122769309 324057361 /nfs/dbraw/zinc/05/73/61/324057361.db2.gz HAWFRTFRFQWBGN-VIFPVBQESA-N 1 0 246.336 -0.630 20 30 BBEDRO C[NH2+]CCCNS(=O)(=O)N(C)CCC#N ZINC000122981499 134241862 /nfs/dbraw/zinc/24/18/62/134241862.db2.gz QJFBFJSUXNAPBD-UHFFFAOYSA-N 1 0 234.325 -0.724 20 30 BBEDRO C=CCCS(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000123194103 411438763 /nfs/dbraw/zinc/43/87/63/411438763.db2.gz IQXDRZYEAMDFPF-MRVPVSSYSA-N 1 0 204.295 -0.156 20 30 BBEDRO C=CCCS(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000123194315 135460496 /nfs/dbraw/zinc/46/04/96/135460496.db2.gz IQXDRZYEAMDFPF-QMMMGPOBSA-N 1 0 204.295 -0.156 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[C@@H]([NH2+]C)C1 ZINC000123204778 386543910 /nfs/dbraw/zinc/54/39/10/386543910.db2.gz UCTPHYZHYNJATK-SECBINFHSA-N 1 0 240.307 -0.708 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H]([NH2+]C)C1 ZINC000123204981 386544739 /nfs/dbraw/zinc/54/47/39/386544739.db2.gz UCTPHYZHYNJATK-VIFPVBQESA-N 1 0 240.307 -0.708 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N(C)CC(=O)NC1CC1 ZINC000123228756 166382487 /nfs/dbraw/zinc/38/24/87/166382487.db2.gz HEVNZOIYRBLOKK-SECBINFHSA-N 1 0 239.319 -0.113 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1CCC[C@@H]1C[NH3+] ZINC000123432191 386555505 /nfs/dbraw/zinc/55/55/05/386555505.db2.gz XIJNSXQFACSJAY-SECBINFHSA-N 1 0 240.307 -0.579 20 30 BBEDRO C#CCNC(=O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000123581030 589754850 /nfs/dbraw/zinc/75/48/50/589754850.db2.gz SOKQNLOPPQXHJZ-PHIMTYICSA-N 1 0 223.320 -0.240 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000123820431 411169182 /nfs/dbraw/zinc/16/91/82/411169182.db2.gz UETLEXFLBGTTRK-DCAQKATOSA-N 1 0 241.335 -0.275 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000123820679 411169734 /nfs/dbraw/zinc/16/97/34/411169734.db2.gz UETLEXFLBGTTRK-VWYCJHECSA-N 1 0 241.335 -0.275 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000123820906 410302073 /nfs/dbraw/zinc/30/20/73/410302073.db2.gz UETLEXFLBGTTRK-GARJFASQSA-N 1 0 241.335 -0.275 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000123821122 411169457 /nfs/dbraw/zinc/16/94/57/411169457.db2.gz UETLEXFLBGTTRK-OUAUKWLOSA-N 1 0 241.335 -0.275 20 30 BBEDRO C=CC[N@H+](CCO)CCN1CCOCC1 ZINC000124068092 350680501 /nfs/dbraw/zinc/68/05/01/350680501.db2.gz BLWJYILQQWJMHA-UHFFFAOYSA-N 1 0 214.309 -0.201 20 30 BBEDRO C[NH2+]C[C@H](C)CNS(=O)(=O)N(C)CCC#N ZINC000124095514 324609427 /nfs/dbraw/zinc/60/94/27/324609427.db2.gz NMPLCTDLUPECRN-VIFPVBQESA-N 1 0 248.352 -0.478 20 30 BBEDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)N(C)CCC#N ZINC000124095716 384616021 /nfs/dbraw/zinc/61/60/21/384616021.db2.gz NMPLCTDLUPECRN-SECBINFHSA-N 1 0 248.352 -0.478 20 30 BBEDRO C[N@H+](CCCn1ccnc1)CC(=O)NCC#N ZINC000124256896 358514638 /nfs/dbraw/zinc/51/46/38/358514638.db2.gz AOSFPEGUVNJQJA-UHFFFAOYSA-N 1 0 235.291 -0.155 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124664647 386658968 /nfs/dbraw/zinc/65/89/68/386658968.db2.gz RPMFELZGRTVTCE-CMPLNLGQSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124664865 386658129 /nfs/dbraw/zinc/65/81/29/386658129.db2.gz RPMFELZGRTVTCE-ZYHUDNBSSA-N 1 0 224.304 -0.029 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NCC(C)(C)[NH3+] ZINC000124702873 350712614 /nfs/dbraw/zinc/71/26/14/350712614.db2.gz WZKZALZGYNTVEM-UHFFFAOYSA-N 1 0 234.325 -0.596 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000124772579 590085000 /nfs/dbraw/zinc/08/50/00/590085000.db2.gz VXXDPLUCIHFJLU-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)C(C)(C)CO ZINC000124816053 371239665 /nfs/dbraw/zinc/23/96/65/371239665.db2.gz HJVKHQUFMITCQQ-UHFFFAOYSA-N 1 0 200.282 -0.009 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000124846041 371242170 /nfs/dbraw/zinc/24/21/70/371242170.db2.gz BOQDQQHJOQQCCW-SNVBAGLBSA-N 1 0 225.292 -0.137 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCCCC[C@H]1CO ZINC000124846173 371242190 /nfs/dbraw/zinc/24/21/90/371242190.db2.gz BOQDQQHJOQQCCW-JTQLQIEISA-N 1 0 225.292 -0.137 20 30 BBEDRO C=CC1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000124869409 386671630 /nfs/dbraw/zinc/67/16/30/386671630.db2.gz YDDQRYMQDLDXAM-UHFFFAOYSA-N 1 0 225.292 -0.514 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)CCC[NH2+]C ZINC000124959412 358530429 /nfs/dbraw/zinc/53/04/29/358530429.db2.gz RRWUCSCAHPFQCE-UHFFFAOYSA-N 1 0 242.323 -0.461 20 30 BBEDRO C=CCCS(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000125060783 411343790 /nfs/dbraw/zinc/34/37/90/411343790.db2.gz BJCVLRNWUXDJIH-UWVGGRQHSA-N 1 0 248.348 -0.060 20 30 BBEDRO C=CCCS(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000125060956 411343492 /nfs/dbraw/zinc/34/34/92/411343492.db2.gz BJCVLRNWUXDJIH-ZJUUUORDSA-N 1 0 248.348 -0.060 20 30 BBEDRO C=CCCS(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000125061204 411343739 /nfs/dbraw/zinc/34/37/39/411343739.db2.gz BJCVLRNWUXDJIH-VHSXEESVSA-N 1 0 248.348 -0.060 20 30 BBEDRO C=CCCS(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000125061410 411343499 /nfs/dbraw/zinc/34/34/99/411343499.db2.gz BJCVLRNWUXDJIH-NXEZZACHSA-N 1 0 248.348 -0.060 20 30 BBEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000125083804 386753723 /nfs/dbraw/zinc/75/37/23/386753723.db2.gz DPJNDVBJYVXJBB-QMMMGPOBSA-N 1 0 204.295 -0.075 20 30 BBEDRO C[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1CO ZINC000125165534 386231534 /nfs/dbraw/zinc/23/15/34/386231534.db2.gz SDPPZUVQRIUOOQ-NXEZZACHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1CO ZINC000125165762 386231784 /nfs/dbraw/zinc/23/17/84/386231784.db2.gz SDPPZUVQRIUOOQ-VHSXEESVSA-N 1 0 225.292 -0.281 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125385361 388670489 /nfs/dbraw/zinc/67/04/89/388670489.db2.gz DPDXWXICOUEQIZ-YFKTTZPYSA-N 1 0 236.315 -0.173 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125385502 634465824 /nfs/dbraw/zinc/46/58/24/634465824.db2.gz DPDXWXICOUEQIZ-KXNHARMFSA-N 1 0 236.315 -0.173 20 30 BBEDRO CC#CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000125685750 411395385 /nfs/dbraw/zinc/39/53/85/411395385.db2.gz PEABVLALOPQIPU-LBPRGKRZSA-N 1 0 226.320 -0.318 20 30 BBEDRO CC#CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000125685974 410318731 /nfs/dbraw/zinc/31/87/31/410318731.db2.gz PEABVLALOPQIPU-GFCCVEGCSA-N 1 0 226.320 -0.318 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1CCc2n[nH]cc2C1 ZINC000125826809 353195155 /nfs/dbraw/zinc/19/51/55/353195155.db2.gz YFHQUWITKIDLHX-SECBINFHSA-N 1 0 232.287 -0.094 20 30 BBEDRO CNC(=O)CNC(=[NH2+])N1CCCCCC1 ZINC000125892772 590196364 /nfs/dbraw/zinc/19/63/64/590196364.db2.gz KNZZDDJWXSBQEC-UHFFFAOYSA-N 1 0 212.297 -0.077 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)CC ZINC000126608855 635868461 /nfs/dbraw/zinc/86/84/61/635868461.db2.gz HGMRDCNVCCOXEF-WPRPVWTQSA-N 1 0 227.308 -0.222 20 30 BBEDRO C=CCNC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000126751148 384801159 /nfs/dbraw/zinc/80/11/59/384801159.db2.gz WRAGNIIIAFXFRN-JTQLQIEISA-N 1 0 211.309 -0.042 20 30 BBEDRO C=CCNC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000126751402 133641362 /nfs/dbraw/zinc/64/13/62/133641362.db2.gz WRAGNIIIAFXFRN-SNVBAGLBSA-N 1 0 211.309 -0.042 20 30 BBEDRO C[N@@H+]1CCO[C@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 ZINC000127200498 719376768 /nfs/dbraw/zinc/37/67/68/719376768.db2.gz BVSHVCRCAVTOLU-QWRGUYRKSA-N 1 0 245.286 -0.133 20 30 BBEDRO C[N@@H+]1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 ZINC000127200749 719376586 /nfs/dbraw/zinc/37/65/86/719376586.db2.gz BVSHVCRCAVTOLU-WDEREUQCSA-N 1 0 245.286 -0.133 20 30 BBEDRO C#CCCN1CCN([C@@H](CC)C(N)=O)CC1 ZINC000127316181 353265262 /nfs/dbraw/zinc/26/52/62/353265262.db2.gz YJWJPAUPYGQPTN-NSHDSACASA-N 1 0 223.320 -0.109 20 30 BBEDRO C#CCCN1CCN([C@H](CC)C(N)=O)CC1 ZINC000127316432 353265358 /nfs/dbraw/zinc/26/53/58/353265358.db2.gz YJWJPAUPYGQPTN-LLVKDONJSA-N 1 0 223.320 -0.109 20 30 BBEDRO C#CCC[NH+]1CCN(CC(=O)OC)CC1 ZINC000127317801 353264530 /nfs/dbraw/zinc/26/45/30/353264530.db2.gz HREYNYWKHLNXAF-UHFFFAOYSA-N 1 0 210.277 -0.200 20 30 BBEDRO C=CCNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000127850238 384952671 /nfs/dbraw/zinc/95/26/71/384952671.db2.gz YAKFTUGBAIGRBI-UHFFFAOYSA-N 1 0 238.251 -0.118 20 30 BBEDRO CNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000127850716 384952196 /nfs/dbraw/zinc/95/21/96/384952196.db2.gz BTUHXRWXRUAXPS-UHFFFAOYSA-N 1 0 212.213 -0.675 20 30 BBEDRO C=CCC[C@@H](O)CN1C[C@H](O)C[C@H]1C(=O)OC ZINC000128398565 353289192 /nfs/dbraw/zinc/28/91/92/353289192.db2.gz WPJWSLDIQIULNG-MXWKQRLJSA-N 1 0 243.303 -0.078 20 30 BBEDRO C=CCC[C@H](O)CN1C[C@H](O)C[C@H]1C(=O)OC ZINC000128398757 353288626 /nfs/dbraw/zinc/28/86/26/353288626.db2.gz WPJWSLDIQIULNG-AXFHLTTASA-N 1 0 243.303 -0.078 20 30 BBEDRO C[C@H](O)CC[N@H+](C)CC(=O)NCCC#N ZINC000128411181 591037435 /nfs/dbraw/zinc/03/74/35/591037435.db2.gz XBOSCBKAZZHCID-VIFPVBQESA-N 1 0 213.281 -0.281 20 30 BBEDRO C[C@@H](O)CC[N@H+](C)CC(=O)NCCC#N ZINC000128411418 591035748 /nfs/dbraw/zinc/03/57/48/591035748.db2.gz XBOSCBKAZZHCID-SECBINFHSA-N 1 0 213.281 -0.281 20 30 BBEDRO C#CCOCCC(=O)NCC[N@@H+](C)CCOC ZINC000128423775 591038193 /nfs/dbraw/zinc/03/81/93/591038193.db2.gz OOPGUDSXRAXGFM-UHFFFAOYSA-N 1 0 242.319 -0.279 20 30 BBEDRO CC[N@H+](CCCO)CC(=O)NCCC#N ZINC000128475777 591082215 /nfs/dbraw/zinc/08/22/15/591082215.db2.gz VBUVKUAOXVMEBH-UHFFFAOYSA-N 1 0 213.281 -0.279 20 30 BBEDRO CN(C)C(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000128572011 133479018 /nfs/dbraw/zinc/47/90/18/133479018.db2.gz HCRXBAVGDNMLOD-UHFFFAOYSA-N 1 0 226.240 -0.332 20 30 BBEDRO C=CCC[C@H](O)C[N@@H+](CCO)CCCO ZINC000128594604 358577405 /nfs/dbraw/zinc/57/74/05/358577405.db2.gz SSKAZJHSHHNSLZ-NSHDSACASA-N 1 0 217.309 -0.010 20 30 BBEDRO C=CCC[C@@H](O)C[N@@H+](CCO)CCCO ZINC000128594812 358577448 /nfs/dbraw/zinc/57/74/48/358577448.db2.gz SSKAZJHSHHNSLZ-LLVKDONJSA-N 1 0 217.309 -0.010 20 30 BBEDRO CC#CCN1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000128643808 349991303 /nfs/dbraw/zinc/99/13/03/349991303.db2.gz MGGHKPWSQHZCLK-JTQLQIEISA-N 1 0 230.333 -0.025 20 30 BBEDRO [NH2+]=C(NCCCF)NCCCN1CCOCC1 ZINC000128899927 591176469 /nfs/dbraw/zinc/17/64/69/591176469.db2.gz IYDMANPJVMSNMI-UHFFFAOYSA-N 1 0 246.330 -0.027 20 30 BBEDRO CNC(NCCCO[C@@H]1CCOC1)=[NH+]C ZINC000129581482 591328984 /nfs/dbraw/zinc/32/89/84/591328984.db2.gz QULBZURMNQBTAR-SECBINFHSA-N 1 0 215.297 -0.023 20 30 BBEDRO CNC(NCCCO[C@H]1CCOC1)=[NH+]C ZINC000129581673 591329586 /nfs/dbraw/zinc/32/95/86/591329586.db2.gz QULBZURMNQBTAR-VIFPVBQESA-N 1 0 215.297 -0.023 20 30 BBEDRO CNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000129583652 591326767 /nfs/dbraw/zinc/32/67/67/591326767.db2.gz PRNXMUGNJQVPJI-MRVPVSSYSA-N 1 0 201.270 -0.284 20 30 BBEDRO CNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000129583841 591330308 /nfs/dbraw/zinc/33/03/08/591330308.db2.gz PRNXMUGNJQVPJI-QMMMGPOBSA-N 1 0 201.270 -0.284 20 30 BBEDRO CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000129624921 133654600 /nfs/dbraw/zinc/65/46/00/133654600.db2.gz VQBUUKGTYPQWKT-YUMQZZPRSA-N 1 0 248.352 -0.762 20 30 BBEDRO CNC(=[NH2+])NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000129625127 591341468 /nfs/dbraw/zinc/34/14/68/591341468.db2.gz VQBUUKGTYPQWKT-SFYZADRCSA-N 1 0 248.352 -0.762 20 30 BBEDRO CNC(=[NH2+])NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000129625356 591341434 /nfs/dbraw/zinc/34/14/34/591341434.db2.gz VQBUUKGTYPQWKT-JGVFFNPUSA-N 1 0 248.352 -0.762 20 30 BBEDRO CNC(=[NH2+])NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000129625557 591340902 /nfs/dbraw/zinc/34/09/02/591340902.db2.gz VQBUUKGTYPQWKT-HTQZYQBOSA-N 1 0 248.352 -0.762 20 30 BBEDRO N#CCCN1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000129907815 357035253 /nfs/dbraw/zinc/03/52/53/357035253.db2.gz HTWFDOTYTHWSMG-LLVKDONJSA-N 1 0 236.319 -0.204 20 30 BBEDRO C=C[C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000130495797 358628606 /nfs/dbraw/zinc/62/86/06/358628606.db2.gz DHSXJNZNLHHKAY-QMMMGPOBSA-N 1 0 223.276 -0.252 20 30 BBEDRO C=C[C@@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000130495989 358628551 /nfs/dbraw/zinc/62/85/51/358628551.db2.gz DHSXJNZNLHHKAY-MRVPVSSYSA-N 1 0 223.276 -0.252 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NCC[NH+](C)C ZINC000130680136 353359404 /nfs/dbraw/zinc/35/94/04/353359404.db2.gz QRJNJRXFJIZLKM-UHFFFAOYSA-N 1 0 234.325 -0.772 20 30 BBEDRO CC[C@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000130899562 398302291 /nfs/dbraw/zinc/30/22/91/398302291.db2.gz GALBHAAZCFRDRV-JTQLQIEISA-N 1 0 224.308 -0.218 20 30 BBEDRO CC[C@@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000130899768 398302226 /nfs/dbraw/zinc/30/22/26/398302226.db2.gz GALBHAAZCFRDRV-SNVBAGLBSA-N 1 0 224.308 -0.218 20 30 BBEDRO C[C@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000130899954 398302347 /nfs/dbraw/zinc/30/23/47/398302347.db2.gz FXMJRKKKXIIOFM-VIFPVBQESA-N 1 0 210.281 -0.609 20 30 BBEDRO C[C@@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000130900172 370074885 /nfs/dbraw/zinc/07/48/85/370074885.db2.gz FXMJRKKKXIIOFM-SECBINFHSA-N 1 0 210.281 -0.609 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000131204194 325125434 /nfs/dbraw/zinc/12/54/34/325125434.db2.gz RZOPSNASROHBSR-BDAKNGLRSA-N 1 0 238.291 -0.740 20 30 BBEDRO C=CCN(C(=O)CNC(=O)C[NH3+])C1CC1 ZINC000131272308 343183156 /nfs/dbraw/zinc/18/31/56/343183156.db2.gz QBBXNTAVUFPJGP-UHFFFAOYSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=CCN(C1CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000131763372 711631115 /nfs/dbraw/zinc/63/11/15/711631115.db2.gz OWBDCBOJFBIFMQ-UHFFFAOYSA-N 1 0 245.348 -0.213 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000131871692 344237625 /nfs/dbraw/zinc/23/76/25/344237625.db2.gz KSNNDTBJMMJSPV-VIFPVBQESA-N 1 0 213.281 -0.612 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CO ZINC000132010682 353373726 /nfs/dbraw/zinc/37/37/26/353373726.db2.gz NZMAFYCALGHBSH-QMMMGPOBSA-N 1 0 229.280 -0.689 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CO ZINC000132010901 358704113 /nfs/dbraw/zinc/70/41/13/358704113.db2.gz NZMAFYCALGHBSH-MRVPVSSYSA-N 1 0 229.280 -0.689 20 30 BBEDRO N#CCN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000132350043 343188151 /nfs/dbraw/zinc/18/81/51/343188151.db2.gz ZRJHFDPAIYWRJC-GZMMTYOYSA-N 1 0 236.275 -0.051 20 30 BBEDRO N#CCN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000132350227 343188328 /nfs/dbraw/zinc/18/83/28/343188328.db2.gz ZRJHFDPAIYWRJC-KWQFWETISA-N 1 0 236.275 -0.051 20 30 BBEDRO N#CCN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000132350442 343188027 /nfs/dbraw/zinc/18/80/27/343188027.db2.gz ZRJHFDPAIYWRJC-LDYMZIIASA-N 1 0 236.275 -0.051 20 30 BBEDRO N#CCN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000132350634 343188007 /nfs/dbraw/zinc/18/80/07/343188007.db2.gz ZRJHFDPAIYWRJC-KCJUWKMLSA-N 1 0 236.275 -0.051 20 30 BBEDRO C[C@H](O)CNC(=[NH2+])N1CCSCC1 ZINC000132361309 591704425 /nfs/dbraw/zinc/70/44/25/591704425.db2.gz AVPRZMUIFRUUGJ-ZETCQYMHSA-N 1 0 203.311 -0.269 20 30 BBEDRO CCOCCCNC(=[NH2+])NC[C@H](C)O ZINC000132363585 591705908 /nfs/dbraw/zinc/70/59/08/591705908.db2.gz ZSQHOJGGLNUJBJ-QMMMGPOBSA-N 1 0 203.286 -0.302 20 30 BBEDRO C[C@@H](O)CNC(=[NH2+])N1CCSCC1 ZINC000132374134 591705246 /nfs/dbraw/zinc/70/52/46/591705246.db2.gz AVPRZMUIFRUUGJ-SSDOTTSWSA-N 1 0 203.311 -0.269 20 30 BBEDRO CCOCCCNC(=[NH2+])NC[C@@H](C)O ZINC000132377058 591705445 /nfs/dbraw/zinc/70/54/45/591705445.db2.gz ZSQHOJGGLNUJBJ-MRVPVSSYSA-N 1 0 203.286 -0.302 20 30 BBEDRO C=CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000132695480 384200475 /nfs/dbraw/zinc/20/04/75/384200475.db2.gz FHCCGVNKUPRMFS-SNVBAGLBSA-N 1 0 215.297 -0.216 20 30 BBEDRO C=CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000132695672 384200366 /nfs/dbraw/zinc/20/03/66/384200366.db2.gz FHCCGVNKUPRMFS-JTQLQIEISA-N 1 0 215.297 -0.216 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]([NH2+]C)C1 ZINC000133172980 344315183 /nfs/dbraw/zinc/31/51/83/344315183.db2.gz MAIJUASAMWLCSN-UWVGGRQHSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CC[C@H]([NH2+]C)C1 ZINC000133173168 344314827 /nfs/dbraw/zinc/31/48/27/344314827.db2.gz MAIJUASAMWLCSN-ZJUUUORDSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)CCC[NH3+] ZINC000133215209 372008040 /nfs/dbraw/zinc/00/80/40/372008040.db2.gz TUQCGGYZTONYTN-UHFFFAOYSA-N 1 0 228.296 -0.721 20 30 BBEDRO C#CC[NH+](CC#C)CCCNS(=O)(=O)CC ZINC000133254956 353407473 /nfs/dbraw/zinc/40/74/73/353407473.db2.gz JKOVEXPIQHPWMQ-UHFFFAOYSA-N 1 0 242.344 -0.116 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@H]1C[NH2+]C ZINC000133279023 344315987 /nfs/dbraw/zinc/31/59/87/344315987.db2.gz UBTGOFATBBOVEI-JTQLQIEISA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@@H]1C[NH2+]C ZINC000133279237 353404258 /nfs/dbraw/zinc/40/42/58/353404258.db2.gz UBTGOFATBBOVEI-SNVBAGLBSA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CCNC(=O)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000133325139 411712009 /nfs/dbraw/zinc/71/20/09/411712009.db2.gz QOFZFIQDICXKBT-UWVGGRQHSA-N 1 0 227.308 -0.663 20 30 BBEDRO C=CCNC(=O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133325336 411711197 /nfs/dbraw/zinc/71/11/97/411711197.db2.gz QOFZFIQDICXKBT-ZJUUUORDSA-N 1 0 227.308 -0.663 20 30 BBEDRO C=CCNC(=O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000133325558 411710143 /nfs/dbraw/zinc/71/01/43/411710143.db2.gz QOFZFIQDICXKBT-VHSXEESVSA-N 1 0 227.308 -0.663 20 30 BBEDRO C=CCNC(=O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133325737 411711782 /nfs/dbraw/zinc/71/17/82/411711782.db2.gz QOFZFIQDICXKBT-NXEZZACHSA-N 1 0 227.308 -0.663 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N(CC)CC(=O)NCC ZINC000133488395 353416057 /nfs/dbraw/zinc/41/60/57/353416057.db2.gz KBXORJIOMOQICH-SNVBAGLBSA-N 1 0 239.319 -0.418 20 30 BBEDRO CC(C)C(N)=[NH+]OCCCN1C(=O)CNC1=O ZINC000133670744 345383039 /nfs/dbraw/zinc/38/30/39/345383039.db2.gz QZYCKRSQOQEHPO-UHFFFAOYSA-N 1 0 242.279 -0.127 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@H]1CCCN1S(C)(=O)=O ZINC000133939012 135502278 /nfs/dbraw/zinc/50/22/78/135502278.db2.gz QWEKELLGPVKMJI-MRVPVSSYSA-N 1 0 248.352 -0.713 20 30 BBEDRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)NCC#N ZINC000134125315 591892080 /nfs/dbraw/zinc/89/20/80/591892080.db2.gz XJYRZXDJRPCXMC-NSHDSACASA-N 1 0 241.291 -0.052 20 30 BBEDRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)NCC#N ZINC000134125517 591891857 /nfs/dbraw/zinc/89/18/57/591891857.db2.gz XJYRZXDJRPCXMC-LLVKDONJSA-N 1 0 241.291 -0.052 20 30 BBEDRO C#CCOCCC(=O)N1CCN(CC#C)CC1 ZINC000134169116 591897853 /nfs/dbraw/zinc/89/78/53/591897853.db2.gz LGSVITJIKHWHNE-UHFFFAOYSA-N 1 0 234.299 -0.196 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)[C@H](CO)C(C)(C)C ZINC000134440706 136228386 /nfs/dbraw/zinc/22/83/86/136228386.db2.gz GGMVYGIDDGJPPH-SECBINFHSA-N 1 0 227.308 -0.035 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)[C@@H](CO)C(C)(C)C ZINC000134440725 136228380 /nfs/dbraw/zinc/22/83/80/136228380.db2.gz GGMVYGIDDGJPPH-VIFPVBQESA-N 1 0 227.308 -0.035 20 30 BBEDRO N#CCCN1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000134822405 342893840 /nfs/dbraw/zinc/89/38/40/342893840.db2.gz HTWFDOTYTHWSMG-NSHDSACASA-N 1 0 236.319 -0.204 20 30 BBEDRO N#CCCN1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000134825051 342895374 /nfs/dbraw/zinc/89/53/74/342895374.db2.gz JCESYYCKECKYIJ-UHFFFAOYSA-N 1 0 236.319 -0.074 20 30 BBEDRO C[NH2+]C[C@H](C)C(=O)N1CCN(CCC#N)CC1 ZINC000134826824 342895549 /nfs/dbraw/zinc/89/55/49/342895549.db2.gz PUFZMXKQEBSBDX-NSHDSACASA-N 1 0 238.335 -0.100 20 30 BBEDRO C[NH2+]C[C@@H](C)C(=O)N1CCN(CCC#N)CC1 ZINC000134826841 342895461 /nfs/dbraw/zinc/89/54/61/342895461.db2.gz PUFZMXKQEBSBDX-LLVKDONJSA-N 1 0 238.335 -0.100 20 30 BBEDRO N#CCCN1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000134826994 342895507 /nfs/dbraw/zinc/89/55/07/342895507.db2.gz XRBLHULRYBZPDB-UHFFFAOYSA-N 1 0 236.319 -0.204 20 30 BBEDRO N#CCCN1CCN(C(=O)COCC[NH3+])CC1 ZINC000134827144 342895567 /nfs/dbraw/zinc/89/55/67/342895567.db2.gz JHJXLZMDWIKFSY-UHFFFAOYSA-N 1 0 240.307 -0.980 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C(C)(C)CO ZINC000134848816 358807805 /nfs/dbraw/zinc/80/78/05/358807805.db2.gz XRISTIPKSXDHJN-UHFFFAOYSA-N 1 0 243.307 -0.299 20 30 BBEDRO CC#CCNC(=O)NCC[N@@H+](C)CCOC ZINC000135342309 353539245 /nfs/dbraw/zinc/53/92/45/353539245.db2.gz FWYPVSKHMAYWEC-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO C#CCNC(=O)C[NH+]1CCC(OCCO)CC1 ZINC000135391220 592010979 /nfs/dbraw/zinc/01/09/79/592010979.db2.gz STJRDLBUHMVUPS-UHFFFAOYSA-N 1 0 240.303 -0.791 20 30 BBEDRO C=CCNC(=O)C[NH+]1CCC(OCCO)CC1 ZINC000135391768 358835999 /nfs/dbraw/zinc/83/59/99/358835999.db2.gz IBULEFRXJVCBML-UHFFFAOYSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)CC[C@H](C)O ZINC000135408318 388493733 /nfs/dbraw/zinc/49/37/33/388493733.db2.gz ITWJSDDNSCCLLW-VIFPVBQESA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)CC[C@@H](C)O ZINC000135408337 388494240 /nfs/dbraw/zinc/49/42/40/388494240.db2.gz ITWJSDDNSCCLLW-SECBINFHSA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+](CC)CCCO ZINC000135422296 358837765 /nfs/dbraw/zinc/83/77/65/358837765.db2.gz CNLAMFDLGUKIMR-UHFFFAOYSA-N 1 0 243.307 -0.298 20 30 BBEDRO CC#CCNC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000135970629 344949394 /nfs/dbraw/zinc/94/93/94/344949394.db2.gz OAPJOFXMZNQZBR-WDEREUQCSA-N 1 0 237.303 -0.266 20 30 BBEDRO CC#CCNC(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000135970664 344949412 /nfs/dbraw/zinc/94/94/12/344949412.db2.gz OAPJOFXMZNQZBR-MNOVXSKESA-N 1 0 237.303 -0.266 20 30 BBEDRO CC(C)(C)NC(=O)CON=C(N)CCO ZINC000136074231 588837690 /nfs/dbraw/zinc/83/76/90/588837690.db2.gz RRMNDVYOSMMZFU-UHFFFAOYSA-N 1 0 217.269 -0.428 20 30 BBEDRO CCCCNC(=O)CON=C(N)CCO ZINC000136074279 588837594 /nfs/dbraw/zinc/83/75/94/588837594.db2.gz XGIUIDQIZKLNRE-UHFFFAOYSA-N 1 0 217.269 -0.426 20 30 BBEDRO C#CCNC(=O)C[N@H+](CCO)CC1CC1 ZINC000143207365 711783647 /nfs/dbraw/zinc/78/36/47/711783647.db2.gz DTGVDPAUJTZAES-UHFFFAOYSA-N 1 0 210.277 -0.560 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1c[nH]nc1C ZINC000147299182 345370891 /nfs/dbraw/zinc/37/08/91/345370891.db2.gz RSUXORDHQKMIHZ-UHFFFAOYSA-N 1 0 220.276 -0.053 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC(C)(C)C(=O)OC ZINC000151790540 384778101 /nfs/dbraw/zinc/77/81/01/384778101.db2.gz CDJZCINFVRHSRX-VIFPVBQESA-N 1 0 240.303 -0.087 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC(C)(C)C(=O)OC ZINC000151790622 166182876 /nfs/dbraw/zinc/18/28/76/166182876.db2.gz CDJZCINFVRHSRX-SECBINFHSA-N 1 0 240.303 -0.087 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)CC1(O)CCCC1 ZINC000152237180 385025017 /nfs/dbraw/zinc/02/50/17/385025017.db2.gz HNYJTQXZWJTFRI-UHFFFAOYSA-N 1 0 225.292 -0.137 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000152596366 166297146 /nfs/dbraw/zinc/29/71/46/166297146.db2.gz AIXFJFBGLSMULK-GMTAPVOTSA-N 1 0 242.319 -0.112 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000152596496 166297745 /nfs/dbraw/zinc/29/77/45/166297745.db2.gz AIXFJFBGLSMULK-MXWKQRLJSA-N 1 0 242.319 -0.112 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCO ZINC000153132671 166376285 /nfs/dbraw/zinc/37/62/85/166376285.db2.gz RUCCOOZFPPLJIF-QMMMGPOBSA-N 1 0 229.280 -0.689 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCO ZINC000153132797 166375619 /nfs/dbraw/zinc/37/56/19/166375619.db2.gz RUCCOOZFPPLJIF-MRVPVSSYSA-N 1 0 229.280 -0.689 20 30 BBEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(N)=O ZINC000153244741 388955450 /nfs/dbraw/zinc/95/54/50/388955450.db2.gz WKTFPIADPZJCAO-UHFFFAOYSA-N 1 0 236.279 -0.787 20 30 BBEDRO C=C(Br)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000153545483 641815315 /nfs/dbraw/zinc/81/53/15/641815315.db2.gz GTLGUYDRRDPDFD-ZETCQYMHSA-N 1 0 249.108 0.000 20 30 BBEDRO C=C(Br)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000153545607 641815273 /nfs/dbraw/zinc/81/52/73/641815273.db2.gz GTLGUYDRRDPDFD-SSDOTTSWSA-N 1 0 249.108 0.000 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153717591 201248735 /nfs/dbraw/zinc/24/87/35/201248735.db2.gz VZKXUQBDGJAJOD-NSHDSACASA-N 1 0 223.276 -0.261 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153717711 201246941 /nfs/dbraw/zinc/24/69/41/201246941.db2.gz VZKXUQBDGJAJOD-LLVKDONJSA-N 1 0 223.276 -0.261 20 30 BBEDRO N#CCNC(=O)CN1CCOC2(CCC2)C1 ZINC000154214415 201270445 /nfs/dbraw/zinc/27/04/45/201270445.db2.gz MQCQIVOUXWXBPZ-UHFFFAOYSA-N 1 0 223.276 -0.119 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCCC(=O)NC ZINC000155282768 166183663 /nfs/dbraw/zinc/18/36/63/166183663.db2.gz YUSPIKVJBPHTRT-JTQLQIEISA-N 1 0 239.319 -0.418 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCC(=O)NC ZINC000155282877 166181791 /nfs/dbraw/zinc/18/17/91/166181791.db2.gz YUSPIKVJBPHTRT-SNVBAGLBSA-N 1 0 239.319 -0.418 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)CCCC(=O)NC ZINC000155376461 166365462 /nfs/dbraw/zinc/36/54/62/166365462.db2.gz KBNWSECUNZWNCV-UHFFFAOYSA-N 1 0 227.308 -0.253 20 30 BBEDRO C=CCN1CC[C@@H](S(=O)(=O)NC)C1 ZINC000155678163 360910125 /nfs/dbraw/zinc/91/01/25/360910125.db2.gz VUSCWLMYCCJYIO-MRVPVSSYSA-N 1 0 204.295 -0.204 20 30 BBEDRO C=CCN1CC[C@H](S(=O)(=O)NC)C1 ZINC000155678284 360910348 /nfs/dbraw/zinc/91/03/48/360910348.db2.gz VUSCWLMYCCJYIO-QMMMGPOBSA-N 1 0 204.295 -0.204 20 30 BBEDRO C#CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000155735803 191081503 /nfs/dbraw/zinc/08/15/03/191081503.db2.gz HABGTCIJPQUNSF-SNVBAGLBSA-N 1 0 237.303 -0.854 20 30 BBEDRO C#CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000155735913 384759423 /nfs/dbraw/zinc/75/94/23/384759423.db2.gz HABGTCIJPQUNSF-JTQLQIEISA-N 1 0 237.303 -0.854 20 30 BBEDRO C[N@@H+](CC(=O)NCC#N)CC1CCOCC1 ZINC000155743137 345100260 /nfs/dbraw/zinc/10/02/60/345100260.db2.gz PUWTZCMONRVIIZ-UHFFFAOYSA-N 1 0 225.292 -0.015 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)CCO ZINC000155762351 166376324 /nfs/dbraw/zinc/37/63/24/166376324.db2.gz ZXDWRRXSDJKRAX-VIFPVBQESA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)CCO ZINC000155762485 166375883 /nfs/dbraw/zinc/37/58/83/166375883.db2.gz ZXDWRRXSDJKRAX-SECBINFHSA-N 1 0 243.307 -0.299 20 30 BBEDRO CNC(=[NH2+])N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155835459 385416097 /nfs/dbraw/zinc/41/60/97/385416097.db2.gz VGRHQKOJLFCOMR-UHFFFAOYSA-N 1 0 236.279 -0.987 20 30 BBEDRO CC#CCC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000156075246 191083045 /nfs/dbraw/zinc/08/30/45/191083045.db2.gz OVRYHOZZXMPTDY-ZJUUUORDSA-N 1 0 210.277 -0.026 20 30 BBEDRO CC#CCC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000156075355 191082724 /nfs/dbraw/zinc/08/27/24/191082724.db2.gz OVRYHOZZXMPTDY-NXEZZACHSA-N 1 0 210.277 -0.026 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)C(C)C ZINC000156380082 345151937 /nfs/dbraw/zinc/15/19/37/345151937.db2.gz MWGYHMZLFJLTER-SECBINFHSA-N 1 0 243.307 -0.395 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000156580399 345176931 /nfs/dbraw/zinc/17/69/31/345176931.db2.gz NJTKTMHBVCNMJF-AXFHLTTASA-N 1 0 224.304 -0.009 20 30 BBEDRO N#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000156601283 345189405 /nfs/dbraw/zinc/18/94/05/345189405.db2.gz QDJICJGVCXNFQY-GUBZILKMSA-N 1 0 223.276 -0.671 20 30 BBEDRO N#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000156601402 345189530 /nfs/dbraw/zinc/18/95/30/345189530.db2.gz QDJICJGVCXNFQY-LPEHRKFASA-N 1 0 223.276 -0.671 20 30 BBEDRO N#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000156601540 345189500 /nfs/dbraw/zinc/18/95/00/345189500.db2.gz QDJICJGVCXNFQY-AEJSXWLSSA-N 1 0 223.276 -0.671 20 30 BBEDRO N#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000156601686 345189962 /nfs/dbraw/zinc/18/99/62/345189962.db2.gz QDJICJGVCXNFQY-IVZWLZJFSA-N 1 0 223.276 -0.671 20 30 BBEDRO C=CCC[C@H](O)C[NH+](CCO)CCO ZINC000156874753 385001688 /nfs/dbraw/zinc/00/16/88/385001688.db2.gz LAIKLZKJNHSHMK-JTQLQIEISA-N 1 0 203.282 -0.400 20 30 BBEDRO C=CCC[C@@H](O)C[NH+](CCO)CCO ZINC000156874900 133473098 /nfs/dbraw/zinc/47/30/98/133473098.db2.gz LAIKLZKJNHSHMK-SNVBAGLBSA-N 1 0 203.282 -0.400 20 30 BBEDRO CNC(=O)C(C)(C)CNC(NC)=[NH+]C ZINC000157360110 640670792 /nfs/dbraw/zinc/67/07/92/640670792.db2.gz PSTQOLURTSHCRL-UHFFFAOYSA-N 1 0 200.286 -0.447 20 30 BBEDRO C=CCNC(=[NH2+])NCC(C)(C)C(=O)NC ZINC000157360415 632429174 /nfs/dbraw/zinc/42/91/74/632429174.db2.gz AWSQQBJWEARVJM-UHFFFAOYSA-N 1 0 212.297 -0.151 20 30 BBEDRO CNC(=O)C(C)(C)CNC(=[NH2+])NC1CC1 ZINC000157360569 636034091 /nfs/dbraw/zinc/03/40/91/636034091.db2.gz ITKVFQOAHPVYQB-UHFFFAOYSA-N 1 0 212.297 -0.175 20 30 BBEDRO CNC(=O)C(C)(C)CNC(=[NH2+])NCCOC ZINC000157361209 632429692 /nfs/dbraw/zinc/42/96/92/632429692.db2.gz KIPUAXRCLIMAEP-UHFFFAOYSA-N 1 0 230.312 -0.691 20 30 BBEDRO CCNC(=O)C(C)(C)CNC(NC)=[NH+]C ZINC000157364902 632428549 /nfs/dbraw/zinc/42/85/49/632428549.db2.gz BEYJGYSUBLUMRB-UHFFFAOYSA-N 1 0 214.313 -0.057 20 30 BBEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])NCCOC ZINC000157365231 632429189 /nfs/dbraw/zinc/42/91/89/632429189.db2.gz ZXUUJJQOOQFDKK-UHFFFAOYSA-N 1 0 244.339 -0.301 20 30 BBEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])NC ZINC000157365889 632429409 /nfs/dbraw/zinc/42/94/09/632429409.db2.gz RUASVJDGWASALV-UHFFFAOYSA-N 1 0 200.286 -0.317 20 30 BBEDRO CNC(=O)C(C)(C)CNC(=[NH2+])N[C@@H](C)COC ZINC000157368717 640668692 /nfs/dbraw/zinc/66/86/92/640668692.db2.gz LKBFLAQNQPYEEP-QMMMGPOBSA-N 1 0 244.339 -0.302 20 30 BBEDRO CNC(=O)C(C)(C)CNC(=[NH2+])N[C@H](C)COC ZINC000157368878 632429445 /nfs/dbraw/zinc/42/94/45/632429445.db2.gz LKBFLAQNQPYEEP-MRVPVSSYSA-N 1 0 244.339 -0.302 20 30 BBEDRO CNC(=O)C(C)(C)CNC(=[NH2+])N1CCOCC1 ZINC000157372254 632428117 /nfs/dbraw/zinc/42/81/17/632428117.db2.gz UNQXVHRLUVQVJW-UHFFFAOYSA-N 1 0 242.323 -0.595 20 30 BBEDRO C=C(Br)CNC(=O)COCC[NH3+] ZINC000158031572 641626946 /nfs/dbraw/zinc/62/69/46/641626946.db2.gz OCPNMGKBTFHDTH-UHFFFAOYSA-N 1 0 237.097 -0.014 20 30 BBEDRO CC#CCCN1CCO[C@H](C(=O)NC)C1 ZINC000158037386 385324860 /nfs/dbraw/zinc/32/48/60/385324860.db2.gz BTQVNCHEMKKZPF-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C=C(Cl)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000158245717 385274511 /nfs/dbraw/zinc/27/45/11/385274511.db2.gz MEPWHPYREITEIB-ZETCQYMHSA-N 1 0 204.657 -0.157 20 30 BBEDRO C=C(Cl)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000158245873 187301090 /nfs/dbraw/zinc/30/10/90/187301090.db2.gz MEPWHPYREITEIB-SSDOTTSWSA-N 1 0 204.657 -0.157 20 30 BBEDRO CC#CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000158356597 345323049 /nfs/dbraw/zinc/32/30/49/345323049.db2.gz CVNAHQOTULJTAK-UHFFFAOYSA-N 1 0 235.287 -0.413 20 30 BBEDRO C#CC[NH2+]CC(=O)NCCCn1cccn1 ZINC000158576285 641642164 /nfs/dbraw/zinc/64/21/64/641642164.db2.gz PGBMRYQRZUYMBE-UHFFFAOYSA-N 1 0 220.276 -0.388 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000158801456 641652025 /nfs/dbraw/zinc/65/20/25/641652025.db2.gz PWONIWUPXRYOCO-NSHDSACASA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000158801581 641652908 /nfs/dbraw/zinc/65/29/08/641652908.db2.gz PWONIWUPXRYOCO-LLVKDONJSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000159361939 711804282 /nfs/dbraw/zinc/80/42/82/711804282.db2.gz GQOZNHOGMWXXOK-QWRGUYRKSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000159362054 711804154 /nfs/dbraw/zinc/80/41/54/711804154.db2.gz GQOZNHOGMWXXOK-MNOVXSKESA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000159362186 711804167 /nfs/dbraw/zinc/80/41/67/711804167.db2.gz GQOZNHOGMWXXOK-WDEREUQCSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000159362340 711804293 /nfs/dbraw/zinc/80/42/93/711804293.db2.gz GQOZNHOGMWXXOK-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000159368291 345427827 /nfs/dbraw/zinc/42/78/27/345427827.db2.gz VDZKKWWRMMBOBF-UWVGGRQHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000159368415 345427506 /nfs/dbraw/zinc/42/75/06/345427506.db2.gz VDZKKWWRMMBOBF-ZJUUUORDSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000159368548 345422809 /nfs/dbraw/zinc/42/28/09/345422809.db2.gz VDZKKWWRMMBOBF-VHSXEESVSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000159368707 345423448 /nfs/dbraw/zinc/42/34/48/345423448.db2.gz VDZKKWWRMMBOBF-NXEZZACHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O ZINC000159474192 166376084 /nfs/dbraw/zinc/37/60/84/166376084.db2.gz IRBUHHZJZZOZEJ-IUCAKERBSA-N 1 0 243.307 -0.301 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159474324 166375583 /nfs/dbraw/zinc/37/55/83/166375583.db2.gz IRBUHHZJZZOZEJ-BDAKNGLRSA-N 1 0 243.307 -0.301 20 30 BBEDRO CC#CC[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000160309408 388057873 /nfs/dbraw/zinc/05/78/73/388057873.db2.gz VYWVCOIVXLKBFY-SNVBAGLBSA-N 1 0 245.348 -0.485 20 30 BBEDRO CC#CC[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000160309537 388058722 /nfs/dbraw/zinc/05/87/22/388058722.db2.gz VYWVCOIVXLKBFY-JTQLQIEISA-N 1 0 245.348 -0.485 20 30 BBEDRO CNC(NCC1(OC)CCOCC1)=[NH+]C ZINC000160406774 636027924 /nfs/dbraw/zinc/02/79/24/636027924.db2.gz VUUFYTHZNKSGPZ-UHFFFAOYSA-N 1 0 215.297 -0.023 20 30 BBEDRO COCCNC(=[NH2+])NCC1(OC)CCOCC1 ZINC000160409072 643574427 /nfs/dbraw/zinc/57/44/27/643574427.db2.gz HSARPJRMGQMYEX-UHFFFAOYSA-N 1 0 245.323 -0.267 20 30 BBEDRO CC(C)CCNC(=[NH2+])NCC1(CO)COC1 ZINC000160583047 643694064 /nfs/dbraw/zinc/69/40/64/643694064.db2.gz KBICDLXTJNNJRA-UHFFFAOYSA-N 1 0 229.324 -0.054 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)CCCO ZINC000160729663 323104281 /nfs/dbraw/zinc/10/42/81/323104281.db2.gz PIUWOMQMMCGUFO-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCCO ZINC000160729793 361325656 /nfs/dbraw/zinc/32/56/56/361325656.db2.gz PIUWOMQMMCGUFO-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000161187655 166367759 /nfs/dbraw/zinc/36/77/59/166367759.db2.gz QYWZLNFDNNNPQS-WDEREUQCSA-N 1 0 241.335 -0.273 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000161187782 166367539 /nfs/dbraw/zinc/36/75/39/166367539.db2.gz QYWZLNFDNNNPQS-QWRGUYRKSA-N 1 0 241.335 -0.273 20 30 BBEDRO C=C[C@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000161253907 487485697 /nfs/dbraw/zinc/48/56/97/487485697.db2.gz FEETWIAQLIURAO-WPRPVWTQSA-N 1 0 227.308 -0.223 20 30 BBEDRO C=C[C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000161254003 487485671 /nfs/dbraw/zinc/48/56/71/487485671.db2.gz FEETWIAQLIURAO-SCZZXKLOSA-N 1 0 227.308 -0.223 20 30 BBEDRO C=C(Cl)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000161254632 187533215 /nfs/dbraw/zinc/53/32/15/187533215.db2.gz NZSDAYOMLWZQRM-VIFPVBQESA-N 1 0 247.726 -0.045 20 30 BBEDRO C=CCNC(=[NH2+])NCCC(=O)NC(C)C ZINC000161468684 534845382 /nfs/dbraw/zinc/84/53/82/534845382.db2.gz KGIGLFZRKASULS-UHFFFAOYSA-N 1 0 212.297 -0.009 20 30 BBEDRO NC(=[NH2+])NCCCOC[C@H]1CCCO1 ZINC000161471771 353285871 /nfs/dbraw/zinc/28/58/71/353285871.db2.gz ZDWHDOBAZHLODA-MRVPVSSYSA-N 1 0 201.270 -0.155 20 30 BBEDRO NC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000161471887 353285874 /nfs/dbraw/zinc/28/58/74/353285874.db2.gz ZDWHDOBAZHLODA-QMMMGPOBSA-N 1 0 201.270 -0.155 20 30 BBEDRO CCNC(NCC(=O)NCCOC)=[NH+]CC ZINC000161479714 632769538 /nfs/dbraw/zinc/76/95/38/632769538.db2.gz UMDILQMWPLIZCC-UHFFFAOYSA-N 1 0 230.312 -0.676 20 30 BBEDRO C=CCNC(=[NH2+])NCCCNS(C)(=O)=O ZINC000161491811 384494767 /nfs/dbraw/zinc/49/47/67/384494767.db2.gz VDEUGENVJVDFAN-UHFFFAOYSA-N 1 0 234.325 -0.984 20 30 BBEDRO CNC(=[NH2+])NCc1cccnc1N1CCOCC1 ZINC000161493134 384496164 /nfs/dbraw/zinc/49/61/64/384496164.db2.gz VLNBJHGGSRYIBW-UHFFFAOYSA-N 1 0 249.318 -0.048 20 30 BBEDRO [NH2+]=C(NCCNC(=O)c1cccnc1)NC1CC1 ZINC000161504484 134837411 /nfs/dbraw/zinc/83/74/11/134837411.db2.gz WUCWRXMMKVHMHP-UHFFFAOYSA-N 1 0 247.302 -0.122 20 30 BBEDRO CCS(=O)(=O)N(C)CCCNC(=[NH2+])NC ZINC000161506368 711603173 /nfs/dbraw/zinc/60/31/73/711603173.db2.gz FIDSLMQNKIAYJK-UHFFFAOYSA-N 1 0 236.341 -0.808 20 30 BBEDRO C#CCOCCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161527114 632069772 /nfs/dbraw/zinc/06/97/72/632069772.db2.gz VULOUBLSZMFRJY-GFCCVEGCSA-N 1 0 242.319 -0.545 20 30 BBEDRO C#CCOCCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161527235 632071562 /nfs/dbraw/zinc/07/15/62/632071562.db2.gz VULOUBLSZMFRJY-LBPRGKRZSA-N 1 0 242.319 -0.545 20 30 BBEDRO NC(=[NH2+])N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000161531006 387238118 /nfs/dbraw/zinc/23/81/18/387238118.db2.gz FMCCYOCONWUNSW-RXMQYKEDSA-N 1 0 210.203 -0.104 20 30 BBEDRO NC(=[NH2+])N[C@H]1CCN(CC(F)(F)F)C1 ZINC000161531157 387237704 /nfs/dbraw/zinc/23/77/04/387237704.db2.gz FMCCYOCONWUNSW-YFKPBYRVSA-N 1 0 210.203 -0.104 20 30 BBEDRO CCS(=O)(=O)NCCCNC(NC)=[NH+]C ZINC000161532058 632074664 /nfs/dbraw/zinc/07/46/64/632074664.db2.gz RQWUAOHMSJCHPG-UHFFFAOYSA-N 1 0 236.341 -0.889 20 30 BBEDRO CCCNC(=O)CCNC(NC)=[NH+]C ZINC000161540625 632075045 /nfs/dbraw/zinc/07/50/45/632075045.db2.gz WFZYCBKEYUIVEZ-UHFFFAOYSA-N 1 0 200.286 -0.303 20 30 BBEDRO CCCNC(=O)CCNC(=[NH2+])NCCOC ZINC000161540764 636031123 /nfs/dbraw/zinc/03/11/23/636031123.db2.gz RIYZOHDKZUFOKQ-UHFFFAOYSA-N 1 0 230.312 -0.547 20 30 BBEDRO C=CCNC(=[NH2+])NCCOCCOC ZINC000161545258 534845106 /nfs/dbraw/zinc/84/51/06/534845106.db2.gz MHTJCINUFGLPIO-UHFFFAOYSA-N 1 0 201.270 -0.260 20 30 BBEDRO C#CCNC(=O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000161626893 632107398 /nfs/dbraw/zinc/10/73/98/632107398.db2.gz FNIYFKIZZCEEGD-JTQLQIEISA-N 1 0 209.293 -0.628 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](CC)[C@@H](C)C1 ZINC000161627155 632107342 /nfs/dbraw/zinc/10/73/42/632107342.db2.gz RLEOMDLXZAVQQT-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000161627655 632855393 /nfs/dbraw/zinc/85/53/93/632855393.db2.gz LXUPKGACEXFGBP-UHFFFAOYSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000161630111 632857187 /nfs/dbraw/zinc/85/71/87/632857187.db2.gz VXDXWYJJGZOOSL-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000161630252 632856949 /nfs/dbraw/zinc/85/69/49/632856949.db2.gz VXDXWYJJGZOOSL-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO C[C@@H](CC#N)N(C)CCC(=O)NC(N)=O ZINC000161930393 384544659 /nfs/dbraw/zinc/54/46/59/384544659.db2.gz BRIMPRBTMMPGFF-ZETCQYMHSA-N 1 0 212.253 -0.195 20 30 BBEDRO C[C@H](CC#N)N(C)CCC(=O)NC(N)=O ZINC000161930535 384543726 /nfs/dbraw/zinc/54/37/26/384543726.db2.gz BRIMPRBTMMPGFF-SSDOTTSWSA-N 1 0 212.253 -0.195 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](CCO)C(C)C ZINC000162143351 632522955 /nfs/dbraw/zinc/52/29/55/632522955.db2.gz CZYHHRUGYIBPSC-SNVBAGLBSA-N 1 0 212.293 -0.268 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](CCO)C(C)C ZINC000162143424 632522338 /nfs/dbraw/zinc/52/23/38/632522338.db2.gz CZYHHRUGYIBPSC-JTQLQIEISA-N 1 0 212.293 -0.268 20 30 BBEDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)NCC#N ZINC000162168917 388120424 /nfs/dbraw/zinc/12/04/24/388120424.db2.gz OJNQRVSETLXJII-SECBINFHSA-N 1 0 213.281 -0.377 20 30 BBEDRO CC(C)[C@H](CCO)[NH2+]CC(=O)NCC#N ZINC000162169034 385801486 /nfs/dbraw/zinc/80/14/86/385801486.db2.gz OJNQRVSETLXJII-VIFPVBQESA-N 1 0 213.281 -0.377 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000162194298 632545253 /nfs/dbraw/zinc/54/52/53/632545253.db2.gz ZAHBIZXEGIUCJM-UHFFFAOYSA-N 1 0 240.303 -0.791 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000162265175 353311317 /nfs/dbraw/zinc/31/13/17/353311317.db2.gz ZIFCXAQPLMFVMS-UHFFFAOYSA-N 1 0 242.319 -0.238 20 30 BBEDRO C#CCC[NH+]1CCN(Cc2nncn2C)CC1 ZINC000162481707 634182134 /nfs/dbraw/zinc/18/21/34/634182134.db2.gz DPUPOKLTQVXYJU-UHFFFAOYSA-N 1 0 233.319 -0.044 20 30 BBEDRO C#CCC[NH+]1CCN(Cc2ncnn2C)CC1 ZINC000162490911 353322175 /nfs/dbraw/zinc/32/21/75/353322175.db2.gz WSEHUPHQDYLIMJ-UHFFFAOYSA-N 1 0 233.319 -0.044 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)CC1(O)CCCC1 ZINC000162610484 634228047 /nfs/dbraw/zinc/22/80/47/634228047.db2.gz OYUHJFPJLLCNSY-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000163004790 635325424 /nfs/dbraw/zinc/32/54/24/635325424.db2.gz BKKPDDMBNYXERU-VHSXEESVSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000163004883 635323440 /nfs/dbraw/zinc/32/34/40/635323440.db2.gz BKKPDDMBNYXERU-NXEZZACHSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000163004984 635323506 /nfs/dbraw/zinc/32/35/06/635323506.db2.gz BKKPDDMBNYXERU-UWVGGRQHSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000163005063 635323301 /nfs/dbraw/zinc/32/33/01/635323301.db2.gz BKKPDDMBNYXERU-ZJUUUORDSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1cnn(C)c1 ZINC000163743942 388367410 /nfs/dbraw/zinc/36/74/10/388367410.db2.gz KXWAUDWSCABELY-UHFFFAOYSA-N 1 0 220.276 -0.351 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1ccn(C)n1 ZINC000163821781 388369061 /nfs/dbraw/zinc/36/90/61/388369061.db2.gz CPABKNJJQWNAJF-UHFFFAOYSA-N 1 0 220.276 -0.351 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164611850 388241143 /nfs/dbraw/zinc/24/11/43/388241143.db2.gz VCKTWENNYVZOEU-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000164611960 388241693 /nfs/dbraw/zinc/24/16/93/388241693.db2.gz VCKTWENNYVZOEU-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164658431 640494900 /nfs/dbraw/zinc/49/49/00/640494900.db2.gz YBPOUONAQRPJRQ-ZJUUUORDSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000164658505 640495651 /nfs/dbraw/zinc/49/56/51/640495651.db2.gz YBPOUONAQRPJRQ-UWVGGRQHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164673925 398202899 /nfs/dbraw/zinc/20/28/99/398202899.db2.gz VANJAPCODYFEKA-VWYCJHECSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000164674026 398202482 /nfs/dbraw/zinc/20/24/82/398202482.db2.gz VANJAPCODYFEKA-DCAQKATOSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000164888482 388248901 /nfs/dbraw/zinc/24/89/01/388248901.db2.gz SJODSBZRETUPSO-AEJSXWLSSA-N 1 0 212.293 -0.269 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000164888575 191753005 /nfs/dbraw/zinc/75/30/05/191753005.db2.gz SJODSBZRETUPSO-BBBLOLIVSA-N 1 0 212.293 -0.269 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000164888670 187356745 /nfs/dbraw/zinc/35/67/45/187356745.db2.gz SJODSBZRETUPSO-GUBZILKMSA-N 1 0 212.293 -0.269 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)CO ZINC000164888744 386357909 /nfs/dbraw/zinc/35/79/09/386357909.db2.gz SJODSBZRETUPSO-UTLUCORTSA-N 1 0 212.293 -0.269 20 30 BBEDRO C=CCOCCC[NH+](CCO)CCO ZINC000165336944 345719890 /nfs/dbraw/zinc/71/98/90/345719890.db2.gz JSKIZKNZOGQXOW-UHFFFAOYSA-N 1 0 203.282 -0.134 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCO[C@H](C[NH3+])C1 ZINC000165514580 353381574 /nfs/dbraw/zinc/38/15/74/353381574.db2.gz LNYJVUMFVXPYPH-VHSXEESVSA-N 1 0 227.308 -0.663 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CCO[C@H](C[NH3+])C1 ZINC000165514704 133662839 /nfs/dbraw/zinc/66/28/39/133662839.db2.gz LNYJVUMFVXPYPH-NXEZZACHSA-N 1 0 227.308 -0.663 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000166050559 640609134 /nfs/dbraw/zinc/60/91/34/640609134.db2.gz CDRLGNZDKRQBNW-VHSXEESVSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000166050674 640607474 /nfs/dbraw/zinc/60/74/74/640607474.db2.gz CDRLGNZDKRQBNW-NXEZZACHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000166050795 640608934 /nfs/dbraw/zinc/60/89/34/640608934.db2.gz CDRLGNZDKRQBNW-UWVGGRQHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000166050908 640607673 /nfs/dbraw/zinc/60/76/73/640607673.db2.gz CDRLGNZDKRQBNW-ZJUUUORDSA-N 1 0 210.277 -0.562 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000166066848 361847998 /nfs/dbraw/zinc/84/79/98/361847998.db2.gz YTBQYOYOLYILNF-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000166066989 361848325 /nfs/dbraw/zinc/84/83/25/361848325.db2.gz YTBQYOYOLYILNF-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000166067107 361847933 /nfs/dbraw/zinc/84/79/33/361847933.db2.gz YTBQYOYOLYILNF-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000166067235 361848563 /nfs/dbraw/zinc/84/85/63/361848563.db2.gz YTBQYOYOLYILNF-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000166092475 188051315 /nfs/dbraw/zinc/05/13/15/188051315.db2.gz BEBMLNDXKAPIOL-GARJFASQSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000166092595 386106611 /nfs/dbraw/zinc/10/66/11/386106611.db2.gz BEBMLNDXKAPIOL-HBNTYKKESA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000166092710 386105372 /nfs/dbraw/zinc/10/53/72/386105372.db2.gz BEBMLNDXKAPIOL-DCAQKATOSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000166092837 386105101 /nfs/dbraw/zinc/10/51/01/386105101.db2.gz BEBMLNDXKAPIOL-AXFHLTTASA-N 1 0 224.304 -0.173 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000166214389 136309597 /nfs/dbraw/zinc/30/95/97/136309597.db2.gz NETJJXGOHGPFPC-VHSXEESVSA-N 1 0 211.309 -0.042 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000166214614 136309749 /nfs/dbraw/zinc/30/97/49/136309749.db2.gz NETJJXGOHGPFPC-UWVGGRQHSA-N 1 0 211.309 -0.042 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166214726 136309760 /nfs/dbraw/zinc/30/97/60/136309760.db2.gz NETJJXGOHGPFPC-ZJUUUORDSA-N 1 0 211.309 -0.042 20 30 BBEDRO C#C[C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000166402154 166216956 /nfs/dbraw/zinc/21/69/56/166216956.db2.gz ORZQRDMGAUSYGE-QMMMGPOBSA-N 1 0 221.260 -0.805 20 30 BBEDRO C#C[C@@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000166402275 166211958 /nfs/dbraw/zinc/21/19/58/166211958.db2.gz ORZQRDMGAUSYGE-MRVPVSSYSA-N 1 0 221.260 -0.805 20 30 BBEDRO CN(C)C(=[NH+]CCOCCO)N(C)C ZINC000166790933 633122082 /nfs/dbraw/zinc/12/20/82/633122082.db2.gz PNTKCCYNEZDEDB-UHFFFAOYSA-N 1 0 203.286 -0.526 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCOC1 ZINC000167152228 388438546 /nfs/dbraw/zinc/43/85/46/388438546.db2.gz TVTDMDUIOMMJEF-SNVBAGLBSA-N 1 0 210.277 -0.106 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCOC1 ZINC000167152336 326439293 /nfs/dbraw/zinc/43/92/93/326439293.db2.gz TVTDMDUIOMMJEF-JTQLQIEISA-N 1 0 210.277 -0.106 20 30 BBEDRO C=C(Cl)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000167939741 640764673 /nfs/dbraw/zinc/76/46/73/640764673.db2.gz BKBVSUKJKFDCIG-UHFFFAOYSA-N 1 0 229.671 -0.281 20 30 BBEDRO C=C(Cl)CNC(=O)CN1CC[NH2+]CC1 ZINC000167943786 711831163 /nfs/dbraw/zinc/83/11/63/711831163.db2.gz WQNQNPDMLLSDDB-UHFFFAOYSA-N 1 0 217.700 -0.240 20 30 BBEDRO C[NH2+]CC(=O)N1CCN(CCC#N)CC1 ZINC000168039941 351269400 /nfs/dbraw/zinc/26/94/00/351269400.db2.gz PWWIUHPTWWNBES-UHFFFAOYSA-N 1 0 210.281 -0.736 20 30 BBEDRO N#CCCN1CCN(C(=O)CCC[NH3+])CC1 ZINC000168040384 346725293 /nfs/dbraw/zinc/72/52/93/346725293.db2.gz PKEUKYFUXOVLGJ-UHFFFAOYSA-N 1 0 224.308 -0.217 20 30 BBEDRO C[C@H]([NH3+])CC(=O)N1CCN(CCC#N)CC1 ZINC000168040608 351268669 /nfs/dbraw/zinc/26/86/69/351268669.db2.gz UGAQVZOLNIGYIR-JTQLQIEISA-N 1 0 224.308 -0.218 20 30 BBEDRO C[C@@H]([NH3+])CC(=O)N1CCN(CCC#N)CC1 ZINC000168040710 346725200 /nfs/dbraw/zinc/72/52/00/346725200.db2.gz UGAQVZOLNIGYIR-SNVBAGLBSA-N 1 0 224.308 -0.218 20 30 BBEDRO CC(C)([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000168041273 346725629 /nfs/dbraw/zinc/72/56/29/346725629.db2.gz PQRCAAODRSBELP-UHFFFAOYSA-N 1 0 224.308 -0.218 20 30 BBEDRO C[NH2+]CCC(=O)N1CCN(CCC#N)CC1 ZINC000168042283 346725279 /nfs/dbraw/zinc/72/52/79/346725279.db2.gz FTRCADHBLGFFCG-UHFFFAOYSA-N 1 0 224.308 -0.346 20 30 BBEDRO N#CCCN1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000168042385 351272091 /nfs/dbraw/zinc/27/20/91/351272091.db2.gz QWFQAJUPHJFVEQ-UHFFFAOYSA-N 1 0 222.292 -0.464 20 30 BBEDRO CC[NH2+]CC(=O)N1CCN(CCC#N)CC1 ZINC000168042578 633137818 /nfs/dbraw/zinc/13/78/18/633137818.db2.gz QRJSMPTUXKBULZ-UHFFFAOYSA-N 1 0 224.308 -0.346 20 30 BBEDRO C[NH2+][C@@H](C)C(=O)N1CCN(CCC#N)CC1 ZINC000168042690 351271994 /nfs/dbraw/zinc/27/19/94/351271994.db2.gz SFEZHSMCRIJFBV-JTQLQIEISA-N 1 0 224.308 -0.348 20 30 BBEDRO C[C@@H](C[NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000168042895 351272127 /nfs/dbraw/zinc/27/21/27/351272127.db2.gz AUHXTKOEXXTVIK-JTQLQIEISA-N 1 0 224.308 -0.361 20 30 BBEDRO C[C@H](C[NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000168042998 346725606 /nfs/dbraw/zinc/72/56/06/346725606.db2.gz AUHXTKOEXXTVIK-SNVBAGLBSA-N 1 0 224.308 -0.361 20 30 BBEDRO N#CCCCN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000168112229 343209994 /nfs/dbraw/zinc/20/99/94/343209994.db2.gz GVYRJNDPKJHKPV-LLVKDONJSA-N 1 0 236.275 -0.036 20 30 BBEDRO N#CCCCN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000168112349 343209915 /nfs/dbraw/zinc/20/99/15/343209915.db2.gz GVYRJNDPKJHKPV-NSHDSACASA-N 1 0 236.275 -0.036 20 30 BBEDRO CC1(C)[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1O ZINC000168225998 364884949 /nfs/dbraw/zinc/88/49/49/364884949.db2.gz MHCZMQDIMYHWHZ-SFYZADRCSA-N 1 0 211.265 -0.625 20 30 BBEDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC000168226093 364884609 /nfs/dbraw/zinc/88/46/09/364884609.db2.gz MHCZMQDIMYHWHZ-YUMQZZPRSA-N 1 0 211.265 -0.625 20 30 BBEDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)NCC#N ZINC000168226193 345294732 /nfs/dbraw/zinc/29/47/32/345294732.db2.gz MHCZMQDIMYHWHZ-HTQZYQBOSA-N 1 0 211.265 -0.625 20 30 BBEDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC000168226305 364885615 /nfs/dbraw/zinc/88/56/15/364885615.db2.gz MHCZMQDIMYHWHZ-JGVFFNPUSA-N 1 0 211.265 -0.625 20 30 BBEDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000168229372 633139879 /nfs/dbraw/zinc/13/98/79/633139879.db2.gz BGTWZUKGANIADB-IUCAKERBSA-N 1 0 225.292 -0.235 20 30 BBEDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)NCCC#N ZINC000168229445 633138793 /nfs/dbraw/zinc/13/87/93/633138793.db2.gz BGTWZUKGANIADB-RKDXNWHRSA-N 1 0 225.292 -0.235 20 30 BBEDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000168229545 633139349 /nfs/dbraw/zinc/13/93/49/633139349.db2.gz BGTWZUKGANIADB-DTWKUNHWSA-N 1 0 225.292 -0.235 20 30 BBEDRO C=CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000168566429 487521667 /nfs/dbraw/zinc/52/16/67/487521667.db2.gz KPKRTDFUUDTSPP-UHFFFAOYSA-N 1 0 223.276 -0.250 20 30 BBEDRO C=CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000168733506 487539640 /nfs/dbraw/zinc/53/96/40/487539640.db2.gz HBGJHUCPNVAUOU-NSHDSACASA-N 1 0 214.309 -0.155 20 30 BBEDRO C=CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000168733594 487539549 /nfs/dbraw/zinc/53/95/49/487539549.db2.gz HBGJHUCPNVAUOU-LLVKDONJSA-N 1 0 214.309 -0.155 20 30 BBEDRO C=CCCNC(=O)c1cn(CC[NH3+])nn1 ZINC000168787552 487541309 /nfs/dbraw/zinc/54/13/09/487541309.db2.gz RERUDSZCAKRLFI-UHFFFAOYSA-N 1 0 209.253 -0.457 20 30 BBEDRO C=CCCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000168803170 487541768 /nfs/dbraw/zinc/54/17/68/487541768.db2.gz RYHLIWBZGXXEOQ-JTQLQIEISA-N 1 0 227.308 -0.222 20 30 BBEDRO C=CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000168852278 632505192 /nfs/dbraw/zinc/50/51/92/632505192.db2.gz SDZLQWQARZKNOV-UHFFFAOYSA-N 1 0 219.310 -0.698 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000170319265 384506875 /nfs/dbraw/zinc/50/68/75/384506875.db2.gz PXFXDMMZTWTSSI-UHFFFAOYSA-N 1 0 237.303 -0.381 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCC(=O)NC ZINC000170782316 166183814 /nfs/dbraw/zinc/18/38/14/166183814.db2.gz WNIFHVOOZIYUKZ-VIFPVBQESA-N 1 0 225.292 -0.808 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCC(=O)NC ZINC000170782318 166181574 /nfs/dbraw/zinc/18/15/74/166181574.db2.gz WNIFHVOOZIYUKZ-SECBINFHSA-N 1 0 225.292 -0.808 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)CCC(=O)NC ZINC000170783814 166364660 /nfs/dbraw/zinc/36/46/60/166364660.db2.gz ZDVXPZFYDZHTMB-UHFFFAOYSA-N 1 0 213.281 -0.644 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)CCC(=O)NC ZINC000170792761 166387745 /nfs/dbraw/zinc/38/77/45/166387745.db2.gz OVTAKMQCTTZSDD-VIFPVBQESA-N 1 0 227.308 -0.255 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCC(=O)NC ZINC000170792763 166382052 /nfs/dbraw/zinc/38/20/52/166382052.db2.gz OVTAKMQCTTZSDD-SECBINFHSA-N 1 0 227.308 -0.255 20 30 BBEDRO CC(=O)NCCCNC(=[NH2+])N1CCOCC1 ZINC000170904912 640935743 /nfs/dbraw/zinc/93/57/43/640935743.db2.gz PONZLIYOSMEGKX-UHFFFAOYSA-N 1 0 228.296 -0.841 20 30 BBEDRO CCOCCCNC(=[NH2+])NCCCNC(C)=O ZINC000170904936 633177626 /nfs/dbraw/zinc/17/76/26/633177626.db2.gz QTYSCEGBEHIMRM-UHFFFAOYSA-N 1 0 244.339 -0.157 20 30 BBEDRO CC(=O)NCCCNC(=[NH2+])N1CCSCC1 ZINC000170904971 633175919 /nfs/dbraw/zinc/17/59/19/633175919.db2.gz FJKUJJSHFHPXGV-UHFFFAOYSA-N 1 0 244.364 -0.124 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCCNC(C)=O ZINC000170904978 134878998 /nfs/dbraw/zinc/87/89/98/134878998.db2.gz JTHYZORNJWWCHA-UHFFFAOYSA-N 1 0 212.297 -0.007 20 30 BBEDRO CC(C)CCNC(=[NH2+])NCCOCCO ZINC000170905730 633176980 /nfs/dbraw/zinc/17/69/80/633176980.db2.gz FKCVSJOELXTCMK-UHFFFAOYSA-N 1 0 217.313 -0.054 20 30 BBEDRO CCCCNC(=[NH2+])NCCOCCO ZINC000170905734 633177646 /nfs/dbraw/zinc/17/76/46/633177646.db2.gz VQRDRUUKFVWZGI-UHFFFAOYSA-N 1 0 203.286 -0.300 20 30 BBEDRO CCOCCCNC(=[NH2+])NCCOCCO ZINC000170905764 640935177 /nfs/dbraw/zinc/93/51/77/640935177.db2.gz RXGYZPXLMRIYOF-UHFFFAOYSA-N 1 0 233.312 -0.674 20 30 BBEDRO [NH2+]=C(NCCOCCO)NCC1CCC1 ZINC000170905797 633175897 /nfs/dbraw/zinc/17/58/97/633175897.db2.gz CDVZQXOUFXAQLY-UHFFFAOYSA-N 1 0 215.297 -0.300 20 30 BBEDRO [NH2+]=C(NCCOCCO)N1CCSCC1 ZINC000170905808 134254938 /nfs/dbraw/zinc/25/49/38/134254938.db2.gz IZBFVNSGHLBYDX-UHFFFAOYSA-N 1 0 233.337 -0.641 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCOCCO ZINC000170905814 385454393 /nfs/dbraw/zinc/45/43/93/385454393.db2.gz SKNXIOGAHZMDDZ-UHFFFAOYSA-N 1 0 201.270 -0.524 20 30 BBEDRO [NH2+]=C(NCCOCCO)N1CCCCC1 ZINC000170905823 640935525 /nfs/dbraw/zinc/93/55/25/640935525.db2.gz OYFKNEWXEAIJOS-UHFFFAOYSA-N 1 0 215.297 -0.204 20 30 BBEDRO CNC(=O)CNC(=[NH2+])NCCC(C)C ZINC000170907015 633176797 /nfs/dbraw/zinc/17/67/97/633176797.db2.gz BVHODTOJVGAXPH-UHFFFAOYSA-N 1 0 200.286 -0.317 20 30 BBEDRO CNC(=O)CNC(=[NH2+])NCCc1ccccc1 ZINC000170907019 633177482 /nfs/dbraw/zinc/17/74/82/633177482.db2.gz XIMILDHNLULSSP-UHFFFAOYSA-N 1 0 234.303 -0.121 20 30 BBEDRO CCOCCCNC(=[NH2+])NCC(=O)NC ZINC000170907053 633176243 /nfs/dbraw/zinc/17/62/43/633176243.db2.gz PQDAFGRSTOVYDS-UHFFFAOYSA-N 1 0 216.285 -0.937 20 30 BBEDRO CNC(=O)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000170907075 633175995 /nfs/dbraw/zinc/17/59/95/633175995.db2.gz GDTATTVVXPTMRH-MRVPVSSYSA-N 1 0 212.297 -0.221 20 30 BBEDRO CNC(=O)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000170907079 633177004 /nfs/dbraw/zinc/17/70/04/633177004.db2.gz GDTATTVVXPTMRH-QMMMGPOBSA-N 1 0 212.297 -0.221 20 30 BBEDRO CNC(=O)CNC(=[NH2+])N1CCSCC1 ZINC000170907114 640935970 /nfs/dbraw/zinc/93/59/70/640935970.db2.gz ZQFUFSXDTPWYLK-UHFFFAOYSA-N 1 0 216.310 -0.904 20 30 BBEDRO CCCNC(=[NH2+])NCC(=O)NCC(F)(F)F ZINC000170907910 134254701 /nfs/dbraw/zinc/25/47/01/134254701.db2.gz YCLFEBTYVGIFGU-UHFFFAOYSA-N 1 0 240.229 -0.021 20 30 BBEDRO CC(C)NC(=O)CNC(=[NH2+])N1CCOCC1 ZINC000170908360 134255091 /nfs/dbraw/zinc/25/50/91/134255091.db2.gz XMHKPXHMPNVJQB-UHFFFAOYSA-N 1 0 228.296 -0.842 20 30 BBEDRO CCOCCCNC(=[NH2+])NCC(=O)NC(C)C ZINC000170908391 640937277 /nfs/dbraw/zinc/93/72/77/640937277.db2.gz GUOWADCMXYMVHK-UHFFFAOYSA-N 1 0 244.339 -0.158 20 30 BBEDRO CC(C)NC(=O)C[NH+]=C(N(C)C)N(C)C ZINC000170908414 640937384 /nfs/dbraw/zinc/93/73/84/640937384.db2.gz OZMPKXPIBXWHGQ-UHFFFAOYSA-N 1 0 214.313 -0.010 20 30 BBEDRO CC(C)NC(=O)CNC(=[NH2+])N1CCSCC1 ZINC000170908446 134254837 /nfs/dbraw/zinc/25/48/37/134254837.db2.gz MUCZXUNCLSRMOX-UHFFFAOYSA-N 1 0 244.364 -0.126 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(=O)NC(C)C ZINC000170908456 385455204 /nfs/dbraw/zinc/45/52/04/385455204.db2.gz RHLLDOSGENEJFW-UHFFFAOYSA-N 1 0 212.297 -0.009 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCC(=O)NC(C)C ZINC000170908472 640936900 /nfs/dbraw/zinc/93/69/00/640936900.db2.gz WOJYEORNJOCQGA-QMMMGPOBSA-N 1 0 230.312 -0.550 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCC(=O)NC(C)C ZINC000170908474 640937268 /nfs/dbraw/zinc/93/72/68/640937268.db2.gz WOJYEORNJOCQGA-MRVPVSSYSA-N 1 0 230.312 -0.550 20 30 BBEDRO Cc1nccc(CNC(=[NH2+])N2CCOCC2)n1 ZINC000170909327 134254735 /nfs/dbraw/zinc/25/47/35/134254735.db2.gz RJVGXGQSYWSQHM-UHFFFAOYSA-N 1 0 235.291 -0.068 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCC(=O)N1CCCC1 ZINC000170909766 134255087 /nfs/dbraw/zinc/25/50/87/134255087.db2.gz NLCRBZZSPOWPMR-SECBINFHSA-N 1 0 242.323 -0.452 20 30 BBEDRO CCCNC(=O)CCNC(=[NH2+])N(C)C ZINC000170909923 633177404 /nfs/dbraw/zinc/17/74/04/633177404.db2.gz BMHIJGKNVMEOAJ-UHFFFAOYSA-N 1 0 200.286 -0.221 20 30 BBEDRO C[NH+]=C(NCCN1CCOCC1)NCC1CC1 ZINC000170910003 640937406 /nfs/dbraw/zinc/93/74/06/640937406.db2.gz DCHJDQRVMSJWFC-UHFFFAOYSA-N 1 0 240.351 -0.106 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCCC(=O)N(C)C ZINC000170910292 633176397 /nfs/dbraw/zinc/17/63/97/633176397.db2.gz SRMZKGOCZZTERI-VIFPVBQESA-N 1 0 244.339 -0.206 20 30 BBEDRO CN(C)C(=[NH2+])NCCNC(=O)c1ccco1 ZINC000170910403 134879475 /nfs/dbraw/zinc/87/94/75/134879475.db2.gz FREPMOLEGYTYHT-UHFFFAOYSA-N 1 0 224.264 -0.114 20 30 BBEDRO CN(C)C(=[NH+]CCNS(C)(=O)=O)N(C)C ZINC000170910545 643086818 /nfs/dbraw/zinc/08/68/18/643086818.db2.gz ZLOOIVSROLACDP-UHFFFAOYSA-N 1 0 236.341 -0.985 20 30 BBEDRO CC[C@](C)(O)CNC(=[NH2+])N1CCOCC1 ZINC000170912648 640938231 /nfs/dbraw/zinc/93/82/31/640938231.db2.gz RRTJQDSHUYQISX-JTQLQIEISA-N 1 0 215.297 -0.206 20 30 BBEDRO CC[C@@](C)(O)CNC(=[NH2+])N1CCOCC1 ZINC000170912650 640937764 /nfs/dbraw/zinc/93/77/64/640937764.db2.gz RRTJQDSHUYQISX-SNVBAGLBSA-N 1 0 215.297 -0.206 20 30 BBEDRO CN(C)C(=[NH2+])NCCC(=O)N1CCN(C)CC1 ZINC000170912726 633176693 /nfs/dbraw/zinc/17/66/93/633176693.db2.gz NFUMGRSOMHUQGS-UHFFFAOYSA-N 1 0 241.339 -0.973 20 30 BBEDRO CN(C)C(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000170912858 640937836 /nfs/dbraw/zinc/93/78/36/640937836.db2.gz ZYILSTNXLIBYRE-UHFFFAOYSA-N 1 0 228.340 -0.027 20 30 BBEDRO CN(C)C(=[NH2+])NCCNC(=O)c1cccnc1 ZINC000170912939 385456021 /nfs/dbraw/zinc/45/60/21/385456021.db2.gz LFOBZDGIRQQGSV-UHFFFAOYSA-N 1 0 235.291 -0.312 20 30 BBEDRO CC(C)NS(=O)(=O)CCNC(=[NH2+])N(C)C ZINC000170913041 640938043 /nfs/dbraw/zinc/93/80/43/640938043.db2.gz IHLAGJOFBPXHQL-UHFFFAOYSA-N 1 0 236.341 -0.810 20 30 BBEDRO COCCN(C)CCNC(=[NH2+])N(C)C ZINC000170913521 633179315 /nfs/dbraw/zinc/17/93/15/633179315.db2.gz MCXCQYOXACIZIO-UHFFFAOYSA-N 1 0 202.302 -0.559 20 30 BBEDRO CN(C)C(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000170913531 134255633 /nfs/dbraw/zinc/25/56/33/134255633.db2.gz IXAWZJJEDQXRNT-UHFFFAOYSA-N 1 0 221.264 -0.104 20 30 BBEDRO CCS(=O)(=O)NCCCNC(=[NH2+])N(C)C ZINC000170913583 633178903 /nfs/dbraw/zinc/17/89/03/633178903.db2.gz XPKDNFLYKWOLIT-UHFFFAOYSA-N 1 0 236.341 -0.808 20 30 BBEDRO CN(C)C(=[NH2+])NCC(=O)N1CCCCC1 ZINC000170913667 134255663 /nfs/dbraw/zinc/25/56/63/134255663.db2.gz LUWWMDKDKBTGHS-UHFFFAOYSA-N 1 0 212.297 -0.125 20 30 BBEDRO COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N(C)C ZINC000170914722 633178998 /nfs/dbraw/zinc/17/89/98/633178998.db2.gz KRSUZTKMAIKUJH-JTQLQIEISA-N 1 0 228.340 -0.027 20 30 BBEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N(C)C ZINC000170914723 633178161 /nfs/dbraw/zinc/17/81/61/633178161.db2.gz KRSUZTKMAIKUJH-SNVBAGLBSA-N 1 0 228.340 -0.027 20 30 BBEDRO CN(C)C(=[NH2+])NCCN1CCOCC1(C)C ZINC000170914929 640938471 /nfs/dbraw/zinc/93/84/71/640938471.db2.gz CXYFBILYCLXMIU-UHFFFAOYSA-N 1 0 228.340 -0.027 20 30 BBEDRO CNC(NCCS(=O)(=O)NC(C)C)=[NH+]C ZINC000171042447 640952905 /nfs/dbraw/zinc/95/29/05/640952905.db2.gz CYPNMRJVSGBKLY-UHFFFAOYSA-N 1 0 236.341 -0.891 20 30 BBEDRO C=CCNC(=[NH2+])NCCS(=O)(=O)NC(C)C ZINC000171042462 385464496 /nfs/dbraw/zinc/46/44/96/385464496.db2.gz AOMCFWPPOYGMCU-UHFFFAOYSA-N 1 0 248.352 -0.596 20 30 BBEDRO CC(C)NS(=O)(=O)CCNC(=[NH2+])NC1CC1 ZINC000171042500 134256513 /nfs/dbraw/zinc/25/65/13/134256513.db2.gz VHDOSHCPNYWOCL-UHFFFAOYSA-N 1 0 248.352 -0.619 20 30 BBEDRO COCC[N@H+](C)CCNC(=O)CSCC#N ZINC000171138734 372353456 /nfs/dbraw/zinc/35/34/56/372353456.db2.gz XEXNTIRXZXAWJE-UHFFFAOYSA-N 1 0 245.348 -0.062 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCCNS(C)(=O)=O ZINC000171145454 640959161 /nfs/dbraw/zinc/95/91/61/640959161.db2.gz DJTPBYIYUWQPQS-SSDOTTSWSA-N 1 0 236.341 -0.762 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCCNS(C)(=O)=O ZINC000171145457 640958736 /nfs/dbraw/zinc/95/87/36/640958736.db2.gz DJTPBYIYUWQPQS-ZETCQYMHSA-N 1 0 236.341 -0.762 20 30 BBEDRO NC(=[NH2+])NCCN1c2ccccc2CC1=O ZINC000171145821 134881119 /nfs/dbraw/zinc/88/11/19/134881119.db2.gz SYFMLARAQGVTBB-UHFFFAOYSA-N 1 0 218.260 -0.151 20 30 BBEDRO CC1(C)CN(CCNC(N)=[NH2+])CCO1 ZINC000171146056 134257209 /nfs/dbraw/zinc/25/72/09/134257209.db2.gz LZQRLHWGSUOSDS-UHFFFAOYSA-N 1 0 200.286 -0.629 20 30 BBEDRO CNC(NCCN1CCOC(C)(C)C1)=[NH+]C ZINC000171146143 640961378 /nfs/dbraw/zinc/96/13/78/640961378.db2.gz TUSBCEUQPWEETA-UHFFFAOYSA-N 1 0 228.340 -0.108 20 30 BBEDRO C#CCNC(=O)NCC[N@@H+](C)CCOC ZINC000171189171 187389655 /nfs/dbraw/zinc/38/96/55/187389655.db2.gz QIOIZFAINNZRNP-UHFFFAOYSA-N 1 0 213.281 -0.503 20 30 BBEDRO CNC(=O)CNC(NCc1ccco1)=[NH+]C ZINC000171408510 385483736 /nfs/dbraw/zinc/48/37/36/385483736.db2.gz KGGKNBQAGVPYTA-UHFFFAOYSA-N 1 0 224.264 -0.309 20 30 BBEDRO C[NH+]=C(NCC(=O)NC(C)C)NC1CC1 ZINC000171408709 134258037 /nfs/dbraw/zinc/25/80/37/134258037.db2.gz RVAOFJUAHQGTJU-UHFFFAOYSA-N 1 0 212.297 -0.162 20 30 BBEDRO C=CC[NH+]1CCC(NC(=O)CNC(C)=O)CC1 ZINC000171566222 166352035 /nfs/dbraw/zinc/35/20/35/166352035.db2.gz URWYMNBYUSGADM-UHFFFAOYSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CC[NH+]1CCC(NC(=O)NCCO)CC1 ZINC000171736922 166352581 /nfs/dbraw/zinc/35/25/81/166352581.db2.gz FDJSGNHUMDWLMZ-UHFFFAOYSA-N 1 0 227.308 -0.072 20 30 BBEDRO N#CCNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171746739 384655334 /nfs/dbraw/zinc/65/53/34/384655334.db2.gz ANPQLTLOWZPASA-SNVBAGLBSA-N 1 0 222.292 -0.594 20 30 BBEDRO N#CCNC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000171746742 388132755 /nfs/dbraw/zinc/13/27/55/388132755.db2.gz ANPQLTLOWZPASA-JTQLQIEISA-N 1 0 222.292 -0.594 20 30 BBEDRO C#CCSCCNC(=[NH2+])NCCOC ZINC000172550010 384606150 /nfs/dbraw/zinc/60/61/50/384606150.db2.gz NHUDBUDBEJEABM-UHFFFAOYSA-N 1 0 215.322 -0.097 20 30 BBEDRO N#CCNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000172801566 388171020 /nfs/dbraw/zinc/17/10/20/388171020.db2.gz ZFVGVZDBUSNFSK-NSHDSACASA-N 1 0 236.319 -0.204 20 30 BBEDRO CC#CCN1CCO[C@H](CNC(C)=O)C1 ZINC000172827070 187227420 /nfs/dbraw/zinc/22/74/20/187227420.db2.gz JDRRPTUMTUTOCJ-LLVKDONJSA-N 1 0 210.277 -0.153 20 30 BBEDRO N#CCSCCC[NH+](CCO)CCO ZINC000173882364 384276510 /nfs/dbraw/zinc/27/65/10/384276510.db2.gz HYXRKSKPKIFNIU-UHFFFAOYSA-N 1 0 218.322 -0.080 20 30 BBEDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC000173913170 134276769 /nfs/dbraw/zinc/27/67/69/134276769.db2.gz UPNFJLOGVDUUDG-NSHDSACASA-N 1 0 238.335 -0.100 20 30 BBEDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)NCC#N)C1 ZINC000173913184 134276244 /nfs/dbraw/zinc/27/62/44/134276244.db2.gz UPNFJLOGVDUUDG-LLVKDONJSA-N 1 0 238.335 -0.100 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC#N)CC1 ZINC000174344865 384323413 /nfs/dbraw/zinc/32/34/13/384323413.db2.gz QHZUJGYBGOYKJI-LLVKDONJSA-N 1 0 236.319 -0.252 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC#N)CC1 ZINC000174344881 388395400 /nfs/dbraw/zinc/39/54/00/388395400.db2.gz QHZUJGYBGOYKJI-NSHDSACASA-N 1 0 236.319 -0.252 20 30 BBEDRO C#CCNC(=O)NCC[N@@H+](C)CCCOC ZINC000174519714 387903662 /nfs/dbraw/zinc/90/36/62/387903662.db2.gz RVSWFEJRQIBIMU-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO C#CCN(CC#C)CC(=O)NC(=O)NC ZINC000174527186 187227656 /nfs/dbraw/zinc/22/76/56/187227656.db2.gz JLYRSVYOGSVQLJ-UHFFFAOYSA-N 1 0 207.233 -0.990 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175229224 388427158 /nfs/dbraw/zinc/42/71/58/388427158.db2.gz AXEZCMVQAQVCKE-SNVBAGLBSA-N 1 0 239.319 -0.124 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175229244 388427876 /nfs/dbraw/zinc/42/78/76/388427876.db2.gz AXEZCMVQAQVCKE-JTQLQIEISA-N 1 0 239.319 -0.124 20 30 BBEDRO CNC(=[NH2+])NCCn1c2ccccc2[nH]c1=O ZINC000175672444 384942543 /nfs/dbraw/zinc/94/25/43/384942543.db2.gz ZZUYLHRKABAMHX-UHFFFAOYSA-N 1 0 233.275 -0.136 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000176364382 187228676 /nfs/dbraw/zinc/22/86/76/187228676.db2.gz ZUVVPGXXDIGQJA-UWVGGRQHSA-N 1 0 239.319 -0.562 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000176364397 188253068 /nfs/dbraw/zinc/25/30/68/188253068.db2.gz ZUVVPGXXDIGQJA-ZJUUUORDSA-N 1 0 239.319 -0.562 20 30 BBEDRO C=C(C)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000177109417 188079787 /nfs/dbraw/zinc/07/97/87/188079787.db2.gz GHKNXTSGSYXHFJ-SECBINFHSA-N 1 0 223.276 -0.795 20 30 BBEDRO N#CCNC(=O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000177124673 134295723 /nfs/dbraw/zinc/29/57/23/134295723.db2.gz PLLNZOQNNHTVOO-UHFFFAOYSA-N 1 0 238.291 -0.596 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@](C)(CC)C(N)=O ZINC000177138963 206006378 /nfs/dbraw/zinc/00/63/78/206006378.db2.gz GDAMOPNGLNLBDF-JTQLQIEISA-N 1 0 213.281 -0.468 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@](C)(CC)C(N)=O ZINC000177138976 384883894 /nfs/dbraw/zinc/88/38/94/384883894.db2.gz GDAMOPNGLNLBDF-SNVBAGLBSA-N 1 0 213.281 -0.468 20 30 BBEDRO CN(CCC#N)Cc1cc(=O)n(C)c(=O)n1C ZINC000177188202 384897371 /nfs/dbraw/zinc/89/73/71/384897371.db2.gz LEKPKQKTDFZCCF-UHFFFAOYSA-N 1 0 236.275 -0.571 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@](C)(CCO)COC ZINC000177408089 385006117 /nfs/dbraw/zinc/00/61/17/385006117.db2.gz GOJQFFZHMMRJDI-LLVKDONJSA-N 1 0 230.308 -0.334 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@](C)(CCO)COC ZINC000177408108 385004851 /nfs/dbraw/zinc/00/48/51/385004851.db2.gz GOJQFFZHMMRJDI-NSHDSACASA-N 1 0 230.308 -0.334 20 30 BBEDRO COC(=O)CC(C)(C)[NH2+]CC(=O)NCC#N ZINC000177920949 633091889 /nfs/dbraw/zinc/09/18/89/633091889.db2.gz WFFCKQRSAGZIEF-UHFFFAOYSA-N 1 0 227.264 -0.443 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@](C)(O)C1 ZINC000178025451 134302524 /nfs/dbraw/zinc/30/25/24/134302524.db2.gz CWXAPOULCIHMMR-NSHDSACASA-N 1 0 241.291 -0.545 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000178025456 134302509 /nfs/dbraw/zinc/30/25/09/134302509.db2.gz CWXAPOULCIHMMR-LLVKDONJSA-N 1 0 241.291 -0.545 20 30 BBEDRO C[C@H](CNC(=[NH2+])N(C)C)CN1CCOCC1 ZINC000178564733 635504532 /nfs/dbraw/zinc/50/45/32/635504532.db2.gz QTKLXRBDJKANSA-SNVBAGLBSA-N 1 0 228.340 -0.169 20 30 BBEDRO C#CCSCCNC(=[NH2+])N1CCOCC1 ZINC000178581690 533200948 /nfs/dbraw/zinc/20/09/48/533200948.db2.gz CCAARKXLMQPOQV-UHFFFAOYSA-N 1 0 227.333 0.000 20 30 BBEDRO CNC(NC1CN(C(=O)OC)C1)=[NH+]C ZINC000178995790 346969879 /nfs/dbraw/zinc/96/98/79/346969879.db2.gz RAOVPUXVCDFDLC-UHFFFAOYSA-N 1 0 200.242 -0.768 20 30 BBEDRO C=CCNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000178995803 346969544 /nfs/dbraw/zinc/96/95/44/346969544.db2.gz YPIGTWVLGYCQKP-UHFFFAOYSA-N 1 0 212.253 -0.473 20 30 BBEDRO COC(=O)N1CC(NC(=[NH2+])NC2CC2)C1 ZINC000178995845 388508583 /nfs/dbraw/zinc/50/85/83/388508583.db2.gz IINLKTFFMBWNTA-UHFFFAOYSA-N 1 0 212.253 -0.496 20 30 BBEDRO C[NH+]=C(NC1CC1)NC1CN(C(=O)OC)C1 ZINC000178995967 526344807 /nfs/dbraw/zinc/34/48/07/526344807.db2.gz XDSRYACJAZIPJX-UHFFFAOYSA-N 1 0 226.280 -0.236 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179014837 388508147 /nfs/dbraw/zinc/50/81/47/388508147.db2.gz GIUHANDUDBHXOD-ZETCQYMHSA-N 1 0 244.295 -0.624 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179014847 229541181 /nfs/dbraw/zinc/54/11/81/229541181.db2.gz GIUHANDUDBHXOD-SSDOTTSWSA-N 1 0 244.295 -0.624 20 30 BBEDRO COC(=O)N1CC(NC(=[NH2+])NCC(C)C)C1 ZINC000179014860 388508184 /nfs/dbraw/zinc/50/81/84/388508184.db2.gz VMRKFCPBFDONOJ-UHFFFAOYSA-N 1 0 228.296 -0.003 20 30 BBEDRO COC(=O)N1CC(NC(=[NH2+])N2CCOCC2)C1 ZINC000179015005 388507990 /nfs/dbraw/zinc/50/79/90/388507990.db2.gz PYTRCWCVJRYLPB-UHFFFAOYSA-N 1 0 242.279 -0.916 20 30 BBEDRO CCCNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179015148 388508056 /nfs/dbraw/zinc/50/80/56/388508056.db2.gz AIJAYPZFWFVTSQ-UHFFFAOYSA-N 1 0 214.269 -0.249 20 30 BBEDRO COC(=O)N1CC(NC(=[NH2+])N(C)C)C1 ZINC000179015200 388508551 /nfs/dbraw/zinc/50/85/51/388508551.db2.gz FJWUSOMMOOSVQY-UHFFFAOYSA-N 1 0 200.242 -0.687 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179015285 388508110 /nfs/dbraw/zinc/50/81/10/388508110.db2.gz UHLDHLUFNWGBME-UHFFFAOYSA-N 1 0 226.280 -0.083 20 30 BBEDRO C#CC[N@H+](C)CCCNS(C)(=O)=O ZINC000179026352 188252885 /nfs/dbraw/zinc/25/28/85/188252885.db2.gz QISFOCWDPHFLMP-UHFFFAOYSA-N 1 0 204.295 -0.509 20 30 BBEDRO C[NH+](C)CCCNC(=O)Cn1ccnc1C#N ZINC000180057403 366366576 /nfs/dbraw/zinc/36/65/76/366366576.db2.gz WYPKJLIDZYRFEV-UHFFFAOYSA-N 1 0 235.291 -0.177 20 30 BBEDRO C[NH+](C)CCNS(=O)(=O)CC1(C#N)CC1 ZINC000180381170 535891255 /nfs/dbraw/zinc/89/12/55/535891255.db2.gz MBMSSWBFJFDSGE-UHFFFAOYSA-N 1 0 231.321 -0.229 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](CO)C(C)C ZINC000180615878 206010568 /nfs/dbraw/zinc/01/05/68/206010568.db2.gz AHUNMMQHRWFWIS-SECBINFHSA-N 1 0 200.282 -0.105 20 30 BBEDRO C=C(C)C[N@@H+](C)CC(=O)NCC(=O)OC ZINC000181276413 533494980 /nfs/dbraw/zinc/49/49/80/533494980.db2.gz AJZOYVQBHXJUDC-UHFFFAOYSA-N 1 0 214.265 -0.217 20 30 BBEDRO C=C(C)CN(C)CC(=O)N1CCNC(=O)C1 ZINC000181285602 386346828 /nfs/dbraw/zinc/34/68/28/386346828.db2.gz JYWCVQJNALVSIE-UHFFFAOYSA-N 1 0 225.292 -0.547 20 30 BBEDRO COCCNC(=[NH2+])NCCCn1ccnn1 ZINC000181375205 642866316 /nfs/dbraw/zinc/86/63/16/642866316.db2.gz UJTFLDYSPJGGGS-UHFFFAOYSA-N 1 0 226.284 -0.781 20 30 BBEDRO C=CCNC(=[NH2+])NCCCn1ccnn1 ZINC000181375230 642866749 /nfs/dbraw/zinc/86/67/49/642866749.db2.gz BKSUNYUSPFESJZ-UHFFFAOYSA-N 1 0 208.269 -0.242 20 30 BBEDRO C[NH+]=C(NCCCn1ccnn1)NC1CC1 ZINC000181375479 642866744 /nfs/dbraw/zinc/86/67/44/642866744.db2.gz ZRJTVJFCOQZXCG-UHFFFAOYSA-N 1 0 222.296 -0.004 20 30 BBEDRO COCCN(C)CCNC(=[NH2+])N(C)C1CC1 ZINC000181472919 642875447 /nfs/dbraw/zinc/87/54/47/642875447.db2.gz MGIOPIZJCWJFFC-UHFFFAOYSA-N 1 0 228.340 -0.027 20 30 BBEDRO COC(=O)N1CC(NC(=[NH2+])N(C)C2CC2)C1 ZINC000181484192 322972304 /nfs/dbraw/zinc/97/23/04/322972304.db2.gz ZSCMYXSLYJMCGO-UHFFFAOYSA-N 1 0 226.280 -0.154 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCCn1ccnn1 ZINC000181493317 642877319 /nfs/dbraw/zinc/87/73/19/642877319.db2.gz PKYKXTJPBNLLBN-VIFPVBQESA-N 1 0 240.311 -0.393 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCCCn1ccnn1 ZINC000181493336 642877130 /nfs/dbraw/zinc/87/71/30/642877130.db2.gz PKYKXTJPBNLLBN-SECBINFHSA-N 1 0 240.311 -0.393 20 30 BBEDRO [NH2+]=C(NCC1(CO)CCC1)N1CCOCC1 ZINC000181501058 642878631 /nfs/dbraw/zinc/87/86/31/642878631.db2.gz KHJIZWMEVOKNFP-UHFFFAOYSA-N 1 0 227.308 -0.204 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[N@@H+](CC)C1CC1 ZINC000181610253 353427080 /nfs/dbraw/zinc/42/70/80/353427080.db2.gz INOYMZMOBXMLNN-UHFFFAOYSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H](CC)[NH+](C)C ZINC000181653569 353430654 /nfs/dbraw/zinc/43/06/54/353430654.db2.gz FQHUEGNFLCEYQJ-VIFPVBQESA-N 1 0 227.308 -0.255 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000181653588 353430503 /nfs/dbraw/zinc/43/05/03/353430503.db2.gz FQHUEGNFLCEYQJ-SECBINFHSA-N 1 0 227.308 -0.255 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[N@@H+](C)C(C)C ZINC000181658254 353430672 /nfs/dbraw/zinc/43/06/72/353430672.db2.gz ZUJKJRUBEWYYCT-UHFFFAOYSA-N 1 0 227.308 -0.255 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[NH+](CC)CC ZINC000181695237 353438190 /nfs/dbraw/zinc/43/81/90/353438190.db2.gz LQWKIGWCGXQHKJ-UHFFFAOYSA-N 1 0 227.308 -0.253 20 30 BBEDRO C#CC[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000181950604 385447064 /nfs/dbraw/zinc/44/70/64/385447064.db2.gz KCEPEJDYOWRALW-JTQLQIEISA-N 1 0 210.277 -0.120 20 30 BBEDRO C#CC[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000181950624 385446694 /nfs/dbraw/zinc/44/66/94/385446694.db2.gz KCEPEJDYOWRALW-SNVBAGLBSA-N 1 0 210.277 -0.120 20 30 BBEDRO COCCNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000182073017 642949959 /nfs/dbraw/zinc/94/99/59/642949959.db2.gz RIELCIGVNKGSGH-UHFFFAOYSA-N 1 0 228.296 -0.937 20 30 BBEDRO COCCNC(=[NH2+])NCCOC(C)C ZINC000182190043 642970426 /nfs/dbraw/zinc/97/04/26/642970426.db2.gz WONDFLLAEGRZTM-UHFFFAOYSA-N 1 0 203.286 -0.038 20 30 BBEDRO CN(C)C(=[NH2+])NCCNC(=O)c1ccn[nH]1 ZINC000182372159 347093236 /nfs/dbraw/zinc/09/32/36/347093236.db2.gz PCJLSWQOALZEFP-UHFFFAOYSA-N 1 0 224.268 -0.984 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[NH2+]C1CC1 ZINC000183070460 366974222 /nfs/dbraw/zinc/97/42/22/366974222.db2.gz TVYVAKQNMKMENA-UHFFFAOYSA-N 1 0 211.265 -0.843 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000183070534 134350607 /nfs/dbraw/zinc/35/06/07/134350607.db2.gz NGUMJWHEBBPSPC-SCZZXKLOSA-N 1 0 227.308 -0.222 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000183070553 134350828 /nfs/dbraw/zinc/35/08/28/134350828.db2.gz NGUMJWHEBBPSPC-WPRPVWTQSA-N 1 0 227.308 -0.222 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000183070571 134350435 /nfs/dbraw/zinc/35/04/35/134350435.db2.gz NGUMJWHEBBPSPC-PSASIEDQSA-N 1 0 227.308 -0.222 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000183070590 134350507 /nfs/dbraw/zinc/35/05/07/134350507.db2.gz NGUMJWHEBBPSPC-WCBMZHEXSA-N 1 0 227.308 -0.222 20 30 BBEDRO COC[C@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC000183436604 385550787 /nfs/dbraw/zinc/55/07/87/385550787.db2.gz WRFUODAOVFFOSC-VIFPVBQESA-N 1 0 211.265 -0.359 20 30 BBEDRO COC[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC000183436622 385549811 /nfs/dbraw/zinc/54/98/11/385549811.db2.gz WRFUODAOVFFOSC-SECBINFHSA-N 1 0 211.265 -0.359 20 30 BBEDRO COCCNC(=[NH2+])NCCC1(C)OCCO1 ZINC000183644848 633986295 /nfs/dbraw/zinc/98/62/95/633986295.db2.gz ABUDTCUJPMRFFA-UHFFFAOYSA-N 1 0 231.296 -0.310 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000183655821 534859499 /nfs/dbraw/zinc/85/94/99/534859499.db2.gz CEOTYTSBSREDSE-JTQLQIEISA-N 1 0 227.308 -0.351 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183655835 134355204 /nfs/dbraw/zinc/35/52/04/134355204.db2.gz CEOTYTSBSREDSE-SNVBAGLBSA-N 1 0 227.308 -0.351 20 30 BBEDRO CNC(NCCCOCCOCCOC)=[NH+]C ZINC000183888364 643177318 /nfs/dbraw/zinc/17/73/18/643177318.db2.gz JRVHFTMINDEENP-UHFFFAOYSA-N 1 0 247.339 -0.149 20 30 BBEDRO CNC(=[NH2+])NCCCOCCOCCOC ZINC000183888387 643177631 /nfs/dbraw/zinc/17/76/31/643177631.db2.gz ZXOMYGIHSDKRRN-UHFFFAOYSA-N 1 0 233.312 -0.410 20 30 BBEDRO C=CCNC(=O)NCC[N@H+](CC)CCO ZINC000183903809 386555962 /nfs/dbraw/zinc/55/59/62/386555962.db2.gz MWJAVTPUPGKWQU-UHFFFAOYSA-N 1 0 215.297 -0.214 20 30 BBEDRO CC[N@H+](CCO)CCNC(=O)C(C)(C)C#N ZINC000183989982 388573236 /nfs/dbraw/zinc/57/32/36/388573236.db2.gz VHTRPMRDZQHJBS-UHFFFAOYSA-N 1 0 227.308 -0.033 20 30 BBEDRO C[NH+]=C(NCC(F)(F)CO)NC1CC1 ZINC000184815382 643241242 /nfs/dbraw/zinc/24/12/42/643241242.db2.gz DHQQDGGUBCWGDE-UHFFFAOYSA-N 1 0 207.224 -0.059 20 30 BBEDRO [NH2+]=C(NCC(F)(F)CO)N1CCSCC1 ZINC000184822929 181179817 /nfs/dbraw/zinc/17/98/17/181179817.db2.gz SAPIWTOAZWJPNL-UHFFFAOYSA-N 1 0 239.291 -0.023 20 30 BBEDRO [NH2+]=C(NCC(F)(F)CO)N1CCOCC1 ZINC000184823254 181179667 /nfs/dbraw/zinc/17/96/67/181179667.db2.gz JJJNQWSHYUYDKI-UHFFFAOYSA-N 1 0 223.223 -0.739 20 30 BBEDRO CCOCCCNC(=[NH2+])NCC(F)(F)CO ZINC000184823411 643243248 /nfs/dbraw/zinc/24/32/48/643243248.db2.gz YJVCHMBAEJMJHK-UHFFFAOYSA-N 1 0 239.266 -0.055 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000184847578 134369210 /nfs/dbraw/zinc/36/92/10/134369210.db2.gz ZMKOOGKRVNBAPU-VHSXEESVSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000184847596 534859832 /nfs/dbraw/zinc/85/98/32/534859832.db2.gz ZMKOOGKRVNBAPU-UWVGGRQHSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000184847614 134369322 /nfs/dbraw/zinc/36/93/22/134369322.db2.gz ZMKOOGKRVNBAPU-NXEZZACHSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000184847637 534859549 /nfs/dbraw/zinc/85/95/49/534859549.db2.gz ZMKOOGKRVNBAPU-ZJUUUORDSA-N 1 0 239.319 -0.078 20 30 BBEDRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)NCC#N ZINC000185362519 134377235 /nfs/dbraw/zinc/37/72/35/134377235.db2.gz PNQKSHLYFCXDFE-JTQLQIEISA-N 1 0 227.308 -0.035 20 30 BBEDRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)NCC#N ZINC000185362538 134377191 /nfs/dbraw/zinc/37/71/91/134377191.db2.gz PNQKSHLYFCXDFE-SNVBAGLBSA-N 1 0 227.308 -0.035 20 30 BBEDRO C#C[C@H](C)NC(=O)NCC[N@@H+](C)CCOC ZINC000186113545 353866761 /nfs/dbraw/zinc/86/67/61/353866761.db2.gz ZYNMARVVVPKECF-JTQLQIEISA-N 1 0 227.308 -0.115 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCC[N@@H+](C)CCOC ZINC000186113566 386729675 /nfs/dbraw/zinc/72/96/75/386729675.db2.gz ZYNMARVVVPKECF-SNVBAGLBSA-N 1 0 227.308 -0.115 20 30 BBEDRO C=CCNC(=O)C[NH2+]C(C)(C)CC(N)=O ZINC000186215010 385749943 /nfs/dbraw/zinc/74/99/43/385749943.db2.gz BXSLVCUHRXJCQH-UHFFFAOYSA-N 1 0 213.281 -0.468 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186524106 353869732 /nfs/dbraw/zinc/86/97/32/353869732.db2.gz WMSVKRDFXKINDH-DCAQKATOSA-N 1 0 215.293 -0.259 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186524122 133676704 /nfs/dbraw/zinc/67/67/04/133676704.db2.gz WMSVKRDFXKINDH-AXFHLTTASA-N 1 0 215.293 -0.259 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186532194 353869993 /nfs/dbraw/zinc/86/99/93/353869993.db2.gz XHKGLUFGTNMXHN-GUBZILKMSA-N 1 0 228.292 -0.895 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186532215 353869909 /nfs/dbraw/zinc/86/99/09/353869909.db2.gz XHKGLUFGTNMXHN-UTLUCORTSA-N 1 0 228.292 -0.895 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186782262 384002008 /nfs/dbraw/zinc/00/20/08/384002008.db2.gz ZHZUGRVGVNOCPO-JTQLQIEISA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186782278 166181475 /nfs/dbraw/zinc/18/14/75/166181475.db2.gz ZHZUGRVGVNOCPO-SNVBAGLBSA-N 1 0 224.304 -0.171 20 30 BBEDRO CN(CC[N@H+](C)C1CC1)CC(=O)NCC#N ZINC000186785776 387133784 /nfs/dbraw/zinc/13/37/84/387133784.db2.gz BVFYKDAPLAQXKD-UHFFFAOYSA-N 1 0 224.308 -0.348 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)CC1(CO)CC1 ZINC000186810330 384021310 /nfs/dbraw/zinc/02/13/10/384021310.db2.gz UXVRPGISWLHBOE-UHFFFAOYSA-N 1 0 211.265 -0.670 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)CC1(CO)CC1 ZINC000186818439 385799382 /nfs/dbraw/zinc/79/93/82/385799382.db2.gz HVYUVYMMGOVOIC-UHFFFAOYSA-N 1 0 212.293 -0.007 20 30 BBEDRO CC1(C)[C@H](NC(=[NH2+])N2CCOCC2)C[C@@H]1O ZINC000186873475 168002005 /nfs/dbraw/zinc/00/20/05/168002005.db2.gz OBEZRGGEJQOWQA-BDAKNGLRSA-N 1 0 227.308 -0.207 20 30 BBEDRO CC1(C)[C@@H](O)C[C@@H]1NC(=[NH2+])N1CCOCC1 ZINC000186873493 168000131 /nfs/dbraw/zinc/00/01/31/168000131.db2.gz OBEZRGGEJQOWQA-IUCAKERBSA-N 1 0 227.308 -0.207 20 30 BBEDRO CC1(C)[C@H](O)C[C@H]1NC(=[NH2+])N1CCOCC1 ZINC000186873507 168006894 /nfs/dbraw/zinc/00/68/94/168006894.db2.gz OBEZRGGEJQOWQA-RKDXNWHRSA-N 1 0 227.308 -0.207 20 30 BBEDRO CC1(C)[C@H](O)C[C@@H]1NC(=[NH2+])N1CCOCC1 ZINC000186873524 644149727 /nfs/dbraw/zinc/14/97/27/644149727.db2.gz OBEZRGGEJQOWQA-DTWKUNHWSA-N 1 0 227.308 -0.207 20 30 BBEDRO CCN(C)C(=O)CNC(=[NH2+])NCCOC ZINC000186889218 644153407 /nfs/dbraw/zinc/15/34/07/644153407.db2.gz DUEQAICULHIDBV-UHFFFAOYSA-N 1 0 216.285 -0.985 20 30 BBEDRO CCN(C)C(=O)CNC(NC1CC1)=[NH+]C ZINC000186889389 634087141 /nfs/dbraw/zinc/08/71/41/634087141.db2.gz RWVPDRDWKDXJCS-UHFFFAOYSA-N 1 0 212.297 -0.208 20 30 BBEDRO C#C[C@@H](C)NC(NCCN1CCOCC1)=[NH+]C ZINC000187047281 634093546 /nfs/dbraw/zinc/09/35/46/634093546.db2.gz AADXOGRYHYGEKU-LLVKDONJSA-N 1 0 238.335 -0.495 20 30 BBEDRO C#C[C@H](C)NC(=[NH2+])NCCCN1CCOCC1 ZINC000187048725 347248221 /nfs/dbraw/zinc/24/82/21/347248221.db2.gz ZISONYSYXOCHAY-NSHDSACASA-N 1 0 238.335 -0.365 20 30 BBEDRO C#C[C@@H](C)NC(=[NH2+])NCCCN1CCOCC1 ZINC000187048741 134936645 /nfs/dbraw/zinc/93/66/45/134936645.db2.gz ZISONYSYXOCHAY-LLVKDONJSA-N 1 0 238.335 -0.365 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(=O)N(C)CC ZINC000187051949 347248200 /nfs/dbraw/zinc/24/82/00/347248200.db2.gz NRZCSQBHRKGADQ-UHFFFAOYSA-N 1 0 212.297 -0.055 20 30 BBEDRO CCN(C)C(=O)CNC(=[NH2+])N1CCSCC1 ZINC000187052375 644201168 /nfs/dbraw/zinc/20/11/68/644201168.db2.gz WMECAETZQCJTNS-UHFFFAOYSA-N 1 0 244.364 -0.172 20 30 BBEDRO CCCNC(=[NH2+])NCC(=O)N(C)CC ZINC000187052624 644533309 /nfs/dbraw/zinc/53/33/09/644533309.db2.gz QVKHARHCJWJOAT-UHFFFAOYSA-N 1 0 200.286 -0.221 20 30 BBEDRO CCOCCCNC(=[NH2+])NCC(=O)N(C)CC ZINC000187052717 644202969 /nfs/dbraw/zinc/20/29/69/644202969.db2.gz GRDDSDCFTYBLGB-UHFFFAOYSA-N 1 0 244.339 -0.204 20 30 BBEDRO CCN(C)C(=O)C[NH+]=C(N(C)C)N(C)C ZINC000187052741 644202822 /nfs/dbraw/zinc/20/28/22/644202822.db2.gz SCBULPVRVWLRCQ-UHFFFAOYSA-N 1 0 214.313 -0.056 20 30 BBEDRO CCN(C)C(=O)CNC(=[NH2+])N(C)C1CC1 ZINC000187053184 133446685 /nfs/dbraw/zinc/44/66/85/133446685.db2.gz IYMSCDRCOVKFII-UHFFFAOYSA-N 1 0 212.297 -0.126 20 30 BBEDRO CCN(C)C(=O)CNC(=[NH2+])N[C@@H](C)COC ZINC000187053215 634093600 /nfs/dbraw/zinc/09/36/00/634093600.db2.gz VESQSHYWFBIQQV-QMMMGPOBSA-N 1 0 230.312 -0.596 20 30 BBEDRO CCN(C)C(=O)CNC(=[NH2+])N[C@H](C)COC ZINC000187053229 644202482 /nfs/dbraw/zinc/20/24/82/644202482.db2.gz VESQSHYWFBIQQV-MRVPVSSYSA-N 1 0 230.312 -0.596 20 30 BBEDRO CCN(C)C(=O)CNC(=[NH2+])N1CCOCC1 ZINC000187053517 644202791 /nfs/dbraw/zinc/20/27/91/644202791.db2.gz BRHITPBWFQEWRI-UHFFFAOYSA-N 1 0 228.296 -0.888 20 30 BBEDRO CC[C@@H](CO)NC(=[NH2+])N1CCOCC1 ZINC000187141614 634096554 /nfs/dbraw/zinc/09/65/54/634096554.db2.gz UEGACVJOCNJJCZ-QMMMGPOBSA-N 1 0 201.270 -0.596 20 30 BBEDRO C=CC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000187688062 347262665 /nfs/dbraw/zinc/26/26/65/347262665.db2.gz GDPMNPVOMHZVAB-UHFFFAOYSA-N 1 0 223.276 -0.298 20 30 BBEDRO CC[N@H+](CCC(=O)N(C)CCC#N)CC(N)=O ZINC000188461832 347281082 /nfs/dbraw/zinc/28/10/82/347281082.db2.gz VHSNSLXBJUQMMJ-UHFFFAOYSA-N 1 0 240.307 -0.444 20 30 BBEDRO C=CCC[C@@H](O)CN1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000188597945 537877510 /nfs/dbraw/zinc/87/75/10/537877510.db2.gz WPJWSLDIQIULNG-OUAUKWLOSA-N 1 0 243.303 -0.078 20 30 BBEDRO C#CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188839957 641771530 /nfs/dbraw/zinc/77/15/30/641771530.db2.gz VPUPQMQNEDHWSU-UHFFFAOYSA-N 1 0 204.233 -0.582 20 30 BBEDRO C#CCSCCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000189269927 166202758 /nfs/dbraw/zinc/20/27/58/166202758.db2.gz NJAGIDOZABSLRF-VHSXEESVSA-N 1 0 242.344 -0.154 20 30 BBEDRO C=CCNC(=O)CN1CCCNC(=O)[C@@H]1C ZINC000189310035 357630639 /nfs/dbraw/zinc/63/06/39/357630639.db2.gz AXTQSOCUSCWZAN-VIFPVBQESA-N 1 0 225.292 -0.501 20 30 BBEDRO C=CC[N@H+](CCOC)CCN1C(=O)CNC1=O ZINC000189422140 166342004 /nfs/dbraw/zinc/34/20/04/166342004.db2.gz PJKACOVGLQYQRT-UHFFFAOYSA-N 1 0 241.291 -0.327 20 30 BBEDRO C=CC[N@@H+](CCCS(N)(=O)=O)CCOC ZINC000189422471 357640513 /nfs/dbraw/zinc/64/05/13/357640513.db2.gz QCMBAELIMVZUMK-UHFFFAOYSA-N 1 0 236.337 -0.201 20 30 BBEDRO [NH2+]=C(NCCOCC(F)F)N1CCOCC1 ZINC000189575151 136372122 /nfs/dbraw/zinc/37/21/22/136372122.db2.gz WXDALSQMAKEGLR-UHFFFAOYSA-N 1 0 237.250 -0.085 20 30 BBEDRO Cn1cc(C[NH2+]CCOCCO)cc1C#N ZINC000189579867 397798354 /nfs/dbraw/zinc/79/83/54/397798354.db2.gz ZSANWVMEIDIXDY-UHFFFAOYSA-N 1 0 223.276 -0.005 20 30 BBEDRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)NCC#N ZINC000189656427 357656070 /nfs/dbraw/zinc/65/60/70/357656070.db2.gz FBBXBJGMSNJNIX-LLVKDONJSA-N 1 0 225.292 -0.137 20 30 BBEDRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)NCC#N ZINC000189656439 357655791 /nfs/dbraw/zinc/65/57/91/357655791.db2.gz FBBXBJGMSNJNIX-NSHDSACASA-N 1 0 225.292 -0.137 20 30 BBEDRO C=CC[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000189705719 166322586 /nfs/dbraw/zinc/32/25/86/166322586.db2.gz PZYLFQAQKQDTNJ-UHFFFAOYSA-N 1 0 223.276 -0.298 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000189733139 166368689 /nfs/dbraw/zinc/36/86/89/166368689.db2.gz PNDGDAWNEGIEEL-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000189733157 166368402 /nfs/dbraw/zinc/36/84/02/166368402.db2.gz PNDGDAWNEGIEEL-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1CO ZINC000189733642 386085197 /nfs/dbraw/zinc/08/51/97/386085197.db2.gz LDYYPNYFFAZMBQ-RKDXNWHRSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1CO ZINC000189733658 386085433 /nfs/dbraw/zinc/08/54/33/386085433.db2.gz LDYYPNYFFAZMBQ-DTWKUNHWSA-N 1 0 211.265 -0.671 20 30 BBEDRO CC(C)(O)C[N@H+](CC(=O)NCC#N)C1CC1 ZINC000189918303 357676736 /nfs/dbraw/zinc/67/67/36/357676736.db2.gz PJQMJMRPTMENPR-UHFFFAOYSA-N 1 0 225.292 -0.139 20 30 BBEDRO C=CCNC(=O)C[N@@H+](CCO)CCCOC ZINC000189921782 166366977 /nfs/dbraw/zinc/36/69/77/166366977.db2.gz GLVLCKPCTAKZFL-UHFFFAOYSA-N 1 0 230.308 -0.381 20 30 BBEDRO CCNC(NCCS(=O)(=O)NC)=[NH+]CC ZINC000190086534 641832756 /nfs/dbraw/zinc/83/27/56/641832756.db2.gz MRDSMSSSJPHBPR-UHFFFAOYSA-N 1 0 236.341 -0.889 20 30 BBEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CO ZINC000190847919 176283383 /nfs/dbraw/zinc/28/33/83/176283383.db2.gz BRIUVKCLHIRPKP-BDAKNGLRSA-N 1 0 211.265 -0.814 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190876478 353415055 /nfs/dbraw/zinc/41/50/55/353415055.db2.gz QPZGOECUBAOBDQ-VWYCJHECSA-N 1 0 224.304 -0.316 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190876496 353415558 /nfs/dbraw/zinc/41/55/58/353415558.db2.gz QPZGOECUBAOBDQ-MXWKQRLJSA-N 1 0 224.304 -0.316 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190880981 386743809 /nfs/dbraw/zinc/74/38/09/386743809.db2.gz PJGZWLRNQONLRY-UWVGGRQHSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190880997 386744411 /nfs/dbraw/zinc/74/44/11/386744411.db2.gz PJGZWLRNQONLRY-VHSXEESVSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190890334 353415279 /nfs/dbraw/zinc/41/52/79/353415279.db2.gz ORLNIRWYZZWHLC-ZJUUUORDSA-N 1 0 212.293 -0.151 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000191020084 357743889 /nfs/dbraw/zinc/74/38/89/357743889.db2.gz VRUCPYIRSRBFQU-UHFFFAOYSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=CC[N@@H+](CCOC)CCC(=O)NC(=O)NC ZINC000191081404 357748332 /nfs/dbraw/zinc/74/83/32/357748332.db2.gz BBBNKWRXUGEAMV-UHFFFAOYSA-N 1 0 243.307 -0.034 20 30 BBEDRO C=CC[N@H+](CCOC)CCC(=O)NC(N)=O ZINC000191095888 357749804 /nfs/dbraw/zinc/74/98/04/357749804.db2.gz JMWCZPDDRIYTCY-UHFFFAOYSA-N 1 0 229.280 -0.294 20 30 BBEDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NCC#N ZINC000191138678 386763836 /nfs/dbraw/zinc/76/38/36/386763836.db2.gz JXTKFRXSAUULHE-IUCAKERBSA-N 1 0 225.292 -0.140 20 30 BBEDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NCC#N ZINC000191138695 386764210 /nfs/dbraw/zinc/76/42/10/386764210.db2.gz JXTKFRXSAUULHE-RKDXNWHRSA-N 1 0 225.292 -0.140 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000191780258 388670215 /nfs/dbraw/zinc/67/02/15/388670215.db2.gz VTSLFTJQFDPNAL-OUAUKWLOSA-N 1 0 240.303 -0.794 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1C[C@H](CO)O[C@@H](C)C1 ZINC000191780270 388670414 /nfs/dbraw/zinc/67/04/14/388670414.db2.gz VTSLFTJQFDPNAL-GARJFASQSA-N 1 0 240.303 -0.794 20 30 BBEDRO C#CCN(C)CC(=O)NC(=O)NCCC ZINC000192221741 347370434 /nfs/dbraw/zinc/37/04/34/347370434.db2.gz HNKZDOXJBWZKDH-UHFFFAOYSA-N 1 0 211.265 -0.213 20 30 BBEDRO C#CCN(C)[C@@H](C)C(=O)NC(=O)NCC=C ZINC000192222417 347370420 /nfs/dbraw/zinc/37/04/20/347370420.db2.gz UBPLPUINFUSWKC-VIFPVBQESA-N 1 0 223.276 -0.048 20 30 BBEDRO C#CCN(C)CC(=O)NC1CCOCC1 ZINC000192222715 388677086 /nfs/dbraw/zinc/67/70/86/388677086.db2.gz JYSFAHQHIVYJSJ-UHFFFAOYSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)CC ZINC000192223929 353538100 /nfs/dbraw/zinc/53/81/00/353538100.db2.gz CMRKXKKGZRWMMQ-UHFFFAOYSA-N 1 0 218.322 -0.119 20 30 BBEDRO C#CC[N@@H+](C)CCc1cn(CC(=O)OC)nn1 ZINC000192229158 487991854 /nfs/dbraw/zinc/99/18/54/487991854.db2.gz XRKRTSBRNBVGPX-UHFFFAOYSA-N 1 0 236.275 -0.441 20 30 BBEDRO C#CC[N@H+](C)CCCN1C(=O)CNC1=O ZINC000192230502 355961943 /nfs/dbraw/zinc/96/19/43/355961943.db2.gz DCDJFWYIFXGDNI-UHFFFAOYSA-N 1 0 209.249 -0.507 20 30 BBEDRO C#CC[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000192233132 491121007 /nfs/dbraw/zinc/12/10/07/491121007.db2.gz BJFPTKWIWHULBH-UHFFFAOYSA-N 1 0 223.276 -0.118 20 30 BBEDRO C#CC[N@H+](C)CCC(=O)N1CCOCC1 ZINC000192235528 398107106 /nfs/dbraw/zinc/10/71/06/398107106.db2.gz JMQGBGBCWFMBAE-UHFFFAOYSA-N 1 0 210.277 -0.200 20 30 BBEDRO C#CC[N@@H+](C)CCC(=O)NCC(=O)OC ZINC000192235660 353538453 /nfs/dbraw/zinc/53/84/53/353538453.db2.gz KPXOGHUJVKZLKC-UHFFFAOYSA-N 1 0 212.249 -0.769 20 30 BBEDRO C#CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000192235808 166159074 /nfs/dbraw/zinc/15/90/74/166159074.db2.gz HMKSMKUTEZNVGC-JTQLQIEISA-N 1 0 238.247 -0.283 20 30 BBEDRO C#CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000192235813 411062035 /nfs/dbraw/zinc/06/20/35/411062035.db2.gz HMKSMKUTEZNVGC-SNVBAGLBSA-N 1 0 238.247 -0.283 20 30 BBEDRO CC#CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192647525 353561883 /nfs/dbraw/zinc/56/18/83/353561883.db2.gz FIDXHDHZXPGYHN-LLVKDONJSA-N 1 0 221.260 -0.316 20 30 BBEDRO CC#CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192647542 353561595 /nfs/dbraw/zinc/56/15/95/353561595.db2.gz FIDXHDHZXPGYHN-NSHDSACASA-N 1 0 221.260 -0.316 20 30 BBEDRO C#CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192654053 388681252 /nfs/dbraw/zinc/68/12/52/388681252.db2.gz ZRUIPUUXBIBBIO-SNVBAGLBSA-N 1 0 207.233 -0.706 20 30 BBEDRO C#CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192654066 388681451 /nfs/dbraw/zinc/68/14/51/388681451.db2.gz ZRUIPUUXBIBBIO-JTQLQIEISA-N 1 0 207.233 -0.706 20 30 BBEDRO C=CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192660337 353562266 /nfs/dbraw/zinc/56/22/66/353562266.db2.gz BWBSHHWOSWRSDX-SNVBAGLBSA-N 1 0 209.249 -0.154 20 30 BBEDRO C=CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192660349 353562470 /nfs/dbraw/zinc/56/24/70/353562470.db2.gz BWBSHHWOSWRSDX-JTQLQIEISA-N 1 0 209.249 -0.154 20 30 BBEDRO C#CCN(C)S(=O)(=O)CC[NH+]1CCCC1 ZINC000192947406 388690568 /nfs/dbraw/zinc/69/05/68/388690568.db2.gz RBTXDTKQKCMQPQ-UHFFFAOYSA-N 1 0 230.333 -0.023 20 30 BBEDRO [NH2+]=C(NCCCCCO)N1CCOCC1 ZINC000193020265 644208642 /nfs/dbraw/zinc/20/86/42/644208642.db2.gz UGYCXZSEBSKYKJ-UHFFFAOYSA-N 1 0 215.297 -0.204 20 30 BBEDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC000193112839 356701298 /nfs/dbraw/zinc/70/12/98/356701298.db2.gz DLJISPFUOYRYGX-MRVPVSSYSA-N 1 0 213.281 -0.377 20 30 BBEDRO C=CCN(CC(=O)OCC)C(=O)C[NH2+]C ZINC000193138452 644215466 /nfs/dbraw/zinc/21/54/66/644215466.db2.gz JCFMEBATWVOYDS-UHFFFAOYSA-N 1 0 214.265 -0.217 20 30 BBEDRO C=CCCS(=O)(=O)NCC[NH2+]CCOC ZINC000193365015 357008102 /nfs/dbraw/zinc/00/81/02/357008102.db2.gz PFWHLPGRKNVNPL-UHFFFAOYSA-N 1 0 236.337 -0.282 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193612996 387858186 /nfs/dbraw/zinc/85/81/86/387858186.db2.gz XTMWQQSESXWGSS-PHIMTYICSA-N 1 0 223.320 -0.218 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193626958 387858930 /nfs/dbraw/zinc/85/89/30/387858930.db2.gz GXJCXXNTTZZYIO-SDDRHHMPSA-N 1 0 235.331 -0.382 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193626973 387860235 /nfs/dbraw/zinc/86/02/35/387860235.db2.gz GXJCXXNTTZZYIO-UTUOFQBUSA-N 1 0 235.331 -0.382 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193629996 534859886 /nfs/dbraw/zinc/85/98/86/534859886.db2.gz UQPAECWRJPCBFA-PSASIEDQSA-N 1 0 225.292 -0.597 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193630008 534859563 /nfs/dbraw/zinc/85/95/63/534859563.db2.gz UQPAECWRJPCBFA-WCBMZHEXSA-N 1 0 225.292 -0.597 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193630022 357261401 /nfs/dbraw/zinc/26/14/01/357261401.db2.gz UQPAECWRJPCBFA-SCZZXKLOSA-N 1 0 225.292 -0.597 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193630032 136228869 /nfs/dbraw/zinc/22/88/69/136228869.db2.gz UQPAECWRJPCBFA-WPRPVWTQSA-N 1 0 225.292 -0.597 20 30 BBEDRO CNC(=O)C=C(N)NOCC[NH+]1CCCCC1 ZINC000194402611 644317660 /nfs/dbraw/zinc/31/76/60/644317660.db2.gz BRTQESUBGXDTMX-UHFFFAOYSA-N 1 0 242.323 -0.103 20 30 BBEDRO CNC(=O)CNC(=[NH2+])N1CCC(C)CC1 ZINC000194684777 136221182 /nfs/dbraw/zinc/22/11/82/136221182.db2.gz UXQBDTJPIPDGQH-UHFFFAOYSA-N 1 0 212.297 -0.221 20 30 BBEDRO C[NH+](C)CCNC(=O)C1CCN(CC#N)CC1 ZINC000195519201 259608048 /nfs/dbraw/zinc/60/80/48/259608048.db2.gz FWHRFHQCBIJSSI-UHFFFAOYSA-N 1 0 238.335 -0.100 20 30 BBEDRO COCCNC(=[NH2+])NCC(=O)NC(C)C ZINC000195522099 634365476 /nfs/dbraw/zinc/36/54/76/634365476.db2.gz DAVXPIJMEMZMFD-UHFFFAOYSA-N 1 0 216.285 -0.938 20 30 BBEDRO CNC(=[NH2+])NCc1ccnc(N2CCOCC2)c1 ZINC000195522286 712730772 /nfs/dbraw/zinc/73/07/72/712730772.db2.gz XUFOZFWAPCYOIS-UHFFFAOYSA-N 1 0 249.318 -0.048 20 30 BBEDRO C=CCNC(=[NH2+])NCCNC(=O)c1cccnc1 ZINC000195522456 534520638 /nfs/dbraw/zinc/52/06/38/534520638.db2.gz WUDBKYJZSCQBMN-UHFFFAOYSA-N 1 0 247.302 -0.098 20 30 BBEDRO COCCCCNC(=[NH2+])NCCOC ZINC000195522515 634364991 /nfs/dbraw/zinc/36/49/91/634364991.db2.gz MZWIZUOKEJPLJK-UHFFFAOYSA-N 1 0 203.286 -0.036 20 30 BBEDRO NC(=[NH2+])NCCN1C(=O)c2ccccc2C1=O ZINC000195522802 134166707 /nfs/dbraw/zinc/16/67/07/134166707.db2.gz RPEPKMVMFXVEPM-UHFFFAOYSA-N 1 0 232.243 -0.444 20 30 BBEDRO CNC(NCC(=O)NCC(F)(F)F)=[NH+]C ZINC000195522831 134844245 /nfs/dbraw/zinc/84/42/45/134844245.db2.gz QRUSYYDBTSXZCJ-UHFFFAOYSA-N 1 0 226.202 -0.540 20 30 BBEDRO C=CCNC(=[NH2+])NCC(=O)NCC(F)(F)F ZINC000195522833 347457550 /nfs/dbraw/zinc/45/75/50/347457550.db2.gz IRKKEWKMTGKTIV-UHFFFAOYSA-N 1 0 238.213 -0.245 20 30 BBEDRO [NH2+]=C(NCC(=O)NCC(F)(F)F)NC1CC1 ZINC000195522835 134844175 /nfs/dbraw/zinc/84/41/75/134844175.db2.gz CMMBOKCFXUNHSD-UHFFFAOYSA-N 1 0 238.213 -0.268 20 30 BBEDRO CNC(NCCC(=O)N1CCOCC1)=[NH+]C ZINC000195522895 712730802 /nfs/dbraw/zinc/73/08/02/712730802.db2.gz QHFHQYHFBSWYSF-UHFFFAOYSA-N 1 0 228.296 -0.970 20 30 BBEDRO C=CCNC(=[NH2+])NCCC(=O)N1CCOCC1 ZINC000195522898 347456989 /nfs/dbraw/zinc/45/69/89/347456989.db2.gz AJYRPZZLHONVDN-UHFFFAOYSA-N 1 0 240.307 -0.674 20 30 BBEDRO CNC(NCCCC(=O)N(C)C)=[NH+]C ZINC000195522935 712730597 /nfs/dbraw/zinc/73/05/97/712730597.db2.gz WWOCBTJHZTUTCA-UHFFFAOYSA-N 1 0 200.286 -0.350 20 30 BBEDRO C=CCNC(=[NH2+])NCCCC(=O)N(C)C ZINC000195522937 134962507 /nfs/dbraw/zinc/96/25/07/134962507.db2.gz DNKUIVKNOWRBIO-UHFFFAOYSA-N 1 0 212.297 -0.055 20 30 BBEDRO COCCNC(=[NH2+])NCCCC(=O)N(C)C ZINC000195522938 712730810 /nfs/dbraw/zinc/73/08/10/712730810.db2.gz RXVZOHVTJZSANR-UHFFFAOYSA-N 1 0 230.312 -0.595 20 30 BBEDRO CN(C)C(=O)CCCNC(=[NH2+])NC1CC1 ZINC000195522939 712730538 /nfs/dbraw/zinc/73/05/38/712730538.db2.gz UNAOYRKAKWWROR-UHFFFAOYSA-N 1 0 212.297 -0.079 20 30 BBEDRO COCCNC(=[NH2+])NCC1CCOCC1 ZINC000195522972 634364492 /nfs/dbraw/zinc/36/44/92/634364492.db2.gz YDFHLDAOLDXYEJ-UHFFFAOYSA-N 1 0 215.297 -0.036 20 30 BBEDRO COCCNC(=[NH2+])NC[C@@H]1CCCOC1 ZINC000195522989 174303948 /nfs/dbraw/zinc/30/39/48/174303948.db2.gz LWWKOCVHHHPGBC-VIFPVBQESA-N 1 0 215.297 -0.036 20 30 BBEDRO COCCNC(=[NH2+])NC[C@H]1CCCOC1 ZINC000195522990 174303861 /nfs/dbraw/zinc/30/38/61/174303861.db2.gz LWWKOCVHHHPGBC-SECBINFHSA-N 1 0 215.297 -0.036 20 30 BBEDRO [NH2+]=C(NCCn1cccn1)NC[C@@H]1CCCO1 ZINC000195523059 181179490 /nfs/dbraw/zinc/17/94/90/181179490.db2.gz MSAIBAISPNDVFM-JTQLQIEISA-N 1 0 237.307 -0.034 20 30 BBEDRO [NH2+]=C(NCCn1cccn1)NC[C@H]1CCCO1 ZINC000195523060 181179169 /nfs/dbraw/zinc/17/91/69/181179169.db2.gz MSAIBAISPNDVFM-SNVBAGLBSA-N 1 0 237.307 -0.034 20 30 BBEDRO COCCNC(=[NH2+])NC[C@H](C)COC ZINC000195523291 712730655 /nfs/dbraw/zinc/73/06/55/712730655.db2.gz OLOQUGDZEYPZNJ-QMMMGPOBSA-N 1 0 203.286 -0.180 20 30 BBEDRO COCCNC(=[NH2+])NC[C@@H](C)COC ZINC000195523292 644393418 /nfs/dbraw/zinc/39/34/18/644393418.db2.gz OLOQUGDZEYPZNJ-MRVPVSSYSA-N 1 0 203.286 -0.180 20 30 BBEDRO CN(C)C(=O)CC[NH+]=C(N(C)C)N(C)C ZINC000198725805 643898061 /nfs/dbraw/zinc/89/80/61/643898061.db2.gz LTCSEMDAFHQFND-UHFFFAOYSA-N 1 0 214.313 -0.056 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000216497869 353719884 /nfs/dbraw/zinc/71/98/84/353719884.db2.gz CYXKNJTWBFYWSA-NXEZZACHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000216497911 353719949 /nfs/dbraw/zinc/71/99/49/353719949.db2.gz CYXKNJTWBFYWSA-VHSXEESVSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CO)C1 ZINC000216499320 355987949 /nfs/dbraw/zinc/98/79/49/355987949.db2.gz QWIQJBAPAQDRGP-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CO)C1 ZINC000216499366 355989450 /nfs/dbraw/zinc/98/94/50/355989450.db2.gz QWIQJBAPAQDRGP-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO N#CCNC(=O)C[N@@H+](CCO)C1CCC1 ZINC000221178745 134317092 /nfs/dbraw/zinc/31/70/92/134317092.db2.gz LNTJKKAKEMSSNT-UHFFFAOYSA-N 1 0 211.265 -0.527 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CCO)C1CCC1 ZINC000221182712 592398674 /nfs/dbraw/zinc/39/86/74/592398674.db2.gz XYXPMUQVXNPKLA-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO N#CCCNC(=O)C[N@@H+](CCO)C1CCC1 ZINC000221190528 592398992 /nfs/dbraw/zinc/39/89/92/592398992.db2.gz FBVBSNRKWPADFQ-UHFFFAOYSA-N 1 0 225.292 -0.137 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H](C[NH3+])C1 ZINC000224224319 166389427 /nfs/dbraw/zinc/38/94/27/166389427.db2.gz NWFIRVMRLFMZOT-UWVGGRQHSA-N 1 0 211.309 -0.042 20 30 BBEDRO COCCN(CCC#N)C(=O)C[NH+](C)C ZINC000224930849 363987022 /nfs/dbraw/zinc/98/70/22/363987022.db2.gz BSCNWVGEVBYQLC-UHFFFAOYSA-N 1 0 213.281 -0.063 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000225715138 345173374 /nfs/dbraw/zinc/17/33/74/345173374.db2.gz ZZVUYWVDCHLSSF-NXEZZACHSA-N 1 0 238.287 -0.381 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000225715163 350370542 /nfs/dbraw/zinc/37/05/42/350370542.db2.gz ZZVUYWVDCHLSSF-VHSXEESVSA-N 1 0 238.287 -0.381 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000225773628 711829518 /nfs/dbraw/zinc/82/95/18/711829518.db2.gz HKFQPYQBNZVZMZ-SNVBAGLBSA-N 1 0 237.303 -0.806 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000225773648 711829609 /nfs/dbraw/zinc/82/96/09/711829609.db2.gz HKFQPYQBNZVZMZ-JTQLQIEISA-N 1 0 237.303 -0.806 20 30 BBEDRO C#CCNC(=O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000225775811 640711042 /nfs/dbraw/zinc/71/10/42/640711042.db2.gz YPRUFRWBYLDYOJ-SNVBAGLBSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000225775830 640711127 /nfs/dbraw/zinc/71/11/27/640711127.db2.gz YPRUFRWBYLDYOJ-JTQLQIEISA-N 1 0 224.304 -0.171 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000225977515 388695047 /nfs/dbraw/zinc/69/50/47/388695047.db2.gz SJKGPJBYXPDCDJ-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000225977525 388695356 /nfs/dbraw/zinc/69/53/56/388695356.db2.gz SJKGPJBYXPDCDJ-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000225979370 388694876 /nfs/dbraw/zinc/69/48/76/388694876.db2.gz USASRQFIKUTOMY-NXEZZACHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000225979384 384918559 /nfs/dbraw/zinc/91/85/59/384918559.db2.gz USASRQFIKUTOMY-VHSXEESVSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000226206462 388710772 /nfs/dbraw/zinc/71/07/72/388710772.db2.gz LGEOHTPXXHKYKT-MWLCHTKSSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000226206473 388710450 /nfs/dbraw/zinc/71/04/50/388710450.db2.gz LGEOHTPXXHKYKT-GXSJLCMTSA-N 1 0 210.277 -0.419 20 30 BBEDRO C[C@@]1(O)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000226213347 640738748 /nfs/dbraw/zinc/73/87/48/640738748.db2.gz JNBYYUFEDIDSJV-SNVBAGLBSA-N 1 0 211.265 -0.527 20 30 BBEDRO C[C@]1(O)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000226213360 641599599 /nfs/dbraw/zinc/59/95/99/641599599.db2.gz JNBYYUFEDIDSJV-JTQLQIEISA-N 1 0 211.265 -0.527 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CC[C@@H]([NH2+]C)C1 ZINC000226412871 388718465 /nfs/dbraw/zinc/71/84/65/388718465.db2.gz MAIJUASAMWLCSN-NXEZZACHSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]([NH2+]C)C1 ZINC000226412876 388718170 /nfs/dbraw/zinc/71/81/70/388718170.db2.gz MAIJUASAMWLCSN-VHSXEESVSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000226420685 134365820 /nfs/dbraw/zinc/36/58/20/134365820.db2.gz QYWZLNFDNNNPQS-GHMZBOCLSA-N 1 0 241.335 -0.273 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000226420692 398339792 /nfs/dbraw/zinc/33/97/92/398339792.db2.gz QYWZLNFDNNNPQS-MNOVXSKESA-N 1 0 241.335 -0.273 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069201 363226979 /nfs/dbraw/zinc/22/69/79/363226979.db2.gz FBUVCPLEWFUIKK-VHSXEESVSA-N 1 0 211.309 -0.042 20 30 BBEDRO C#CCNC(=O)C[N@H+](C)CCCCCO ZINC000227112098 640815522 /nfs/dbraw/zinc/81/55/22/640815522.db2.gz POPUJWVZSBNDBP-UHFFFAOYSA-N 1 0 212.293 -0.170 20 30 BBEDRO C[N@H+](CCCCCO)CC(=O)NCC#N ZINC000227113903 134372762 /nfs/dbraw/zinc/37/27/62/134372762.db2.gz SKWGQEHGYCSRGE-UHFFFAOYSA-N 1 0 213.281 -0.279 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCCC#N)[C@@H]1CO ZINC000227185744 640817952 /nfs/dbraw/zinc/81/79/52/640817952.db2.gz AEISCKNSUOQANG-NXEZZACHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NCCC#N)[C@@H]1CO ZINC000227185751 640818246 /nfs/dbraw/zinc/81/82/46/640818246.db2.gz AEISCKNSUOQANG-VHSXEESVSA-N 1 0 225.292 -0.281 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000227188934 640817477 /nfs/dbraw/zinc/81/74/77/640817477.db2.gz IFAQIZZVFLEQSC-ZJUUUORDSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000227188936 640818447 /nfs/dbraw/zinc/81/84/47/640818447.db2.gz IFAQIZZVFLEQSC-UWVGGRQHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000227193827 134375059 /nfs/dbraw/zinc/37/50/59/134375059.db2.gz PNDGDAWNEGIEEL-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000227193834 134375215 /nfs/dbraw/zinc/37/52/15/134375215.db2.gz PNDGDAWNEGIEEL-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO CC(C)(O)C(C)(C)[NH2+]CC(=O)NCC#N ZINC000227347338 388748737 /nfs/dbraw/zinc/74/87/37/388748737.db2.gz HCGHYLKZXUHUOI-UHFFFAOYSA-N 1 0 213.281 -0.235 20 30 BBEDRO CO[C@@H](C[NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000227395900 711832322 /nfs/dbraw/zinc/83/23/22/711832322.db2.gz BHMHAOAQSRRIGH-JTQLQIEISA-N 1 0 240.307 -0.982 20 30 BBEDRO C[C@@H](C#N)S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000227914517 358366371 /nfs/dbraw/zinc/36/63/71/358366371.db2.gz XQUHBJWFXPBBAA-DTWKUNHWSA-N 1 0 249.336 -0.870 20 30 BBEDRO C[C@H](C#N)S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000227914522 358366362 /nfs/dbraw/zinc/36/63/62/358366362.db2.gz XQUHBJWFXPBBAA-RKDXNWHRSA-N 1 0 249.336 -0.870 20 30 BBEDRO C[C@@H](C#N)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000227914526 358366563 /nfs/dbraw/zinc/36/65/63/358366563.db2.gz XQUHBJWFXPBBAA-IUCAKERBSA-N 1 0 249.336 -0.870 20 30 BBEDRO C[C@H](C#N)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000227914530 358366861 /nfs/dbraw/zinc/36/68/61/358366861.db2.gz XQUHBJWFXPBBAA-BDAKNGLRSA-N 1 0 249.336 -0.870 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000228072445 640858910 /nfs/dbraw/zinc/85/89/10/640858910.db2.gz CRJJQXAYAVUFCV-GFCCVEGCSA-N 1 0 237.303 -0.806 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000228072458 640858529 /nfs/dbraw/zinc/85/85/29/640858529.db2.gz CRJJQXAYAVUFCV-LBPRGKRZSA-N 1 0 237.303 -0.806 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228100922 387076949 /nfs/dbraw/zinc/07/69/49/387076949.db2.gz NJTKTMHBVCNMJF-HBNTYKKESA-N 1 0 224.304 -0.009 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228108151 259356211 /nfs/dbraw/zinc/35/62/11/259356211.db2.gz DPDXWXICOUEQIZ-NNYUYHANSA-N 1 0 236.315 -0.173 20 30 BBEDRO C#CC[C@H](C)NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000228960435 134439395 /nfs/dbraw/zinc/43/93/95/134439395.db2.gz JXBBACWVFIYCDD-LPEHRKFASA-N 1 0 210.277 -0.109 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CCO[C@@H](C[NH3+])C1 ZINC000228977444 134769944 /nfs/dbraw/zinc/76/99/44/134769944.db2.gz LNYJVUMFVXPYPH-ZJUUUORDSA-N 1 0 227.308 -0.663 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCO[C@@H](C[NH3+])C1 ZINC000228977455 345425128 /nfs/dbraw/zinc/42/51/28/345425128.db2.gz LNYJVUMFVXPYPH-UWVGGRQHSA-N 1 0 227.308 -0.663 20 30 BBEDRO CC[NH+]1CCN(CCNC(=O)CC#N)CC1 ZINC000229009708 521681788 /nfs/dbraw/zinc/68/17/88/521681788.db2.gz ZMKGOBIIZDPIIA-UHFFFAOYSA-N 1 0 224.308 -0.346 20 30 BBEDRO C=C[C@@H](C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000229221026 487895107 /nfs/dbraw/zinc/89/51/07/487895107.db2.gz GMHNSMPZJXKURS-SSDOTTSWSA-N 1 0 209.253 -0.459 20 30 BBEDRO C=C[C@H](C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000229221039 487895498 /nfs/dbraw/zinc/89/54/98/487895498.db2.gz GMHNSMPZJXKURS-ZETCQYMHSA-N 1 0 209.253 -0.459 20 30 BBEDRO C=C[C@@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000229238056 640938108 /nfs/dbraw/zinc/93/81/08/640938108.db2.gz XEXDPMZSNVANPQ-MRVPVSSYSA-N 1 0 219.310 -0.700 20 30 BBEDRO C=C[C@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000229238064 640938094 /nfs/dbraw/zinc/93/80/94/640938094.db2.gz XEXDPMZSNVANPQ-QMMMGPOBSA-N 1 0 219.310 -0.700 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229579341 259641986 /nfs/dbraw/zinc/64/19/86/259641986.db2.gz VANJAPCODYFEKA-GARJFASQSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000229837970 632992637 /nfs/dbraw/zinc/99/26/37/632992637.db2.gz FDSJCDOVPZZAAI-GFCCVEGCSA-N 1 0 226.320 -0.318 20 30 BBEDRO C#CCCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000229837978 632992403 /nfs/dbraw/zinc/99/24/03/632992403.db2.gz FDSJCDOVPZZAAI-LBPRGKRZSA-N 1 0 226.320 -0.318 20 30 BBEDRO C#C[C@@H](CC)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000229895994 259643753 /nfs/dbraw/zinc/64/37/53/259643753.db2.gz BIXFWGVMSGFZRM-JTQLQIEISA-N 1 0 235.287 -0.415 20 30 BBEDRO C#C[C@H](CC)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000229895999 388804095 /nfs/dbraw/zinc/80/40/95/388804095.db2.gz BIXFWGVMSGFZRM-SNVBAGLBSA-N 1 0 235.287 -0.415 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229913254 136273671 /nfs/dbraw/zinc/27/36/71/136273671.db2.gz VCKTWENNYVZOEU-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229915156 640993964 /nfs/dbraw/zinc/99/39/64/640993964.db2.gz YBPOUONAQRPJRQ-VHSXEESVSA-N 1 0 210.277 -0.562 20 30 BBEDRO C[C@@H](C#N)C(=O)NCCOCC[NH+](C)C ZINC000230183435 388819610 /nfs/dbraw/zinc/81/96/10/388819610.db2.gz XUHCWHCDTQRWRA-VIFPVBQESA-N 1 0 213.281 -0.160 20 30 BBEDRO C[C@H](C#N)C(=O)NCCOCC[NH+](C)C ZINC000230183442 388819563 /nfs/dbraw/zinc/81/95/63/388819563.db2.gz XUHCWHCDTQRWRA-SECBINFHSA-N 1 0 213.281 -0.160 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)NCC[NH3+])s1 ZINC000230331611 358398018 /nfs/dbraw/zinc/39/80/18/358398018.db2.gz FZKJOCOFAGRUNM-UHFFFAOYSA-N 1 0 231.302 -0.143 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)NC2C[NH2+]C2)s1 ZINC000230370097 358397845 /nfs/dbraw/zinc/39/78/45/358397845.db2.gz FHBSSQYCRDFWPP-UHFFFAOYSA-N 1 0 243.313 -0.130 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000230374461 641051509 /nfs/dbraw/zinc/05/15/09/641051509.db2.gz HSHQRYZLEIRBES-GFCCVEGCSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000230374463 641050325 /nfs/dbraw/zinc/05/03/25/641050325.db2.gz HSHQRYZLEIRBES-LBPRGKRZSA-N 1 0 224.304 -0.027 20 30 BBEDRO C[C@@]1(O)CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000230375867 357531168 /nfs/dbraw/zinc/53/11/68/357531168.db2.gz OYJVRFPLRHJOCI-LLVKDONJSA-N 1 0 225.292 -0.137 20 30 BBEDRO C[C@]1(O)CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000230375869 357531310 /nfs/dbraw/zinc/53/13/10/357531310.db2.gz OYJVRFPLRHJOCI-NSHDSACASA-N 1 0 225.292 -0.137 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC[C@@H](C)O ZINC000231698389 363350257 /nfs/dbraw/zinc/35/02/57/363350257.db2.gz LTAICOSKQFIKSR-NXEZZACHSA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CCSCC[NH2+]CCS(C)(=O)=O ZINC000231946436 641218945 /nfs/dbraw/zinc/21/89/45/641218945.db2.gz OIUMKBKAHCUAQA-UHFFFAOYSA-N 1 0 221.347 -0.013 20 30 BBEDRO C#CCSCC[NH2+]C[C@@H](O)COC ZINC000231949710 641220739 /nfs/dbraw/zinc/22/07/39/641220739.db2.gz PBXWMSOMFCYVIQ-SECBINFHSA-N 1 0 203.307 -0.050 20 30 BBEDRO C#CCSCC[NH2+]C[C@H](O)COC ZINC000231949713 641220005 /nfs/dbraw/zinc/22/00/05/641220005.db2.gz PBXWMSOMFCYVIQ-VIFPVBQESA-N 1 0 203.307 -0.050 20 30 BBEDRO CNC(=O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232314032 398170627 /nfs/dbraw/zinc/17/06/27/398170627.db2.gz BWRKQXAQLVTVPG-UHFFFAOYSA-N 1 0 206.249 -0.268 20 30 BBEDRO COC[C@@H](O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315313 352618273 /nfs/dbraw/zinc/61/82/73/352618273.db2.gz VEUDLLULULZKNW-NSHDSACASA-N 1 0 223.276 -0.006 20 30 BBEDRO COC[C@H](O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315314 411495107 /nfs/dbraw/zinc/49/51/07/411495107.db2.gz VEUDLLULULZKNW-LLVKDONJSA-N 1 0 223.276 -0.006 20 30 BBEDRO Cn1cc(C[NH2+]C(CO)CO)cc1C#N ZINC000232315398 411495345 /nfs/dbraw/zinc/49/53/45/411495345.db2.gz XQSXXHPQCMDQST-UHFFFAOYSA-N 1 0 209.249 -0.660 20 30 BBEDRO Cn1cc(C[NH2+]C[C@@H](O)CO)cc1C#N ZINC000232315491 352618317 /nfs/dbraw/zinc/61/83/17/352618317.db2.gz GXCQXZHBSQKKQJ-SNVBAGLBSA-N 1 0 209.249 -0.660 20 30 BBEDRO Cn1cc(C[NH2+]C[C@H](O)CO)cc1C#N ZINC000232315493 398170535 /nfs/dbraw/zinc/17/05/35/398170535.db2.gz GXCQXZHBSQKKQJ-JTQLQIEISA-N 1 0 209.249 -0.660 20 30 BBEDRO C[NH2+]CCNS(=O)(=O)c1cccnc1C#N ZINC000234385093 343959659 /nfs/dbraw/zinc/95/96/59/343959659.db2.gz QEKGAOKYGHYCRK-UHFFFAOYSA-N 1 0 240.288 -0.549 20 30 BBEDRO C#CCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000234602832 388357801 /nfs/dbraw/zinc/35/78/01/388357801.db2.gz SNAIIRNWGFEUOD-UHFFFAOYSA-N 1 0 210.277 -0.248 20 30 BBEDRO COC[C@H](CO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000234786063 384000573 /nfs/dbraw/zinc/00/05/73/384000573.db2.gz BLFNVIMPUVBDEZ-JTQLQIEISA-N 1 0 223.276 -0.006 20 30 BBEDRO C[C@@H](C[NH3+])NS(=O)(=O)c1cccnc1C#N ZINC000235142015 631987148 /nfs/dbraw/zinc/98/71/48/631987148.db2.gz CIJOFFLZWSSYJG-ZETCQYMHSA-N 1 0 240.288 -0.421 20 30 BBEDRO C[C@@H]([NH3+])CNS(=O)(=O)c1cccnc1C#N ZINC000235178283 350712899 /nfs/dbraw/zinc/71/28/99/350712899.db2.gz PUJXJVWUGCRECQ-SSDOTTSWSA-N 1 0 240.288 -0.421 20 30 BBEDRO C[C@H](C[NH3+])NS(=O)(=O)c1cccnc1C#N ZINC000235457897 384406444 /nfs/dbraw/zinc/40/64/44/384406444.db2.gz CIJOFFLZWSSYJG-SSDOTTSWSA-N 1 0 240.288 -0.421 20 30 BBEDRO C[C@H]([NH3+])CNS(=O)(=O)c1cccnc1C#N ZINC000235488285 344923747 /nfs/dbraw/zinc/92/37/47/344923747.db2.gz PUJXJVWUGCRECQ-ZETCQYMHSA-N 1 0 240.288 -0.421 20 30 BBEDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)NCC#N ZINC000235594588 363448258 /nfs/dbraw/zinc/44/82/58/363448258.db2.gz BJYUMCRCBYTIQV-PSASIEDQSA-N 1 0 211.265 -0.217 20 30 BBEDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)NCC#N ZINC000235638578 363449500 /nfs/dbraw/zinc/44/95/00/363449500.db2.gz BJYUMCRCBYTIQV-SCZZXKLOSA-N 1 0 211.265 -0.217 20 30 BBEDRO N#Cc1ncccc1S(=O)(=O)NCC[NH3+] ZINC000236266014 343088590 /nfs/dbraw/zinc/08/85/90/343088590.db2.gz OUOSLBNRBUGSJI-UHFFFAOYSA-N 1 0 226.261 -0.810 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000236390066 384435346 /nfs/dbraw/zinc/43/53/46/384435346.db2.gz TXIJQWZKIZBGTK-MWLCHTKSSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000236390183 384434428 /nfs/dbraw/zinc/43/44/28/384434428.db2.gz TXIJQWZKIZBGTK-KOLCDFICSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000236391497 384441917 /nfs/dbraw/zinc/44/19/17/384441917.db2.gz TXIJQWZKIZBGTK-GXSJLCMTSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000236391612 384442109 /nfs/dbraw/zinc/44/21/09/384442109.db2.gz TXIJQWZKIZBGTK-ONGXEEELSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](O)C2)cc1 ZINC000236528525 181127450 /nfs/dbraw/zinc/12/74/50/181127450.db2.gz UNTJUUDWFCLIOE-CHWSQXEVSA-N 1 0 248.282 -0.026 20 30 BBEDRO N#Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000236528669 181142784 /nfs/dbraw/zinc/14/27/84/181142784.db2.gz IFEYJCRHVSKMLU-CHWSQXEVSA-N 1 0 248.282 -0.026 20 30 BBEDRO N#Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000236528731 181148652 /nfs/dbraw/zinc/14/86/52/181148652.db2.gz IDRRDLRFVTWALP-VXGBXAGGSA-N 1 0 248.282 -0.026 20 30 BBEDRO C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@@H](O)C1 ZINC000236573019 384524407 /nfs/dbraw/zinc/52/44/07/384524407.db2.gz MPOFVRFMIZKAPG-QWRGUYRKSA-N 1 0 240.303 -0.776 20 30 BBEDRO N#Cc1ccc(OCC[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000236586848 181127768 /nfs/dbraw/zinc/12/77/68/181127768.db2.gz UNTJUUDWFCLIOE-STQMWFEESA-N 1 0 248.282 -0.026 20 30 BBEDRO N#Cc1cccc(OCC[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000236587163 181142762 /nfs/dbraw/zinc/14/27/62/181142762.db2.gz IFEYJCRHVSKMLU-STQMWFEESA-N 1 0 248.282 -0.026 20 30 BBEDRO N#Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000236587191 181142613 /nfs/dbraw/zinc/14/26/13/181142613.db2.gz IFEYJCRHVSKMLU-BETUJISGSA-N 1 0 248.282 -0.026 20 30 BBEDRO N#Cc1ccccc1OCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000236587315 181149490 /nfs/dbraw/zinc/14/94/90/181149490.db2.gz IDRRDLRFVTWALP-RYUDHWBXSA-N 1 0 248.282 -0.026 20 30 BBEDRO N#Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000236587332 181149137 /nfs/dbraw/zinc/14/91/37/181149137.db2.gz IDRRDLRFVTWALP-TXEJJXNPSA-N 1 0 248.282 -0.026 20 30 BBEDRO N#Cc1ccc([C@H](O)C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000236589889 181129695 /nfs/dbraw/zinc/12/96/95/181129695.db2.gz PKTYRDPUQGXXLL-AGIUHOORSA-N 1 0 248.282 -0.371 20 30 BBEDRO N#Cc1ccc([C@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000236589911 181129836 /nfs/dbraw/zinc/12/98/36/181129836.db2.gz PKTYRDPUQGXXLL-UPJWGTAASA-N 1 0 248.282 -0.371 20 30 BBEDRO N#Cc1ccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000236590705 181130169 /nfs/dbraw/zinc/13/01/69/181130169.db2.gz PKTYRDPUQGXXLL-RWMBFGLXSA-N 1 0 248.282 -0.371 20 30 BBEDRO C=CCCS(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000236654540 134461894 /nfs/dbraw/zinc/46/18/94/134461894.db2.gz XFVIZFHBFHYSJZ-UHFFFAOYSA-N 1 0 247.364 -0.613 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000236664094 134831700 /nfs/dbraw/zinc/83/17/00/134831700.db2.gz QFAOVXSQGKEJQG-QMMMGPOBSA-N 1 0 211.265 -0.843 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000236664121 134831603 /nfs/dbraw/zinc/83/16/03/134831603.db2.gz QFAOVXSQGKEJQG-MRVPVSSYSA-N 1 0 211.265 -0.843 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000236675178 388381555 /nfs/dbraw/zinc/38/15/55/388381555.db2.gz PWEMWCSBTSYFRF-VIFPVBQESA-N 1 0 227.308 -0.222 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])CCCC ZINC000236731688 388382397 /nfs/dbraw/zinc/38/23/97/388382397.db2.gz NQEDPTUSQRZVNV-SECBINFHSA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])CCCC ZINC000236787385 388383569 /nfs/dbraw/zinc/38/35/69/388383569.db2.gz NQEDPTUSQRZVNV-VIFPVBQESA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])CCC ZINC000236843782 388384852 /nfs/dbraw/zinc/38/48/52/388384852.db2.gz CLGKAQYNWVYHRK-QMMMGPOBSA-N 1 0 213.281 -0.468 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])CCC ZINC000236936960 398118044 /nfs/dbraw/zinc/11/80/44/398118044.db2.gz CLGKAQYNWVYHRK-MRVPVSSYSA-N 1 0 213.281 -0.468 20 30 BBEDRO CC[NH2+]CCNS(=O)(=O)N(C)CCC#N ZINC000237016907 535476811 /nfs/dbraw/zinc/47/68/11/535476811.db2.gz QYPOLSYDNLXMPC-UHFFFAOYSA-N 1 0 234.325 -0.724 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000237194032 388391157 /nfs/dbraw/zinc/39/11/57/388391157.db2.gz ADCXFAMLDOTIBG-UHFFFAOYSA-N 1 0 246.336 -0.628 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000237194079 388391212 /nfs/dbraw/zinc/39/12/12/388391212.db2.gz CWYVFNZCTBKGPO-SECBINFHSA-N 1 0 246.336 -0.500 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NCC[NH2+]C1CC1 ZINC000237194321 351362077 /nfs/dbraw/zinc/36/20/77/351362077.db2.gz DTZAOMISPGDFQN-UHFFFAOYSA-N 1 0 246.336 -0.582 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237194681 388390940 /nfs/dbraw/zinc/39/09/40/388390940.db2.gz NFBUGXFLYAYELY-VIFPVBQESA-N 1 0 246.336 -0.596 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237194771 259681711 /nfs/dbraw/zinc/68/17/11/259681711.db2.gz GCORABJWWSHPEI-SECBINFHSA-N 1 0 246.336 -0.582 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000237194843 259681541 /nfs/dbraw/zinc/68/15/41/259681541.db2.gz NFBUGXFLYAYELY-SECBINFHSA-N 1 0 246.336 -0.596 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000237194915 259681549 /nfs/dbraw/zinc/68/15/49/259681549.db2.gz GCORABJWWSHPEI-VIFPVBQESA-N 1 0 246.336 -0.582 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237474574 136272270 /nfs/dbraw/zinc/27/22/70/136272270.db2.gz XYZYGSYDKBMSGT-GFCCVEGCSA-N 1 0 239.319 -0.206 20 30 BBEDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)N(C)CCC#N ZINC000237487132 136272335 /nfs/dbraw/zinc/27/23/35/136272335.db2.gz NLDRBRQWWJFLTH-QMMMGPOBSA-N 1 0 234.325 -0.644 20 30 BBEDRO C[C@H](C[NH3+])N(C)S(=O)(=O)N(C)CCC#N ZINC000237654441 134846419 /nfs/dbraw/zinc/84/64/19/134846419.db2.gz NLDRBRQWWJFLTH-MRVPVSSYSA-N 1 0 234.325 -0.644 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237740908 388398040 /nfs/dbraw/zinc/39/80/40/388398040.db2.gz XYZYGSYDKBMSGT-LBPRGKRZSA-N 1 0 239.319 -0.206 20 30 BBEDRO C=CCCS(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000237965834 534784549 /nfs/dbraw/zinc/78/45/49/534784549.db2.gz DPJNDVBJYVXJBB-MRVPVSSYSA-N 1 0 204.295 -0.075 20 30 BBEDRO CNC(NCCCN1CCOCC1)=[NH+]C ZINC000238321312 711889024 /nfs/dbraw/zinc/88/90/24/711889024.db2.gz RGNQHSXFHDXBIR-UHFFFAOYSA-N 1 0 214.313 -0.497 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)O ZINC000245761608 534862419 /nfs/dbraw/zinc/86/24/19/534862419.db2.gz IRBUHHZJZZOZEJ-DTWKUNHWSA-N 1 0 243.307 -0.301 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000245761611 385058472 /nfs/dbraw/zinc/05/84/72/385058472.db2.gz IRBUHHZJZZOZEJ-RKDXNWHRSA-N 1 0 243.307 -0.301 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245945092 323007968 /nfs/dbraw/zinc/00/79/68/323007968.db2.gz RPMFELZGRTVTCE-JQWIXIFHSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245945095 323007908 /nfs/dbraw/zinc/00/79/08/323007908.db2.gz RPMFELZGRTVTCE-PWSUYJOCSA-N 1 0 224.304 -0.029 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000246167886 388015314 /nfs/dbraw/zinc/01/53/14/388015314.db2.gz IVJLAGHLXCMMCV-NXEZZACHSA-N 1 0 241.335 -0.009 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000246167894 388015517 /nfs/dbraw/zinc/01/55/17/388015517.db2.gz IVJLAGHLXCMMCV-VHSXEESVSA-N 1 0 241.335 -0.009 20 30 BBEDRO N#CCNC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246265683 388442122 /nfs/dbraw/zinc/44/21/22/388442122.db2.gz ZFVGVZDBUSNFSK-LLVKDONJSA-N 1 0 236.319 -0.204 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000246316979 323008688 /nfs/dbraw/zinc/00/86/88/323008688.db2.gz ZUVVPGXXDIGQJA-NXEZZACHSA-N 1 0 239.319 -0.562 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000246316985 323008696 /nfs/dbraw/zinc/00/86/96/323008696.db2.gz ZUVVPGXXDIGQJA-VHSXEESVSA-N 1 0 239.319 -0.562 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246563303 385187795 /nfs/dbraw/zinc/18/77/95/385187795.db2.gz AIXFJFBGLSMULK-OUAUKWLOSA-N 1 0 242.319 -0.112 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246563310 385186655 /nfs/dbraw/zinc/18/66/55/385186655.db2.gz AIXFJFBGLSMULK-VWYCJHECSA-N 1 0 242.319 -0.112 20 30 BBEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCC#N ZINC000247530252 323133489 /nfs/dbraw/zinc/13/34/89/323133489.db2.gz XLCKGUQCPFDJTQ-MNOVXSKESA-N 1 0 236.319 -0.205 20 30 BBEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCC#N ZINC000247530255 388666474 /nfs/dbraw/zinc/66/64/74/388666474.db2.gz XLCKGUQCPFDJTQ-QWRGUYRKSA-N 1 0 236.319 -0.205 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000248399895 135005017 /nfs/dbraw/zinc/00/50/17/135005017.db2.gz WMSVKRDFXKINDH-GARJFASQSA-N 1 0 215.293 -0.259 20 30 BBEDRO C=CC[C@H](CO)NC(=O)[C@H]1CN(C)CCO1 ZINC000248524371 323024144 /nfs/dbraw/zinc/02/41/44/323024144.db2.gz SZRDFBWOPSZMAY-NXEZZACHSA-N 1 0 228.292 -0.630 20 30 BBEDRO C=CC[C@H](CO)NC(=O)[C@@H]1CN(C)CCO1 ZINC000248524373 323024180 /nfs/dbraw/zinc/02/41/80/323024180.db2.gz SZRDFBWOPSZMAY-ZJUUUORDSA-N 1 0 228.292 -0.630 20 30 BBEDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)NCC#N ZINC000248825342 386995313 /nfs/dbraw/zinc/99/53/13/386995313.db2.gz JXTKFRXSAUULHE-ILWJIGKKSA-N 1 0 225.292 -0.140 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@H]1CO ZINC000248923010 387483606 /nfs/dbraw/zinc/48/36/06/387483606.db2.gz LDYYPNYFFAZMBQ-BDAKNGLRSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NCC#N)[C@H]1CO ZINC000248923015 387483525 /nfs/dbraw/zinc/48/35/25/387483525.db2.gz LDYYPNYFFAZMBQ-IUCAKERBSA-N 1 0 211.265 -0.671 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248949453 388700541 /nfs/dbraw/zinc/70/05/41/388700541.db2.gz PJGZWLRNQONLRY-NXEZZACHSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248949456 388701365 /nfs/dbraw/zinc/70/13/65/388701365.db2.gz PJGZWLRNQONLRY-ZJUUUORDSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249372850 384500318 /nfs/dbraw/zinc/50/03/18/384500318.db2.gz XHKGLUFGTNMXHN-LPEHRKFASA-N 1 0 228.292 -0.895 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)O ZINC000249722486 135043651 /nfs/dbraw/zinc/04/36/51/135043651.db2.gz ABYOQVDDPCWSDE-DTWKUNHWSA-N 1 0 200.282 -0.010 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)OC ZINC000250207111 353269400 /nfs/dbraw/zinc/26/94/00/353269400.db2.gz RTUDVHYRRVNVHD-VHSXEESVSA-N 1 0 240.303 -0.135 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC000250351989 644755056 /nfs/dbraw/zinc/75/50/56/644755056.db2.gz RLEOMDLXZAVQQT-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000250662094 644775025 /nfs/dbraw/zinc/77/50/25/644775025.db2.gz QLZSFDQUCSCJEQ-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000250662096 644774581 /nfs/dbraw/zinc/77/45/81/644774581.db2.gz QLZSFDQUCSCJEQ-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000251593977 644812106 /nfs/dbraw/zinc/81/21/06/644812106.db2.gz CWLFUHJOPGVVEG-NXEZZACHSA-N 1 0 238.287 -0.523 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251624365 135072493 /nfs/dbraw/zinc/07/24/93/135072493.db2.gz FBUVCPLEWFUIKK-NXEZZACHSA-N 1 0 211.309 -0.042 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000251881448 388755975 /nfs/dbraw/zinc/75/59/75/388755975.db2.gz VANJAPCODYFEKA-OUAUKWLOSA-N 1 0 224.304 -0.173 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000251881543 135080562 /nfs/dbraw/zinc/08/05/62/135080562.db2.gz VCKTWENNYVZOEU-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO COC(=O)[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC000251898401 369980349 /nfs/dbraw/zinc/98/03/49/369980349.db2.gz WEYVGTLJGGVYAN-RKDXNWHRSA-N 1 0 239.275 -0.633 20 30 BBEDRO CC(=NNC(N)=[NH2+])c1cccc(-n2cnnn2)c1 ZINC000252446733 644851457 /nfs/dbraw/zinc/85/14/57/644851457.db2.gz ALHDWZYSPSNTPE-UHFFFAOYSA-N 1 0 244.262 -0.131 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453516 636032759 /nfs/dbraw/zinc/03/27/59/636032759.db2.gz MKUYJLGLNMQJAG-DCAQKATOSA-N 1 0 221.304 -0.725 20 30 BBEDRO NC(=[NH2+])NN=Cc1ccc(C(N)=O)cc1 ZINC000252453534 644853103 /nfs/dbraw/zinc/85/31/03/644853103.db2.gz MZCKZCSVWMDXIK-UHFFFAOYSA-N 1 0 205.221 -0.398 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453896 353300082 /nfs/dbraw/zinc/30/00/82/353300082.db2.gz YRLZQYJCHRIANV-DCAQKATOSA-N 1 0 223.320 -0.172 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252848710 388787969 /nfs/dbraw/zinc/78/79/69/388787969.db2.gz DPDXWXICOUEQIZ-BJDJZHNGSA-N 1 0 236.315 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252848712 388788591 /nfs/dbraw/zinc/78/85/91/388788591.db2.gz DPDXWXICOUEQIZ-FIQHERPVSA-N 1 0 236.315 -0.173 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252868651 135113621 /nfs/dbraw/zinc/11/36/21/135113621.db2.gz NJTKTMHBVCNMJF-DCAQKATOSA-N 1 0 224.304 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252868653 135114002 /nfs/dbraw/zinc/11/40/02/135114002.db2.gz NJTKTMHBVCNMJF-GARJFASQSA-N 1 0 224.304 -0.009 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)[C@@H]1CCCC[C@H]1O ZINC000252924007 388793582 /nfs/dbraw/zinc/79/35/82/388793582.db2.gz KQDKZZDSVDSWRY-NXEZZACHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252935244 711775493 /nfs/dbraw/zinc/77/54/93/711775493.db2.gz WZTZPDBOVRYGEZ-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC[C@H](C)O ZINC000253190975 364684040 /nfs/dbraw/zinc/68/40/40/364684040.db2.gz LTAICOSKQFIKSR-VHSXEESVSA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000253335939 642950052 /nfs/dbraw/zinc/95/00/52/642950052.db2.gz YBPOUONAQRPJRQ-NXEZZACHSA-N 1 0 210.277 -0.562 20 30 BBEDRO COc1ccc2c(c1)C(=NNC(N)=[NH2+])C(=O)N2C ZINC000254290355 642703871 /nfs/dbraw/zinc/70/38/71/642703871.db2.gz LKWVGXDHYAYLAO-UHFFFAOYSA-N 1 0 247.258 -0.141 20 30 BBEDRO CN1c2ccccc2C(=NNC(N)=[NH2+])C1=O ZINC000254713893 642440166 /nfs/dbraw/zinc/44/01/66/642440166.db2.gz GCRIAOWJCDPQNR-UHFFFAOYSA-N 1 0 217.232 -0.360 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC000259702422 385631529 /nfs/dbraw/zinc/63/15/29/385631529.db2.gz BNHRSACILIHRPH-NXEZZACHSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC000259702426 385631633 /nfs/dbraw/zinc/63/16/33/385631633.db2.gz BNHRSACILIHRPH-UWVGGRQHSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC000259702429 385631877 /nfs/dbraw/zinc/63/18/77/385631877.db2.gz BNHRSACILIHRPH-VHSXEESVSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC000259702433 385632117 /nfs/dbraw/zinc/63/21/17/385632117.db2.gz BNHRSACILIHRPH-ZJUUUORDSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2C#N)C1 ZINC000259821487 323019210 /nfs/dbraw/zinc/01/92/10/323019210.db2.gz KSOTYIBVCVZLCG-NXEZZACHSA-N 1 0 223.276 -0.311 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2C#N)C1 ZINC000259821488 323019237 /nfs/dbraw/zinc/01/92/37/323019237.db2.gz KSOTYIBVCVZLCG-UWVGGRQHSA-N 1 0 223.276 -0.311 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2C#N)C1 ZINC000259821489 323019198 /nfs/dbraw/zinc/01/91/98/323019198.db2.gz KSOTYIBVCVZLCG-VHSXEESVSA-N 1 0 223.276 -0.311 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2C#N)C1 ZINC000259821490 323019149 /nfs/dbraw/zinc/01/91/49/323019149.db2.gz KSOTYIBVCVZLCG-ZJUUUORDSA-N 1 0 223.276 -0.311 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1C#N ZINC000259914532 385598730 /nfs/dbraw/zinc/59/87/30/385598730.db2.gz LTJVCXRYUFXPLC-NXEZZACHSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1C#N ZINC000259914537 385598898 /nfs/dbraw/zinc/59/88/98/385598898.db2.gz LTJVCXRYUFXPLC-UWVGGRQHSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1C#N ZINC000259914540 385598811 /nfs/dbraw/zinc/59/88/11/385598811.db2.gz LTJVCXRYUFXPLC-VHSXEESVSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1C#N ZINC000259914543 385598455 /nfs/dbraw/zinc/59/84/55/385598455.db2.gz LTJVCXRYUFXPLC-ZJUUUORDSA-N 1 0 223.276 -0.168 20 30 BBEDRO NC(=[NH2+])NN=Cc1cccc(C(N)=O)c1 ZINC000261172323 635381704 /nfs/dbraw/zinc/38/17/04/635381704.db2.gz TZADBWLTGCWGKB-UHFFFAOYSA-N 1 0 205.221 -0.398 20 30 BBEDRO COCCOCCNC1=[NH+]CCN1C ZINC000261528360 135153784 /nfs/dbraw/zinc/15/37/84/135153784.db2.gz KWALEUSQHBLHAN-UHFFFAOYSA-N 1 0 201.270 -0.460 20 30 BBEDRO COCCOCCNC1=[NH+]C[C@@H](C)N1 ZINC000261528615 135154157 /nfs/dbraw/zinc/15/41/57/135154157.db2.gz MSANMXAACWYIGZ-MRVPVSSYSA-N 1 0 201.270 -0.413 20 30 BBEDRO COCCOCCNC1=[NH+]C[C@H](C)N1 ZINC000261528616 135154427 /nfs/dbraw/zinc/15/44/27/135154427.db2.gz MSANMXAACWYIGZ-QMMMGPOBSA-N 1 0 201.270 -0.413 20 30 BBEDRO C=CCCS(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000261529307 135155582 /nfs/dbraw/zinc/15/55/82/135155582.db2.gz RCFMLQRZCGLMAI-ZKCHVHJHSA-N 1 0 204.295 -0.028 20 30 BBEDRO CN1CC[NH+]=C1NC[C@@H](O)C(F)(F)F ZINC000261529402 135155902 /nfs/dbraw/zinc/15/59/02/135155902.db2.gz RUSNYTZEMXNIQW-RXMQYKEDSA-N 1 0 211.187 -0.199 20 30 BBEDRO CN1CC[NH+]=C1NC[C@H](O)C(F)(F)F ZINC000261529404 135155586 /nfs/dbraw/zinc/15/55/86/135155586.db2.gz RUSNYTZEMXNIQW-YFKPBYRVSA-N 1 0 211.187 -0.199 20 30 BBEDRO CCS(=O)(=O)CCNC1=[NH+]CCN1C ZINC000261529450 135156028 /nfs/dbraw/zinc/15/60/28/135156028.db2.gz SCRULHSDTMVAGT-UHFFFAOYSA-N 1 0 219.310 -0.688 20 30 BBEDRO C[C@H]1C[NH+]=C(NC[C@@H](O)C(F)(F)F)N1 ZINC000261529574 135155577 /nfs/dbraw/zinc/15/55/77/135155577.db2.gz TYJZSODBQAVPMB-CRCLSJGQSA-N 1 0 211.187 -0.153 20 30 BBEDRO C[C@@H]1C[NH+]=C(NC[C@@H](O)C(F)(F)F)N1 ZINC000261529576 135155501 /nfs/dbraw/zinc/15/55/01/135155501.db2.gz TYJZSODBQAVPMB-RFZPGFLSSA-N 1 0 211.187 -0.153 20 30 BBEDRO C[C@@H]1C[NH+]=C(NC[C@H](O)C(F)(F)F)N1 ZINC000261529578 135155760 /nfs/dbraw/zinc/15/57/60/135155760.db2.gz TYJZSODBQAVPMB-UHNVWZDZSA-N 1 0 211.187 -0.153 20 30 BBEDRO C[C@H]1C[NH+]=C(NC[C@H](O)C(F)(F)F)N1 ZINC000261529580 135156160 /nfs/dbraw/zinc/15/61/60/135156160.db2.gz TYJZSODBQAVPMB-WHFBIAKZSA-N 1 0 211.187 -0.153 20 30 BBEDRO COCCN(C)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261529681 536775140 /nfs/dbraw/zinc/77/51/40/536775140.db2.gz BIQGJTIMHIJAKT-SECBINFHSA-N 1 0 214.313 -0.498 20 30 BBEDRO COCCN(C)CCNC1=[NH+]C[C@H](C)N1 ZINC000261529682 536775765 /nfs/dbraw/zinc/77/57/65/536775765.db2.gz BIQGJTIMHIJAKT-VIFPVBQESA-N 1 0 214.313 -0.498 20 30 BBEDRO CCS(=O)(=O)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261529776 135156603 /nfs/dbraw/zinc/15/66/03/135156603.db2.gz VKQSUAFEPJHAMK-SSDOTTSWSA-N 1 0 219.310 -0.642 20 30 BBEDRO CCS(=O)(=O)CCNC1=[NH+]C[C@H](C)N1 ZINC000261529777 135156322 /nfs/dbraw/zinc/15/63/22/135156322.db2.gz VKQSUAFEPJHAMK-ZETCQYMHSA-N 1 0 219.310 -0.642 20 30 BBEDRO CC(C)S(=O)(=O)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261530345 135157642 /nfs/dbraw/zinc/15/76/42/135157642.db2.gz CNTFIKVINSNQRH-MRVPVSSYSA-N 1 0 233.337 -0.253 20 30 BBEDRO CC(C)S(=O)(=O)CCNC1=[NH+]C[C@H](C)N1 ZINC000261530346 135157253 /nfs/dbraw/zinc/15/72/53/135157253.db2.gz CNTFIKVINSNQRH-QMMMGPOBSA-N 1 0 233.337 -0.253 20 30 BBEDRO C=CCN(CC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000261530964 135159460 /nfs/dbraw/zinc/15/94/60/135159460.db2.gz DRMRWBSYXPMIAJ-SECBINFHSA-N 1 0 218.322 -0.380 20 30 BBEDRO C=CCN(CC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000261530965 135151251 /nfs/dbraw/zinc/15/12/51/135151251.db2.gz DRMRWBSYXPMIAJ-VIFPVBQESA-N 1 0 218.322 -0.380 20 30 BBEDRO C=CCCS(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000261530986 135150815 /nfs/dbraw/zinc/15/08/15/135150815.db2.gz DVBYLLRKJVVANQ-BRPSZJMVSA-N 1 0 216.306 -0.300 20 30 BBEDRO C=CCNC(=O)CN1CCC([NH2+]C)CC1 ZINC000261531019 135158688 /nfs/dbraw/zinc/15/86/88/135158688.db2.gz DWZOWSUTMVAGEL-UHFFFAOYSA-N 1 0 211.309 -0.028 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCc2ccn(C)n2)N1 ZINC000261531060 135159482 /nfs/dbraw/zinc/15/94/82/135159482.db2.gz FBDSTDZLMVYFLM-MRVPVSSYSA-N 1 0 207.281 -0.100 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCc2ccn(C)n2)N1 ZINC000261531061 135158987 /nfs/dbraw/zinc/15/89/87/135158987.db2.gz FBDSTDZLMVYFLM-QMMMGPOBSA-N 1 0 207.281 -0.100 20 30 BBEDRO COCCN(C)CCNC1=[NH+]CCN1C ZINC000261531095 536774463 /nfs/dbraw/zinc/77/44/63/536774463.db2.gz FEBLAXWWRPTRCG-UHFFFAOYSA-N 1 0 214.313 -0.544 20 30 BBEDRO Cc1noc(CCNC2=[NH+]C[C@H](C)N2)n1 ZINC000261531570 135160619 /nfs/dbraw/zinc/16/06/19/135160619.db2.gz HCFKSQDFDLBZSH-LURJTMIESA-N 1 0 209.253 -0.142 20 30 BBEDRO Cc1noc(CCNC2=[NH+]C[C@@H](C)N2)n1 ZINC000261531571 135160517 /nfs/dbraw/zinc/16/05/17/135160517.db2.gz HCFKSQDFDLBZSH-ZCFIWIBFSA-N 1 0 209.253 -0.142 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCN2CCSCC2)N1 ZINC000261531640 135160850 /nfs/dbraw/zinc/16/08/50/135160850.db2.gz HJGWAZROFHWPDL-SECBINFHSA-N 1 0 228.365 -0.028 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCN2CCSCC2)N1 ZINC000261531641 135161166 /nfs/dbraw/zinc/16/11/66/135161166.db2.gz HJGWAZROFHWPDL-VIFPVBQESA-N 1 0 228.365 -0.028 20 30 BBEDRO CC(C)S(=O)(=O)CCNC1=[NH+]CCN1C ZINC000261531746 135161179 /nfs/dbraw/zinc/16/11/79/135161179.db2.gz HSVVQPKRFHGJPF-UHFFFAOYSA-N 1 0 233.337 -0.299 20 30 BBEDRO CCCNC(=O)CCNC1=[NH+]CCN1C ZINC000261531833 135161535 /nfs/dbraw/zinc/16/15/35/135161535.db2.gz HZZBHAUAEHDKJZ-UHFFFAOYSA-N 1 0 212.297 -0.206 20 30 BBEDRO CN1CC[NH+]=C1NCCNC(=O)C1CC1 ZINC000261531917 135162012 /nfs/dbraw/zinc/16/20/12/135162012.db2.gz IJQSFEAPBIISHB-UHFFFAOYSA-N 1 0 210.281 -0.596 20 30 BBEDRO CC(C)NC(=O)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261531950 135162108 /nfs/dbraw/zinc/16/21/08/135162108.db2.gz ILXPYSHCMQFKME-MRVPVSSYSA-N 1 0 212.297 -0.162 20 30 BBEDRO CC(C)NC(=O)CCNC1=[NH+]C[C@H](C)N1 ZINC000261531951 135161845 /nfs/dbraw/zinc/16/18/45/135161845.db2.gz ILXPYSHCMQFKME-QMMMGPOBSA-N 1 0 212.297 -0.162 20 30 BBEDRO CO[C@@]1(CNC2=[NH+]C[C@@H](C)N2)CCOC1 ZINC000261532051 135161574 /nfs/dbraw/zinc/16/15/74/135161574.db2.gz IXLCDVJOTUTEPW-PSASIEDQSA-N 1 0 213.281 -0.271 20 30 BBEDRO CO[C@]1(CNC2=[NH+]C[C@@H](C)N2)CCOC1 ZINC000261532052 135161948 /nfs/dbraw/zinc/16/19/48/135161948.db2.gz IXLCDVJOTUTEPW-SCZZXKLOSA-N 1 0 213.281 -0.271 20 30 BBEDRO CO[C@@]1(CNC2=[NH+]C[C@H](C)N2)CCOC1 ZINC000261532053 135162097 /nfs/dbraw/zinc/16/20/97/135162097.db2.gz IXLCDVJOTUTEPW-WCBMZHEXSA-N 1 0 213.281 -0.271 20 30 BBEDRO CO[C@]1(CNC2=[NH+]C[C@H](C)N2)CCOC1 ZINC000261532054 135161712 /nfs/dbraw/zinc/16/17/12/135161712.db2.gz IXLCDVJOTUTEPW-WPRPVWTQSA-N 1 0 213.281 -0.271 20 30 BBEDRO Cn1cc(CCNC2=[NH+]CCN2C)cn1 ZINC000261532105 135161666 /nfs/dbraw/zinc/16/16/66/135161666.db2.gz JDEHIGYGHWKWOH-UHFFFAOYSA-N 1 0 207.281 -0.146 20 30 BBEDRO CC(C)NC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000261532696 135163094 /nfs/dbraw/zinc/16/30/94/135163094.db2.gz CMESHCDQAXBFKD-UHFFFAOYSA-N 1 0 228.296 -0.842 20 30 BBEDRO CO[C@]1(CNC2=[NH+]CCN2C)CCOC1 ZINC000261533887 135165999 /nfs/dbraw/zinc/16/59/99/135165999.db2.gz LPJFCUGEOFRRPV-JTQLQIEISA-N 1 0 213.281 -0.317 20 30 BBEDRO CO[C@@]1(CNC2=[NH+]CCN2C)CCOC1 ZINC000261533888 135165996 /nfs/dbraw/zinc/16/59/96/135165996.db2.gz LPJFCUGEOFRRPV-SNVBAGLBSA-N 1 0 213.281 -0.317 20 30 BBEDRO CNC(=O)C(C)(C)CNC1=[NH+]CCN1C ZINC000261534239 135166562 /nfs/dbraw/zinc/16/65/62/135166562.db2.gz LYHBZUHBRBSACB-UHFFFAOYSA-N 1 0 212.297 -0.350 20 30 BBEDRO CN1CC[NH+]=C1NCC(C)(C)OCCO ZINC000261534590 135168050 /nfs/dbraw/zinc/16/80/50/135168050.db2.gz MRXVEHQMQGFLHB-UHFFFAOYSA-N 1 0 215.297 -0.335 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261534849 135168107 /nfs/dbraw/zinc/16/81/07/135168107.db2.gz NFGFPGXUPMUJTL-NSHDSACASA-N 1 0 211.309 -0.041 20 30 BBEDRO CCn1cnnc1CNC1=[NH+]CCN1C ZINC000261535154 135168959 /nfs/dbraw/zinc/16/89/59/135168959.db2.gz NWDOXJIJMOQMJU-UHFFFAOYSA-N 1 0 208.269 -0.311 20 30 BBEDRO C[C@@H]1C[NH+]=C(NC[C@]2(O)CCO[C@H]2C)N1 ZINC000261535346 135169325 /nfs/dbraw/zinc/16/93/25/135169325.db2.gz OFMRJGKVVGMZIL-KHQFGBGNSA-N 1 0 213.281 -0.536 20 30 BBEDRO C[C@@H]1C[NH+]=C(NC[C@@]2(O)CCO[C@@H]2C)N1 ZINC000261535347 135169644 /nfs/dbraw/zinc/16/96/44/135169644.db2.gz OFMRJGKVVGMZIL-MRTMQBJTSA-N 1 0 213.281 -0.536 20 30 BBEDRO C[C@@H]1C[NH+]=C(NC[C@]2(O)CCO[C@@H]2C)N1 ZINC000261535348 135169889 /nfs/dbraw/zinc/16/98/89/135169889.db2.gz OFMRJGKVVGMZIL-NQMVMOMDSA-N 1 0 213.281 -0.536 20 30 BBEDRO C[C@@H]1C[NH+]=C(NC[C@@]2(O)CCO[C@H]2C)N1 ZINC000261535349 135169508 /nfs/dbraw/zinc/16/95/08/135169508.db2.gz OFMRJGKVVGMZIL-WEDXCCLWSA-N 1 0 213.281 -0.536 20 30 BBEDRO CCCNC(=O)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261535862 135170312 /nfs/dbraw/zinc/17/03/12/135170312.db2.gz PMKQJBQLNUUVEM-MRVPVSSYSA-N 1 0 212.297 -0.160 20 30 BBEDRO CCCNC(=O)CCNC1=[NH+]C[C@H](C)N1 ZINC000261535863 135170397 /nfs/dbraw/zinc/17/03/97/135170397.db2.gz PMKQJBQLNUUVEM-QMMMGPOBSA-N 1 0 212.297 -0.160 20 30 BBEDRO C[C@H]1OCC[C@@]1(O)CNC1=[NH+]CCN1C ZINC000261535882 135170390 /nfs/dbraw/zinc/17/03/90/135170390.db2.gz PNTURQXQSMPFGX-PSASIEDQSA-N 1 0 213.281 -0.583 20 30 BBEDRO C[C@H]1OCC[C@]1(O)CNC1=[NH+]CCN1C ZINC000261535883 135170618 /nfs/dbraw/zinc/17/06/18/135170618.db2.gz PNTURQXQSMPFGX-SCZZXKLOSA-N 1 0 213.281 -0.583 20 30 BBEDRO C[C@@H]1OCC[C@@]1(O)CNC1=[NH+]CCN1C ZINC000261535884 135170173 /nfs/dbraw/zinc/17/01/73/135170173.db2.gz PNTURQXQSMPFGX-WCBMZHEXSA-N 1 0 213.281 -0.583 20 30 BBEDRO C[C@@H]1OCC[C@]1(O)CNC1=[NH+]CCN1C ZINC000261535885 135170682 /nfs/dbraw/zinc/17/06/82/135170682.db2.gz PNTURQXQSMPFGX-WPRPVWTQSA-N 1 0 213.281 -0.583 20 30 BBEDRO CN1CC[NH+]=C1NCCN1CCOCC1 ZINC000261535993 135108905 /nfs/dbraw/zinc/10/89/05/135108905.db2.gz PYSDXFQGBRTLAI-UHFFFAOYSA-N 1 0 212.297 -0.790 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCc2cnn(C)c2)N1 ZINC000261536148 135171127 /nfs/dbraw/zinc/17/11/27/135171127.db2.gz QNWPVHZTTHLZNJ-MRVPVSSYSA-N 1 0 207.281 -0.100 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCc2cnn(C)c2)N1 ZINC000261536149 135171098 /nfs/dbraw/zinc/17/10/98/135171098.db2.gz QNWPVHZTTHLZNJ-QMMMGPOBSA-N 1 0 207.281 -0.100 20 30 BBEDRO CC(C)NC(=O)CCNC1=[NH+]CCN1C ZINC000261536421 135172278 /nfs/dbraw/zinc/17/22/78/135172278.db2.gz RQNCTBQJOBZKKU-UHFFFAOYSA-N 1 0 212.297 -0.208 20 30 BBEDRO Cn1ccc(CCNC2=[NH+]CCN2C)n1 ZINC000261536969 135172885 /nfs/dbraw/zinc/17/28/85/135172885.db2.gz UJXPSXXLHALUIL-UHFFFAOYSA-N 1 0 207.281 -0.146 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC(C)(C)OCCO)N1 ZINC000261537386 135173981 /nfs/dbraw/zinc/17/39/81/135173981.db2.gz VLSYRVNLDLCQJY-MRVPVSSYSA-N 1 0 215.297 -0.289 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC(C)(C)OCCO)N1 ZINC000261537387 135174210 /nfs/dbraw/zinc/17/42/10/135174210.db2.gz VLSYRVNLDLCQJY-QMMMGPOBSA-N 1 0 215.297 -0.289 20 30 BBEDRO CN1CC[NH+]=C1NC[C@@H]1CN(C)CCO1 ZINC000261537449 135173788 /nfs/dbraw/zinc/17/37/88/135173788.db2.gz VPPCGPGPVUITDW-SECBINFHSA-N 1 0 212.297 -0.792 20 30 BBEDRO CN1CC[NH+]=C1NC[C@H]1CN(C)CCO1 ZINC000261537450 135173837 /nfs/dbraw/zinc/17/38/37/135173837.db2.gz VPPCGPGPVUITDW-VIFPVBQESA-N 1 0 212.297 -0.792 20 30 BBEDRO CC(C)(C)NC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000261537773 534661769 /nfs/dbraw/zinc/66/17/69/534661769.db2.gz XKPFVEBKYUYYAA-UHFFFAOYSA-N 1 0 242.323 -0.452 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCNC(=O)C2CC2)N1 ZINC000261537831 135174348 /nfs/dbraw/zinc/17/43/48/135174348.db2.gz WJQYTGUCJJGSFR-SSDOTTSWSA-N 1 0 210.281 -0.550 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCNC(=O)C2CC2)N1 ZINC000261537832 135174507 /nfs/dbraw/zinc/17/45/07/135174507.db2.gz WJQYTGUCJJGSFR-ZETCQYMHSA-N 1 0 210.281 -0.550 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC2(O)CCOCC2)N1 ZINC000261537843 135175065 /nfs/dbraw/zinc/17/50/65/135175065.db2.gz WKSRBRPTGPYVPA-MRVPVSSYSA-N 1 0 213.281 -0.535 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC2(O)CCOCC2)N1 ZINC000261537844 135174779 /nfs/dbraw/zinc/17/47/79/135174779.db2.gz WKSRBRPTGPYVPA-QMMMGPOBSA-N 1 0 213.281 -0.535 20 30 BBEDRO C[C@H]1OCC[C@]1(O)CNC(=[NH2+])NC1CC1 ZINC000261537931 135175047 /nfs/dbraw/zinc/17/50/47/135175047.db2.gz WSVKEDREASBCAV-XCBNKYQSSA-N 1 0 213.281 -0.407 20 30 BBEDRO C[C@@H]1OCC[C@]1(O)CNC(=[NH2+])NC1CC1 ZINC000261537932 135174987 /nfs/dbraw/zinc/17/49/87/135174987.db2.gz WSVKEDREASBCAV-XVKPBYJWSA-N 1 0 213.281 -0.407 20 30 BBEDRO CC(C)NC(=[NH2+])NC[C@]1(O)CCO[C@H]1C ZINC000261538067 535124620 /nfs/dbraw/zinc/12/46/20/535124620.db2.gz XIMKULMHCNCBOQ-WCBMZHEXSA-N 1 0 215.297 -0.161 20 30 BBEDRO CC(C)NC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000261538068 535124578 /nfs/dbraw/zinc/12/45/78/535124578.db2.gz XIMKULMHCNCBOQ-WPRPVWTQSA-N 1 0 215.297 -0.161 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCN2CCOCC2)N1 ZINC000261538232 135175699 /nfs/dbraw/zinc/17/56/99/135175699.db2.gz XNONSMQCZJLFRP-SECBINFHSA-N 1 0 212.297 -0.744 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCN2CCOCC2)N1 ZINC000261538234 135175192 /nfs/dbraw/zinc/17/51/92/135175192.db2.gz XNONSMQCZJLFRP-VIFPVBQESA-N 1 0 212.297 -0.744 20 30 BBEDRO CNC(=O)C(C)(C)CNC1=[NH+]C[C@@H](C)N1 ZINC000261538436 135109036 /nfs/dbraw/zinc/10/90/36/135109036.db2.gz YCMAWEZLQCXKGG-SSDOTTSWSA-N 1 0 212.297 -0.304 20 30 BBEDRO CNC(=O)C(C)(C)CNC1=[NH+]C[C@H](C)N1 ZINC000261538437 135176279 /nfs/dbraw/zinc/17/62/79/135176279.db2.gz YCMAWEZLQCXKGG-ZETCQYMHSA-N 1 0 212.297 -0.304 20 30 BBEDRO CN1CC[NH+]=C1NCCN1CCSCC1 ZINC000261538714 135176312 /nfs/dbraw/zinc/17/63/12/135176312.db2.gz ZAWJHZYWZYADDZ-UHFFFAOYSA-N 1 0 228.365 -0.074 20 30 BBEDRO CCCNC(=[NH2+])NC[C@]1(O)CCO[C@H]1C ZINC000261538768 135176890 /nfs/dbraw/zinc/17/68/90/135176890.db2.gz ZFXCMIDLFPUBAU-WCBMZHEXSA-N 1 0 215.297 -0.159 20 30 BBEDRO CCCNC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000261538769 135177192 /nfs/dbraw/zinc/17/71/92/135177192.db2.gz ZFXCMIDLFPUBAU-WPRPVWTQSA-N 1 0 215.297 -0.159 20 30 BBEDRO CC(C)S(=O)(=O)CCNC(=[NH2+])NC1CC1 ZINC000261538929 135176812 /nfs/dbraw/zinc/17/68/12/135176812.db2.gz ZVNGMBNIFUEKBF-UHFFFAOYSA-N 1 0 233.337 -0.124 20 30 BBEDRO C=CCOCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261538977 135176796 /nfs/dbraw/zinc/17/67/96/135176796.db2.gz BGMHNFUKATUKAU-AOOOYVTPSA-N 1 0 210.277 -0.133 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000261542637 135183007 /nfs/dbraw/zinc/18/30/07/135183007.db2.gz HAXKAKODRIXTTH-NXEZZACHSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000261542638 135183426 /nfs/dbraw/zinc/18/34/26/135183426.db2.gz HAXKAKODRIXTTH-UWVGGRQHSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000261542639 135183101 /nfs/dbraw/zinc/18/31/01/135183101.db2.gz HAXKAKODRIXTTH-VHSXEESVSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000261542640 135183157 /nfs/dbraw/zinc/18/31/57/135183157.db2.gz HAXKAKODRIXTTH-ZJUUUORDSA-N 1 0 211.309 -0.029 20 30 BBEDRO CN1CC[NH+]=C1NCCC(=O)N1CCOCC1 ZINC000261548028 135241568 /nfs/dbraw/zinc/24/15/68/135241568.db2.gz IZESWNDLHSZWMC-UHFFFAOYSA-N 1 0 240.307 -0.874 20 30 BBEDRO C=CCN1CC[C@H](N(C)C2C[NH2+]C2)C1=O ZINC000261549196 135187338 /nfs/dbraw/zinc/18/73/38/135187338.db2.gz OIORHZQFMLRJCB-JTQLQIEISA-N 1 0 209.293 -0.323 20 30 BBEDRO C=CCN1CC[C@@H](N(C)C2C[NH2+]C2)C1=O ZINC000261549198 135187872 /nfs/dbraw/zinc/18/78/72/135187872.db2.gz OIORHZQFMLRJCB-SNVBAGLBSA-N 1 0 209.293 -0.323 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCC(=O)N2CCOCC2)N1 ZINC000261549262 135188763 /nfs/dbraw/zinc/18/87/63/135188763.db2.gz KGLWPNMNRKDUGN-SECBINFHSA-N 1 0 240.307 -0.827 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCC(=O)N2CCOCC2)N1 ZINC000261549264 135188748 /nfs/dbraw/zinc/18/87/48/135188748.db2.gz KGLWPNMNRKDUGN-VIFPVBQESA-N 1 0 240.307 -0.827 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000261550889 536300505 /nfs/dbraw/zinc/30/05/05/536300505.db2.gz PWEIQDIDIHPMBW-MRVPVSSYSA-N 1 0 232.309 -0.972 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000261550890 536300948 /nfs/dbraw/zinc/30/09/48/536300948.db2.gz PWEIQDIDIHPMBW-QMMMGPOBSA-N 1 0 232.309 -0.972 20 30 BBEDRO C=CCNC(=O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000261552812 534857057 /nfs/dbraw/zinc/85/70/57/534857057.db2.gz RVDJVGCYMSUKRZ-AOOOYVTPSA-N 1 0 211.309 -0.029 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568114 135210714 /nfs/dbraw/zinc/21/07/14/135210714.db2.gz FIOBREXECRSKDO-GHMZBOCLSA-N 1 0 223.320 -0.170 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568115 135210417 /nfs/dbraw/zinc/21/04/17/135210417.db2.gz FIOBREXECRSKDO-MNOVXSKESA-N 1 0 223.320 -0.170 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568116 135210818 /nfs/dbraw/zinc/21/08/18/135210818.db2.gz FIOBREXECRSKDO-QWRGUYRKSA-N 1 0 223.320 -0.170 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568117 135210229 /nfs/dbraw/zinc/21/02/29/135210229.db2.gz FIOBREXECRSKDO-WDEREUQCSA-N 1 0 223.320 -0.170 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000261568925 536300372 /nfs/dbraw/zinc/30/03/72/536300372.db2.gz FZKJDMRHOVVAHR-ZKCHVHJHSA-N 1 0 232.309 -0.844 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC(=O)N2CCCCC2)N1 ZINC000261570994 135213104 /nfs/dbraw/zinc/21/31/04/135213104.db2.gz HGRLCVNRLUZPKM-SECBINFHSA-N 1 0 224.308 -0.064 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC(=O)N2CCCCC2)N1 ZINC000261570995 135212999 /nfs/dbraw/zinc/21/29/99/135212999.db2.gz HGRLCVNRLUZPKM-VIFPVBQESA-N 1 0 224.308 -0.064 20 30 BBEDRO C=CCOCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000261573675 534869261 /nfs/dbraw/zinc/86/92/61/534869261.db2.gz IVWSVIIAKVKPHY-SECBINFHSA-N 1 0 214.265 -0.625 20 30 BBEDRO C=CCOCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000261573677 534868966 /nfs/dbraw/zinc/86/89/66/534868966.db2.gz IVWSVIIAKVKPHY-VIFPVBQESA-N 1 0 214.265 -0.625 20 30 BBEDRO CN1CC[NH+]=C1NCC(=O)N1CCCCC1 ZINC000261577611 135219191 /nfs/dbraw/zinc/21/91/91/135219191.db2.gz LEXBDSXRHNUHSS-UHFFFAOYSA-N 1 0 224.308 -0.110 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261584878 135225912 /nfs/dbraw/zinc/22/59/12/135225912.db2.gz QDHSFLWRHYKOGB-GHMZBOCLSA-N 1 0 223.320 -0.028 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261584879 135225886 /nfs/dbraw/zinc/22/58/86/135225886.db2.gz QDHSFLWRHYKOGB-MNOVXSKESA-N 1 0 223.320 -0.028 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261584880 135226226 /nfs/dbraw/zinc/22/62/26/135226226.db2.gz QDHSFLWRHYKOGB-QWRGUYRKSA-N 1 0 223.320 -0.028 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261584881 135226148 /nfs/dbraw/zinc/22/61/48/135226148.db2.gz QDHSFLWRHYKOGB-WDEREUQCSA-N 1 0 223.320 -0.028 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261586539 135227653 /nfs/dbraw/zinc/22/76/53/135227653.db2.gz REMQREMBXOXQHN-GFCCVEGCSA-N 1 0 223.320 -0.026 20 30 BBEDRO C=CCNC(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261586541 135227890 /nfs/dbraw/zinc/22/78/90/135227890.db2.gz REMQREMBXOXQHN-LBPRGKRZSA-N 1 0 223.320 -0.026 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000261594424 536300581 /nfs/dbraw/zinc/30/05/81/536300581.db2.gz XMQOQBIUQCEYGU-MRVPVSSYSA-N 1 0 232.309 -0.890 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000261594425 536301057 /nfs/dbraw/zinc/30/10/57/536301057.db2.gz XMQOQBIUQCEYGU-QMMMGPOBSA-N 1 0 232.309 -0.890 20 30 BBEDRO C=CCCS(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000261599702 135237775 /nfs/dbraw/zinc/23/77/75/135237775.db2.gz ZXTPLRDMZKESIY-SECBINFHSA-N 1 0 234.321 -0.448 20 30 BBEDRO C=CCCS(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000261599703 135238022 /nfs/dbraw/zinc/23/80/22/135238022.db2.gz ZXTPLRDMZKESIY-VIFPVBQESA-N 1 0 234.321 -0.448 20 30 BBEDRO CN/C(=[NH+]/C)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261612210 135243816 /nfs/dbraw/zinc/24/38/16/135243816.db2.gz AGGYYRPBWMFDRO-UHFFFAOYSA-N 1 0 241.339 -0.927 20 30 BBEDRO CNC(NC[C@H]1CCN(S(C)(=O)=O)C1)=[NH+]C ZINC000261646673 135242919 /nfs/dbraw/zinc/24/29/19/135242919.db2.gz ACGQEWLEOVXRSH-MRVPVSSYSA-N 1 0 248.352 -0.937 20 30 BBEDRO CNC(NC[C@@H]1CCN(S(C)(=O)=O)C1)=[NH+]C ZINC000261646676 135242913 /nfs/dbraw/zinc/24/29/13/135242913.db2.gz ACGQEWLEOVXRSH-QMMMGPOBSA-N 1 0 248.352 -0.937 20 30 BBEDRO [NH2+]=C(NCC(=O)NC1CC1)NC[C@H]1CCCO1 ZINC000261687754 135246246 /nfs/dbraw/zinc/24/62/46/135246246.db2.gz AWJKLOUNOGORPQ-SECBINFHSA-N 1 0 240.307 -0.652 20 30 BBEDRO [NH2+]=C(NCC(=O)NC1CC1)NC[C@@H]1CCCO1 ZINC000261687755 135246010 /nfs/dbraw/zinc/24/60/10/135246010.db2.gz AWJKLOUNOGORPQ-VIFPVBQESA-N 1 0 240.307 -0.652 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCC(=O)NC1CC1 ZINC000261693474 135245984 /nfs/dbraw/zinc/24/59/84/135245984.db2.gz BLXACNBVXWZKMH-SSDOTTSWSA-N 1 0 212.297 -0.032 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCC(=O)NC1CC1 ZINC000261693478 536146303 /nfs/dbraw/zinc/14/63/03/536146303.db2.gz BLXACNBVXWZKMH-ZETCQYMHSA-N 1 0 212.297 -0.032 20 30 BBEDRO [NH2+]=C(NCCC1(O)CCC1)N1CCOCC1 ZINC000261697357 135246511 /nfs/dbraw/zinc/24/65/11/135246511.db2.gz BXTJIJXHKLKFNE-UHFFFAOYSA-N 1 0 227.308 -0.062 20 30 BBEDRO CC(C)(CNC(=[NH2+])NC[C@H]1CCCO1)C(N)=O ZINC000261697406 135247028 /nfs/dbraw/zinc/24/70/28/135247028.db2.gz BZVHFABKWILAQW-MRVPVSSYSA-N 1 0 242.323 -0.419 20 30 BBEDRO CC(C)(CNC(=[NH2+])NC[C@@H]1CCCO1)C(N)=O ZINC000261697407 135246871 /nfs/dbraw/zinc/24/68/71/135246871.db2.gz BZVHFABKWILAQW-QMMMGPOBSA-N 1 0 242.323 -0.419 20 30 BBEDRO CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)s1 ZINC000261701466 536304883 /nfs/dbraw/zinc/30/48/83/536304883.db2.gz COYSAFJGXCFNJD-UHFFFAOYSA-N 1 0 248.333 -0.570 20 30 BBEDRO CNC(=O)CNC(=[NH+]C)N(C)C[C@H]1CCOC1 ZINC000261712130 641465621 /nfs/dbraw/zinc/46/56/21/641465621.db2.gz VJMNAVYUHRPRDU-SECBINFHSA-N 1 0 242.323 -0.724 20 30 BBEDRO CNC(=O)CNC(=[NH+]C)N(C)C[C@@H]1CCOC1 ZINC000261712131 641466223 /nfs/dbraw/zinc/46/62/23/641466223.db2.gz VJMNAVYUHRPRDU-VIFPVBQESA-N 1 0 242.323 -0.724 20 30 BBEDRO CC(=O)NCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261731495 534346908 /nfs/dbraw/zinc/34/69/08/534346908.db2.gz HIODWOCEFYZLND-SECBINFHSA-N 1 0 228.296 -0.794 20 30 BBEDRO CC(=O)NCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261731499 534346353 /nfs/dbraw/zinc/34/63/53/534346353.db2.gz HIODWOCEFYZLND-VIFPVBQESA-N 1 0 228.296 -0.794 20 30 BBEDRO CNC(=O)CNC(=[NH+]C)N(C)Cc1ccon1 ZINC000261738319 135248919 /nfs/dbraw/zinc/24/89/19/135248919.db2.gz KJQVJTCTCJZHBH-UHFFFAOYSA-N 1 0 239.279 -0.572 20 30 BBEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1COCCO1 ZINC000261738427 135249140 /nfs/dbraw/zinc/24/91/40/135249140.db2.gz ICEPZCOMZFUVAA-NXEZZACHSA-N 1 0 243.307 -0.515 20 30 BBEDRO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1COCCO1 ZINC000261738430 135248860 /nfs/dbraw/zinc/24/88/60/135248860.db2.gz ICEPZCOMZFUVAA-UWVGGRQHSA-N 1 0 243.307 -0.515 20 30 BBEDRO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1COCCO1 ZINC000261738432 135249076 /nfs/dbraw/zinc/24/90/76/135249076.db2.gz ICEPZCOMZFUVAA-VHSXEESVSA-N 1 0 243.307 -0.515 20 30 BBEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1COCCO1 ZINC000261738434 135249229 /nfs/dbraw/zinc/24/92/29/135249229.db2.gz ICEPZCOMZFUVAA-ZJUUUORDSA-N 1 0 243.307 -0.515 20 30 BBEDRO COCCNC(=[NH2+])NCc1cnn(C)c1 ZINC000261748007 135250136 /nfs/dbraw/zinc/25/01/36/135250136.db2.gz JKZYKKCAWVOLQI-UHFFFAOYSA-N 1 0 211.269 -0.529 20 30 BBEDRO N#Cc1ccnc(N2CCN(C(=O)C[NH3+])CC2)c1 ZINC000261749755 132177716 /nfs/dbraw/zinc/17/77/16/132177716.db2.gz WCNHGTANSIOYAO-UHFFFAOYSA-N 1 0 245.286 -0.439 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCCn1cncn1 ZINC000261754509 135111419 /nfs/dbraw/zinc/11/14/19/135111419.db2.gz KQCIKKTXKQJOOG-MRVPVSSYSA-N 1 0 210.285 -0.019 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCCn1cncn1 ZINC000261754510 135110955 /nfs/dbraw/zinc/11/09/55/135110955.db2.gz KQCIKKTXKQJOOG-QMMMGPOBSA-N 1 0 210.285 -0.019 20 30 BBEDRO CN/C(=[NH+]/C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261757722 135111340 /nfs/dbraw/zinc/11/13/40/135111340.db2.gz MOBVMJRIDORXMN-JTQLQIEISA-N 1 0 237.307 -0.001 20 30 BBEDRO CN/C(=[NH+]/C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261757723 135111428 /nfs/dbraw/zinc/11/14/28/135111428.db2.gz MOBVMJRIDORXMN-SNVBAGLBSA-N 1 0 237.307 -0.001 20 30 BBEDRO CNC(=[NH2+])NCC(=O)NCc1ccco1 ZINC000261758252 536304095 /nfs/dbraw/zinc/30/40/95/536304095.db2.gz LBWRIPNMKJVELF-UHFFFAOYSA-N 1 0 210.237 -0.570 20 30 BBEDRO COCCNC(=[NH2+])NCc1cc(C)nn1C ZINC000261761834 135111181 /nfs/dbraw/zinc/11/11/81/135111181.db2.gz LPLGXQLFGHFIRA-UHFFFAOYSA-N 1 0 225.296 -0.221 20 30 BBEDRO CNC(NCc1nnc2n1CCCC2)=[NH+]C ZINC000261767870 135251743 /nfs/dbraw/zinc/25/17/43/135251743.db2.gz MEWWEFSPGIJKFB-UHFFFAOYSA-N 1 0 222.296 -0.091 20 30 BBEDRO C#CCNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261768348 135251833 /nfs/dbraw/zinc/25/18/33/135251833.db2.gz NSTJJECFKHILTC-CYBMUJFWSA-N 1 0 248.330 -0.203 20 30 BBEDRO C#CCNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261768352 135251831 /nfs/dbraw/zinc/25/18/31/135251831.db2.gz NSTJJECFKHILTC-ZDUSSCGKSA-N 1 0 248.330 -0.203 20 30 BBEDRO CNC(=[NH2+])NCC1CCN(S(C)(=O)=O)CC1 ZINC000261772631 135251585 /nfs/dbraw/zinc/25/15/85/135251585.db2.gz GSMSRNIAWWACFY-UHFFFAOYSA-N 1 0 248.352 -0.808 20 30 BBEDRO COCCNC(=[NH2+])NCc1ccnc(C)n1 ZINC000261776719 135251618 /nfs/dbraw/zinc/25/16/18/135251618.db2.gz NKOSTRMMSQDPHF-UHFFFAOYSA-N 1 0 223.280 -0.164 20 30 BBEDRO CN/C(=[NH+]/C)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261787796 135252626 /nfs/dbraw/zinc/25/26/26/135252626.db2.gz QOLGQZFYMAIVFL-LLVKDONJSA-N 1 0 240.351 -0.154 20 30 BBEDRO CN/C(=[NH+]/C)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261787797 135252534 /nfs/dbraw/zinc/25/25/34/135252534.db2.gz QOLGQZFYMAIVFL-NSHDSACASA-N 1 0 240.351 -0.154 20 30 BBEDRO C#CCNC(=[NH+]C)N1CCO[C@H](COC)C1 ZINC000261809581 135112248 /nfs/dbraw/zinc/11/22/48/135112248.db2.gz HQBVAENNICIFPC-JTQLQIEISA-N 1 0 225.292 -0.458 20 30 BBEDRO C#CCNC(=[NH+]C)N1CCO[C@@H](COC)C1 ZINC000261809583 135112275 /nfs/dbraw/zinc/11/22/75/135112275.db2.gz HQBVAENNICIFPC-SNVBAGLBSA-N 1 0 225.292 -0.458 20 30 BBEDRO CN/C(=[NH+]/C)N1CCC[C@H](CC(N)=O)C1 ZINC000261815352 135255570 /nfs/dbraw/zinc/25/55/70/135255570.db2.gz TVKKLZAYIYFPIU-MRVPVSSYSA-N 1 0 212.297 -0.221 20 30 BBEDRO CN/C(=[NH+]/C)N1CCC[C@@H](CC(N)=O)C1 ZINC000261815355 135255462 /nfs/dbraw/zinc/25/54/62/135255462.db2.gz TVKKLZAYIYFPIU-QMMMGPOBSA-N 1 0 212.297 -0.221 20 30 BBEDRO COCCNC(=[NH2+])NCc1cnn(C)c1C ZINC000261849862 135111902 /nfs/dbraw/zinc/11/19/02/135111902.db2.gz QIYQQOZLGVYKRH-UHFFFAOYSA-N 1 0 225.296 -0.221 20 30 BBEDRO C=CCN(C(=O)[C@@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000261852327 135256695 /nfs/dbraw/zinc/25/66/95/135256695.db2.gz NAOUWJSXDXVPRH-BDAKNGLRSA-N 1 0 246.332 -0.465 20 30 BBEDRO C=CCN(C(=O)[C@@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000261852335 135256769 /nfs/dbraw/zinc/25/67/69/135256769.db2.gz NAOUWJSXDXVPRH-RKDXNWHRSA-N 1 0 246.332 -0.465 20 30 BBEDRO COCCNC(=[NH2+])NC[C@H]1CCOC1 ZINC000261870551 135259276 /nfs/dbraw/zinc/25/92/76/135259276.db2.gz OQRPWXBXKCBUPW-MRVPVSSYSA-N 1 0 201.270 -0.426 20 30 BBEDRO COCCNC(=[NH2+])NC[C@@H]1CCOC1 ZINC000261870553 135259358 /nfs/dbraw/zinc/25/93/58/135259358.db2.gz OQRPWXBXKCBUPW-QMMMGPOBSA-N 1 0 201.270 -0.426 20 30 BBEDRO [NH2+]=C(NCCn1cncn1)NC[C@H]1CCCO1 ZINC000261870671 135259127 /nfs/dbraw/zinc/25/91/27/135259127.db2.gz OTBHYCYSWCSQQW-SECBINFHSA-N 1 0 238.295 -0.639 20 30 BBEDRO [NH2+]=C(NCCn1cncn1)NC[C@@H]1CCCO1 ZINC000261870673 135259290 /nfs/dbraw/zinc/25/92/90/135259290.db2.gz OTBHYCYSWCSQQW-VIFPVBQESA-N 1 0 238.295 -0.639 20 30 BBEDRO COCCNC(=[NH2+])NCC1(O)CCCC1 ZINC000261878332 135259159 /nfs/dbraw/zinc/25/91/59/135259159.db2.gz QIPAMAQEIMSWKE-UHFFFAOYSA-N 1 0 215.297 -0.158 20 30 BBEDRO [NH2+]=C(NCC(=O)NCc1ccco1)NC1CC1 ZINC000261880682 135259977 /nfs/dbraw/zinc/25/99/77/135259977.db2.gz QUQXOFHFMNBXCS-UHFFFAOYSA-N 1 0 236.275 -0.038 20 30 BBEDRO Cc1cc(CNC(=[NH2+])N2CCOCC2)n(C)n1 ZINC000261900341 135112221 /nfs/dbraw/zinc/11/22/21/135112221.db2.gz VUYMLHQIJMVWNE-UHFFFAOYSA-N 1 0 237.307 -0.125 20 30 BBEDRO [NH2+]=C(NCCNc1cnccn1)NC1CC1 ZINC000261904005 135261445 /nfs/dbraw/zinc/26/14/45/135261445.db2.gz WRYUMXDZWFGBQW-UHFFFAOYSA-N 1 0 220.280 -0.045 20 30 BBEDRO COCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261907096 135261778 /nfs/dbraw/zinc/26/17/78/135261778.db2.gz XITZYEQPXUCGGT-MRVPVSSYSA-N 1 0 201.270 -0.284 20 30 BBEDRO COCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261907097 135261927 /nfs/dbraw/zinc/26/19/27/135261927.db2.gz XITZYEQPXUCGGT-QMMMGPOBSA-N 1 0 201.270 -0.284 20 30 BBEDRO CNC(=[NH2+])NCCS(=O)(=O)c1ccccc1 ZINC000261908070 135113475 /nfs/dbraw/zinc/11/34/75/135113475.db2.gz XLKNVTYSXBDIKL-UHFFFAOYSA-N 1 0 241.316 -0.006 20 30 BBEDRO CS(=O)(=O)CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261914151 135262716 /nfs/dbraw/zinc/26/27/16/135262716.db2.gz YYYNLKUJZUYEKP-MRVPVSSYSA-N 1 0 249.336 -0.886 20 30 BBEDRO CS(=O)(=O)CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261914154 135262840 /nfs/dbraw/zinc/26/28/40/135262840.db2.gz YYYNLKUJZUYEKP-QMMMGPOBSA-N 1 0 249.336 -0.886 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000261918882 534861955 /nfs/dbraw/zinc/86/19/55/534861955.db2.gz ZEYPOABNEZATDQ-SECBINFHSA-N 1 0 240.307 -0.708 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000261918884 135262684 /nfs/dbraw/zinc/26/26/84/135262684.db2.gz ZEYPOABNEZATDQ-VIFPVBQESA-N 1 0 240.307 -0.708 20 30 BBEDRO C#CCNC(=[NH+]CC)N1CCO[C@@H](COC)C1 ZINC000261921814 533142663 /nfs/dbraw/zinc/14/26/63/533142663.db2.gz KOLORUSINIRRBD-LLVKDONJSA-N 1 0 239.319 -0.068 20 30 BBEDRO C#CCNC(=[NH+]CC)N1CCO[C@H](COC)C1 ZINC000261921817 533142678 /nfs/dbraw/zinc/14/26/78/533142678.db2.gz KOLORUSINIRRBD-NSHDSACASA-N 1 0 239.319 -0.068 20 30 BBEDRO C#CCCNC(=[NH+]C)N1CCO[C@@H](COC)C1 ZINC000261933412 533043862 /nfs/dbraw/zinc/04/38/62/533043862.db2.gz LVGUKHXZOLMTOV-LLVKDONJSA-N 1 0 239.319 -0.068 20 30 BBEDRO C#CCCNC(=[NH+]C)N1CCO[C@H](COC)C1 ZINC000261933414 533043811 /nfs/dbraw/zinc/04/38/11/533043811.db2.gz LVGUKHXZOLMTOV-NSHDSACASA-N 1 0 239.319 -0.068 20 30 BBEDRO C[NH+]=C(NCc1nnc(C)n1C)NC1CC1 ZINC000261933788 135112958 /nfs/dbraw/zinc/11/29/58/135112958.db2.gz BZTSPVFRLBIGFB-UHFFFAOYSA-N 1 0 222.296 -0.049 20 30 BBEDRO CNC(=[NH2+])N1CCS(=O)(=O)C(C)(C)C1 ZINC000261937444 135264607 /nfs/dbraw/zinc/26/46/07/135264607.db2.gz CSSGHPFLCFOUBB-UHFFFAOYSA-N 1 0 219.310 -0.560 20 30 BBEDRO CNC(NCC(=O)Nc1cccnc1)=[NH+]C ZINC000261946057 135265337 /nfs/dbraw/zinc/26/53/37/135265337.db2.gz FYPOISXAUROFNX-UHFFFAOYSA-N 1 0 221.264 -0.185 20 30 BBEDRO CC[NH+]=C(NCCO)N1CCO[C@H](COC)C1 ZINC000261947666 535261590 /nfs/dbraw/zinc/26/15/90/535261590.db2.gz NLUKTGJYZDCHRJ-JTQLQIEISA-N 1 0 245.323 -0.709 20 30 BBEDRO CC[NH+]=C(NCCO)N1CCO[C@@H](COC)C1 ZINC000261947667 535262101 /nfs/dbraw/zinc/26/21/01/535262101.db2.gz NLUKTGJYZDCHRJ-SNVBAGLBSA-N 1 0 245.323 -0.709 20 30 BBEDRO CNC(NCC(=O)NCc1ccco1)=[NH+]C ZINC000261948084 135264868 /nfs/dbraw/zinc/26/48/68/135264868.db2.gz GLYBWCXLWSKVSI-UHFFFAOYSA-N 1 0 224.264 -0.309 20 30 BBEDRO COCCNC(=[NH2+])NCc1c[nH]nc1C ZINC000261951635 135113549 /nfs/dbraw/zinc/11/35/49/135113549.db2.gz HPMVOPWMXYOYOS-UHFFFAOYSA-N 1 0 211.269 -0.231 20 30 BBEDRO C[NH+]=C(NCCN1CCC1)N1CCC(O)CC1 ZINC000261952487 533477612 /nfs/dbraw/zinc/47/76/12/533477612.db2.gz ZDHKLQMAQVRICK-UHFFFAOYSA-N 1 0 240.351 -0.276 20 30 BBEDRO CN/C(=[NH+]/C)N1CCO[C@@H](COC)C1 ZINC000261961083 135267190 /nfs/dbraw/zinc/26/71/90/135267190.db2.gz PFRFYZLVXDOHQF-MRVPVSSYSA-N 1 0 201.270 -0.461 20 30 BBEDRO CN/C(=[NH+]/C)N1CCO[C@H](COC)C1 ZINC000261961084 135266957 /nfs/dbraw/zinc/26/69/57/135266957.db2.gz PFRFYZLVXDOHQF-QMMMGPOBSA-N 1 0 201.270 -0.461 20 30 BBEDRO [NH2+]=C(NC[C@H](O)C(F)(F)F)N1CCOCC1 ZINC000261964260 135267497 /nfs/dbraw/zinc/26/74/97/135267497.db2.gz AQMJZGHPSNTMST-LURJTMIESA-N 1 0 241.213 -0.444 20 30 BBEDRO [NH2+]=C(NC[C@@H](O)C(F)(F)F)N1CCOCC1 ZINC000261964262 135266737 /nfs/dbraw/zinc/26/67/37/135266737.db2.gz AQMJZGHPSNTMST-ZCFIWIBFSA-N 1 0 241.213 -0.444 20 30 BBEDRO CC(C)(C)NC(=[NH2+])NCCn1cncn1 ZINC000261967523 534662846 /nfs/dbraw/zinc/66/28/46/534662846.db2.gz BTFZZOQVVLNPEO-UHFFFAOYSA-N 1 0 210.285 -0.019 20 30 BBEDRO Cc1noc(CNC(=[NH2+])N2CCOCC2)n1 ZINC000261968172 135267104 /nfs/dbraw/zinc/26/71/04/135267104.db2.gz CDPOZHLNCYKFAZ-UHFFFAOYSA-N 1 0 225.252 -0.475 20 30 BBEDRO CS(=O)(=O)CCNC(=[NH2+])NCC1CCC1 ZINC000261969567 135267693 /nfs/dbraw/zinc/26/76/93/135267693.db2.gz CPRQKODOQWJFOB-UHFFFAOYSA-N 1 0 233.337 -0.265 20 30 BBEDRO CCN(CC)C(=[NH2+])NCCn1cncn1 ZINC000261970675 535389436 /nfs/dbraw/zinc/38/94/36/535389436.db2.gz CXIGZQZCTLHKAR-UHFFFAOYSA-N 1 0 210.285 -0.065 20 30 BBEDRO CN(C)C(=[NH+]C[C@H]1CN(C)CCO1)N(C)C ZINC000261971475 135268117 /nfs/dbraw/zinc/26/81/17/135268117.db2.gz DJUJUEQIVBGWJL-JTQLQIEISA-N 1 0 228.340 -0.204 20 30 BBEDRO CN(C)C(=[NH+]C[C@@H]1CN(C)CCO1)N(C)C ZINC000261971478 135268169 /nfs/dbraw/zinc/26/81/69/135268169.db2.gz DJUJUEQIVBGWJL-SNVBAGLBSA-N 1 0 228.340 -0.204 20 30 BBEDRO CN/C(=[NH+]/C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261971693 135267835 /nfs/dbraw/zinc/26/78/35/135267835.db2.gz MZSIDDPFHPEUOK-UHFFFAOYSA-N 1 0 233.337 -0.299 20 30 BBEDRO C[NH+]=C(NC[C@@H]1CC[C@H](C(N)=O)O1)NC1CC1 ZINC000261972872 536304707 /nfs/dbraw/zinc/30/47/07/536304707.db2.gz NEKCUCYHRCSEIO-DTWKUNHWSA-N 1 0 240.307 -0.653 20 30 BBEDRO C[NH+]=C(NC[C@@H]1CC[C@@H](C(N)=O)O1)NC1CC1 ZINC000261972875 536304436 /nfs/dbraw/zinc/30/44/36/536304436.db2.gz NEKCUCYHRCSEIO-IUCAKERBSA-N 1 0 240.307 -0.653 20 30 BBEDRO [NH2+]=C(NC[C@@H]1COCCO1)N1CCSCC1 ZINC000261973866 135267923 /nfs/dbraw/zinc/26/79/23/135267923.db2.gz FDWSNXAPGSAWTG-SECBINFHSA-N 1 0 245.348 -0.235 20 30 BBEDRO [NH2+]=C(NC[C@H]1COCCO1)N1CCSCC1 ZINC000261973872 135267659 /nfs/dbraw/zinc/26/76/59/135267659.db2.gz FDWSNXAPGSAWTG-VIFPVBQESA-N 1 0 245.348 -0.235 20 30 BBEDRO CC(C)NC(=[NH2+])NCC1(C(N)=O)CCOCC1 ZINC000261976241 535125043 /nfs/dbraw/zinc/12/50/43/535125043.db2.gz GCEGSLDQJGZOIL-UHFFFAOYSA-N 1 0 242.323 -0.419 20 30 BBEDRO C#CCNC(NCc1nnc(C)n1C)=[NH+]C1CC1 ZINC000261978939 533141360 /nfs/dbraw/zinc/14/13/60/533141360.db2.gz OKSHXBGRZWQIDW-UHFFFAOYSA-N 1 0 246.318 -0.046 20 30 BBEDRO CC(C)(CNC(=[NH2+])N1CCSCC1)C(N)=O ZINC000261979210 135268629 /nfs/dbraw/zinc/26/86/29/135268629.db2.gz HIXWDAIITTYZIK-UHFFFAOYSA-N 1 0 244.364 -0.139 20 30 BBEDRO [NH2+]=C(NCCn1cncn1)NCC1CCC1 ZINC000261981427 135269148 /nfs/dbraw/zinc/26/91/48/135269148.db2.gz IBLPZXJWARPICI-UHFFFAOYSA-N 1 0 222.296 -0.018 20 30 BBEDRO CS(=O)(=O)NCCNC(=[NH2+])NCC1CCC1 ZINC000261986742 135269695 /nfs/dbraw/zinc/26/96/95/135269695.db2.gz KEMRAOUMIHZPNJ-UHFFFAOYSA-N 1 0 248.352 -0.760 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCn1cncn1 ZINC000261988531 135270050 /nfs/dbraw/zinc/27/00/50/135270050.db2.gz KZMVQOOCUKSKTJ-UHFFFAOYSA-N 1 0 208.269 -0.242 20 30 BBEDRO [NH2+]=C(NC[C@@H]1COCCO1)N1CCOCC1 ZINC000261989543 135270005 /nfs/dbraw/zinc/27/00/05/135270005.db2.gz LJCISLNYMDRYCX-SECBINFHSA-N 1 0 229.280 -0.951 20 30 BBEDRO [NH2+]=C(NC[C@H]1COCCO1)N1CCOCC1 ZINC000261989546 135269544 /nfs/dbraw/zinc/26/95/44/135269544.db2.gz LJCISLNYMDRYCX-VIFPVBQESA-N 1 0 229.280 -0.951 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1COCCO1 ZINC000261990828 533511316 /nfs/dbraw/zinc/51/13/16/533511316.db2.gz LTDXCOQEICXTCT-SECBINFHSA-N 1 0 213.281 -0.118 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@H]1COCCO1 ZINC000261990829 135269530 /nfs/dbraw/zinc/26/95/30/135269530.db2.gz LTDXCOQEICXTCT-VIFPVBQESA-N 1 0 213.281 -0.118 20 30 BBEDRO CC(C)NC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000261990961 135269776 /nfs/dbraw/zinc/26/97/76/135269776.db2.gz LZNTXFSICJCWCF-UHFFFAOYSA-N 1 0 248.352 -0.665 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1COCCO1 ZINC000261992772 536520992 /nfs/dbraw/zinc/52/09/92/536520992.db2.gz MSMYIRGZWYJSAL-BDAKNGLRSA-N 1 0 231.296 -0.659 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1COCCO1 ZINC000261992775 135270486 /nfs/dbraw/zinc/27/04/86/135270486.db2.gz MSMYIRGZWYJSAL-DTWKUNHWSA-N 1 0 231.296 -0.659 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1COCCO1 ZINC000261992779 135270616 /nfs/dbraw/zinc/27/06/16/135270616.db2.gz MSMYIRGZWYJSAL-IUCAKERBSA-N 1 0 231.296 -0.659 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1COCCO1 ZINC000261992781 536520545 /nfs/dbraw/zinc/52/05/45/536520545.db2.gz MSMYIRGZWYJSAL-RKDXNWHRSA-N 1 0 231.296 -0.659 20 30 BBEDRO [NH2+]=C(NCCn1cccn1)N1CCOCC1 ZINC000261995731 135270664 /nfs/dbraw/zinc/27/06/64/135270664.db2.gz NSBLKXIQGSOXOO-UHFFFAOYSA-N 1 0 223.280 -0.470 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000261996009 135114536 /nfs/dbraw/zinc/11/45/36/135114536.db2.gz SLHTXCJSLLCOLR-SECBINFHSA-N 1 0 212.297 -0.593 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000261996010 135114902 /nfs/dbraw/zinc/11/49/02/135114902.db2.gz SLHTXCJSLLCOLR-VIFPVBQESA-N 1 0 212.297 -0.593 20 30 BBEDRO CNC(NCc1ccc(C(N)=O)o1)=[NH+]C ZINC000262001962 135271767 /nfs/dbraw/zinc/27/17/67/135271767.db2.gz UPYJWZBYZFSQNB-UHFFFAOYSA-N 1 0 210.237 -0.327 20 30 BBEDRO C#CCNC(NC[C@@]1(CCO)CCOC1)=[NH+]C ZINC000262002627 533140948 /nfs/dbraw/zinc/14/09/48/533140948.db2.gz UTQQLHXGJZCEBX-GFCCVEGCSA-N 1 0 239.319 -0.426 20 30 BBEDRO C#CCNC(NC[C@]1(CCO)CCOC1)=[NH+]C ZINC000262002630 533140657 /nfs/dbraw/zinc/14/06/57/533140657.db2.gz UTQQLHXGJZCEBX-LBPRGKRZSA-N 1 0 239.319 -0.426 20 30 BBEDRO [NH2+]=C(NCCn1ccnc1)NC[C@@H]1CCCO1 ZINC000262002791 135271396 /nfs/dbraw/zinc/27/13/96/135271396.db2.gz UVAQPGLEKOMJLI-JTQLQIEISA-N 1 0 237.307 -0.034 20 30 BBEDRO [NH2+]=C(NCCn1ccnc1)NC[C@H]1CCCO1 ZINC000262002794 135271622 /nfs/dbraw/zinc/27/16/22/135271622.db2.gz UVAQPGLEKOMJLI-SNVBAGLBSA-N 1 0 237.307 -0.034 20 30 BBEDRO C#CC[NH+]=C(NCC=C)NCc1nnc(C)n1C ZINC000262003493 533142116 /nfs/dbraw/zinc/14/21/16/533142116.db2.gz UZBZUWZAQKNNBN-UHFFFAOYSA-N 1 0 246.318 -0.022 20 30 BBEDRO Cc1n[nH]cc1CNC(=[NH2+])N1CCOCC1 ZINC000262003858 135114494 /nfs/dbraw/zinc/11/44/94/135114494.db2.gz QTOFTIAHKSHKLF-UHFFFAOYSA-N 1 0 223.280 -0.135 20 30 BBEDRO CCNC(=[NH2+])N1CCS(=O)(=O)C(C)(C)C1 ZINC000262007185 135272281 /nfs/dbraw/zinc/27/22/81/135272281.db2.gz VWLQLCASQYLRAL-UHFFFAOYSA-N 1 0 233.337 -0.170 20 30 BBEDRO CN(C)C(=[NH+]CCn1cncn1)N(C)C ZINC000262007794 135114862 /nfs/dbraw/zinc/11/48/62/135114862.db2.gz SEHAZFKPSDOBKL-UHFFFAOYSA-N 1 0 210.285 -0.243 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCc1nc(C)no1 ZINC000262008821 135272146 /nfs/dbraw/zinc/27/21/46/135272146.db2.gz SMCOZMWYVLEBJC-LURJTMIESA-N 1 0 227.268 -0.183 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCc1nc(C)no1 ZINC000262008824 536521009 /nfs/dbraw/zinc/52/10/09/536521009.db2.gz SMCOZMWYVLEBJC-ZCFIWIBFSA-N 1 0 227.268 -0.183 20 30 BBEDRO C[NH+]=C(NCCO)N1CC[C@@]2(CCOC2)C1 ZINC000262009759 533478320 /nfs/dbraw/zinc/47/83/20/533478320.db2.gz WHLNTRNKLGOESD-LLVKDONJSA-N 1 0 227.308 -0.334 20 30 BBEDRO C[NH+]=C(NCCO)N1CC[C@]2(CCOC2)C1 ZINC000262009768 533478228 /nfs/dbraw/zinc/47/82/28/533478228.db2.gz WHLNTRNKLGOESD-NSHDSACASA-N 1 0 227.308 -0.334 20 30 BBEDRO CCC(=O)N1CC[C@@H](NC(NC)=[NH+]C)C1 ZINC000262010682 135114373 /nfs/dbraw/zinc/11/43/73/135114373.db2.gz WOKPZDUJDTXFBA-MRVPVSSYSA-N 1 0 212.297 -0.208 20 30 BBEDRO CCC(=O)N1CC[C@H](NC(NC)=[NH+]C)C1 ZINC000262010685 135271967 /nfs/dbraw/zinc/27/19/67/135271967.db2.gz WOKPZDUJDTXFBA-QMMMGPOBSA-N 1 0 212.297 -0.208 20 30 BBEDRO [NH2+]=C(NCC1(O)CCOCC1)N1CCOCC1 ZINC000262011867 135114615 /nfs/dbraw/zinc/11/46/15/135114615.db2.gz UJVMWJPFIFNFHY-UHFFFAOYSA-N 1 0 243.307 -0.825 20 30 BBEDRO C[NH+](C)[C@H](CNC(=[NH2+])N1CCOCC1)C1CC1 ZINC000262015136 135273156 /nfs/dbraw/zinc/27/31/56/135273156.db2.gz VRVCJPDEBGLGBP-LLVKDONJSA-N 1 0 240.351 -0.027 20 30 BBEDRO C[NH+](C)[C@@H](CNC(=[NH2+])N1CCOCC1)C1CC1 ZINC000262015139 135272890 /nfs/dbraw/zinc/27/28/90/135272890.db2.gz VRVCJPDEBGLGBP-NSHDSACASA-N 1 0 240.351 -0.027 20 30 BBEDRO Cc1nccn1CCNC(=[NH2+])N1CCOCC1 ZINC000262015895 135114012 /nfs/dbraw/zinc/11/40/12/135114012.db2.gz VYDZXROWWBUNFI-UHFFFAOYSA-N 1 0 237.307 -0.162 20 30 BBEDRO C[C@@H](O)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262017248 135272732 /nfs/dbraw/zinc/27/27/32/135272732.db2.gz YARHSCGMMAPZTM-HTQZYQBOSA-N 1 0 201.270 -0.550 20 30 BBEDRO C[C@H](O)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262017249 135272858 /nfs/dbraw/zinc/27/28/58/135272858.db2.gz YARHSCGMMAPZTM-JGVFFNPUSA-N 1 0 201.270 -0.550 20 30 BBEDRO C[C@@H](O)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262017251 135272997 /nfs/dbraw/zinc/27/29/97/135272997.db2.gz YARHSCGMMAPZTM-SFYZADRCSA-N 1 0 201.270 -0.550 20 30 BBEDRO C[C@H](O)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262017252 135273329 /nfs/dbraw/zinc/27/33/29/135273329.db2.gz YARHSCGMMAPZTM-YUMQZZPRSA-N 1 0 201.270 -0.550 20 30 BBEDRO Cc1noc(CCNC(=[NH2+])N2CCOCC2)n1 ZINC000262018572 135272860 /nfs/dbraw/zinc/27/28/60/135272860.db2.gz WZBRKCPLOYAZBV-UHFFFAOYSA-N 1 0 239.279 -0.433 20 30 BBEDRO [NH2+]=C(NCC1(O)CCCC1)N1CCOCC1 ZINC000262019447 135273097 /nfs/dbraw/zinc/27/30/97/135273097.db2.gz XDXRZJLTDCISPQ-UHFFFAOYSA-N 1 0 227.308 -0.062 20 30 BBEDRO CCS(=O)(=O)CCNC(=[NH2+])N1CCOCC1 ZINC000262019462 135273224 /nfs/dbraw/zinc/27/32/24/135273224.db2.gz XERNRRDYPXYPMR-UHFFFAOYSA-N 1 0 249.336 -0.932 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCc1nccn1C ZINC000262019623 536520002 /nfs/dbraw/zinc/52/00/02/536520002.db2.gz XJMIGVNNIOCWMA-MRVPVSSYSA-N 1 0 225.296 -0.141 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCc1nccn1C ZINC000262019625 135273462 /nfs/dbraw/zinc/27/34/62/135273462.db2.gz XJMIGVNNIOCWMA-QMMMGPOBSA-N 1 0 225.296 -0.141 20 30 BBEDRO Cn1ccnc1CNC(=[NH2+])N1CCOCC1 ZINC000262019644 135114327 /nfs/dbraw/zinc/11/43/27/135114327.db2.gz XKBLQPAVBAPZKL-UHFFFAOYSA-N 1 0 223.280 -0.433 20 30 BBEDRO CCn1cnnc1CNC(=[NH2+])N1CCOCC1 ZINC000262020179 135273125 /nfs/dbraw/zinc/27/31/25/135273125.db2.gz XSBGKGITIUPFET-UHFFFAOYSA-N 1 0 238.295 -0.555 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000262021175 135114817 /nfs/dbraw/zinc/11/48/17/135114817.db2.gz XWTKFCDAFZQPFB-JTQLQIEISA-N 1 0 226.324 -0.203 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000262021179 533510411 /nfs/dbraw/zinc/51/04/11/533510411.db2.gz XWTKFCDAFZQPFB-SNVBAGLBSA-N 1 0 226.324 -0.203 20 30 BBEDRO Cn1cnnc1CNC(=[NH2+])N1CCSCC1 ZINC000262026749 135273589 /nfs/dbraw/zinc/27/35/89/135273589.db2.gz ZQLVNIZGWLKXBX-UHFFFAOYSA-N 1 0 240.336 -0.321 20 30 BBEDRO CCS(=O)(=O)CCNC(NC1CC1)=[NH+]C ZINC000262069645 535627777 /nfs/dbraw/zinc/62/77/77/535627777.db2.gz BWWYWPZWLICNQW-UHFFFAOYSA-N 1 0 233.337 -0.252 20 30 BBEDRO C=CCNC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000262072092 534845085 /nfs/dbraw/zinc/84/50/85/534845085.db2.gz CPSJRGXQOFMUKQ-UHFFFAOYSA-N 1 0 219.252 -0.760 20 30 BBEDRO Cc1noc(CNC(=[NH2+])NC[C@H]2CCCO2)n1 ZINC000262073059 135278189 /nfs/dbraw/zinc/27/81/89/135278189.db2.gz CVQXBIIMNCRQIE-MRVPVSSYSA-N 1 0 239.279 -0.039 20 30 BBEDRO Cc1noc(CNC(=[NH2+])NC[C@@H]2CCCO2)n1 ZINC000262073060 135278115 /nfs/dbraw/zinc/27/81/15/135278115.db2.gz CVQXBIIMNCRQIE-QMMMGPOBSA-N 1 0 239.279 -0.039 20 30 BBEDRO C[NH+]=C(NCC(=O)N1CCCC1)NC1CC1 ZINC000262075755 135277784 /nfs/dbraw/zinc/27/77/84/135277784.db2.gz DFYJBGKPVBARHQ-UHFFFAOYSA-N 1 0 224.308 -0.064 20 30 BBEDRO C[NH+]=C(NCCS(C)(=O)=O)N1CCCC1 ZINC000262078562 533478447 /nfs/dbraw/zinc/47/84/47/533478447.db2.gz DPEPJXSGTMUDLV-UHFFFAOYSA-N 1 0 233.337 -0.298 20 30 BBEDRO C[NH+]=C(NCCn1cncn1)N1CCCC1 ZINC000262090832 135114387 /nfs/dbraw/zinc/11/43/87/135114387.db2.gz GUOLRIANIKDKPU-UHFFFAOYSA-N 1 0 222.296 -0.051 20 30 BBEDRO N#Cc1ncn(CCNC(=[NH2+])NC2CCCC2)n1 ZINC000262092319 135115241 /nfs/dbraw/zinc/11/52/41/135115241.db2.gz HFYPBBYQKQSCDQ-UHFFFAOYSA-N 1 0 247.306 -0.003 20 30 BBEDRO C[NH+]=C(NCCn1cncn1)NC1CC1 ZINC000262105577 135115423 /nfs/dbraw/zinc/11/54/23/135115423.db2.gz JNZAKNJTYSZZDT-UHFFFAOYSA-N 1 0 208.269 -0.395 20 30 BBEDRO C=CCNC(=O)CNC(NC1CC1)=[NH+]C ZINC000262114738 534855780 /nfs/dbraw/zinc/85/57/80/534855780.db2.gz IXRGNRUGSOMRHF-UHFFFAOYSA-N 1 0 210.281 -0.384 20 30 BBEDRO CC1CCN(C(=[NH2+])NCC(=O)NCC#N)CC1 ZINC000262120491 135280757 /nfs/dbraw/zinc/28/07/57/135280757.db2.gz MANIFWBNLPNAGI-UHFFFAOYSA-N 1 0 237.307 -0.118 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000262124772 135115405 /nfs/dbraw/zinc/11/54/05/135115405.db2.gz MTLQLTQAQOYLCV-MRVPVSSYSA-N 1 0 235.295 -0.147 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000262124775 135116092 /nfs/dbraw/zinc/11/60/92/135116092.db2.gz MTLQLTQAQOYLCV-QMMMGPOBSA-N 1 0 235.295 -0.147 20 30 BBEDRO CNC(=[NH2+])NC[C@H]1CCCCN1S(C)(=O)=O ZINC000262127952 135280647 /nfs/dbraw/zinc/28/06/47/135280647.db2.gz NIFADOIQCLQSSR-MRVPVSSYSA-N 1 0 248.352 -0.665 20 30 BBEDRO CNC(=[NH2+])NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000262127954 135280652 /nfs/dbraw/zinc/28/06/52/135280652.db2.gz NIFADOIQCLQSSR-QMMMGPOBSA-N 1 0 248.352 -0.665 20 30 BBEDRO N#CCNC(=O)CNC(=[NH2+])NC1CCCC1 ZINC000262127977 135280771 /nfs/dbraw/zinc/28/07/71/135280771.db2.gz NIXGSTSQQSFWSH-UHFFFAOYSA-N 1 0 223.280 -0.527 20 30 BBEDRO C[NH+]=C(NCC(=O)NCC#N)NCc1ccco1 ZINC000262129360 135280361 /nfs/dbraw/zinc/28/03/61/135280361.db2.gz NMXVBGYYTQTJCT-UHFFFAOYSA-N 1 0 249.274 -0.416 20 30 BBEDRO CCS(=O)(=O)NCCNC(NC1CC1)=[NH+]C ZINC000262133851 135280905 /nfs/dbraw/zinc/28/09/05/135280905.db2.gz OHZCWAWZGDWIOL-UHFFFAOYSA-N 1 0 248.352 -0.747 20 30 BBEDRO CN/C(=[NH+]/C)N1CCCN(C(C)=O)CC1 ZINC000262134033 135281321 /nfs/dbraw/zinc/28/13/21/135281321.db2.gz OKVHKSMRRLDOOW-UHFFFAOYSA-N 1 0 212.297 -0.254 20 30 BBEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CCCC1 ZINC000262134086 533477468 /nfs/dbraw/zinc/47/74/68/533477468.db2.gz OLXJBKSKFXBRMH-UHFFFAOYSA-N 1 0 248.352 -0.793 20 30 BBEDRO C[NH+]=C(NCC(=O)NC1CC1)N1CCCC1 ZINC000262134099 135281396 /nfs/dbraw/zinc/28/13/96/135281396.db2.gz OMELEGYSMPOPOO-UHFFFAOYSA-N 1 0 224.308 -0.064 20 30 BBEDRO [NH2+]=C(NCCC1(O)CCOCC1)NC1CC1 ZINC000262137447 135281293 /nfs/dbraw/zinc/28/12/93/135281293.db2.gz PAQXHGDWDUKBKP-UHFFFAOYSA-N 1 0 227.308 -0.015 20 30 BBEDRO C[NH+]=C(NC[C@@H]1COCCO1)NC1CC1 ZINC000262138812 135281274 /nfs/dbraw/zinc/28/12/74/135281274.db2.gz PIGFJLWUAASVCR-SECBINFHSA-N 1 0 213.281 -0.271 20 30 BBEDRO C[NH+]=C(NC[C@H]1COCCO1)NC1CC1 ZINC000262138814 135281315 /nfs/dbraw/zinc/28/13/15/135281315.db2.gz PIGFJLWUAASVCR-VIFPVBQESA-N 1 0 213.281 -0.271 20 30 BBEDRO CNC(NC[C@H]1CCCCS1(=O)=O)=[NH+]C ZINC000262157471 135283106 /nfs/dbraw/zinc/28/31/06/135283106.db2.gz AQBBACYYAYRRFH-MRVPVSSYSA-N 1 0 233.337 -0.252 20 30 BBEDRO CNC(NC[C@@H]1CCCCS1(=O)=O)=[NH+]C ZINC000262157472 135283045 /nfs/dbraw/zinc/28/30/45/135283045.db2.gz AQBBACYYAYRRFH-QMMMGPOBSA-N 1 0 233.337 -0.252 20 30 BBEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCCC1 ZINC000262163510 135283103 /nfs/dbraw/zinc/28/31/03/135283103.db2.gz TYQFLLMTJIGYON-UHFFFAOYSA-N 1 0 212.297 -0.254 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@](C)([NH3+])CCC ZINC000262169165 166370368 /nfs/dbraw/zinc/37/03/68/166370368.db2.gz WQCHHGXZYFRKHS-LLVKDONJSA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@](C)([NH3+])CCC ZINC000262169166 166370494 /nfs/dbraw/zinc/37/04/94/166370494.db2.gz WQCHHGXZYFRKHS-NSHDSACASA-N 1 0 227.308 -0.078 20 30 BBEDRO CN(C(=[NH2+])NCC(=O)NCC1CC1)C1CC1 ZINC000262175066 135283686 /nfs/dbraw/zinc/28/36/86/135283686.db2.gz CWZGGANWUYGDMW-UHFFFAOYSA-N 1 0 224.308 -0.079 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000262176498 135283708 /nfs/dbraw/zinc/28/37/08/135283708.db2.gz DZQSCLOQUPONSZ-SECBINFHSA-N 1 0 241.339 -0.879 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000262176499 135283795 /nfs/dbraw/zinc/28/37/95/135283795.db2.gz DZQSCLOQUPONSZ-VIFPVBQESA-N 1 0 241.339 -0.879 20 30 BBEDRO CN(C(=[NH2+])NC[C@H]1CN(C)CCO1)C1CC1 ZINC000262180294 135284863 /nfs/dbraw/zinc/28/48/63/135284863.db2.gz DPWXEVLMKRWJBP-JTQLQIEISA-N 1 0 226.324 -0.274 20 30 BBEDRO CN(C(=[NH2+])NC[C@@H]1CN(C)CCO1)C1CC1 ZINC000262180296 135284710 /nfs/dbraw/zinc/28/47/10/135284710.db2.gz DPWXEVLMKRWJBP-SNVBAGLBSA-N 1 0 226.324 -0.274 20 30 BBEDRO C[NH+]=C(NCCS(C)(=O)=O)NC1CC1 ZINC000262182886 533478468 /nfs/dbraw/zinc/47/84/68/533478468.db2.gz XAPZQXDNEGHACN-UHFFFAOYSA-N 1 0 219.310 -0.642 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@H]1CCCCS1(=O)=O ZINC000262183489 135284469 /nfs/dbraw/zinc/28/44/69/135284469.db2.gz DXNARFXKRHBBMY-MRVPVSSYSA-N 1 0 233.337 -0.170 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@@H]1CCCCS1(=O)=O ZINC000262183490 135284535 /nfs/dbraw/zinc/28/45/35/135284535.db2.gz DXNARFXKRHBBMY-QMMMGPOBSA-N 1 0 233.337 -0.170 20 30 BBEDRO C[NH+]=C(NCc1nncn1C)N1CCCC1 ZINC000262185637 135284460 /nfs/dbraw/zinc/28/44/60/135284460.db2.gz XMFSIKMTCTYVCM-UHFFFAOYSA-N 1 0 222.296 -0.014 20 30 BBEDRO C[NH+]=C(NCCn1cnc(C#N)n1)NC1CC1 ZINC000262188947 536304216 /nfs/dbraw/zinc/30/42/16/536304216.db2.gz YDVUVFPENGTRMZ-UHFFFAOYSA-N 1 0 233.279 -0.523 20 30 BBEDRO [NH2+]=C(NCC(=O)NC1CC1)NCC1CCC1 ZINC000262189537 135284956 /nfs/dbraw/zinc/28/49/56/135284956.db2.gz CCXMZCHDVOABCK-UHFFFAOYSA-N 1 0 224.308 -0.031 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N1CCSCC1 ZINC000262192143 534856206 /nfs/dbraw/zinc/85/62/06/534856206.db2.gz RFGFGSFXQFEYIX-UHFFFAOYSA-N 1 0 242.348 -0.348 20 30 BBEDRO CN(C(=[NH2+])NC[C@@H]1COCCO1)C1CC1 ZINC000262194080 135116840 /nfs/dbraw/zinc/11/68/40/135116840.db2.gz GJPXLHPOZURPPI-SECBINFHSA-N 1 0 213.281 -0.189 20 30 BBEDRO CN(C(=[NH2+])NC[C@H]1COCCO1)C1CC1 ZINC000262194082 135285630 /nfs/dbraw/zinc/28/56/30/135285630.db2.gz GJPXLHPOZURPPI-VIFPVBQESA-N 1 0 213.281 -0.189 20 30 BBEDRO CN1CC[NH+]=C1NCCC1(O)CCOCC1 ZINC000262200866 135289922 /nfs/dbraw/zinc/28/99/22/135289922.db2.gz ASSAOVLVJZTGCM-UHFFFAOYSA-N 1 0 227.308 -0.191 20 30 BBEDRO CC(C)NC(=O)CNC(=[NH2+])N(C)C1CC1 ZINC000262201716 135290094 /nfs/dbraw/zinc/29/00/94/135290094.db2.gz HLDCRHOILZQCIJ-UHFFFAOYSA-N 1 0 212.297 -0.080 20 30 BBEDRO CN(C(=[NH2+])NCCn1cncn1)C1CC1 ZINC000262216886 135285697 /nfs/dbraw/zinc/28/56/97/135285697.db2.gz JTOZLWGOVZMBPY-UHFFFAOYSA-N 1 0 208.269 -0.313 20 30 BBEDRO CCS(=O)(=O)NCCNC(=[NH2+])N(C)C1CC1 ZINC000262221181 135285249 /nfs/dbraw/zinc/28/52/49/135285249.db2.gz KJLARKOUAPWVLE-UHFFFAOYSA-N 1 0 248.352 -0.665 20 30 BBEDRO [NH2+]=C(NCCn1ccnc1)N1CCOCC1 ZINC000262223325 135117121 /nfs/dbraw/zinc/11/71/21/135117121.db2.gz FXEHDBDILJGDTB-UHFFFAOYSA-N 1 0 223.280 -0.470 20 30 BBEDRO C#CCNC(NCC(=O)N(C)C)=[NH+]C1CC1 ZINC000262225167 533141208 /nfs/dbraw/zinc/14/12/08/533141208.db2.gz MBBQCSHVWZUDOE-UHFFFAOYSA-N 1 0 222.292 -0.595 20 30 BBEDRO CNC(NC[C@@H]1COC2(CCOCC2)O1)=[NH+]C ZINC000262228421 135286682 /nfs/dbraw/zinc/28/66/82/135286682.db2.gz WKAMAIOTTLSKSE-SECBINFHSA-N 1 0 243.307 -0.297 20 30 BBEDRO CNC(NC[C@H]1COC2(CCOCC2)O1)=[NH+]C ZINC000262228425 135286356 /nfs/dbraw/zinc/28/63/56/135286356.db2.gz WKAMAIOTTLSKSE-VIFPVBQESA-N 1 0 243.307 -0.297 20 30 BBEDRO CCc1nn(C)c(OC)c1CNC(N)=[NH2+] ZINC000262237573 536182834 /nfs/dbraw/zinc/18/28/34/536182834.db2.gz RDFLTVSRTKGCSD-UHFFFAOYSA-N 1 0 211.269 -0.236 20 30 BBEDRO CN(C)C(=O)CNC(=[NH2+])N1CCSCC1 ZINC000262237645 135286960 /nfs/dbraw/zinc/28/69/60/135286960.db2.gz HLSOYRHZUTYLIH-UHFFFAOYSA-N 1 0 230.337 -0.562 20 30 BBEDRO CN(C(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC000262241018 135287438 /nfs/dbraw/zinc/28/74/38/135287438.db2.gz NZNOJVXUBIDBRL-BDAKNGLRSA-N 1 0 240.307 -0.572 20 30 BBEDRO CN(C(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 ZINC000262241019 135287473 /nfs/dbraw/zinc/28/74/73/135287473.db2.gz NZNOJVXUBIDBRL-DTWKUNHWSA-N 1 0 240.307 -0.572 20 30 BBEDRO CN(C(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC000262241020 135287616 /nfs/dbraw/zinc/28/76/16/135287616.db2.gz NZNOJVXUBIDBRL-IUCAKERBSA-N 1 0 240.307 -0.572 20 30 BBEDRO CN(C(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1)C1CC1 ZINC000262241021 135287219 /nfs/dbraw/zinc/28/72/19/135287219.db2.gz NZNOJVXUBIDBRL-RKDXNWHRSA-N 1 0 240.307 -0.572 20 30 BBEDRO CCN(CC)C(=[NH2+])NCc1cnnn1C ZINC000262244774 535390159 /nfs/dbraw/zinc/39/01/59/535390159.db2.gz AZHXYQBXVFWJFW-UHFFFAOYSA-N 1 0 210.285 -0.028 20 30 BBEDRO [NH2+]=C(NCC(=O)NC1CC1)N1CCSCC1 ZINC000262245877 135117104 /nfs/dbraw/zinc/11/71/04/135117104.db2.gz IEAIRDUTPANHEG-UHFFFAOYSA-N 1 0 242.348 -0.372 20 30 BBEDRO [NH2+]=C(NC[C@H]1CCCO1)N1CCOCC1 ZINC000262247526 135287492 /nfs/dbraw/zinc/28/74/92/135287492.db2.gz IIYURRBPCDSCCK-SECBINFHSA-N 1 0 213.281 -0.188 20 30 BBEDRO [NH2+]=C(NC[C@@H]1CCCO1)N1CCOCC1 ZINC000262247529 135287425 /nfs/dbraw/zinc/28/74/25/135287425.db2.gz IIYURRBPCDSCCK-VIFPVBQESA-N 1 0 213.281 -0.188 20 30 BBEDRO CN(C)C(=[NH+]CC(=O)NC1CC1)N(C)C ZINC000262249445 135288303 /nfs/dbraw/zinc/28/83/03/135288303.db2.gz IMGLAUVIEMFRIK-UHFFFAOYSA-N 1 0 212.297 -0.256 20 30 BBEDRO CCS(=O)(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000262250466 135287973 /nfs/dbraw/zinc/28/79/73/135287973.db2.gz PKBIWJIMJZEOQR-UHFFFAOYSA-N 1 0 233.337 -0.170 20 30 BBEDRO CN(C(=[NH2+])NCC(=O)NC1CC1)C1CC1 ZINC000262252156 135287870 /nfs/dbraw/zinc/28/78/70/135287870.db2.gz PVFIPEWBVACEHP-UHFFFAOYSA-N 1 0 210.281 -0.326 20 30 BBEDRO [NH2+]=C(NCC(=O)NCC1CC1)N1CCOCC1 ZINC000262253031 135288260 /nfs/dbraw/zinc/28/82/60/135288260.db2.gz DDUBZQPRDOCPML-UHFFFAOYSA-N 1 0 240.307 -0.841 20 30 BBEDRO CC(=O)NCCNC(=[NH2+])N1CCSCC1 ZINC000262256035 534347084 /nfs/dbraw/zinc/34/70/84/534347084.db2.gz JARILNMVLINSRZ-UHFFFAOYSA-N 1 0 230.337 -0.514 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N(C)C1CC1 ZINC000262261402 534856013 /nfs/dbraw/zinc/85/60/13/534856013.db2.gz RCAWXMFHVXNECW-UHFFFAOYSA-N 1 0 210.281 -0.303 20 30 BBEDRO CC(=O)NCCNC(=[NH2+])NCC1CCC1 ZINC000262265576 534347817 /nfs/dbraw/zinc/34/78/17/534347817.db2.gz JWMAYIUVHOPHPA-UHFFFAOYSA-N 1 0 212.297 -0.173 20 30 BBEDRO CC(C)(C)NC(=[NH2+])NCCN1CCNC(=O)C1 ZINC000262267722 534662121 /nfs/dbraw/zinc/66/21/21/534662121.db2.gz UBYYNDPNJAGUAW-UHFFFAOYSA-N 1 0 241.339 -0.879 20 30 BBEDRO CN(C(=[NH2+])NCC(=O)N1CCOCC1)C1CC1 ZINC000262270475 135289153 /nfs/dbraw/zinc/28/91/53/135289153.db2.gz SWJHYGXWJIPGQB-UHFFFAOYSA-N 1 0 240.307 -0.746 20 30 BBEDRO CNC(NCC1(C(=O)OC)CCOCC1)=[NH+]C ZINC000262274723 135289258 /nfs/dbraw/zinc/28/92/58/135289258.db2.gz VJNFXBWLGKGLQB-UHFFFAOYSA-N 1 0 243.307 -0.249 20 30 BBEDRO CN(C)S(=O)(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000262287879 536070416 /nfs/dbraw/zinc/07/04/16/536070416.db2.gz KPNPVMDULRLQMY-UHFFFAOYSA-N 1 0 248.352 -0.713 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCc1cnnn1C ZINC000262289551 135117837 /nfs/dbraw/zinc/11/78/37/135117837.db2.gz GTPBJWRGHVGCFG-UHFFFAOYSA-N 1 0 208.269 -0.205 20 30 BBEDRO C#CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262289871 532988922 /nfs/dbraw/zinc/98/89/22/532988922.db2.gz MWASAIWAGBSANJ-UHFFFAOYSA-N 1 0 244.302 -0.454 20 30 BBEDRO [NH2+]=C(NCC(=O)NCC1CC1)NC1CC1 ZINC000262290310 135117934 /nfs/dbraw/zinc/11/79/34/135117934.db2.gz GXKJSIBKOSTBNG-UHFFFAOYSA-N 1 0 210.281 -0.421 20 30 BBEDRO C[NH+]=C(NCC(=O)N(C)C)NC1CCC1 ZINC000262296667 135291128 /nfs/dbraw/zinc/29/11/28/135291128.db2.gz MOHCIXWDPPPUPR-UHFFFAOYSA-N 1 0 212.297 -0.208 20 30 BBEDRO COCCNC(=[NH2+])NCC1(O)CCC1 ZINC000262298197 135291264 /nfs/dbraw/zinc/29/12/64/135291264.db2.gz JURWFGWKSUDRLK-UHFFFAOYSA-N 1 0 201.270 -0.548 20 30 BBEDRO CNC(=[NH2+])NC[C@H]1CCCCS1(=O)=O ZINC000262300913 135291363 /nfs/dbraw/zinc/29/13/63/135291363.db2.gz ZQYDNBACGVBQCE-SSDOTTSWSA-N 1 0 219.310 -0.512 20 30 BBEDRO CNC(=[NH2+])NC[C@@H]1CCCCS1(=O)=O ZINC000262300917 135291154 /nfs/dbraw/zinc/29/11/54/135291154.db2.gz ZQYDNBACGVBQCE-ZETCQYMHSA-N 1 0 219.310 -0.512 20 30 BBEDRO [NH2+]=C(NCC1=CCCOC1)N1CCOCC1 ZINC000262303390 135117844 /nfs/dbraw/zinc/11/78/44/135117844.db2.gz LNSLLBBBBBOIFG-UHFFFAOYSA-N 1 0 225.292 -0.020 20 30 BBEDRO CCCNC(=[NH2+])NCC1(S(C)(=O)=O)CC1 ZINC000262306634 135292348 /nfs/dbraw/zinc/29/23/48/135292348.db2.gz APIFNVZTVFOHHK-UHFFFAOYSA-N 1 0 233.337 -0.122 20 30 BBEDRO COCCNC(=[NH2+])NCC1=CCCOC1 ZINC000262311373 135118266 /nfs/dbraw/zinc/11/82/66/135118266.db2.gz OBUSIHIGNQQHCY-UHFFFAOYSA-N 1 0 213.281 -0.116 20 30 BBEDRO CC(C)NC(=[NH2+])NCC(=O)NCC1CC1 ZINC000262313560 135292567 /nfs/dbraw/zinc/29/25/67/135292567.db2.gz ONIDAOBBTHRHER-UHFFFAOYSA-N 1 0 212.297 -0.175 20 30 BBEDRO CN(C)C(=[NH+]CC(=O)NCC1CC1)N(C)C ZINC000262316196 135291994 /nfs/dbraw/zinc/29/19/94/135291994.db2.gz PKNSPCMKWQCQGV-UHFFFAOYSA-N 1 0 226.324 -0.008 20 30 BBEDRO C=CCNC(=[NH2+])NCc1ncnn1CC ZINC000262316683 135292949 /nfs/dbraw/zinc/29/29/49/135292949.db2.gz BNDRHHMBCFMXGU-UHFFFAOYSA-N 1 0 208.269 -0.112 20 30 BBEDRO Cn1nncc1CNC(=[NH2+])N1CCSCC1 ZINC000262317052 135293398 /nfs/dbraw/zinc/29/33/98/135293398.db2.gz PMICTWKRPHISJD-UHFFFAOYSA-N 1 0 240.336 -0.321 20 30 BBEDRO [NH2+]=C(NC[C@H]1CCCO1)NCC1(O)CCC1 ZINC000262318430 135293402 /nfs/dbraw/zinc/29/34/02/135293402.db2.gz QGIXKRUQFPZQSN-SECBINFHSA-N 1 0 227.308 -0.015 20 30 BBEDRO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(O)CCC1 ZINC000262319158 135293327 /nfs/dbraw/zinc/29/33/27/135293327.db2.gz QGIXKRUQFPZQSN-VIFPVBQESA-N 1 0 227.308 -0.015 20 30 BBEDRO Cn1nncc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262320673 135292749 /nfs/dbraw/zinc/29/27/49/135292749.db2.gz RAGIXHQYNVRYJD-SECBINFHSA-N 1 0 238.295 -0.602 20 30 BBEDRO Cn1nncc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262320674 135292962 /nfs/dbraw/zinc/29/29/62/135292962.db2.gz RAGIXHQYNVRYJD-VIFPVBQESA-N 1 0 238.295 -0.602 20 30 BBEDRO [NH2+]=C(NCCNC(=O)C1CC1)N1CCOCC1 ZINC000262324046 135293245 /nfs/dbraw/zinc/29/32/45/135293245.db2.gz QTMHZVDEJGNOIC-UHFFFAOYSA-N 1 0 240.307 -0.841 20 30 BBEDRO CN(C)C(=[NH+]Cc1cnnn1C)N(C)C ZINC000262325347 135117772 /nfs/dbraw/zinc/11/77/72/135117772.db2.gz TUFMQRNCTLEOEI-UHFFFAOYSA-N 1 0 210.285 -0.206 20 30 BBEDRO C[NH+]=C(NCC(=O)NCC1CC1)NC1CC1 ZINC000262329366 135118159 /nfs/dbraw/zinc/11/81/59/135118159.db2.gz UVSHDTDOMQXEMD-UHFFFAOYSA-N 1 0 224.308 -0.160 20 30 BBEDRO C=CCN(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000262336385 135293860 /nfs/dbraw/zinc/29/38/60/135293860.db2.gz HJAYFCVHCBRPCM-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CCN(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000262336388 135293984 /nfs/dbraw/zinc/29/39/84/135293984.db2.gz HJAYFCVHCBRPCM-SNVBAGLBSA-N 1 0 239.319 -0.111 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCc1cncn1C ZINC000262339621 536521019 /nfs/dbraw/zinc/52/10/19/536521019.db2.gz CGJBDFZUQRPWNL-MRVPVSSYSA-N 1 0 225.296 -0.141 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCc1cncn1C ZINC000262339626 135294075 /nfs/dbraw/zinc/29/40/75/135294075.db2.gz CGJBDFZUQRPWNL-QMMMGPOBSA-N 1 0 225.296 -0.141 20 30 BBEDRO C=CCNC(=[NH2+])NCC1(S(C)(=O)=O)CC1 ZINC000262341506 534844499 /nfs/dbraw/zinc/84/44/99/534844499.db2.gz GZWILVAKZAMNBN-UHFFFAOYSA-N 1 0 231.321 -0.346 20 30 BBEDRO CNC(NCc1nnnn1CC1CC1)=[NH+]C ZINC000262346227 135294410 /nfs/dbraw/zinc/29/44/10/135294410.db2.gz DJMGPSHDNDLMNP-UHFFFAOYSA-N 1 0 223.284 -0.622 20 30 BBEDRO C#CCNC(NC[C@@]1(O)CCSC1)=[NH+]C ZINC000262352146 533141248 /nfs/dbraw/zinc/14/12/48/533141248.db2.gz FIXBZFICIURBTC-JTQLQIEISA-N 1 0 227.333 -0.347 20 30 BBEDRO C#CCNC(NC[C@]1(O)CCSC1)=[NH+]C ZINC000262352150 533141453 /nfs/dbraw/zinc/14/14/53/533141453.db2.gz FIXBZFICIURBTC-SNVBAGLBSA-N 1 0 227.333 -0.347 20 30 BBEDRO C[NH+]=C(NCc1nnnn1CC1CC1)NC1CC1 ZINC000262354668 536304477 /nfs/dbraw/zinc/30/44/77/536304477.db2.gz FROHLRUPBRLZQQ-UHFFFAOYSA-N 1 0 249.322 -0.090 20 30 BBEDRO C[NH+]=C(NCCS(=O)(=O)N(C)C)NC1CC1 ZINC000262354705 536304573 /nfs/dbraw/zinc/30/45/73/536304573.db2.gz HAZVDPYKWNPAML-UHFFFAOYSA-N 1 0 248.352 -0.795 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000262356247 135117824 /nfs/dbraw/zinc/11/78/24/135117824.db2.gz FYWLVOLGXWXRBZ-HTQZYQBOSA-N 1 0 226.280 -0.890 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000262356249 135118222 /nfs/dbraw/zinc/11/82/22/135118222.db2.gz FYWLVOLGXWXRBZ-JGVFFNPUSA-N 1 0 226.280 -0.890 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000262356251 135118121 /nfs/dbraw/zinc/11/81/21/135118121.db2.gz FYWLVOLGXWXRBZ-SFYZADRCSA-N 1 0 226.280 -0.890 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000262356253 135117864 /nfs/dbraw/zinc/11/78/64/135117864.db2.gz FYWLVOLGXWXRBZ-YUMQZZPRSA-N 1 0 226.280 -0.890 20 30 BBEDRO [NH2+]=C(NC[C@H]1CCCO1)NCC(F)(F)CO ZINC000262358841 135295647 /nfs/dbraw/zinc/29/56/47/135295647.db2.gz GKXNGRWPLQHQRQ-SSDOTTSWSA-N 1 0 237.250 -0.303 20 30 BBEDRO [NH2+]=C(NC[C@@H]1CCCO1)NCC(F)(F)CO ZINC000262358842 135295485 /nfs/dbraw/zinc/29/54/85/135295485.db2.gz GKXNGRWPLQHQRQ-ZETCQYMHSA-N 1 0 237.250 -0.303 20 30 BBEDRO C#CCNC(NC[C@@H](O)c1cnn(C)c1)=[NH+]CC ZINC000262366032 533143031 /nfs/dbraw/zinc/14/30/31/533143031.db2.gz JHZAVEQKCQVWBK-LLVKDONJSA-N 1 0 249.318 -0.358 20 30 BBEDRO C#CCNC(NC[C@H](O)c1cnn(C)c1)=[NH+]CC ZINC000262366034 533142703 /nfs/dbraw/zinc/14/27/03/533142703.db2.gz JHZAVEQKCQVWBK-NSHDSACASA-N 1 0 249.318 -0.358 20 30 BBEDRO CS(=O)(=O)C1(CNC(=[NH2+])NC2CC2)CC1 ZINC000262366190 135297023 /nfs/dbraw/zinc/29/70/23/135297023.db2.gz LDSYNQADDIDSDF-UHFFFAOYSA-N 1 0 231.321 -0.370 20 30 BBEDRO C=CCN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000262369099 135298009 /nfs/dbraw/zinc/29/80/09/135298009.db2.gz LJHSAASLWARMPQ-SECBINFHSA-N 1 0 225.292 -0.501 20 30 BBEDRO C=CCN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000262369101 135291639 /nfs/dbraw/zinc/29/16/39/135291639.db2.gz LJHSAASLWARMPQ-VIFPVBQESA-N 1 0 225.292 -0.501 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000262369356 135297848 /nfs/dbraw/zinc/29/78/48/135297848.db2.gz IHFWYUWOOKQOQD-CIUDSAMLSA-N 1 0 242.323 -0.278 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000262369358 135297692 /nfs/dbraw/zinc/29/76/92/135297692.db2.gz IHFWYUWOOKQOQD-DJLDLDEBSA-N 1 0 242.323 -0.278 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000262369360 135297617 /nfs/dbraw/zinc/29/76/17/135297617.db2.gz IHFWYUWOOKQOQD-XHNCKOQMSA-N 1 0 242.323 -0.278 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000262369361 135297905 /nfs/dbraw/zinc/29/79/05/135297905.db2.gz IHFWYUWOOKQOQD-YIZRAAEISA-N 1 0 242.323 -0.278 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCc1noc(C)n1 ZINC000262370423 135298050 /nfs/dbraw/zinc/29/80/50/135298050.db2.gz ILOGETGKAWWICP-LURJTMIESA-N 1 0 227.268 -0.183 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCc1noc(C)n1 ZINC000262370424 536520960 /nfs/dbraw/zinc/52/09/60/536520960.db2.gz ILOGETGKAWWICP-ZCFIWIBFSA-N 1 0 227.268 -0.183 20 30 BBEDRO CN(C)C(=[NH2+])NCc1nnnn1CC1CC1 ZINC000262371993 135297645 /nfs/dbraw/zinc/29/76/45/135297645.db2.gz ITYVCHKZNYBDCR-UHFFFAOYSA-N 1 0 223.284 -0.541 20 30 BBEDRO CCn1ncnc1CNC(=[NH2+])NC1CC1 ZINC000262376263 135298111 /nfs/dbraw/zinc/29/81/11/135298111.db2.gz MZGHQIRVDLULIM-UHFFFAOYSA-N 1 0 208.269 -0.135 20 30 BBEDRO Cn1cncc1CNC(=[NH2+])N1CCOCC1 ZINC000262384921 135117555 /nfs/dbraw/zinc/11/75/55/135117555.db2.gz PPJOVCLYCZAQTN-UHFFFAOYSA-N 1 0 223.280 -0.433 20 30 BBEDRO CNC(NCC1(S(C)(=O)=O)CC1)=[NH+]C ZINC000262390549 135298440 /nfs/dbraw/zinc/29/84/40/135298440.db2.gz PLXMXUHPVXNFBG-UHFFFAOYSA-N 1 0 219.310 -0.642 20 30 BBEDRO CN(C)C(=[NH+]C[C@H]1CC[C@@H](C(N)=O)O1)N(C)C ZINC000262391469 135298720 /nfs/dbraw/zinc/29/87/20/135298720.db2.gz MESAHFIHRATNLE-BDAKNGLRSA-N 1 0 242.323 -0.502 20 30 BBEDRO CN(C)C(=[NH+]C[C@@H]1CC[C@H](C(N)=O)O1)N(C)C ZINC000262391471 135298340 /nfs/dbraw/zinc/29/83/40/135298340.db2.gz MESAHFIHRATNLE-DTWKUNHWSA-N 1 0 242.323 -0.502 20 30 BBEDRO CN(C)C(=[NH+]C[C@@H]1CC[C@@H](C(N)=O)O1)N(C)C ZINC000262391473 135298851 /nfs/dbraw/zinc/29/88/51/135298851.db2.gz MESAHFIHRATNLE-IUCAKERBSA-N 1 0 242.323 -0.502 20 30 BBEDRO CN(C)C(=[NH+]C[C@H]1CC[C@H](C(N)=O)O1)N(C)C ZINC000262391475 135298659 /nfs/dbraw/zinc/29/86/59/135298659.db2.gz MESAHFIHRATNLE-RKDXNWHRSA-N 1 0 242.323 -0.502 20 30 BBEDRO C[NH+]=C(NCC1(S(C)(=O)=O)CC1)NC1CC1 ZINC000262391652 135298785 /nfs/dbraw/zinc/29/87/85/135298785.db2.gz PNYPLLNRFKVFEC-UHFFFAOYSA-N 1 0 245.348 -0.109 20 30 BBEDRO CCCNC(=[NH2+])NCC1CN(S(C)(=O)=O)C1 ZINC000262404693 135295163 /nfs/dbraw/zinc/29/51/63/135295163.db2.gz AWETUKISMMNJJR-UHFFFAOYSA-N 1 0 248.352 -0.808 20 30 BBEDRO NC(=O)c1coc(CNC(=[NH2+])NC2CC2)c1 ZINC000262406038 135295460 /nfs/dbraw/zinc/29/54/60/135295460.db2.gz BDEJOSVHUVHKTH-UHFFFAOYSA-N 1 0 222.248 -0.055 20 30 BBEDRO CNC(N[C@@H]1CCn2ccnc2C1)=[NH+]C ZINC000262409967 135295231 /nfs/dbraw/zinc/29/52/31/135295231.db2.gz DFQGWCJAIQZEIT-MRVPVSSYSA-N 1 0 207.281 -0.007 20 30 BBEDRO CNC(N[C@H]1CCn2ccnc2C1)=[NH+]C ZINC000262409969 135295623 /nfs/dbraw/zinc/29/56/23/135295623.db2.gz DFQGWCJAIQZEIT-QMMMGPOBSA-N 1 0 207.281 -0.007 20 30 BBEDRO CC(C)(C)NC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000262417839 534662607 /nfs/dbraw/zinc/66/26/07/534662607.db2.gz QJYZWSKNJOAWQI-HTQZYQBOSA-N 1 0 242.323 -0.278 20 30 BBEDRO CC(C)(C)NC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000262417840 534662283 /nfs/dbraw/zinc/66/22/83/534662283.db2.gz QJYZWSKNJOAWQI-JGVFFNPUSA-N 1 0 242.323 -0.278 20 30 BBEDRO CC(C)(C)NC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000262417841 534661829 /nfs/dbraw/zinc/66/18/29/534661829.db2.gz QJYZWSKNJOAWQI-SFYZADRCSA-N 1 0 242.323 -0.278 20 30 BBEDRO CC(C)(C)NC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000262417842 534662209 /nfs/dbraw/zinc/66/22/09/534662209.db2.gz QJYZWSKNJOAWQI-YUMQZZPRSA-N 1 0 242.323 -0.278 20 30 BBEDRO CNC(=[NH2+])NCc1nnnn1CC1CC1 ZINC000262420303 536305085 /nfs/dbraw/zinc/30/50/85/536305085.db2.gz QVXWUMQSFPBWSX-UHFFFAOYSA-N 1 0 209.257 -0.883 20 30 BBEDRO CN(C(=[NH2+])NCC1(S(C)(=O)=O)CC1)C1CC1 ZINC000262422227 135295878 /nfs/dbraw/zinc/29/58/78/135295878.db2.gz BLOJEBRNTLKFTE-UHFFFAOYSA-N 1 0 245.348 -0.028 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000262422950 135296220 /nfs/dbraw/zinc/29/62/20/135296220.db2.gz RFIVYUYRFBCSRF-BDAKNGLRSA-N 1 0 240.307 -0.500 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000262422952 533511211 /nfs/dbraw/zinc/51/12/11/533511211.db2.gz RFIVYUYRFBCSRF-DTWKUNHWSA-N 1 0 240.307 -0.500 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000262422953 533510995 /nfs/dbraw/zinc/51/09/95/533510995.db2.gz RFIVYUYRFBCSRF-IUCAKERBSA-N 1 0 240.307 -0.500 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000262422955 135296421 /nfs/dbraw/zinc/29/64/21/135296421.db2.gz RFIVYUYRFBCSRF-RKDXNWHRSA-N 1 0 240.307 -0.500 20 30 BBEDRO C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)N(C)C ZINC000262423532 135296362 /nfs/dbraw/zinc/29/63/62/135296362.db2.gz QWKSEUSLGMIDPH-SECBINFHSA-N 1 0 225.296 -0.410 20 30 BBEDRO C[NH+]=C(NC[C@H](O)c1cnn(C)c1)N(C)C ZINC000262423534 135296147 /nfs/dbraw/zinc/29/61/47/135296147.db2.gz QWKSEUSLGMIDPH-VIFPVBQESA-N 1 0 225.296 -0.410 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCC(=O)NC2CC2)CCO1 ZINC000262424655 135296356 /nfs/dbraw/zinc/29/63/56/135296356.db2.gz CEBNKRDGOIKJFH-MRVPVSSYSA-N 1 0 240.307 -0.700 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCC(=O)NC2CC2)CCO1 ZINC000262424656 135296390 /nfs/dbraw/zinc/29/63/90/135296390.db2.gz CEBNKRDGOIKJFH-QMMMGPOBSA-N 1 0 240.307 -0.700 20 30 BBEDRO CNC(NCC1(S(C)(=O)=O)CCC1)=[NH+]C ZINC000262425121 135296414 /nfs/dbraw/zinc/29/64/14/135296414.db2.gz VQAFBDPQGHARFK-UHFFFAOYSA-N 1 0 233.337 -0.252 20 30 BBEDRO CNC(NCc1cc(C(N)=O)co1)=[NH+]C ZINC000262425447 135296320 /nfs/dbraw/zinc/29/63/20/135296320.db2.gz HHGAFNLFSXXIDA-UHFFFAOYSA-N 1 0 210.237 -0.327 20 30 BBEDRO CNC(NC[C@]1(O)CCSC1)=[NH+]C ZINC000262427061 135295918 /nfs/dbraw/zinc/29/59/18/135295918.db2.gz RTENYYVDPBBQHU-MRVPVSSYSA-N 1 0 203.311 -0.351 20 30 BBEDRO CNC(NC[C@@]1(O)CCSC1)=[NH+]C ZINC000262427063 135296328 /nfs/dbraw/zinc/29/63/28/135296328.db2.gz RTENYYVDPBBQHU-QMMMGPOBSA-N 1 0 203.311 -0.351 20 30 BBEDRO C#CCNC(NCc1noc(C)n1)=[NH+]C ZINC000262429877 533141229 /nfs/dbraw/zinc/14/12/29/533141229.db2.gz BNZAMNOMGXXBJO-UHFFFAOYSA-N 1 0 207.237 -0.324 20 30 BBEDRO CNC(=[NH2+])NCCS(=O)(=O)CC1CC1 ZINC000262429925 135296997 /nfs/dbraw/zinc/29/69/97/135296997.db2.gz DRQVBQQBNJKGCZ-UHFFFAOYSA-N 1 0 219.310 -0.655 20 30 BBEDRO CN(C(=[NH2+])NCC(=O)NCC(F)F)C1CC1 ZINC000262431010 135296769 /nfs/dbraw/zinc/29/67/69/135296769.db2.gz DZMABZBAQILQFQ-UHFFFAOYSA-N 1 0 234.250 -0.223 20 30 BBEDRO CN(C)C(=[NH2+])NCCS(=O)(=O)CC1CC1 ZINC000262431076 135296605 /nfs/dbraw/zinc/29/66/05/135296605.db2.gz FBHFJWRKYXFWMU-UHFFFAOYSA-N 1 0 233.337 -0.313 20 30 BBEDRO CC(C)NC(=[NH2+])NCC1(S(C)(=O)=O)CC1 ZINC000262432500 135296955 /nfs/dbraw/zinc/29/69/55/135296955.db2.gz FMLXUBQMCXKNFZ-UHFFFAOYSA-N 1 0 233.337 -0.124 20 30 BBEDRO CN(C(=[NH2+])NCc1nnnn1CC1CC1)C1CC1 ZINC000262432774 135296690 /nfs/dbraw/zinc/29/66/90/135296690.db2.gz SSKFITFCYRDESI-UHFFFAOYSA-N 1 0 249.322 -0.008 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCC(F)(F)CO)CCO1 ZINC000262432928 135296772 /nfs/dbraw/zinc/29/67/72/135296772.db2.gz FRWKOSUXBOIWFZ-SSDOTTSWSA-N 1 0 237.250 -0.351 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCC(F)(F)CO)CCO1 ZINC000262432930 135297220 /nfs/dbraw/zinc/29/72/20/135297220.db2.gz FRWKOSUXBOIWFZ-ZETCQYMHSA-N 1 0 237.250 -0.351 20 30 BBEDRO [NH2+]=C(NCc1ncccc1O)N1CCOCC1 ZINC000262434076 135296774 /nfs/dbraw/zinc/29/67/74/135296774.db2.gz FVTRNMLSFDASTM-UHFFFAOYSA-N 1 0 236.275 -0.066 20 30 BBEDRO CC(C)CNC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000262434465 135297165 /nfs/dbraw/zinc/29/71/65/135297165.db2.gz SWRWGQRJRXSXDD-BDAKNGLRSA-N 1 0 242.323 -0.420 20 30 BBEDRO CC(C)CNC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000262434470 135296953 /nfs/dbraw/zinc/29/69/53/135296953.db2.gz SWRWGQRJRXSXDD-DTWKUNHWSA-N 1 0 242.323 -0.420 20 30 BBEDRO CC(C)CNC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000262434472 135297219 /nfs/dbraw/zinc/29/72/19/135297219.db2.gz SWRWGQRJRXSXDD-IUCAKERBSA-N 1 0 242.323 -0.420 20 30 BBEDRO CC(C)CNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000262434477 135297201 /nfs/dbraw/zinc/29/72/01/135297201.db2.gz SWRWGQRJRXSXDD-RKDXNWHRSA-N 1 0 242.323 -0.420 20 30 BBEDRO CC(C)NC(=[NH2+])NCc1nnnn1CC1CC1 ZINC000262434778 535123741 /nfs/dbraw/zinc/12/37/41/535123741.db2.gz SYZGQTCPUZXYFF-UHFFFAOYSA-N 1 0 237.311 -0.104 20 30 BBEDRO [NH2+]=C(NCC(=O)NCC(F)F)NC1CC1 ZINC000262438533 135299558 /nfs/dbraw/zinc/29/95/58/135299558.db2.gz GXLBAVVKQYZXAX-UHFFFAOYSA-N 1 0 220.223 -0.566 20 30 BBEDRO CCn1ncnc1CNC(=[NH2+])N1CCOCC1 ZINC000262438850 135299901 /nfs/dbraw/zinc/29/99/01/135299901.db2.gz HBLNCUYAQNYZTC-UHFFFAOYSA-N 1 0 238.295 -0.555 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCC(C)(C)C(N)=O)CCO1 ZINC000262440427 135299518 /nfs/dbraw/zinc/29/95/18/135299518.db2.gz HMCJPYFQKWCMPI-MRVPVSSYSA-N 1 0 242.323 -0.467 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCC(C)(C)C(N)=O)CCO1 ZINC000262440429 135299850 /nfs/dbraw/zinc/29/98/50/135299850.db2.gz HMCJPYFQKWCMPI-QMMMGPOBSA-N 1 0 242.323 -0.467 20 30 BBEDRO CN(C)[C@@]1(CNC(N)=[NH2+])CCSC1 ZINC000262443649 135299597 /nfs/dbraw/zinc/29/95/97/135299597.db2.gz IECBXSDQNDNPRS-MRVPVSSYSA-N 1 0 202.327 -0.303 20 30 BBEDRO CN(C)[C@]1(CNC(N)=[NH2+])CCSC1 ZINC000262443650 135299879 /nfs/dbraw/zinc/29/98/79/135299879.db2.gz IECBXSDQNDNPRS-QMMMGPOBSA-N 1 0 202.327 -0.303 20 30 BBEDRO C#CCNC(NC[C@H](O)c1cnn(C)c1)=[NH+]C ZINC000262447448 533140707 /nfs/dbraw/zinc/14/07/07/533140707.db2.gz UHIFDNLXKZCKRF-JTQLQIEISA-N 1 0 235.291 -0.748 20 30 BBEDRO C#CCNC(NC[C@@H](O)c1cnn(C)c1)=[NH+]C ZINC000262447449 533141685 /nfs/dbraw/zinc/14/16/85/533141685.db2.gz UHIFDNLXKZCKRF-SNVBAGLBSA-N 1 0 235.291 -0.748 20 30 BBEDRO C=CCNC(NC[C@H](O)c1cnn(C)c1)=[NH+]C ZINC000262449048 135119135 /nfs/dbraw/zinc/11/91/35/135119135.db2.gz UNRUHDVLDVLCSR-JTQLQIEISA-N 1 0 237.307 -0.196 20 30 BBEDRO C=CCNC(NC[C@@H](O)c1cnn(C)c1)=[NH+]C ZINC000262450394 135119116 /nfs/dbraw/zinc/11/91/16/135119116.db2.gz UNRUHDVLDVLCSR-SNVBAGLBSA-N 1 0 237.307 -0.196 20 30 BBEDRO CNC(NCCS(=O)(=O)CC1CC1)=[NH+]C ZINC000262451109 135300428 /nfs/dbraw/zinc/30/04/28/135300428.db2.gz JXLVMRNGGRCWGL-UHFFFAOYSA-N 1 0 233.337 -0.394 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCc2ncn(C)n2)CCO1 ZINC000262452675 135300174 /nfs/dbraw/zinc/30/01/74/135300174.db2.gz KEHYCJWHPONBOS-MRVPVSSYSA-N 1 0 238.295 -0.650 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCc2ncn(C)n2)CCO1 ZINC000262452676 135300536 /nfs/dbraw/zinc/30/05/36/135300536.db2.gz KEHYCJWHPONBOS-QMMMGPOBSA-N 1 0 238.295 -0.650 20 30 BBEDRO CC(C)NC(=O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262453479 135300069 /nfs/dbraw/zinc/30/00/69/135300069.db2.gz KKLYISBBVGPSNP-SECBINFHSA-N 1 0 242.323 -0.454 20 30 BBEDRO CC(C)NC(=O)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262453482 135300258 /nfs/dbraw/zinc/30/02/58/135300258.db2.gz KKLYISBBVGPSNP-VIFPVBQESA-N 1 0 242.323 -0.454 20 30 BBEDRO [NH2+]=C(NCCn1cc([N+](=O)[O-])cn1)NC1CC1 ZINC000262454302 135119000 /nfs/dbraw/zinc/11/90/00/135119000.db2.gz STKGPVXGQGEFDI-UHFFFAOYSA-N 1 0 238.251 -0.142 20 30 BBEDRO CS(=O)(=O)CC1(CNC(=[NH2+])NC2CC2)CC1 ZINC000262454710 135300634 /nfs/dbraw/zinc/30/06/34/135300634.db2.gz KTVNVVWRUDKFCX-UHFFFAOYSA-N 1 0 245.348 -0.122 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCCN2CCC2)CCO1 ZINC000262454736 135300002 /nfs/dbraw/zinc/30/00/02/135300002.db2.gz KULYNTZDRYSTOV-JTQLQIEISA-N 1 0 226.324 -0.273 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCCN2CCC2)CCO1 ZINC000262454739 135300473 /nfs/dbraw/zinc/30/04/73/135300473.db2.gz KULYNTZDRYSTOV-SNVBAGLBSA-N 1 0 226.324 -0.273 20 30 BBEDRO COCCNC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262456750 536852950 /nfs/dbraw/zinc/85/29/50/536852950.db2.gz UDBHHEITSDHLOS-SECBINFHSA-N 1 0 237.307 -0.251 20 30 BBEDRO COCCNC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262456751 536853605 /nfs/dbraw/zinc/85/36/05/536853605.db2.gz UDBHHEITSDHLOS-VIFPVBQESA-N 1 0 237.307 -0.251 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCCn2cccn2)CCO1 ZINC000262457750 632589570 /nfs/dbraw/zinc/58/95/70/632589570.db2.gz LOBXHGADKBEOQS-JTQLQIEISA-N 1 0 237.307 -0.082 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCCn2cccn2)CCO1 ZINC000262457751 711869352 /nfs/dbraw/zinc/86/93/52/711869352.db2.gz LOBXHGADKBEOQS-SNVBAGLBSA-N 1 0 237.307 -0.082 20 30 BBEDRO COCCNC(=[NH2+])N[C@@H]1C[C@@H](O)C1(C)C ZINC000262459742 536853051 /nfs/dbraw/zinc/85/30/51/536853051.db2.gz VNOOMPGJRVOMCV-HTQZYQBOSA-N 1 0 215.297 -0.304 20 30 BBEDRO COCCNC(=[NH2+])N[C@H]1C[C@@H](O)C1(C)C ZINC000262459745 536852834 /nfs/dbraw/zinc/85/28/34/536852834.db2.gz VNOOMPGJRVOMCV-JGVFFNPUSA-N 1 0 215.297 -0.304 20 30 BBEDRO COCCNC(=[NH2+])N[C@@H]1C[C@H](O)C1(C)C ZINC000262459749 536853087 /nfs/dbraw/zinc/85/30/87/536853087.db2.gz VNOOMPGJRVOMCV-SFYZADRCSA-N 1 0 215.297 -0.304 20 30 BBEDRO COCCNC(=[NH2+])N[C@H]1C[C@H](O)C1(C)C ZINC000262459753 536853096 /nfs/dbraw/zinc/85/30/96/536853096.db2.gz VNOOMPGJRVOMCV-YUMQZZPRSA-N 1 0 215.297 -0.304 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCC(=O)N(C)C)CCO1 ZINC000262459827 135300074 /nfs/dbraw/zinc/30/00/74/135300074.db2.gz MCMSETYRDGATTR-MRVPVSSYSA-N 1 0 228.296 -0.890 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCC(=O)N(C)C)CCO1 ZINC000262459829 135300549 /nfs/dbraw/zinc/30/05/49/135300549.db2.gz MCMSETYRDGATTR-QMMMGPOBSA-N 1 0 228.296 -0.890 20 30 BBEDRO C#CCNC(NCc1cnn(C)c1)=[NH+]C ZINC000262461990 533141601 /nfs/dbraw/zinc/14/16/01/533141601.db2.gz XRNCAKMKKCFJCE-UHFFFAOYSA-N 1 0 205.265 -0.282 20 30 BBEDRO CNC(=O)CNC(=[NH+]C)N1CC[C@@H](COC)C1 ZINC000262462486 636270169 /nfs/dbraw/zinc/27/01/69/636270169.db2.gz MTOTYBZNJGMNQM-SECBINFHSA-N 1 0 242.323 -0.724 20 30 BBEDRO CNC(=O)CNC(=[NH+]C)N1CC[C@H](COC)C1 ZINC000262462489 636270794 /nfs/dbraw/zinc/27/07/94/636270794.db2.gz MTOTYBZNJGMNQM-VIFPVBQESA-N 1 0 242.323 -0.724 20 30 BBEDRO CCCNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000262463728 135300855 /nfs/dbraw/zinc/30/08/55/135300855.db2.gz XXFITJWDLNNZAD-HTQZYQBOSA-N 1 0 228.296 -0.666 20 30 BBEDRO CCCNC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000262463730 135300920 /nfs/dbraw/zinc/30/09/20/135300920.db2.gz XXFITJWDLNNZAD-JGVFFNPUSA-N 1 0 228.296 -0.666 20 30 BBEDRO CCCNC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000262463734 135300897 /nfs/dbraw/zinc/30/08/97/135300897.db2.gz XXFITJWDLNNZAD-SFYZADRCSA-N 1 0 228.296 -0.666 20 30 BBEDRO CCCNC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000262463736 135301023 /nfs/dbraw/zinc/30/10/23/135301023.db2.gz XXFITJWDLNNZAD-YUMQZZPRSA-N 1 0 228.296 -0.666 20 30 BBEDRO CC(C)NC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000262464527 535123694 /nfs/dbraw/zinc/12/36/94/535123694.db2.gz YAOYMUCRBKKRCD-HTQZYQBOSA-N 1 0 228.296 -0.668 20 30 BBEDRO CC(C)NC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000262464528 135300911 /nfs/dbraw/zinc/30/09/11/135300911.db2.gz YAOYMUCRBKKRCD-JGVFFNPUSA-N 1 0 228.296 -0.668 20 30 BBEDRO CC(C)NC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000262464529 535124278 /nfs/dbraw/zinc/12/42/78/535124278.db2.gz YAOYMUCRBKKRCD-SFYZADRCSA-N 1 0 228.296 -0.668 20 30 BBEDRO CC(C)NC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000262464530 135301040 /nfs/dbraw/zinc/30/10/40/135301040.db2.gz YAOYMUCRBKKRCD-YUMQZZPRSA-N 1 0 228.296 -0.668 20 30 BBEDRO NC(=O)[C@H]1CC[C@H](CNC(=[NH2+])NC2CC2)O1 ZINC000262464533 135300964 /nfs/dbraw/zinc/30/09/64/135300964.db2.gz YAPCQZFJWGEMEB-HTQZYQBOSA-N 1 0 226.280 -0.914 20 30 BBEDRO NC(=O)[C@H]1CC[C@@H](CNC(=[NH2+])NC2CC2)O1 ZINC000262464534 135301351 /nfs/dbraw/zinc/30/13/51/135301351.db2.gz YAPCQZFJWGEMEB-JGVFFNPUSA-N 1 0 226.280 -0.914 20 30 BBEDRO NC(=O)[C@@H]1CC[C@H](CNC(=[NH2+])NC2CC2)O1 ZINC000262464535 135300722 /nfs/dbraw/zinc/30/07/22/135300722.db2.gz YAPCQZFJWGEMEB-SFYZADRCSA-N 1 0 226.280 -0.914 20 30 BBEDRO NC(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])NC2CC2)O1 ZINC000262464536 135301327 /nfs/dbraw/zinc/30/13/27/135301327.db2.gz YAPCQZFJWGEMEB-YUMQZZPRSA-N 1 0 226.280 -0.914 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262465887 534856046 /nfs/dbraw/zinc/85/60/46/534856046.db2.gz NPDZIVJVCITVDE-SECBINFHSA-N 1 0 240.307 -0.676 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262465888 534856215 /nfs/dbraw/zinc/85/62/15/534856215.db2.gz NPDZIVJVCITVDE-VIFPVBQESA-N 1 0 240.307 -0.676 20 30 BBEDRO [NH2+]=C(NCc1nnnn1CC1CC1)NC1CC1 ZINC000262467207 135301118 /nfs/dbraw/zinc/30/11/18/135301118.db2.gz YJFPACZLHQKUTJ-UHFFFAOYSA-N 1 0 235.295 -0.350 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000262472878 135118950 /nfs/dbraw/zinc/11/89/50/135118950.db2.gz BMWZQPRNAZUITG-UHFFFAOYSA-N 1 0 233.279 -0.370 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCC2(O)CCC2)CCO1 ZINC000262472969 135301306 /nfs/dbraw/zinc/30/13/06/135301306.db2.gz PJDZTICKXZBXDE-SECBINFHSA-N 1 0 227.308 -0.063 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCC2(O)CCC2)CCO1 ZINC000262472972 135301299 /nfs/dbraw/zinc/30/12/99/135301299.db2.gz PJDZTICKXZBXDE-VIFPVBQESA-N 1 0 227.308 -0.063 20 30 BBEDRO C[NH+]=C(NCCOC)NC[C@@]1(O)CCSC1 ZINC000262474438 135300981 /nfs/dbraw/zinc/30/09/81/135300981.db2.gz ZOMDQLAGQXEWOW-JTQLQIEISA-N 1 0 247.364 -0.334 20 30 BBEDRO C[NH+]=C(NCCOC)NC[C@]1(O)CCSC1 ZINC000262474439 135300823 /nfs/dbraw/zinc/30/08/23/135300823.db2.gz ZOMDQLAGQXEWOW-SNVBAGLBSA-N 1 0 247.364 -0.334 20 30 BBEDRO CN1CC[NH+]=C1NCC(=O)NCc1ccco1 ZINC000262474572 135301384 /nfs/dbraw/zinc/30/13/84/135301384.db2.gz BVZJIMPHHPGLBI-UHFFFAOYSA-N 1 0 236.275 -0.213 20 30 BBEDRO [NH2+]=C(N[C@H]1CCn2ccnc2C1)N1CCOCC1 ZINC000262475786 135301786 /nfs/dbraw/zinc/30/17/86/135301786.db2.gz PQQJAAHSDCTUHQ-JTQLQIEISA-N 1 0 249.318 -0.155 20 30 BBEDRO [NH2+]=C(N[C@@H]1CCn2ccnc2C1)N1CCOCC1 ZINC000262475787 135301807 /nfs/dbraw/zinc/30/18/07/135301807.db2.gz PQQJAAHSDCTUHQ-SNVBAGLBSA-N 1 0 249.318 -0.155 20 30 BBEDRO CN(C)C(=[NH+]Cc1ncn(C)n1)N(C)C ZINC000262475895 135301508 /nfs/dbraw/zinc/30/15/08/135301508.db2.gz BZVOQCNKAWDDSM-UHFFFAOYSA-N 1 0 210.285 -0.206 20 30 BBEDRO CNC(=[NH2+])N1CC[C@@H](COCCOC)C1 ZINC000262477229 135301832 /nfs/dbraw/zinc/30/18/32/135301832.db2.gz QMWAOXASGHNPCT-SECBINFHSA-N 1 0 215.297 -0.084 20 30 BBEDRO CNC(=[NH2+])N1CC[C@H](COCCOC)C1 ZINC000262477232 135302050 /nfs/dbraw/zinc/30/20/50/135302050.db2.gz QMWAOXASGHNPCT-VIFPVBQESA-N 1 0 215.297 -0.084 20 30 BBEDRO Cc1nc(CNC(=[NH2+])N2CCO[C@H](C)C2)no1 ZINC000262478130 135301842 /nfs/dbraw/zinc/30/18/42/135301842.db2.gz QRSQZUSVNOFLLA-SSDOTTSWSA-N 1 0 239.279 -0.087 20 30 BBEDRO Cc1nc(CNC(=[NH2+])N2CCO[C@@H](C)C2)no1 ZINC000262478133 135301913 /nfs/dbraw/zinc/30/19/13/135301913.db2.gz QRSQZUSVNOFLLA-ZETCQYMHSA-N 1 0 239.279 -0.087 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC(=O)Nc2cccnc2)N1 ZINC000262478470 135302132 /nfs/dbraw/zinc/30/21/32/135302132.db2.gz COJJPVBUMBIXGO-MRVPVSSYSA-N 1 0 233.275 -0.043 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC(=O)Nc2cccnc2)N1 ZINC000262478472 135301578 /nfs/dbraw/zinc/30/15/78/135301578.db2.gz COJJPVBUMBIXGO-QMMMGPOBSA-N 1 0 233.275 -0.043 20 30 BBEDRO CN1CC[NH+]=C1NCC1([S@](C)=O)CC1 ZINC000262479648 135301487 /nfs/dbraw/zinc/30/14/87/135301487.db2.gz CTRQMFRZIGTAQE-AWEZNQCLSA-N 1 0 215.322 -0.212 20 30 BBEDRO CN1CC[NH+]=C1NCC1([S@@](C)=O)CC1 ZINC000262479654 135301802 /nfs/dbraw/zinc/30/18/02/135301802.db2.gz CTRQMFRZIGTAQE-CQSZACIVSA-N 1 0 215.322 -0.212 20 30 BBEDRO CN1CC[NH+]=C1NCCN1CCOC(C)(C)C1 ZINC000262479725 135301869 /nfs/dbraw/zinc/30/18/69/135301869.db2.gz CTWPXYSRRDVMNG-UHFFFAOYSA-N 1 0 240.351 -0.012 20 30 BBEDRO C[C@H]1COCCN1CCNC1=[NH+]CCN1C ZINC000262481001 135301962 /nfs/dbraw/zinc/30/19/62/135301962.db2.gz CXQCGTLHYNMBPI-JTQLQIEISA-N 1 0 226.324 -0.402 20 30 BBEDRO C[C@@H]1COCCN1CCNC1=[NH+]CCN1C ZINC000262481008 135302057 /nfs/dbraw/zinc/30/20/57/135302057.db2.gz CXQCGTLHYNMBPI-SNVBAGLBSA-N 1 0 226.324 -0.402 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262482058 135301630 /nfs/dbraw/zinc/30/16/30/135301630.db2.gz IBXBIUCBGJFYGR-MRVPVSSYSA-N 1 0 203.311 -0.269 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262482059 135301691 /nfs/dbraw/zinc/30/16/91/135301691.db2.gz IBXBIUCBGJFYGR-QMMMGPOBSA-N 1 0 203.311 -0.269 20 30 BBEDRO CCN(C)C(=O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262482193 135302102 /nfs/dbraw/zinc/30/21/02/135302102.db2.gz RTKJGSFKZGJJFE-SECBINFHSA-N 1 0 242.323 -0.500 20 30 BBEDRO CCN(C)C(=O)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262482198 135302149 /nfs/dbraw/zinc/30/21/49/135302149.db2.gz RTKJGSFKZGJJFE-VIFPVBQESA-N 1 0 242.323 -0.500 20 30 BBEDRO Cc1noc(CNC(=[NH2+])N2CCO[C@H](C)C2)n1 ZINC000262484411 135301875 /nfs/dbraw/zinc/30/18/75/135301875.db2.gz SDUYDKONZZEJMP-SSDOTTSWSA-N 1 0 239.279 -0.087 20 30 BBEDRO Cc1noc(CNC(=[NH2+])N2CCO[C@@H](C)C2)n1 ZINC000262484413 135301496 /nfs/dbraw/zinc/30/14/96/135301496.db2.gz SDUYDKONZZEJMP-ZETCQYMHSA-N 1 0 239.279 -0.087 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCCn2ccnc2)CCO1 ZINC000262488785 135302528 /nfs/dbraw/zinc/30/25/28/135302528.db2.gz UDSYQSVMRUDIOW-JTQLQIEISA-N 1 0 237.307 -0.082 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCCn2ccnc2)CCO1 ZINC000262488786 135302766 /nfs/dbraw/zinc/30/27/66/135302766.db2.gz UDSYQSVMRUDIOW-SNVBAGLBSA-N 1 0 237.307 -0.082 20 30 BBEDRO CNC(NCC1(CS(C)(=O)=O)CC1)=[NH+]C ZINC000262489910 135119131 /nfs/dbraw/zinc/11/91/31/135119131.db2.gz UMGHGPFUMVXUKM-UHFFFAOYSA-N 1 0 233.337 -0.394 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262491638 135302430 /nfs/dbraw/zinc/30/24/30/135302430.db2.gz VEHSETIVPLXTEH-SECBINFHSA-N 1 0 242.323 -0.452 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262491639 135302556 /nfs/dbraw/zinc/30/25/56/135302556.db2.gz VEHSETIVPLXTEH-VIFPVBQESA-N 1 0 242.323 -0.452 20 30 BBEDRO COC(=O)[C@H](C)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262492278 536589282 /nfs/dbraw/zinc/58/92/82/536589282.db2.gz VFWIEDUOXULRBJ-BDAKNGLRSA-N 1 0 243.307 -0.169 20 30 BBEDRO COC(=O)[C@@H](C)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262492279 135302710 /nfs/dbraw/zinc/30/27/10/135302710.db2.gz VFWIEDUOXULRBJ-DTWKUNHWSA-N 1 0 243.307 -0.169 20 30 BBEDRO COC(=O)[C@@H](C)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262492280 135302651 /nfs/dbraw/zinc/30/26/51/135302651.db2.gz VFWIEDUOXULRBJ-IUCAKERBSA-N 1 0 243.307 -0.169 20 30 BBEDRO COC(=O)[C@H](C)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262492281 536590222 /nfs/dbraw/zinc/59/02/22/536590222.db2.gz VFWIEDUOXULRBJ-RKDXNWHRSA-N 1 0 243.307 -0.169 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCc2ccnn2C)CCO1 ZINC000262498093 135302381 /nfs/dbraw/zinc/30/23/81/135302381.db2.gz XGGAZLMZQCTNRI-SECBINFHSA-N 1 0 237.307 -0.045 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCc2ccnn2C)CCO1 ZINC000262498095 135302581 /nfs/dbraw/zinc/30/25/81/135302581.db2.gz XGGAZLMZQCTNRI-VIFPVBQESA-N 1 0 237.307 -0.045 20 30 BBEDRO C[NH+]=C(NCC(=O)NCC(F)F)NC1CC1 ZINC000262500366 135303414 /nfs/dbraw/zinc/30/34/14/135303414.db2.gz YBGHJODJHQWXHP-UHFFFAOYSA-N 1 0 234.250 -0.305 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCc2nccn2C)CCO1 ZINC000262501084 135303394 /nfs/dbraw/zinc/30/33/94/135303394.db2.gz YKFYCEJMTRDZAG-SECBINFHSA-N 1 0 237.307 -0.045 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCc2nccn2C)CCO1 ZINC000262501085 135303534 /nfs/dbraw/zinc/30/35/34/135303534.db2.gz YKFYCEJMTRDZAG-VIFPVBQESA-N 1 0 237.307 -0.045 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCCOCCO)CCO1 ZINC000262501537 135303517 /nfs/dbraw/zinc/30/35/17/135303517.db2.gz YPFNRSSYABGEFO-SECBINFHSA-N 1 0 231.296 -0.969 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCCOCCO)CCO1 ZINC000262501539 135303255 /nfs/dbraw/zinc/30/32/55/135303255.db2.gz YPFNRSSYABGEFO-VIFPVBQESA-N 1 0 231.296 -0.969 20 30 BBEDRO CN(C)C(=[NH2+])NCC1(S(C)(=O)=O)CCC1 ZINC000262501556 135303198 /nfs/dbraw/zinc/30/31/98/135303198.db2.gz YPMYFPBWFHXYCK-UHFFFAOYSA-N 1 0 233.337 -0.170 20 30 BBEDRO [NH2+]=C(NC[C@]1(O)CCSC1)NC1CC1 ZINC000262505095 135303189 /nfs/dbraw/zinc/30/31/89/135303189.db2.gz LFVWMJFKUYLRQZ-SECBINFHSA-N 1 0 215.322 -0.079 20 30 BBEDRO [NH2+]=C(NC[C@@]1(O)CCSC1)NC1CC1 ZINC000262505104 135303176 /nfs/dbraw/zinc/30/31/76/135303176.db2.gz LFVWMJFKUYLRQZ-VIFPVBQESA-N 1 0 215.322 -0.079 20 30 BBEDRO [NH2+]=C(NCCNC(=O)c1ccn[nH]1)NC1CC1 ZINC000262507642 135118870 /nfs/dbraw/zinc/11/88/70/135118870.db2.gz AMTJUDXMMQBWTM-UHFFFAOYSA-N 1 0 236.279 -0.794 20 30 BBEDRO Cc1nc(CNC(=[NH2+])N2CCOCC2)no1 ZINC000262514454 135303087 /nfs/dbraw/zinc/30/30/87/135303087.db2.gz FOGXLXNFWSCWIV-UHFFFAOYSA-N 1 0 225.252 -0.475 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262514942 536520015 /nfs/dbraw/zinc/52/00/15/536520015.db2.gz MRSTYHHLYKKTHN-PSASIEDQSA-N 1 0 247.364 -0.206 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262514954 536520797 /nfs/dbraw/zinc/52/07/97/536520797.db2.gz MRSTYHHLYKKTHN-SCZZXKLOSA-N 1 0 247.364 -0.206 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262514966 135304268 /nfs/dbraw/zinc/30/42/68/135304268.db2.gz MRSTYHHLYKKTHN-WCBMZHEXSA-N 1 0 247.364 -0.206 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262514976 135304020 /nfs/dbraw/zinc/30/40/20/135304020.db2.gz MRSTYHHLYKKTHN-WPRPVWTQSA-N 1 0 247.364 -0.206 20 30 BBEDRO COCCNC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262518571 135304143 /nfs/dbraw/zinc/30/41/43/135304143.db2.gz NKPHYLQNPYRBCQ-SECBINFHSA-N 1 0 233.337 -0.595 20 30 BBEDRO COCCNC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262518576 135303817 /nfs/dbraw/zinc/30/38/17/135303817.db2.gz NKPHYLQNPYRBCQ-VIFPVBQESA-N 1 0 233.337 -0.595 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000262522959 135118952 /nfs/dbraw/zinc/11/89/52/135118952.db2.gz JMONAIGRYCYIJJ-UHFFFAOYSA-N 1 0 239.279 -0.981 20 30 BBEDRO CC(C)CNC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000262524277 135118686 /nfs/dbraw/zinc/11/86/86/135118686.db2.gz JVCCCTOVXRHPJA-UHFFFAOYSA-N 1 0 241.295 -0.902 20 30 BBEDRO [NH2+]=C(NC[C@]1(O)CCSC1)N1CCOCC1 ZINC000262524536 135304267 /nfs/dbraw/zinc/30/42/67/135304267.db2.gz OIPHNMUYWJZGMF-SNVBAGLBSA-N 1 0 245.348 -0.499 20 30 BBEDRO CNC(=[NH2+])NCc1nc(C(F)(F)F)n[nH]1 ZINC000262526594 536304979 /nfs/dbraw/zinc/30/49/79/536304979.db2.gz OUGMOVUSDTVHSC-UHFFFAOYSA-N 1 0 222.174 -0.142 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCC1(O)CCC1 ZINC000262526948 135304109 /nfs/dbraw/zinc/30/41/09/135304109.db2.gz LLNCNDKORKMHRN-MRVPVSSYSA-N 1 0 215.297 -0.159 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCC1(O)CCC1 ZINC000262526950 135304175 /nfs/dbraw/zinc/30/41/75/135304175.db2.gz LLNCNDKORKMHRN-QMMMGPOBSA-N 1 0 215.297 -0.159 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262527278 135303752 /nfs/dbraw/zinc/30/37/52/135303752.db2.gz OVNVSTLPMONDCT-SECBINFHSA-N 1 0 215.322 -0.055 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262527282 135304023 /nfs/dbraw/zinc/30/40/23/135304023.db2.gz OVNVSTLPMONDCT-VIFPVBQESA-N 1 0 215.322 -0.055 20 30 BBEDRO CN(C)C(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000262527586 135119748 /nfs/dbraw/zinc/11/97/48/135119748.db2.gz LWSISGUQPGUSKG-UHFFFAOYSA-N 1 0 224.312 -0.138 20 30 BBEDRO CC(C)(C)NC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000262532246 534662516 /nfs/dbraw/zinc/66/25/16/534662516.db2.gz NYULJDKBAMXMJM-UHFFFAOYSA-N 1 0 241.295 -0.759 20 30 BBEDRO [NH2+]=C(NC[C@H]1CCC[C@@H]1O)N1CCOCC1 ZINC000262536897 135304991 /nfs/dbraw/zinc/30/49/91/135304991.db2.gz QBXCRBPHUBNESC-ZJUUUORDSA-N 1 0 227.308 -0.206 20 30 BBEDRO Cc1cnn(CCNC(=[NH2+])N2CCOCC2)c1 ZINC000262540331 135119673 /nfs/dbraw/zinc/11/96/73/135119673.db2.gz ROTLGMUIGTUQHN-UHFFFAOYSA-N 1 0 237.307 -0.162 20 30 BBEDRO [NH2+]=C(NCC1(O)CCC1)N1CCOCC1 ZINC000262544977 135305438 /nfs/dbraw/zinc/30/54/38/135305438.db2.gz UURJKNYWMINGJX-UHFFFAOYSA-N 1 0 213.281 -0.452 20 30 BBEDRO CNC(=[NH2+])NCc1cccc(N2CCOCC2)n1 ZINC000262561893 536305399 /nfs/dbraw/zinc/30/53/99/536305399.db2.gz WOYJCCVDNNEZQQ-UHFFFAOYSA-N 1 0 249.318 -0.048 20 30 BBEDRO NC(=O)c1ccc(CNC(=[NH2+])NC2CC2)o1 ZINC000262568310 135306316 /nfs/dbraw/zinc/30/63/16/135306316.db2.gz YJDYCKPCQPNJEY-UHFFFAOYSA-N 1 0 222.248 -0.055 20 30 BBEDRO CCNC(NCCN1C(=O)CNC1=O)=[NH+]CC ZINC000262568942 135119816 /nfs/dbraw/zinc/11/98/16/135119816.db2.gz MMQPXMAWFSJROI-UHFFFAOYSA-N 1 0 241.295 -0.887 20 30 BBEDRO C[NH+]=C(NCc1nncn1C)NC(C)C ZINC000262571871 135306472 /nfs/dbraw/zinc/30/64/72/135306472.db2.gz NESLUHBYAANRRG-UHFFFAOYSA-N 1 0 210.285 -0.112 20 30 BBEDRO C[NH+]=C(NCC(=O)NC1CC1)NC(C)C ZINC000262579987 135306465 /nfs/dbraw/zinc/30/64/65/135306465.db2.gz QADPCBQZXAZAJU-UHFFFAOYSA-N 1 0 212.297 -0.162 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000262589369 135119659 /nfs/dbraw/zinc/11/96/59/135119659.db2.gz UGZSSYROWIKNNF-SSDOTTSWSA-N 1 0 241.295 -0.759 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000262589370 135119671 /nfs/dbraw/zinc/11/96/71/135119671.db2.gz UGZSSYROWIKNNF-ZETCQYMHSA-N 1 0 241.295 -0.759 20 30 BBEDRO C#CCNC(NCCNc1cnccn1)=[NH+]C ZINC000262598997 533143347 /nfs/dbraw/zinc/14/33/47/533143347.db2.gz ASRWFPRQYJNXKI-UHFFFAOYSA-N 1 0 232.291 -0.313 20 30 BBEDRO C#CCNC(NC[C@@H]1COCCO1)=[NH+]C ZINC000262599787 533141474 /nfs/dbraw/zinc/14/14/74/533141474.db2.gz AZWWJECMLCDDGD-SECBINFHSA-N 1 0 211.265 -0.800 20 30 BBEDRO C#CCNC(NC[C@H]1COCCO1)=[NH+]C ZINC000262599788 533140685 /nfs/dbraw/zinc/14/06/85/533140685.db2.gz AZWWJECMLCDDGD-VIFPVBQESA-N 1 0 211.265 -0.800 20 30 BBEDRO CNC(=[NH2+])N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262601315 135307800 /nfs/dbraw/zinc/30/78/00/135307800.db2.gz YRMIUUGNLJOYGP-SECBINFHSA-N 1 0 240.307 -0.746 20 30 BBEDRO CNC(=[NH2+])N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262601318 135307737 /nfs/dbraw/zinc/30/77/37/135307737.db2.gz YRMIUUGNLJOYGP-VIFPVBQESA-N 1 0 240.307 -0.746 20 30 BBEDRO C#CCNC(NCCn1ccnc1)=[NH+]C ZINC000262601328 533143171 /nfs/dbraw/zinc/14/31/71/533143171.db2.gz CQJNAEIBZCTVRG-UHFFFAOYSA-N 1 0 205.265 -0.319 20 30 BBEDRO C#CCNC(NC[C@H]1CN(C)CCO1)=[NH+]C ZINC000262605854 533141547 /nfs/dbraw/zinc/14/15/47/533141547.db2.gz GIWFUAJCBNFCPB-JTQLQIEISA-N 1 0 224.308 -0.885 20 30 BBEDRO C#CCNC(NC[C@@H]1CN(C)CCO1)=[NH+]C ZINC000262605855 533141103 /nfs/dbraw/zinc/14/11/03/533141103.db2.gz GIWFUAJCBNFCPB-SNVBAGLBSA-N 1 0 224.308 -0.885 20 30 BBEDRO C#CCNC(NCc1nncn1CC)=[NH+]CC ZINC000262613385 533142266 /nfs/dbraw/zinc/14/22/66/533142266.db2.gz KBBRRAPYAAVYBW-UHFFFAOYSA-N 1 0 234.307 -0.014 20 30 BBEDRO C#CCNC(NCc1nnc2n1CCCC2)=[NH+]C ZINC000262615491 533141154 /nfs/dbraw/zinc/14/11/54/533141154.db2.gz LJYSUIHUNKJYGI-UHFFFAOYSA-N 1 0 246.318 -0.087 20 30 BBEDRO C#CCNC(NCCN(C)C1CC1)=[NH+]C ZINC000262615883 533143153 /nfs/dbraw/zinc/14/31/53/533143153.db2.gz CUFKOENRCKGVOL-UHFFFAOYSA-N 1 0 208.309 -0.121 20 30 BBEDRO C#CCNC(NCCc1nc(C)no1)=[NH+]C ZINC000262616650 533142631 /nfs/dbraw/zinc/14/26/31/533142631.db2.gz MLZKTJGNGCBXSL-UHFFFAOYSA-N 1 0 221.264 -0.281 20 30 BBEDRO C#CCNC(NCCn1ccnc1C)=[NH+]C ZINC000262620185 533142470 /nfs/dbraw/zinc/14/24/70/533142470.db2.gz GCDGZXFHPMQZTP-UHFFFAOYSA-N 1 0 219.292 -0.010 20 30 BBEDRO C#CCNC(NCCn1cncn1)=[NH+]C ZINC000262622466 533143067 /nfs/dbraw/zinc/14/30/67/533143067.db2.gz QFKKQHWMPFGDRH-UHFFFAOYSA-N 1 0 206.253 -0.924 20 30 BBEDRO CNC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000262624715 536305310 /nfs/dbraw/zinc/30/53/10/536305310.db2.gz DEZRSMQREAXQNZ-UHFFFAOYSA-N 1 0 210.285 -0.480 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC(=O)NCc2ccco2)N1 ZINC000262625831 135309706 /nfs/dbraw/zinc/30/97/06/135309706.db2.gz DKFSDXZCHQWPSX-MRVPVSSYSA-N 1 0 236.275 -0.167 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC(=O)NCc2ccco2)N1 ZINC000262625838 135309344 /nfs/dbraw/zinc/30/93/44/135309344.db2.gz DKFSDXZCHQWPSX-QMMMGPOBSA-N 1 0 236.275 -0.167 20 30 BBEDRO CN1CC[NH+]=C1NCCc1cnccn1 ZINC000262627015 135309372 /nfs/dbraw/zinc/30/93/72/135309372.db2.gz DRWWEOOPORVZGD-UHFFFAOYSA-N 1 0 205.265 -0.090 20 30 BBEDRO CNC(NCc1cnc(N(C)C)n1C)=[NH+]C ZINC000262627355 135119798 /nfs/dbraw/zinc/11/97/98/135119798.db2.gz DPUNGZFHUSUBRC-UHFFFAOYSA-N 1 0 224.312 -0.219 20 30 BBEDRO N#CCNC(=O)CNC(=[NH2+])NC1CCCCC1 ZINC000262628055 135309490 /nfs/dbraw/zinc/30/94/90/135309490.db2.gz DZPZZPBGFBXNOA-UHFFFAOYSA-N 1 0 237.307 -0.137 20 30 BBEDRO C#CCNC(NC[C@H]1COCCO1)=[NH+]CC ZINC000262628950 533142993 /nfs/dbraw/zinc/14/29/93/533142993.db2.gz UTLBLOYRHSVYRS-JTQLQIEISA-N 1 0 225.292 -0.410 20 30 BBEDRO C#CCNC(NC[C@@H]1COCCO1)=[NH+]CC ZINC000262628953 533142325 /nfs/dbraw/zinc/14/23/25/533142325.db2.gz UTLBLOYRHSVYRS-SNVBAGLBSA-N 1 0 225.292 -0.410 20 30 BBEDRO CC(C)CNC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000262629483 135309368 /nfs/dbraw/zinc/30/93/68/135309368.db2.gz FKZMFJDSRRTENV-UHFFFAOYSA-N 1 0 235.295 -0.290 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC2([S@@](C)=O)CC2)N1 ZINC000262630327 135309208 /nfs/dbraw/zinc/30/92/08/135309208.db2.gz FQGXVMDAVLTLCZ-JKYUHCHBSA-N 1 0 215.322 -0.165 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC2([S@@](C)=O)CC2)N1 ZINC000262630328 135309718 /nfs/dbraw/zinc/30/97/18/135309718.db2.gz FQGXVMDAVLTLCZ-NXSYQRQQSA-N 1 0 215.322 -0.165 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC2([S@](C)=O)CC2)N1 ZINC000262630329 135309411 /nfs/dbraw/zinc/30/94/11/135309411.db2.gz FQGXVMDAVLTLCZ-UOWDBTKRSA-N 1 0 215.322 -0.165 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC2([S@](C)=O)CC2)N1 ZINC000262630330 135309264 /nfs/dbraw/zinc/30/92/64/135309264.db2.gz FQGXVMDAVLTLCZ-WJWGPLDTSA-N 1 0 215.322 -0.165 20 30 BBEDRO COCCNC(=[NH2+])NC[C@H]1CCC[C@@H]1O ZINC000262630414 135309557 /nfs/dbraw/zinc/30/95/57/135309557.db2.gz FGIUBGCCCSPPRZ-BDAKNGLRSA-N 1 0 215.297 -0.302 20 30 BBEDRO C#CCNC(NCc1nc(C)no1)=[NH+]C ZINC000262630848 533141372 /nfs/dbraw/zinc/14/13/72/533141372.db2.gz WAYATEUFEIWBHR-UHFFFAOYSA-N 1 0 207.237 -0.324 20 30 BBEDRO C#CCNC(NCCNC(=O)c1ccco1)=[NH+]C ZINC000262636031 533142401 /nfs/dbraw/zinc/14/24/01/533142401.db2.gz ZITBCGCVSYMZKY-UHFFFAOYSA-N 1 0 248.286 -0.192 20 30 BBEDRO CN1CC[NH+]=C1NCCN1CCCOCC1 ZINC000262638600 135309915 /nfs/dbraw/zinc/30/99/15/135309915.db2.gz HIJMVOBZYSUCIU-UHFFFAOYSA-N 1 0 226.324 -0.400 20 30 BBEDRO C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC1CC1 ZINC000262640113 135120755 /nfs/dbraw/zinc/12/07/55/135120755.db2.gz HEYLNNKXCJVFDH-JTQLQIEISA-N 1 0 237.307 -0.219 20 30 BBEDRO C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC1CC1 ZINC000262640119 135120406 /nfs/dbraw/zinc/12/04/06/135120406.db2.gz HEYLNNKXCJVFDH-SNVBAGLBSA-N 1 0 237.307 -0.219 20 30 BBEDRO CN(C)c1nccc(CNC2=[NH+]CCN2C)n1 ZINC000262641043 135310660 /nfs/dbraw/zinc/31/06/60/135310660.db2.gz HVYZIBLELUHVAH-UHFFFAOYSA-N 1 0 234.307 -0.066 20 30 BBEDRO CC(C)NC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000262641072 135309894 /nfs/dbraw/zinc/30/98/94/135309894.db2.gz HWHWEJFGXGZPPJ-UHFFFAOYSA-N 1 0 221.268 -0.538 20 30 BBEDRO CN1CC[NH+]=C1NCC1(CS(C)(=O)=O)CC1 ZINC000262642004 135309938 /nfs/dbraw/zinc/30/99/38/135309938.db2.gz HZQAPOHWVOYULV-UHFFFAOYSA-N 1 0 245.348 -0.298 20 30 BBEDRO C#CCNC(NCCNC(=O)C1CC1)=[NH+]C ZINC000262643960 533142284 /nfs/dbraw/zinc/14/22/84/533142284.db2.gz QNOBPJMFFBIPSR-UHFFFAOYSA-N 1 0 222.292 -0.689 20 30 BBEDRO CC(C)C(=O)NCCNC1=[NH+]C[C@@H](C)N1 ZINC000262644489 135310790 /nfs/dbraw/zinc/31/07/90/135310790.db2.gz IRBKIVXATJVELY-MRVPVSSYSA-N 1 0 212.297 -0.304 20 30 BBEDRO CC(C)C(=O)NCCNC1=[NH+]C[C@H](C)N1 ZINC000262644492 135311467 /nfs/dbraw/zinc/31/14/67/135311467.db2.gz IRBKIVXATJVELY-QMMMGPOBSA-N 1 0 212.297 -0.304 20 30 BBEDRO CN1CC[NH+]=C1NCC(=O)NCC1CC1 ZINC000262647384 135311399 /nfs/dbraw/zinc/31/13/99/135311399.db2.gz JMKIDDZJUSLGEN-UHFFFAOYSA-N 1 0 210.281 -0.596 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCc1ncn(C)n1 ZINC000262648170 135120766 /nfs/dbraw/zinc/12/07/66/135120766.db2.gz JTOLLKGBTVLJOX-UHFFFAOYSA-N 1 0 208.269 -0.205 20 30 BBEDRO CN1CC[NH+]=C1NCCNC(=O)c1ccn[nH]1 ZINC000262649567 135120453 /nfs/dbraw/zinc/12/04/53/135120453.db2.gz KBDRYKXTGUAVJH-UHFFFAOYSA-N 1 0 236.279 -0.970 20 30 BBEDRO CN1CC[NH+]=C1NCC(=O)Nc1cccnc1 ZINC000262649611 135311062 /nfs/dbraw/zinc/31/10/62/135311062.db2.gz KBOCBVSYYQSDOI-UHFFFAOYSA-N 1 0 233.275 -0.089 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCS(=O)(=O)CC2CC2)N1 ZINC000262650617 135310828 /nfs/dbraw/zinc/31/08/28/135310828.db2.gz KICZTOYIJDNKLA-MRVPVSSYSA-N 1 0 245.348 -0.252 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCS(=O)(=O)CC2CC2)N1 ZINC000262650618 135310831 /nfs/dbraw/zinc/31/08/31/135310831.db2.gz KICZTOYIJDNKLA-QMMMGPOBSA-N 1 0 245.348 -0.252 20 30 BBEDRO CN1CC[NH+]=C1NCC(=O)NCC(F)(F)F ZINC000262651356 135310846 /nfs/dbraw/zinc/31/08/46/135310846.db2.gz KOLGRSZVAUUXHO-UHFFFAOYSA-N 1 0 238.213 -0.444 20 30 BBEDRO CCN(CC)C(=[NH2+])NCCn1cnc(C#N)n1 ZINC000262651474 535389767 /nfs/dbraw/zinc/38/97/67/535389767.db2.gz KPCOODJRXOCYBR-UHFFFAOYSA-N 1 0 235.295 -0.194 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCN2CCCOCC2)N1 ZINC000262652120 135310808 /nfs/dbraw/zinc/31/08/08/135310808.db2.gz KRNBLUBTUAQCJD-JTQLQIEISA-N 1 0 226.324 -0.354 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCN2CCCOCC2)N1 ZINC000262652121 135310782 /nfs/dbraw/zinc/31/07/82/135310782.db2.gz KRNBLUBTUAQCJD-SNVBAGLBSA-N 1 0 226.324 -0.354 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC(=O)NCC(F)F)N1 ZINC000262654947 135311637 /nfs/dbraw/zinc/31/16/37/135311637.db2.gz LIFLODKOIYOBFG-RXMQYKEDSA-N 1 0 220.223 -0.695 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC(=O)NCC(F)F)N1 ZINC000262654949 135311829 /nfs/dbraw/zinc/31/18/29/135311829.db2.gz LIFLODKOIYOBFG-YFKPBYRVSA-N 1 0 220.223 -0.695 20 30 BBEDRO CC(C)(C)NC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000262656320 534662636 /nfs/dbraw/zinc/66/26/36/534662636.db2.gz LSDGSVCFSOLGBN-UHFFFAOYSA-N 1 0 235.295 -0.147 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCc2cnc(N(C)C)n2C)N1 ZINC000262656875 135311694 /nfs/dbraw/zinc/31/16/94/135311694.db2.gz LURNZUVEFBGYOQ-MRVPVSSYSA-N 1 0 236.323 -0.077 20 30 BBEDRO C[C@H]1C[NH+]=C(NCc2cnc(N(C)C)n2C)N1 ZINC000262656878 135311708 /nfs/dbraw/zinc/31/17/08/135311708.db2.gz LURNZUVEFBGYOQ-QMMMGPOBSA-N 1 0 236.323 -0.077 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCNC(=O)c2ccn[nH]2)N1 ZINC000262657124 135120738 /nfs/dbraw/zinc/12/07/38/135120738.db2.gz LXTATSPODFZTLC-SSDOTTSWSA-N 1 0 236.279 -0.923 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCNC(=O)c2ccn[nH]2)N1 ZINC000262657125 135120224 /nfs/dbraw/zinc/12/02/24/135120224.db2.gz LXTATSPODFZTLC-ZETCQYMHSA-N 1 0 236.279 -0.923 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H]1CC[C@@H](CO)O1 ZINC000262657848 135120278 /nfs/dbraw/zinc/12/02/78/135120278.db2.gz VQYQTHMXCNBJOQ-BDAKNGLRSA-N 1 0 213.281 -0.383 20 30 BBEDRO C[C@@H]1C[NH+]=C(NC[C@@]2(O)CCSC2)N1 ZINC000262658389 135311891 /nfs/dbraw/zinc/31/18/91/135311891.db2.gz MFUDSRCULIJLDP-APPZFPTMSA-N 1 0 215.322 -0.208 20 30 BBEDRO C[C@H]1C[NH+]=C(NC[C@@]2(O)CCSC2)N1 ZINC000262658390 135120659 /nfs/dbraw/zinc/12/06/59/135120659.db2.gz MFUDSRCULIJLDP-CBAPKCEASA-N 1 0 215.322 -0.208 20 30 BBEDRO C[C@H]1C[NH+]=C(NC[C@]2(O)CCSC2)N1 ZINC000262658392 135311758 /nfs/dbraw/zinc/31/17/58/135311758.db2.gz MFUDSRCULIJLDP-IONNQARKSA-N 1 0 215.322 -0.208 20 30 BBEDRO C[C@@H]1C[NH+]=C(NC[C@]2(O)CCSC2)N1 ZINC000262658393 135312138 /nfs/dbraw/zinc/31/21/38/135312138.db2.gz MFUDSRCULIJLDP-VXNVDRBHSA-N 1 0 215.322 -0.208 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@]1(OC)CCOC1 ZINC000262659652 135312226 /nfs/dbraw/zinc/31/22/26/135312226.db2.gz LJVOVWQOUPSSDC-JTQLQIEISA-N 1 0 213.281 -0.118 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@]1(OC)CCOC1 ZINC000262659658 135311990 /nfs/dbraw/zinc/31/19/90/135311990.db2.gz LJVOVWQOUPSSDC-SNVBAGLBSA-N 1 0 213.281 -0.118 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCNC(=O)c2ccco2)N1 ZINC000262659713 135120192 /nfs/dbraw/zinc/12/01/92/135120192.db2.gz MOYQXWGKSCTABB-MRVPVSSYSA-N 1 0 236.275 -0.053 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCNC(=O)c2ccco2)N1 ZINC000262659715 135120754 /nfs/dbraw/zinc/12/07/54/135120754.db2.gz MOYQXWGKSCTABB-QMMMGPOBSA-N 1 0 236.275 -0.053 20 30 BBEDRO N#Cc1ncn(CCNC(=[NH2+])NCC2CCC2)n1 ZINC000262659790 135311745 /nfs/dbraw/zinc/31/17/45/135311745.db2.gz MQQQSTFBTBYDQA-UHFFFAOYSA-N 1 0 247.306 -0.146 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCc2ccc(C(N)=O)nc2)N1 ZINC000262660517 135311680 /nfs/dbraw/zinc/31/16/80/135311680.db2.gz MWGPXNIWUZKCIH-SSDOTTSWSA-N 1 0 233.275 -0.382 20 30 BBEDRO C[C@H]1C[NH+]=C(NCc2ccc(C(N)=O)nc2)N1 ZINC000262660523 135312239 /nfs/dbraw/zinc/31/22/39/135312239.db2.gz MWGPXNIWUZKCIH-ZETCQYMHSA-N 1 0 233.275 -0.382 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC(=O)NCC(F)(F)F)N1 ZINC000262661236 135312170 /nfs/dbraw/zinc/31/21/70/135312170.db2.gz MZHZDBRHZSBNDW-RXMQYKEDSA-N 1 0 238.213 -0.398 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC(=O)NCC(F)(F)F)N1 ZINC000262661240 135311688 /nfs/dbraw/zinc/31/16/88/135311688.db2.gz MZHZDBRHZSBNDW-YFKPBYRVSA-N 1 0 238.213 -0.398 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC2(CS(C)(=O)=O)CC2)N1 ZINC000262662999 135311724 /nfs/dbraw/zinc/31/17/24/135311724.db2.gz NJSDQOVBIAAFAS-MRVPVSSYSA-N 1 0 245.348 -0.252 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC2(CS(C)(=O)=O)CC2)N1 ZINC000262663000 135311604 /nfs/dbraw/zinc/31/16/04/135311604.db2.gz NJSDQOVBIAAFAS-QMMMGPOBSA-N 1 0 245.348 -0.252 20 30 BBEDRO CN1CC[NH+]=C1NCC1(N2CCOCC2)CC1 ZINC000262663033 135312338 /nfs/dbraw/zinc/31/23/38/135312338.db2.gz NLJBPTXIVHYKCD-UHFFFAOYSA-N 1 0 238.335 -0.258 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC2(N3CCOCC3)CC2)N1 ZINC000262663344 135311866 /nfs/dbraw/zinc/31/18/66/135311866.db2.gz NQFOLNLHXTTXEC-JTQLQIEISA-N 1 0 238.335 -0.212 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC2(N3CCOCC3)CC2)N1 ZINC000262663346 135311900 /nfs/dbraw/zinc/31/19/00/135311900.db2.gz NQFOLNLHXTTXEC-SNVBAGLBSA-N 1 0 238.335 -0.212 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCNC(=O)c2cccnc2)N1 ZINC000262663867 135120673 /nfs/dbraw/zinc/12/06/73/135120673.db2.gz NVCZVRISHIEFNK-SECBINFHSA-N 1 0 247.302 -0.251 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCNC(=O)c2cccnc2)N1 ZINC000262663868 135120736 /nfs/dbraw/zinc/12/07/36/135120736.db2.gz NVCZVRISHIEFNK-VIFPVBQESA-N 1 0 247.302 -0.251 20 30 BBEDRO C=CCS(=O)(=O)CCNC1=[NH+]CCN1C ZINC000262664339 135120336 /nfs/dbraw/zinc/12/03/36/135120336.db2.gz NZBDKEHXDSRONW-UHFFFAOYSA-N 1 0 231.321 -0.522 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC2(CO)CCOCC2)N1 ZINC000262664393 135312194 /nfs/dbraw/zinc/31/21/94/135312194.db2.gz OCBHJAGFPMOHIA-SECBINFHSA-N 1 0 227.308 -0.287 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC2(CO)CCOCC2)N1 ZINC000262664394 135312159 /nfs/dbraw/zinc/31/21/59/135312159.db2.gz OCBHJAGFPMOHIA-VIFPVBQESA-N 1 0 227.308 -0.287 20 30 BBEDRO CCN(CC)C(=[NH2+])NCc1ncn(C)n1 ZINC000262667591 535390358 /nfs/dbraw/zinc/39/03/58/535390358.db2.gz PLZPDPJDVUWRPT-UHFFFAOYSA-N 1 0 210.285 -0.028 20 30 BBEDRO COCCn1cc(CNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000262667896 135312475 /nfs/dbraw/zinc/31/24/75/135312475.db2.gz PRXMMFZAYDTFEZ-SECBINFHSA-N 1 0 237.307 -0.033 20 30 BBEDRO COCCn1cc(CNC2=[NH+]C[C@H](C)N2)cn1 ZINC000262667899 135312515 /nfs/dbraw/zinc/31/25/15/135312515.db2.gz PRXMMFZAYDTFEZ-VIFPVBQESA-N 1 0 237.307 -0.033 20 30 BBEDRO CO[C@@]1(CNC(=[NH2+])N2CCOCC2)CCOC1 ZINC000262668513 636440939 /nfs/dbraw/zinc/44/09/39/636440939.db2.gz OJXDPEHQLDSTKZ-LLVKDONJSA-N 1 0 243.307 -0.561 20 30 BBEDRO CO[C@]1(CNC(=[NH2+])N2CCOCC2)CCOC1 ZINC000262668515 636440583 /nfs/dbraw/zinc/44/05/83/636440583.db2.gz OJXDPEHQLDSTKZ-NSHDSACASA-N 1 0 243.307 -0.561 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCc2ccnc(N(C)C)n2)N1 ZINC000262669154 642117213 /nfs/dbraw/zinc/11/72/13/642117213.db2.gz QDWMKFISTRNGOZ-MRVPVSSYSA-N 1 0 234.307 -0.020 20 30 BBEDRO C[C@H]1C[NH+]=C(NCc2ccnc(N(C)C)n2)N1 ZINC000262669155 642116643 /nfs/dbraw/zinc/11/66/43/642116643.db2.gz QDWMKFISTRNGOZ-QMMMGPOBSA-N 1 0 234.307 -0.020 20 30 BBEDRO COCCn1cc(CNC2=[NH+]CCN2C)cn1 ZINC000262670009 135120297 /nfs/dbraw/zinc/12/02/97/135120297.db2.gz QNWVEDHYHIWDBB-UHFFFAOYSA-N 1 0 237.307 -0.080 20 30 BBEDRO CCn1ncnc1CNC1=[NH+]CCN1C ZINC000262670489 136374680 /nfs/dbraw/zinc/37/46/80/136374680.db2.gz QQYRKHNAIXNJQZ-UHFFFAOYSA-N 1 0 208.269 -0.311 20 30 BBEDRO CN1CC[NH+]=C1NCCN1CCOCC1(C)C ZINC000262670589 136374737 /nfs/dbraw/zinc/37/47/37/136374737.db2.gz QRZMCCQFOWWFGQ-UHFFFAOYSA-N 1 0 240.351 -0.012 20 30 BBEDRO CN1CC[NH+]=C1NCC(C)(C)N1CCOCC1 ZINC000262670651 136374776 /nfs/dbraw/zinc/37/47/76/136374776.db2.gz QTGDJLWAGZWYGK-UHFFFAOYSA-N 1 0 240.351 -0.012 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC2(S(C)(=O)=O)CC2)N1 ZINC000262671001 135120241 /nfs/dbraw/zinc/12/02/41/135120241.db2.gz QZPHQRLEKYOIDN-SSDOTTSWSA-N 1 0 231.321 -0.499 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC2(S(C)(=O)=O)CC2)N1 ZINC000262671002 136374644 /nfs/dbraw/zinc/37/46/44/136374644.db2.gz QZPHQRLEKYOIDN-ZETCQYMHSA-N 1 0 231.321 -0.499 20 30 BBEDRO N#CCNC(=O)CNC(=[NH2+])N1CCCCCC1 ZINC000262672086 136374675 /nfs/dbraw/zinc/37/46/75/136374675.db2.gz RMZHXEUHRJPJKT-UHFFFAOYSA-N 1 0 237.307 -0.183 20 30 BBEDRO CC(C)C(=O)NCCNC1=[NH+]CCN1C ZINC000262672515 642125211 /nfs/dbraw/zinc/12/52/11/642125211.db2.gz RUVVKZBSFRUXKB-UHFFFAOYSA-N 1 0 212.297 -0.350 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC2(S(C)(=O)=O)CCC2)N1 ZINC000262672520 136374697 /nfs/dbraw/zinc/37/46/97/136374697.db2.gz RVAJCJLMLLWIOG-MRVPVSSYSA-N 1 0 245.348 -0.109 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC2(S(C)(=O)=O)CCC2)N1 ZINC000262672521 136374582 /nfs/dbraw/zinc/37/45/82/136374582.db2.gz RVAJCJLMLLWIOG-QMMMGPOBSA-N 1 0 245.348 -0.109 20 30 BBEDRO CN1CC[NH+]=C1NCc1ccc(C(N)=O)o1 ZINC000262673078 136374571 /nfs/dbraw/zinc/37/45/71/136374571.db2.gz RZGKWDSTODBIKK-UHFFFAOYSA-N 1 0 222.248 -0.231 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC(=O)NCC2CC2)N1 ZINC000262673683 136374599 /nfs/dbraw/zinc/37/45/99/136374599.db2.gz SHFBCJLMMXUULI-SSDOTTSWSA-N 1 0 210.281 -0.550 20 30 BBEDRO C[C@H]1C[NH+]=C(NCC(=O)NCC2CC2)N1 ZINC000262673684 136374687 /nfs/dbraw/zinc/37/46/87/136374687.db2.gz SHFBCJLMMXUULI-ZETCQYMHSA-N 1 0 210.281 -0.550 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCNc2cnccn2)N1 ZINC000262673951 136374624 /nfs/dbraw/zinc/37/46/24/136374624.db2.gz SHWKPWMQNFJOEX-MRVPVSSYSA-N 1 0 220.280 -0.174 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCNc2cnccn2)N1 ZINC000262673952 136374569 /nfs/dbraw/zinc/37/45/69/136374569.db2.gz SHWKPWMQNFJOEX-QMMMGPOBSA-N 1 0 220.280 -0.174 20 30 BBEDRO CN1CC[NH+]=C1NC[C@]1(O)CCSC1 ZINC000262675531 135313228 /nfs/dbraw/zinc/31/32/28/135313228.db2.gz TVWLEOYWMDTWRZ-SECBINFHSA-N 1 0 215.322 -0.255 20 30 BBEDRO CN1CC[NH+]=C1NC[C@@]1(O)CCSC1 ZINC000262675537 135312938 /nfs/dbraw/zinc/31/29/38/135312938.db2.gz TVWLEOYWMDTWRZ-VIFPVBQESA-N 1 0 215.322 -0.255 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCc2cnccn2)N1 ZINC000262676603 135313096 /nfs/dbraw/zinc/31/30/96/135313096.db2.gz UEBXLCLCGDWRKF-MRVPVSSYSA-N 1 0 205.265 -0.044 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCc2cnccn2)N1 ZINC000262676604 135312725 /nfs/dbraw/zinc/31/27/25/135312725.db2.gz UEBXLCLCGDWRKF-QMMMGPOBSA-N 1 0 205.265 -0.044 20 30 BBEDRO CN1CC[NH+]=C1NCC1(S(C)(=O)=O)CC1 ZINC000262677221 135313305 /nfs/dbraw/zinc/31/33/05/135313305.db2.gz UJVOKISROIVOBL-UHFFFAOYSA-N 1 0 231.321 -0.545 20 30 BBEDRO N#CCNC(=O)CNC(=[NH2+])NCC1CCC1 ZINC000262677866 135312801 /nfs/dbraw/zinc/31/28/01/135312801.db2.gz URLAESAOHHVMSJ-UHFFFAOYSA-N 1 0 223.280 -0.669 20 30 BBEDRO CN1CC[NH+]=C1NCCNC(=O)c1cccnc1 ZINC000262679036 135120933 /nfs/dbraw/zinc/12/09/33/135120933.db2.gz VEYWGRMPKAUCHC-UHFFFAOYSA-N 1 0 247.302 -0.298 20 30 BBEDRO CN1CC[NH+]=C1NCc1ccc(C(N)=O)nc1 ZINC000262679953 135312958 /nfs/dbraw/zinc/31/29/58/135312958.db2.gz VPFIXZJIKULGFQ-UHFFFAOYSA-N 1 0 233.275 -0.429 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCC2(O)CCOCC2)N1 ZINC000262679960 135313369 /nfs/dbraw/zinc/31/33/69/135313369.db2.gz VPLXBAJVJBPLPZ-SECBINFHSA-N 1 0 227.308 -0.145 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCC2(O)CCOCC2)N1 ZINC000262679961 135312736 /nfs/dbraw/zinc/31/27/36/135312736.db2.gz VPLXBAJVJBPLPZ-VIFPVBQESA-N 1 0 227.308 -0.145 20 30 BBEDRO CC(C)NS(=O)(=O)CCNC1=[NH+]C[C@@H](C)N1 ZINC000262680379 135313255 /nfs/dbraw/zinc/31/32/55/135313255.db2.gz VVRQFPNQJJVEFO-MRVPVSSYSA-N 1 0 248.352 -0.749 20 30 BBEDRO CC(C)NS(=O)(=O)CCNC1=[NH+]C[C@H](C)N1 ZINC000262680381 135312904 /nfs/dbraw/zinc/31/29/04/135312904.db2.gz VVRQFPNQJJVEFO-QMMMGPOBSA-N 1 0 248.352 -0.749 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@H]1CN(C2CC2)CCO1 ZINC000262681552 135312738 /nfs/dbraw/zinc/31/27/38/135312738.db2.gz AYNPJYRWBARCOR-JTQLQIEISA-N 1 0 226.324 -0.274 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@@H]1CN(C2CC2)CCO1 ZINC000262681556 135313101 /nfs/dbraw/zinc/31/31/01/135313101.db2.gz AYNPJYRWBARCOR-SNVBAGLBSA-N 1 0 226.324 -0.274 20 30 BBEDRO CN1CC[NH+]=C1NCC1(S(C)(=O)=O)CCC1 ZINC000262681941 135313231 /nfs/dbraw/zinc/31/32/31/135313231.db2.gz WOMMNRYLYAOJND-UHFFFAOYSA-N 1 0 245.348 -0.155 20 30 BBEDRO CN1CC[NH+]=C1NCCS(=O)(=O)CC1CC1 ZINC000262682247 135312843 /nfs/dbraw/zinc/31/28/43/135312843.db2.gz WSUITAGZKRMBAM-UHFFFAOYSA-N 1 0 245.348 -0.298 20 30 BBEDRO CN1CC[NH+]=C1NC[C@@H]1CN(C2CC2)CCO1 ZINC000262682437 135313162 /nfs/dbraw/zinc/31/31/62/135313162.db2.gz BQTPKCGEQLNHMF-LLVKDONJSA-N 1 0 238.335 -0.259 20 30 BBEDRO CN1CC[NH+]=C1NC[C@H]1CN(C2CC2)CCO1 ZINC000262682438 135313069 /nfs/dbraw/zinc/31/30/69/135313069.db2.gz BQTPKCGEQLNHMF-NSHDSACASA-N 1 0 238.335 -0.259 20 30 BBEDRO C[C@@H]1CCCN(C(=[NH2+])NCC(=O)NCC#N)C1 ZINC000262682496 135313286 /nfs/dbraw/zinc/31/32/86/135313286.db2.gz WVALKUDGMIJGSL-SECBINFHSA-N 1 0 237.307 -0.327 20 30 BBEDRO C[C@H]1CCCN(C(=[NH2+])NCC(=O)NCC#N)C1 ZINC000262682497 135313173 /nfs/dbraw/zinc/31/31/73/135313173.db2.gz WVALKUDGMIJGSL-VIFPVBQESA-N 1 0 237.307 -0.327 20 30 BBEDRO CC(C)NS(=O)(=O)CCNC1=[NH+]CCN1C ZINC000262683241 135313021 /nfs/dbraw/zinc/31/30/21/135313021.db2.gz XHAUPLFIOKMYFL-UHFFFAOYSA-N 1 0 248.352 -0.795 20 30 BBEDRO C=CCS(=O)(=O)CCNC1=[NH+]C[C@@H](C)N1 ZINC000262683642 135120994 /nfs/dbraw/zinc/12/09/94/135120994.db2.gz XKCWOZSTAMSUGK-MRVPVSSYSA-N 1 0 231.321 -0.476 20 30 BBEDRO C=CCS(=O)(=O)CCNC1=[NH+]C[C@H](C)N1 ZINC000262683644 135120877 /nfs/dbraw/zinc/12/08/77/135120877.db2.gz XKCWOZSTAMSUGK-QMMMGPOBSA-N 1 0 231.321 -0.476 20 30 BBEDRO [NH2+]=C(NC[C@@H]1CN(C2CC2)CCO1)NC1CC1 ZINC000262684964 135314087 /nfs/dbraw/zinc/31/40/87/135314087.db2.gz CURHMNGJBUALHL-LLVKDONJSA-N 1 0 238.335 -0.084 20 30 BBEDRO [NH2+]=C(NC[C@H]1CN(C2CC2)CCO1)NC1CC1 ZINC000262684965 135313633 /nfs/dbraw/zinc/31/36/33/135313633.db2.gz CURHMNGJBUALHL-NSHDSACASA-N 1 0 238.335 -0.084 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCN2CCOC[C@H]2C)N1 ZINC000262685062 135313506 /nfs/dbraw/zinc/31/35/06/135313506.db2.gz YCCCEAPIROHHBQ-NXEZZACHSA-N 1 0 226.324 -0.356 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCN2CCOC[C@@H]2C)N1 ZINC000262685073 135313519 /nfs/dbraw/zinc/31/35/19/135313519.db2.gz YCCCEAPIROHHBQ-ZJUUUORDSA-N 1 0 226.324 -0.356 20 30 BBEDRO CN1CC[NH+]=C1NCCNC(=O)c1ccco1 ZINC000262685680 173096371 /nfs/dbraw/zinc/09/63/71/173096371.db2.gz YHFDEHKCGUOSCK-UHFFFAOYSA-N 1 0 236.275 -0.100 20 30 BBEDRO Cn1cnc(CNC(=[NH2+])N2CCSCC2)n1 ZINC000262685698 135313470 /nfs/dbraw/zinc/31/34/70/135313470.db2.gz YICKKWOOWBYONE-UHFFFAOYSA-N 1 0 240.336 -0.321 20 30 BBEDRO CN1CC[NH+]=C1NCC1(CO)CCOCC1 ZINC000262685728 135313602 /nfs/dbraw/zinc/31/36/02/135313602.db2.gz YJSUTEGKPFQKHZ-UHFFFAOYSA-N 1 0 227.308 -0.334 20 30 BBEDRO CN1CC[NH+]=C1NCC(=O)NCC(F)F ZINC000262689567 135314235 /nfs/dbraw/zinc/31/42/35/135314235.db2.gz ZTWXPXQHHLJHLK-UHFFFAOYSA-N 1 0 220.223 -0.741 20 30 BBEDRO C[NH+]=C(NCCn1cncn1)N[C@H]1C[C@H]1C ZINC000262695061 136281262 /nfs/dbraw/zinc/28/12/62/136281262.db2.gz DIQHKDRCSXQHEQ-BDAKNGLRSA-N 1 0 222.296 -0.149 20 30 BBEDRO C[NH+]=C(NCCn1cncn1)N[C@@H]1C[C@@H]1C ZINC000262695062 385874765 /nfs/dbraw/zinc/87/47/65/385874765.db2.gz DIQHKDRCSXQHEQ-DTWKUNHWSA-N 1 0 222.296 -0.149 20 30 BBEDRO C[NH+]=C(NCCn1cncn1)N[C@H]1C[C@@H]1C ZINC000262695063 136281281 /nfs/dbraw/zinc/28/12/81/136281281.db2.gz DIQHKDRCSXQHEQ-IUCAKERBSA-N 1 0 222.296 -0.149 20 30 BBEDRO C[NH+]=C(NCCn1cncn1)N[C@@H]1C[C@H]1C ZINC000262695065 219879840 /nfs/dbraw/zinc/87/98/40/219879840.db2.gz DIQHKDRCSXQHEQ-RKDXNWHRSA-N 1 0 222.296 -0.149 20 30 BBEDRO COCCNC(=[NH2+])NCc1snnc1C ZINC000262696077 536853695 /nfs/dbraw/zinc/85/36/95/536853695.db2.gz HZFIOVVUXAJYLT-UHFFFAOYSA-N 1 0 229.309 -0.103 20 30 BBEDRO Cc1nc(CNC(=[NH2+])NC[C@H]2CCCO2)no1 ZINC000262702023 135314591 /nfs/dbraw/zinc/31/45/91/135314591.db2.gz ZGDISONAQOZGKQ-MRVPVSSYSA-N 1 0 239.279 -0.039 20 30 BBEDRO Cc1nc(CNC(=[NH2+])NC[C@@H]2CCCO2)no1 ZINC000262702026 135314992 /nfs/dbraw/zinc/31/49/92/135314992.db2.gz ZGDISONAQOZGKQ-QMMMGPOBSA-N 1 0 239.279 -0.039 20 30 BBEDRO C[NH+]=C(NCC1CC1)NC[C@H]1COCCO1 ZINC000262702512 135314877 /nfs/dbraw/zinc/31/48/77/135314877.db2.gz AYEMKLMOSGBEIJ-JTQLQIEISA-N 1 0 227.308 -0.023 20 30 BBEDRO C[NH+]=C(NCC1CC1)NC[C@@H]1COCCO1 ZINC000262702513 135314482 /nfs/dbraw/zinc/31/44/82/135314482.db2.gz AYEMKLMOSGBEIJ-SNVBAGLBSA-N 1 0 227.308 -0.023 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@]1(O)CCO[C@H]1C ZINC000262702559 135314923 /nfs/dbraw/zinc/31/49/23/135314923.db2.gz AZMPZUZUTJJZAO-ATZCPNFKSA-N 1 0 245.323 -0.535 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@]1(O)CCO[C@@H]1C ZINC000262702560 135314972 /nfs/dbraw/zinc/31/49/72/135314972.db2.gz AZMPZUZUTJJZAO-IQJOONFLSA-N 1 0 245.323 -0.535 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CCO[C@@H]1C ZINC000262702561 135314816 /nfs/dbraw/zinc/31/48/16/135314816.db2.gz AZMPZUZUTJJZAO-NGZCFLSTSA-N 1 0 245.323 -0.535 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000262702562 135315107 /nfs/dbraw/zinc/31/51/07/135315107.db2.gz AZMPZUZUTJJZAO-QXEWZRGKSA-N 1 0 245.323 -0.535 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H]1CN(C2CC2)CCO1 ZINC000262715230 135315509 /nfs/dbraw/zinc/31/55/09/135315509.db2.gz RMYDLDOIWWTEJU-LLVKDONJSA-N 1 0 238.335 -0.060 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H]1CN(C2CC2)CCO1 ZINC000262715231 135316020 /nfs/dbraw/zinc/31/60/20/135316020.db2.gz RMYDLDOIWWTEJU-NSHDSACASA-N 1 0 238.335 -0.060 20 30 BBEDRO Cc1nnsc1CNC(=[NH2+])N1CCOCC1 ZINC000262715940 135121690 /nfs/dbraw/zinc/12/16/90/135121690.db2.gz RTBRORYWGPKWPG-UHFFFAOYSA-N 1 0 241.320 -0.007 20 30 BBEDRO C=CCNC(=[NH2+])NCC1(N2CCOCC2)CC1 ZINC000262724313 534844954 /nfs/dbraw/zinc/84/49/54/534844954.db2.gz GPSSTDFLNHKCOT-UHFFFAOYSA-N 1 0 238.335 -0.059 20 30 BBEDRO NC(=O)c1ccc(CNC(=[NH2+])NC2CC2)cn1 ZINC000262725945 135315180 /nfs/dbraw/zinc/31/51/80/135315180.db2.gz AFIJDEZYFGZEHZ-UHFFFAOYSA-N 1 0 233.275 -0.253 20 30 BBEDRO Cn1nnc(CNC(=[NH2+])N2CCCCCC2)n1 ZINC000262748465 135316388 /nfs/dbraw/zinc/31/63/88/135316388.db2.gz AYXHYUQZYRNSHV-UHFFFAOYSA-N 1 0 237.311 -0.099 20 30 BBEDRO C=CCNC(=[NH2+])NCCN1CCCOCC1 ZINC000262749632 534844979 /nfs/dbraw/zinc/84/49/79/534844979.db2.gz BMAIZCADHLEAPM-UHFFFAOYSA-N 1 0 226.324 -0.201 20 30 BBEDRO CN(C(=[NH2+])NCc1nnn(C)n1)C1CC1 ZINC000262753015 135316581 /nfs/dbraw/zinc/31/65/81/135316581.db2.gz CLJBPHOHQYRRFU-UHFFFAOYSA-N 1 0 209.257 -0.881 20 30 BBEDRO C#CCNC(NCCN1CCSCC1)=[NH+]C ZINC000262753997 533143125 /nfs/dbraw/zinc/14/31/25/533143125.db2.gz ALUCSVGBKODOCS-UHFFFAOYSA-N 1 0 240.376 -0.167 20 30 BBEDRO C[NH+]=C(NCc1nnn(C)n1)NCc1ccco1 ZINC000262754175 135317205 /nfs/dbraw/zinc/31/72/05/135317205.db2.gz CSKCLEDOAINEKD-UHFFFAOYSA-N 1 0 249.278 -0.332 20 30 BBEDRO C=CCNC(=[NH2+])NCC1([S@](C)=O)CC1 ZINC000262755681 534844631 /nfs/dbraw/zinc/84/46/31/534844631.db2.gz BBRWLYLJMANCEN-AWEZNQCLSA-N 1 0 215.322 -0.012 20 30 BBEDRO C=CCNC(=[NH2+])NCC1([S@@](C)=O)CC1 ZINC000262755682 534844589 /nfs/dbraw/zinc/84/45/89/534844589.db2.gz BBRWLYLJMANCEN-CQSZACIVSA-N 1 0 215.322 -0.012 20 30 BBEDRO CCN(CC)C(=[NH2+])NCc1nnn(C)n1 ZINC000262757205 535390124 /nfs/dbraw/zinc/39/01/24/535390124.db2.gz DWIIKSCOEFTQTI-UHFFFAOYSA-N 1 0 211.273 -0.633 20 30 BBEDRO C#CCNC(NC[C@H]1CCC[C@H]1O)=[NH+]C ZINC000262758441 533140899 /nfs/dbraw/zinc/14/08/99/533140899.db2.gz CGHNZLUOWRGNJH-NXEZZACHSA-N 1 0 209.293 -0.054 20 30 BBEDRO C#CCNC(NC[C@@H]1CCC[C@@H]1O)=[NH+]C ZINC000262758444 533141472 /nfs/dbraw/zinc/14/14/72/533141472.db2.gz CGHNZLUOWRGNJH-UWVGGRQHSA-N 1 0 209.293 -0.054 20 30 BBEDRO C#CCNC(NC[C@@H]1CCC[C@H]1O)=[NH+]C ZINC000262758446 533140956 /nfs/dbraw/zinc/14/09/56/533140956.db2.gz CGHNZLUOWRGNJH-VHSXEESVSA-N 1 0 209.293 -0.054 20 30 BBEDRO C#CCNC(NC[C@H]1CCC[C@@H]1O)=[NH+]C ZINC000262758449 533140757 /nfs/dbraw/zinc/14/07/57/533140757.db2.gz CGHNZLUOWRGNJH-ZJUUUORDSA-N 1 0 209.293 -0.054 20 30 BBEDRO C[S@](=O)C1(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000262758614 135317003 /nfs/dbraw/zinc/31/70/03/135317003.db2.gz CNSKNLWTRFLQEI-INIZCTEOSA-N 1 0 245.348 -0.456 20 30 BBEDRO C[S@@](=O)C1(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000262758615 135317018 /nfs/dbraw/zinc/31/70/18/135317018.db2.gz CNSKNLWTRFLQEI-MRXNPFEDSA-N 1 0 245.348 -0.456 20 30 BBEDRO C[NH+]=C(NCCO)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262760130 533478771 /nfs/dbraw/zinc/47/87/71/533478771.db2.gz CUVBDALYYHIMMC-AEJSXWLSSA-N 1 0 241.335 -0.043 20 30 BBEDRO C[NH+]=C(NCCO)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262760134 533478127 /nfs/dbraw/zinc/47/81/27/533478127.db2.gz CUVBDALYYHIMMC-IVZWLZJFSA-N 1 0 241.335 -0.043 20 30 BBEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2nnn(C)n2)C1 ZINC000262763257 135317212 /nfs/dbraw/zinc/31/72/12/135317212.db2.gz GOLKUAHXAOTPCV-MRVPVSSYSA-N 1 0 237.311 -0.243 20 30 BBEDRO C[C@H]1CCCN(C(=[NH2+])NCc2nnn(C)n2)C1 ZINC000262763258 135317663 /nfs/dbraw/zinc/31/76/63/135317663.db2.gz GOLKUAHXAOTPCV-QMMMGPOBSA-N 1 0 237.311 -0.243 20 30 BBEDRO Cn1nnc(CNC(=[NH2+])NCC2CCC2)n1 ZINC000262765444 135317146 /nfs/dbraw/zinc/31/71/46/135317146.db2.gz HDCIYBULUQRPHH-UHFFFAOYSA-N 1 0 223.284 -0.586 20 30 BBEDRO CNC(NCC1([S@@](C)=O)CC1)=[NH+]C ZINC000262775452 135317897 /nfs/dbraw/zinc/31/78/97/135317897.db2.gz JDSBALOVOZBYLE-CYBMUJFWSA-N 1 0 203.311 -0.308 20 30 BBEDRO CNC(NCC1([S@](C)=O)CC1)=[NH+]C ZINC000262775455 135317932 /nfs/dbraw/zinc/31/79/32/135317932.db2.gz JDSBALOVOZBYLE-ZDUSSCGKSA-N 1 0 203.311 -0.308 20 30 BBEDRO CNC(=[NH2+])NCc1ccc(C)n(C)c1=O ZINC000262776407 135318511 /nfs/dbraw/zinc/31/85/11/135318511.db2.gz JZXYYJXFZBNTPE-UHFFFAOYSA-N 1 0 208.265 -0.272 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCc1nnn(C)n1 ZINC000262783238 135317970 /nfs/dbraw/zinc/31/79/70/135317970.db2.gz LQZGOWCTGXDINT-UHFFFAOYSA-N 1 0 209.257 -0.810 20 30 BBEDRO C#CCNC(NCc1cnc(N(C)C)n1C)=[NH+]C ZINC000262791789 533141166 /nfs/dbraw/zinc/14/11/66/533141166.db2.gz OERFYXLNRGZGJG-UHFFFAOYSA-N 1 0 248.334 -0.216 20 30 BBEDRO NC(=[NH2+])NCCNS(=O)(=O)c1cccs1 ZINC000262792816 135122653 /nfs/dbraw/zinc/12/26/53/135122653.db2.gz OMSGJNMUJMHCDV-UHFFFAOYSA-N 1 0 248.333 -0.700 20 30 BBEDRO C[NH+]=C(NCC1(O)CCC1)N1CCC(O)CC1 ZINC000262796747 135319209 /nfs/dbraw/zinc/31/92/09/135319209.db2.gz PWGRIZGZIQDRCM-UHFFFAOYSA-N 1 0 241.335 -0.067 20 30 BBEDRO [NH2+]=C(NCCN1CCCOCC1)NC1CC1 ZINC000262797537 135319299 /nfs/dbraw/zinc/31/92/99/135319299.db2.gz PUUUWLSDQUVNPK-UHFFFAOYSA-N 1 0 226.324 -0.225 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCc1nnn(C)n1 ZINC000262797665 135122729 /nfs/dbraw/zinc/12/27/29/135122729.db2.gz PXEQFLVLLAZVRT-LURJTMIESA-N 1 0 211.273 -0.587 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCc1nnn(C)n1 ZINC000262797666 135319135 /nfs/dbraw/zinc/31/91/35/135319135.db2.gz PXEQFLVLLAZVRT-ZCFIWIBFSA-N 1 0 211.273 -0.587 20 30 BBEDRO [NH2+]=C(NCC1(N2CCOCC2)CC1)NC1CC1 ZINC000262799061 135319062 /nfs/dbraw/zinc/31/90/62/135319062.db2.gz NTXORJSJKVSWMV-UHFFFAOYSA-N 1 0 238.335 -0.082 20 30 BBEDRO C[S@](=O)C1(CNC(=[NH2+])NC2CC2)CC1 ZINC000262801125 135319345 /nfs/dbraw/zinc/31/93/45/135319345.db2.gz RIHYHWOEHHLIFZ-AWEZNQCLSA-N 1 0 215.322 -0.036 20 30 BBEDRO C[S@@](=O)C1(CNC(=[NH2+])NC2CC2)CC1 ZINC000262801126 135319107 /nfs/dbraw/zinc/31/91/07/135319107.db2.gz RIHYHWOEHHLIFZ-CQSZACIVSA-N 1 0 215.322 -0.036 20 30 BBEDRO C#CCNC(NCCc1noc(CC)n1)=[NH+]C ZINC000262806513 533141041 /nfs/dbraw/zinc/14/10/41/533141041.db2.gz SXFGVNZDRPGKSX-UHFFFAOYSA-N 1 0 235.291 -0.027 20 30 BBEDRO Cn1nnc(CNC(=[NH2+])NC2CCCCC2)n1 ZINC000262807069 135319073 /nfs/dbraw/zinc/31/90/73/135319073.db2.gz SPDBBCOOBYSOMI-UHFFFAOYSA-N 1 0 237.311 -0.053 20 30 BBEDRO Cn1nnc(CNC(=[NH2+])NC2CCCC2)n1 ZINC000262808097 135319059 /nfs/dbraw/zinc/31/90/59/135319059.db2.gz SWYDKXYAVXQJCN-UHFFFAOYSA-N 1 0 223.284 -0.443 20 30 BBEDRO CNC(NCc1ccc(C)n(C)c1=O)=[NH+]C ZINC000262809227 135319221 /nfs/dbraw/zinc/31/92/21/135319221.db2.gz TVQAGRLLRZZIII-UHFFFAOYSA-N 1 0 222.292 -0.011 20 30 BBEDRO [NH2+]=C(NCCN1CCC1)NC[C@@H]1CCCO1 ZINC000262809553 135319040 /nfs/dbraw/zinc/31/90/40/135319040.db2.gz UTAYBSBVKQUFDD-JTQLQIEISA-N 1 0 226.324 -0.225 20 30 BBEDRO [NH2+]=C(NCCN1CCC1)NC[C@H]1CCCO1 ZINC000262809555 135318987 /nfs/dbraw/zinc/31/89/87/135318987.db2.gz UTAYBSBVKQUFDD-SNVBAGLBSA-N 1 0 226.324 -0.225 20 30 BBEDRO Cn1nnc(CNC(=[NH2+])NC(C)(C)C)n1 ZINC000262815277 135320301 /nfs/dbraw/zinc/32/03/01/135320301.db2.gz VOCATIDQEMOMGE-UHFFFAOYSA-N 1 0 211.273 -0.587 20 30 BBEDRO CN(C)C(=[NH+]C[C@@H]1C[NH+]2CCN1CC2)N(C)C ZINC000262818380 135319587 /nfs/dbraw/zinc/31/95/87/135319587.db2.gz WEGTZAPGAGZHIG-LLVKDONJSA-N 1 0 239.367 -0.535 20 30 BBEDRO CN(C)C(=[NH+]C[C@H]1C[NH+]2CCN1CC2)N(C)C ZINC000262818382 135320243 /nfs/dbraw/zinc/32/02/43/135320243.db2.gz WEGTZAPGAGZHIG-NSHDSACASA-N 1 0 239.367 -0.535 20 30 BBEDRO CC(C)CNC(=[NH2+])NCc1nnn(C)n1 ZINC000262818465 535064187 /nfs/dbraw/zinc/06/41/87/535064187.db2.gz WHNSPAGNRYOREF-UHFFFAOYSA-N 1 0 211.273 -0.730 20 30 BBEDRO [NH2+]=C(NCC1(CO)CCOCC1)NC1CC1 ZINC000262840613 135320688 /nfs/dbraw/zinc/32/06/88/135320688.db2.gz UIPHNJZOTWMUIW-UHFFFAOYSA-N 1 0 227.308 -0.158 20 30 BBEDRO C[C@@H](O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262844294 135320858 /nfs/dbraw/zinc/32/08/58/135320858.db2.gz VFJHKBHAKZOVHF-HTQZYQBOSA-N 1 0 201.270 -0.597 20 30 BBEDRO C[C@@H](O)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262844295 135321054 /nfs/dbraw/zinc/32/10/54/135321054.db2.gz VFJHKBHAKZOVHF-SFYZADRCSA-N 1 0 201.270 -0.597 20 30 BBEDRO C#CCNC(N[C@@H]1CCN(CCOC)C1)=[NH+]C ZINC000262846065 533141313 /nfs/dbraw/zinc/14/13/13/533141313.db2.gz YNRLEKCCDPRFID-LLVKDONJSA-N 1 0 238.335 -0.495 20 30 BBEDRO C#CCNC(N[C@H]1CCN(CCOC)C1)=[NH+]C ZINC000262846067 533141428 /nfs/dbraw/zinc/14/14/28/533141428.db2.gz YNRLEKCCDPRFID-NSHDSACASA-N 1 0 238.335 -0.495 20 30 BBEDRO C=CCNC(=[NH2+])NCC1(CO)CCOCC1 ZINC000262855792 534844745 /nfs/dbraw/zinc/84/47/45/534844745.db2.gz XYMCTUZDIRRECT-UHFFFAOYSA-N 1 0 227.308 -0.134 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@]1(O)CCO[C@@H]1C ZINC000262856710 135122600 /nfs/dbraw/zinc/12/26/00/135122600.db2.gz SXADKAUXKMWRDG-PSASIEDQSA-N 1 0 213.281 -0.383 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@]1(O)CCO[C@@H]1C ZINC000262856713 135122864 /nfs/dbraw/zinc/12/28/64/135122864.db2.gz SXADKAUXKMWRDG-SCZZXKLOSA-N 1 0 213.281 -0.383 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@]1(O)CCO[C@H]1C ZINC000262856715 135122599 /nfs/dbraw/zinc/12/25/99/135122599.db2.gz SXADKAUXKMWRDG-WCBMZHEXSA-N 1 0 213.281 -0.383 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000262856717 135122626 /nfs/dbraw/zinc/12/26/26/135122626.db2.gz SXADKAUXKMWRDG-WPRPVWTQSA-N 1 0 213.281 -0.383 20 30 BBEDRO [NH2+]=C(NCc1cccnn1)N1CCOCC1 ZINC000262869261 135322530 /nfs/dbraw/zinc/32/25/30/135322530.db2.gz CQRUZELPFONGNY-UHFFFAOYSA-N 1 0 221.264 -0.377 20 30 BBEDRO C[C@@H]1OCC[C@@]1(O)CNC(=[NH2+])N1CCOCC1 ZINC000262901948 135323105 /nfs/dbraw/zinc/32/31/05/135323105.db2.gz XTOXVJKEAYZOHO-GXSJLCMTSA-N 1 0 243.307 -0.827 20 30 BBEDRO C[C@H]1OCC[C@]1(O)CNC(=[NH2+])N1CCOCC1 ZINC000262901951 135323358 /nfs/dbraw/zinc/32/33/58/135323358.db2.gz XTOXVJKEAYZOHO-KOLCDFICSA-N 1 0 243.307 -0.827 20 30 BBEDRO C[C@H]1OCC[C@@]1(O)CNC(=[NH2+])N1CCOCC1 ZINC000262901953 135323392 /nfs/dbraw/zinc/32/33/92/135323392.db2.gz XTOXVJKEAYZOHO-MWLCHTKSSA-N 1 0 243.307 -0.827 20 30 BBEDRO C[C@@H]1OCC[C@]1(O)CNC(=[NH2+])N1CCOCC1 ZINC000262901957 135323099 /nfs/dbraw/zinc/32/30/99/135323099.db2.gz XTOXVJKEAYZOHO-ONGXEEELSA-N 1 0 243.307 -0.827 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccn(C)n1 ZINC000262902781 636561237 /nfs/dbraw/zinc/56/12/37/636561237.db2.gz DTBXTZBZKPHBNL-MRVPVSSYSA-N 1 0 225.296 -0.141 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCc1ccn(C)n1 ZINC000262902787 642352986 /nfs/dbraw/zinc/35/29/86/642352986.db2.gz DTBXTZBZKPHBNL-QMMMGPOBSA-N 1 0 225.296 -0.141 20 30 BBEDRO Cn1ccc(CNC(=[NH2+])N2CCOCC2)n1 ZINC000262914352 135322932 /nfs/dbraw/zinc/32/29/32/135322932.db2.gz GCKRVOVPEPFTGB-UHFFFAOYSA-N 1 0 223.280 -0.433 20 30 BBEDRO COCCNC(=[NH2+])NC[C@]1(O)CCO[C@@H]1C ZINC000262923486 135324045 /nfs/dbraw/zinc/32/40/45/135324045.db2.gz ZOIDBECNLLBAEV-PSASIEDQSA-N 1 0 231.296 -0.923 20 30 BBEDRO COCCNC(=[NH2+])NC[C@@]1(O)CCO[C@@H]1C ZINC000262923487 135324188 /nfs/dbraw/zinc/32/41/88/135324188.db2.gz ZOIDBECNLLBAEV-SCZZXKLOSA-N 1 0 231.296 -0.923 20 30 BBEDRO COCCNC(=[NH2+])NC[C@]1(O)CCO[C@H]1C ZINC000262923489 135324096 /nfs/dbraw/zinc/32/40/96/135324096.db2.gz ZOIDBECNLLBAEV-WCBMZHEXSA-N 1 0 231.296 -0.923 20 30 BBEDRO COCCNC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000262923491 135324112 /nfs/dbraw/zinc/32/41/12/135324112.db2.gz ZOIDBECNLLBAEV-WPRPVWTQSA-N 1 0 231.296 -0.923 20 30 BBEDRO CNC(=O)CNC(NCc1ccccn1)=[NH+]C ZINC000262944203 135324659 /nfs/dbraw/zinc/32/46/59/135324659.db2.gz AMOBSMISUHJCDR-UHFFFAOYSA-N 1 0 235.291 -0.507 20 30 BBEDRO C=CCn1cc(CNC2=[NH+]C[C@@H](C)N2)nn1 ZINC000263007527 534453020 /nfs/dbraw/zinc/45/30/20/534453020.db2.gz AWWBLGUCEOUEBO-MRVPVSSYSA-N 1 0 220.280 -0.099 20 30 BBEDRO C=CCn1cc(CNC2=[NH+]C[C@H](C)N2)nn1 ZINC000263007529 534452666 /nfs/dbraw/zinc/45/26/66/534452666.db2.gz AWWBLGUCEOUEBO-QMMMGPOBSA-N 1 0 220.280 -0.099 20 30 BBEDRO C=CCn1cc(CNC(NC)=[NH+]C)nn1 ZINC000263011905 534453405 /nfs/dbraw/zinc/45/34/05/534453405.db2.gz CBBUACSABAFPAN-UHFFFAOYSA-N 1 0 208.269 -0.241 20 30 BBEDRO C=CCn1cc(CNC2=[NH+]CCN2C)nn1 ZINC000263013986 534452027 /nfs/dbraw/zinc/45/20/27/534452027.db2.gz CPFFMZBKPXOSLB-UHFFFAOYSA-N 1 0 220.280 -0.145 20 30 BBEDRO CN1CCC[NH+]=C1NCc1nnnn1CC1CC1 ZINC000263026402 135327163 /nfs/dbraw/zinc/32/71/63/135327163.db2.gz ARPXUFTVJYDJGF-UHFFFAOYSA-N 1 0 249.322 -0.136 20 30 BBEDRO CN1CC[NH+]=C1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000263034959 135328000 /nfs/dbraw/zinc/32/80/00/135328000.db2.gz BQWGGBPDTZDDQZ-PHIMTYICSA-N 1 0 238.335 -0.259 20 30 BBEDRO CCn1nc(C)c(CNC(NC)=[NH+]C)n1 ZINC000263035459 135328324 /nfs/dbraw/zinc/32/83/24/135328324.db2.gz HVVUMJWXHUOJJD-UHFFFAOYSA-N 1 0 210.285 -0.099 20 30 BBEDRO [NH2+]=C(NCCN1C[C@H]2CC[C@@H](C1)O2)N1CCC1 ZINC000263058246 135329735 /nfs/dbraw/zinc/32/97/35/135329735.db2.gz FFEOALYWRDTFTI-PHIMTYICSA-N 1 0 238.335 -0.130 20 30 BBEDRO [NH2+]=C(N[C@H]1C[C@@H](O)C1)N1CCSCC1 ZINC000263089312 135331991 /nfs/dbraw/zinc/33/19/91/135331991.db2.gz IRTCCTXMGGUKDL-OCAPTIKFSA-N 1 0 215.322 -0.127 20 30 BBEDRO CCn1nc(C)c(CNC(=[NH2+])N(C)C)n1 ZINC000263094381 135332267 /nfs/dbraw/zinc/33/22/67/135332267.db2.gz UZOHPRVGZXXAAV-UHFFFAOYSA-N 1 0 210.285 -0.017 20 30 BBEDRO CN1CCC[NH+]=C1NCCN1CCCOCC1 ZINC000263104111 536361240 /nfs/dbraw/zinc/36/12/40/536361240.db2.gz KIWWOGWXKLUHFZ-UHFFFAOYSA-N 1 0 240.351 -0.010 20 30 BBEDRO [NH2+]=C(NCCc1cnccn1)N1CCOCC1 ZINC000263115923 135334412 /nfs/dbraw/zinc/33/44/12/135334412.db2.gz CAYLZMDHRFYIPW-UHFFFAOYSA-N 1 0 235.291 -0.334 20 30 BBEDRO C=CCn1cc(CNC(=[NH2+])N(C)C)nn1 ZINC000263117153 534452752 /nfs/dbraw/zinc/45/27/52/534452752.db2.gz ZWUONXZHQJAHIN-UHFFFAOYSA-N 1 0 208.269 -0.160 20 30 BBEDRO CCOC(=O)COCCNC1=[NH+]CCCN1C ZINC000263120493 535686521 /nfs/dbraw/zinc/68/65/21/535686521.db2.gz LYKFTMKHUWWGCV-UHFFFAOYSA-N 1 0 243.307 -0.153 20 30 BBEDRO C[NH+]=C(NCC(=O)N1CCOCC1)NC1CC1 ZINC000263126714 135335011 /nfs/dbraw/zinc/33/50/11/135335011.db2.gz FTDKPNAYSSBCRT-UHFFFAOYSA-N 1 0 240.307 -0.827 20 30 BBEDRO CN(C(=[NH2+])NCc1cnn(C)n1)C1CC1 ZINC000263140109 135334892 /nfs/dbraw/zinc/33/48/92/135334892.db2.gz JKRRVFOUKAFHAT-UHFFFAOYSA-N 1 0 208.269 -0.276 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])NCc2cnn(C)n2)CCO1 ZINC000263141269 135125447 /nfs/dbraw/zinc/12/54/47/135125447.db2.gz JOSMGUJGMCVJKZ-MRVPVSSYSA-N 1 0 238.295 -0.650 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])NCc2cnn(C)n2)CCO1 ZINC000263141273 135335513 /nfs/dbraw/zinc/33/55/13/135335513.db2.gz JOSMGUJGMCVJKZ-QMMMGPOBSA-N 1 0 238.295 -0.650 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCc1cnn(C)n1 ZINC000263143148 536520700 /nfs/dbraw/zinc/52/07/00/536520700.db2.gz KAOGKZOBPIRSEQ-SSDOTTSWSA-N 1 0 226.284 -0.746 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCc1cnn(C)n1 ZINC000263143151 135335451 /nfs/dbraw/zinc/33/54/51/135335451.db2.gz KAOGKZOBPIRSEQ-ZETCQYMHSA-N 1 0 226.284 -0.746 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000263145939 536089684 /nfs/dbraw/zinc/08/96/84/536089684.db2.gz KNKINYNLASWAQD-BDAKNGLRSA-N 1 0 242.323 -0.502 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000263145940 135335374 /nfs/dbraw/zinc/33/53/74/135335374.db2.gz KNKINYNLASWAQD-DTWKUNHWSA-N 1 0 242.323 -0.502 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000263145941 135335365 /nfs/dbraw/zinc/33/53/65/135335365.db2.gz KNKINYNLASWAQD-IUCAKERBSA-N 1 0 242.323 -0.502 20 30 BBEDRO CN(C)C(=[NH2+])NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000263145942 135335767 /nfs/dbraw/zinc/33/57/67/135335767.db2.gz KNKINYNLASWAQD-RKDXNWHRSA-N 1 0 242.323 -0.502 20 30 BBEDRO C[NH+]=C(NCc1cnn(C)n1)NC1CC1 ZINC000263146063 536304734 /nfs/dbraw/zinc/30/47/34/536304734.db2.gz KUNLLXBDKIHIJA-UHFFFAOYSA-N 1 0 208.269 -0.358 20 30 BBEDRO CCN(CC)C(=[NH2+])NCC(=O)N1CCOCC1 ZINC000263163165 535388616 /nfs/dbraw/zinc/38/86/16/535388616.db2.gz PEIVRIBPULMUFT-UHFFFAOYSA-N 1 0 242.323 -0.498 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCc1cnn(C)n1 ZINC000263163299 135336517 /nfs/dbraw/zinc/33/65/17/135336517.db2.gz PJZBCGOQGMONLU-UHFFFAOYSA-N 1 0 208.269 -0.205 20 30 BBEDRO CN(C)C(=[NH+]CC(=O)N1CCOCC1)N(C)C ZINC000263169825 135337345 /nfs/dbraw/zinc/33/73/45/135337345.db2.gz RHSYFKSVJDTBKI-UHFFFAOYSA-N 1 0 242.323 -0.676 20 30 BBEDRO Cn1ncc(CNC(=[NH2+])N2CCSCC2)n1 ZINC000263170763 135337339 /nfs/dbraw/zinc/33/73/39/135337339.db2.gz RLBIOJYADTZFHQ-UHFFFAOYSA-N 1 0 240.336 -0.321 20 30 BBEDRO CNC(NCc1ccnc(N(C)C)n1)=[NH+]C ZINC000263171784 135337210 /nfs/dbraw/zinc/33/72/10/135337210.db2.gz RRHRSOHDWNEELQ-UHFFFAOYSA-N 1 0 222.296 -0.163 20 30 BBEDRO CN(C)C(=[NH2+])NCc1ccnc(N(C)C)n1 ZINC000263172259 135337396 /nfs/dbraw/zinc/33/73/96/135337396.db2.gz RZFREAQXLYCBMX-UHFFFAOYSA-N 1 0 222.296 -0.081 20 30 BBEDRO CNC(=[NH2+])NCc1ccnc(N(C)C)n1 ZINC000263173230 536305294 /nfs/dbraw/zinc/30/52/94/536305294.db2.gz SFKAKLPGWMHWAV-UHFFFAOYSA-N 1 0 208.269 -0.423 20 30 BBEDRO CNC(=[NH2+])NCCS(=O)(=O)NCC1CCC1 ZINC000263174412 135336819 /nfs/dbraw/zinc/33/68/19/135336819.db2.gz SPYRQQIGFSYEOO-UHFFFAOYSA-N 1 0 248.352 -0.760 20 30 BBEDRO CNC(=[NH2+])N[C@@H]1CCN(CCOC)C1 ZINC000263176732 135125058 /nfs/dbraw/zinc/12/50/58/135125058.db2.gz UAXWMADWVZDJQC-MRVPVSSYSA-N 1 0 200.286 -0.759 20 30 BBEDRO CNC(=[NH2+])N[C@H]1CCN(CCOC)C1 ZINC000263176736 135338212 /nfs/dbraw/zinc/33/82/12/135338212.db2.gz UAXWMADWVZDJQC-QMMMGPOBSA-N 1 0 200.286 -0.759 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000263182437 135338215 /nfs/dbraw/zinc/33/82/15/135338215.db2.gz VPVBCSGTXCDJHT-SECBINFHSA-N 1 0 242.323 -0.452 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000263182442 536146280 /nfs/dbraw/zinc/14/62/80/536146280.db2.gz VPVBCSGTXCDJHT-VIFPVBQESA-N 1 0 242.323 -0.452 20 30 BBEDRO CN(C)C(=[NH+]Cc1cnn(C)n1)N(C)C ZINC000263184869 135337932 /nfs/dbraw/zinc/33/79/32/135337932.db2.gz WPKOMIRWKWZJQZ-UHFFFAOYSA-N 1 0 210.285 -0.206 20 30 BBEDRO Cn1ncc(CNC(=[NH2+])NC[C@H]2CCCO2)n1 ZINC000263188275 135338925 /nfs/dbraw/zinc/33/89/25/135338925.db2.gz XLKFNZBOSFFJAU-SECBINFHSA-N 1 0 238.295 -0.602 20 30 BBEDRO Cn1ncc(CNC(=[NH2+])NC[C@@H]2CCCO2)n1 ZINC000263188278 135338711 /nfs/dbraw/zinc/33/87/11/135338711.db2.gz XLKFNZBOSFFJAU-VIFPVBQESA-N 1 0 238.295 -0.602 20 30 BBEDRO CCN(CC)C(=[NH2+])NCc1cnn(C)n1 ZINC000263192174 535390073 /nfs/dbraw/zinc/39/00/73/535390073.db2.gz YRAWBSFFWPKRPY-UHFFFAOYSA-N 1 0 210.285 -0.028 20 30 BBEDRO C[C@@H]1CN(C(=[NH2+])N[C@H]2C[C@@H](O)C2)CCO1 ZINC000263199045 135338342 /nfs/dbraw/zinc/33/83/42/135338342.db2.gz WYKLIKWIRWJRJK-HLTSFMKQSA-N 1 0 213.281 -0.455 20 30 BBEDRO C[C@H]1CN(C(=[NH2+])N[C@H]2C[C@@H](O)C2)CCO1 ZINC000263199046 135338918 /nfs/dbraw/zinc/33/89/18/135338918.db2.gz WYKLIKWIRWJRJK-XHNCKOQMSA-N 1 0 213.281 -0.455 20 30 BBEDRO [NH2+]=C(NCC1(N2CCOCC2)CC1)N1CCC1 ZINC000263205440 135339448 /nfs/dbraw/zinc/33/94/48/135339448.db2.gz YAYFYHNVBVEOJO-UHFFFAOYSA-N 1 0 238.335 -0.128 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCN2C[C@H]3CC[C@@H](C2)O3)N1 ZINC000263209020 135339168 /nfs/dbraw/zinc/33/91/68/135339168.db2.gz YSCXEMSKLDKCSK-GARJFASQSA-N 1 0 238.335 -0.213 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCN2C[C@H]3CC[C@@H](C2)O3)N1 ZINC000263209022 135339393 /nfs/dbraw/zinc/33/93/93/135339393.db2.gz YSCXEMSKLDKCSK-MXWKQRLJSA-N 1 0 238.335 -0.213 20 30 BBEDRO C#CCNC(NCc1nnc2n1CCC2)=[NH+]C ZINC000263236131 533141614 /nfs/dbraw/zinc/14/16/14/533141614.db2.gz JRGAHVXZJYWSHD-UHFFFAOYSA-N 1 0 232.291 -0.478 20 30 BBEDRO CN(C)C(=O)CNC(NC1CC1)=[NH+]C1CC1 ZINC000263240365 135341502 /nfs/dbraw/zinc/34/15/02/135341502.db2.gz LACCIGCSZDMORU-UHFFFAOYSA-N 1 0 224.308 -0.065 20 30 BBEDRO C=CCNC(=[NH2+])NCC1(O)CCOCC1 ZINC000263240372 534845035 /nfs/dbraw/zinc/84/50/35/534845035.db2.gz LARRZANLSMHPOR-UHFFFAOYSA-N 1 0 213.281 -0.382 20 30 BBEDRO CNC(=O)CNC(NC1CCCC1)=[NH+]C ZINC000263246747 135342642 /nfs/dbraw/zinc/34/26/42/135342642.db2.gz NCUHHYSCXQGAFD-UHFFFAOYSA-N 1 0 212.297 -0.160 20 30 BBEDRO C=CCNC(=[NH2+])NCCN1CCOC[C@@H]1C ZINC000263251483 534844364 /nfs/dbraw/zinc/84/43/64/534844364.db2.gz OZEVYNJAGGZOAB-JTQLQIEISA-N 1 0 226.324 -0.203 20 30 BBEDRO C=CCNC(=[NH2+])NCCN1CCOC[C@H]1C ZINC000263251484 534844974 /nfs/dbraw/zinc/84/49/74/534844974.db2.gz OZEVYNJAGGZOAB-SNVBAGLBSA-N 1 0 226.324 -0.203 20 30 BBEDRO CN(C)C(=[NH2+])NCC(=O)NCc1ccco1 ZINC000263252115 135342399 /nfs/dbraw/zinc/34/23/99/135342399.db2.gz PGRRFOBAYRKBLO-UHFFFAOYSA-N 1 0 224.264 -0.228 20 30 BBEDRO C=CCNC(NC[C@@H]1COCCO1)=[NH+]C ZINC000263253061 135342428 /nfs/dbraw/zinc/34/24/28/135342428.db2.gz PQZSKSCQZAADIK-SECBINFHSA-N 1 0 213.281 -0.247 20 30 BBEDRO C=CCNC(NC[C@H]1COCCO1)=[NH+]C ZINC000263253063 135342691 /nfs/dbraw/zinc/34/26/91/135342691.db2.gz PQZSKSCQZAADIK-VIFPVBQESA-N 1 0 213.281 -0.247 20 30 BBEDRO C[NH+]=C(NC1CC1)N1CCN(C(C)=O)CC1 ZINC000263257318 135125805 /nfs/dbraw/zinc/12/58/05/135125805.db2.gz RCOJMMTUSULBQB-UHFFFAOYSA-N 1 0 224.308 -0.112 20 30 BBEDRO C#CCNC(NCc1nnc2n1CCC2)=[NH+]CC ZINC000263267728 533142211 /nfs/dbraw/zinc/14/22/11/533142211.db2.gz VSYGTUKHNBHTIR-UHFFFAOYSA-N 1 0 246.318 -0.087 20 30 BBEDRO CN(C)C(=[NH+]CCN1CCOCC1)N(C)C ZINC000263267826 135343601 /nfs/dbraw/zinc/34/36/01/135343601.db2.gz VXFZEKMDNBVYHR-UHFFFAOYSA-N 1 0 228.340 -0.202 20 30 BBEDRO C[C@@H]1COCCN1CCNC(=[NH2+])NC1CC1 ZINC000263270572 135343523 /nfs/dbraw/zinc/34/35/23/135343523.db2.gz WRPQENZTFBWIFC-SECBINFHSA-N 1 0 226.324 -0.226 20 30 BBEDRO C[C@H]1COCCN1CCNC(=[NH2+])NC1CC1 ZINC000263270574 135343776 /nfs/dbraw/zinc/34/37/76/135343776.db2.gz WRPQENZTFBWIFC-VIFPVBQESA-N 1 0 226.324 -0.226 20 30 BBEDRO COCCNC(=[NH2+])N1CCSCC1 ZINC000263276682 536799568 /nfs/dbraw/zinc/79/95/68/536799568.db2.gz YQIHRNAOBMVRFV-UHFFFAOYSA-N 1 0 203.311 -0.004 20 30 BBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1ccccn1 ZINC000263276700 135125794 /nfs/dbraw/zinc/12/57/94/135125794.db2.gz YRCKCCJRUKUJAH-UHFFFAOYSA-N 1 0 249.318 -0.165 20 30 BBEDRO C=CCNC(NC[C@H]1CN(C)CCO1)=[NH+]C ZINC000263278568 135126058 /nfs/dbraw/zinc/12/60/58/135126058.db2.gz ZHAIEYFTDHBLKJ-JTQLQIEISA-N 1 0 226.324 -0.332 20 30 BBEDRO C=CCNC(NC[C@@H]1CN(C)CCO1)=[NH+]C ZINC000263278575 135126091 /nfs/dbraw/zinc/12/60/91/135126091.db2.gz ZHAIEYFTDHBLKJ-SNVBAGLBSA-N 1 0 226.324 -0.332 20 30 BBEDRO CNC(=[NH2+])NCCNC(=O)c1ccco1 ZINC000264056188 135130299 /nfs/dbraw/zinc/13/02/99/135130299.db2.gz AWDPTBBEIPJARB-UHFFFAOYSA-N 1 0 210.237 -0.457 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCCC(=O)NC ZINC000264069114 135130989 /nfs/dbraw/zinc/13/09/89/135130989.db2.gz CPUZDUBLYTZMSM-UHFFFAOYSA-N 1 0 212.297 -0.007 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCS(C)(=O)=O ZINC000264070905 135131365 /nfs/dbraw/zinc/13/13/65/135131365.db2.gz DCEZLYWZZBQGBR-UHFFFAOYSA-N 1 0 219.310 -0.489 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCNS(C)(=O)=O ZINC000264074041 135131660 /nfs/dbraw/zinc/13/16/60/135131660.db2.gz GVIOZJPDGUUXDL-UHFFFAOYSA-N 1 0 234.325 -0.984 20 30 BBEDRO COc1ccc(CNC(=O)CNC(N)=[NH2+])cc1 ZINC000264074523 135131940 /nfs/dbraw/zinc/13/19/40/135131940.db2.gz FFZKHWMSEXBJDP-UHFFFAOYSA-N 1 0 236.275 -0.415 20 30 BBEDRO COCCNC(=[NH2+])NCCn1ccnc1 ZINC000264075150 135131937 /nfs/dbraw/zinc/13/19/37/135131937.db2.gz HBBLZHBLHZETTR-UHFFFAOYSA-N 1 0 211.269 -0.566 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(=O)NC1CC1 ZINC000264076457 135131959 /nfs/dbraw/zinc/13/19/59/135131959.db2.gz HISBZJDNUAFLCG-UHFFFAOYSA-N 1 0 210.281 -0.255 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCc1cnn(C)c1 ZINC000264078033 536520087 /nfs/dbraw/zinc/52/00/87/536520087.db2.gz GITSNJOKQKEOQR-MRVPVSSYSA-N 1 0 225.296 -0.141 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCc1cnn(C)c1 ZINC000264078036 135131983 /nfs/dbraw/zinc/13/19/83/135131983.db2.gz GITSNJOKQKEOQR-QMMMGPOBSA-N 1 0 225.296 -0.141 20 30 BBEDRO C=CCNC(=[NH2+])NCCN(C)CCOC ZINC000264078851 135131789 /nfs/dbraw/zinc/13/17/89/135131789.db2.gz GRZOYJOUTQWNJI-UHFFFAOYSA-N 1 0 214.313 -0.345 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H](O)C(F)(F)F ZINC000264080728 135131749 /nfs/dbraw/zinc/13/17/49/135131749.db2.gz IJKMROLZFUMKHE-RXMQYKEDSA-N 1 0 211.187 0.000 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H](O)C(F)(F)F ZINC000264080730 534843519 /nfs/dbraw/zinc/84/35/19/534843519.db2.gz IJKMROLZFUMKHE-YFKPBYRVSA-N 1 0 211.187 0.000 20 30 BBEDRO CNC(NCCNC(=O)c1ccco1)=[NH+]C ZINC000264080763 135131946 /nfs/dbraw/zinc/13/19/46/135131946.db2.gz IKEARTMGQULTCH-UHFFFAOYSA-N 1 0 224.264 -0.196 20 30 BBEDRO CNC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000264081593 135131802 /nfs/dbraw/zinc/13/18/02/135131802.db2.gz IOUODKXFDZWUHT-UHFFFAOYSA-N 1 0 220.276 -0.050 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(=O)NCCC ZINC000264083307 135131729 /nfs/dbraw/zinc/13/17/29/135131729.db2.gz JBVWGMUAVJLROR-UHFFFAOYSA-N 1 0 212.297 -0.007 20 30 BBEDRO Cn1cc(CCNC(=[NH2+])N2CCOCC2)cn1 ZINC000264085443 135132523 /nfs/dbraw/zinc/13/25/23/135132523.db2.gz JGKKKJBWHWCWQA-UHFFFAOYSA-N 1 0 237.307 -0.391 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCCS(C)(=O)=O ZINC000264086866 135132639 /nfs/dbraw/zinc/13/26/39/135132639.db2.gz JQCVWDIATWXUPS-UHFFFAOYSA-N 1 0 233.337 -0.099 20 30 BBEDRO COCCNC(=[NH2+])NCCCn1ccnc1 ZINC000264087115 135132554 /nfs/dbraw/zinc/13/25/54/135132554.db2.gz JXDQMYLDIGOTDX-UHFFFAOYSA-N 1 0 225.296 -0.176 20 30 BBEDRO Cc1cccc(C(=O)NCCNC(N)=[NH2+])c1 ZINC000264087952 135132492 /nfs/dbraw/zinc/13/24/92/135132492.db2.gz KAPATYUPUZQPPP-UHFFFAOYSA-N 1 0 220.276 -0.002 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H](C)N1CCOCC1 ZINC000264089090 534843868 /nfs/dbraw/zinc/84/38/68/534843868.db2.gz KMFFARKEPZAEPZ-JTQLQIEISA-N 1 0 226.324 -0.203 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H](C)N1CCOCC1 ZINC000264089093 135132464 /nfs/dbraw/zinc/13/24/64/135132464.db2.gz KMFFARKEPZAEPZ-SNVBAGLBSA-N 1 0 226.324 -0.203 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCCn1ccnc1 ZINC000264090166 135132577 /nfs/dbraw/zinc/13/25/77/135132577.db2.gz KPNWWHIPTOOOLE-SECBINFHSA-N 1 0 225.296 -0.178 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCn1ccnc1 ZINC000264090169 135132477 /nfs/dbraw/zinc/13/24/77/135132477.db2.gz KPNWWHIPTOOOLE-VIFPVBQESA-N 1 0 225.296 -0.178 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(=O)NCCOC ZINC000264091419 135132594 /nfs/dbraw/zinc/13/25/94/135132594.db2.gz KYNZYJDKNCWGIL-UHFFFAOYSA-N 1 0 228.296 -0.771 20 30 BBEDRO CCCCNC(=[NH2+])NCCn1cncn1 ZINC000264091618 135132400 /nfs/dbraw/zinc/13/24/00/135132400.db2.gz LCEHFQXXHGQQAF-UHFFFAOYSA-N 1 0 210.285 -0.018 20 30 BBEDRO CNC(=[NH2+])NCc1ccc(N2CCOCC2)nc1 ZINC000264091729 135132274 /nfs/dbraw/zinc/13/22/74/135132274.db2.gz LFOOQGYAHJSQSS-UHFFFAOYSA-N 1 0 249.318 -0.048 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCC(=O)N(C)C ZINC000264091879 135132672 /nfs/dbraw/zinc/13/26/72/135132672.db2.gz LGMNICSFRBEIKT-UHFFFAOYSA-N 1 0 212.297 -0.055 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCCc1cnn(C)c1 ZINC000264093562 135132385 /nfs/dbraw/zinc/13/23/85/135132385.db2.gz LURRSHACFOENEK-SECBINFHSA-N 1 0 239.323 -0.098 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCc1cnn(C)c1 ZINC000264093564 135132435 /nfs/dbraw/zinc/13/24/35/135132435.db2.gz LURRSHACFOENEK-VIFPVBQESA-N 1 0 239.323 -0.098 20 30 BBEDRO C=CCNC(=[NH2+])NCCNC(=O)C1CC1 ZINC000264096315 136281342 /nfs/dbraw/zinc/28/13/42/136281342.db2.gz LZNVCLLQZNSXGD-UHFFFAOYSA-N 1 0 210.281 -0.397 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCNC(=O)C1CC1 ZINC000264098774 135133174 /nfs/dbraw/zinc/13/31/74/135133174.db2.gz MHVQGDODHQLJBR-UHFFFAOYSA-N 1 0 224.308 -0.007 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCCNS(C)(=O)=O ZINC000264098990 135133229 /nfs/dbraw/zinc/13/32/29/135133229.db2.gz NOCPCPFDCKFCHH-UHFFFAOYSA-N 1 0 248.352 -0.594 20 30 BBEDRO CCNC(=[NH2+])NCCNC(=O)c1cccnc1 ZINC000264099680 135132913 /nfs/dbraw/zinc/13/29/13/135132913.db2.gz NREYCJWSSWVSHK-UHFFFAOYSA-N 1 0 235.291 -0.264 20 30 BBEDRO NC(=[NH2+])NCC(=O)NCCc1ccccc1 ZINC000264109344 135133653 /nfs/dbraw/zinc/13/36/53/135133653.db2.gz QJZKXDFYHQOVBD-UHFFFAOYSA-N 1 0 220.276 -0.381 20 30 BBEDRO [NH2+]=C(NCCCn1cccn1)N1CCOCC1 ZINC000264115252 135133708 /nfs/dbraw/zinc/13/37/08/135133708.db2.gz PPRUGZPSWSAWNS-UHFFFAOYSA-N 1 0 237.307 -0.080 20 30 BBEDRO CNC(=[NH2+])NCCNC(=O)c1ccc(O)cc1 ZINC000264116505 172957222 /nfs/dbraw/zinc/95/72/22/172957222.db2.gz SUPBSGYCALVSJB-UHFFFAOYSA-N 1 0 236.275 -0.344 20 30 BBEDRO COCCNC(=[NH2+])NCCn1ccnc1C ZINC000264117580 174303952 /nfs/dbraw/zinc/30/39/52/174303952.db2.gz TUOLGSNNXCUHQU-UHFFFAOYSA-N 1 0 225.296 -0.258 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCNS(=O)(=O)CC ZINC000264119531 135134652 /nfs/dbraw/zinc/13/46/52/135134652.db2.gz ULOUFKCNHBDRFN-UHFFFAOYSA-N 1 0 248.352 -0.594 20 30 BBEDRO CNC(NCCNC(=O)c1cccnc1)=[NH+]C ZINC000264120836 135134515 /nfs/dbraw/zinc/13/45/15/135134515.db2.gz UVLHUTZBRJJBGR-UHFFFAOYSA-N 1 0 235.291 -0.394 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000264122858 135134398 /nfs/dbraw/zinc/13/43/98/135134398.db2.gz VJSDLTSOJFMGSE-UHFFFAOYSA-N 1 0 212.297 -0.022 20 30 BBEDRO COCCNC(=[NH2+])NCCc1cnn(C)c1 ZINC000264123979 135134524 /nfs/dbraw/zinc/13/45/24/135134524.db2.gz VXGRMURKJMOISS-UHFFFAOYSA-N 1 0 225.296 -0.487 20 30 BBEDRO Cn1cc(CNC(=[NH2+])N2CCOCC2)cn1 ZINC000264125190 135134628 /nfs/dbraw/zinc/13/46/28/135134628.db2.gz WEUPSRFINQXQLV-UHFFFAOYSA-N 1 0 223.280 -0.433 20 30 BBEDRO CC(C)CNC(=[NH2+])NCCn1cncn1 ZINC000264125680 135361889 /nfs/dbraw/zinc/36/18/89/135361889.db2.gz SFGKNYACMGIORY-UHFFFAOYSA-N 1 0 210.285 -0.162 20 30 BBEDRO COc1cccc(C(=O)NCCNC(N)=[NH2+])c1 ZINC000264127042 135134603 /nfs/dbraw/zinc/13/46/03/135134603.db2.gz SOLZLNMPHTVVFJ-UHFFFAOYSA-N 1 0 236.275 -0.302 20 30 BBEDRO COc1ccc(C(=O)NCCNC(N)=[NH2+])cc1 ZINC000264128418 135134870 /nfs/dbraw/zinc/13/48/70/135134870.db2.gz XCQDODVIGBTELS-UHFFFAOYSA-N 1 0 236.275 -0.302 20 30 BBEDRO COCCOc1ncccc1CNC(N)=[NH2+] ZINC000264128964 135134914 /nfs/dbraw/zinc/13/49/14/135134914.db2.gz XFZASJWVFAYTPC-UHFFFAOYSA-N 1 0 224.264 -0.120 20 30 BBEDRO C=CCNC(=[NH2+])NCCNS(=O)(=O)CC ZINC000264130641 135134971 /nfs/dbraw/zinc/13/49/71/135134971.db2.gz XWVBVXMEJGNGAM-UHFFFAOYSA-N 1 0 234.325 -0.984 20 30 BBEDRO CNC(=[NH2+])NCCNC(=O)c1cccnc1 ZINC000264130686 135134834 /nfs/dbraw/zinc/13/48/34/135134834.db2.gz XYFXUKFNVGKUFX-UHFFFAOYSA-N 1 0 221.264 -0.655 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCN1CCOCC1 ZINC000264131836 135135144 /nfs/dbraw/zinc/13/51/44/135135144.db2.gz UBQPUOKDELPOLS-UHFFFAOYSA-N 1 0 226.324 -0.201 20 30 BBEDRO C=CCNC(=[NH2+])NCCNC(=O)C(C)C ZINC000264146058 135135971 /nfs/dbraw/zinc/13/59/71/135135971.db2.gz XWVLDNHYWWYZMS-UHFFFAOYSA-N 1 0 212.297 -0.151 20 30 BBEDRO [NH2+]=C(NCCCn1ccnc1)N1CCOCC1 ZINC000264151869 135135949 /nfs/dbraw/zinc/13/59/49/135135949.db2.gz ZJIOBNIIOIFGTN-UHFFFAOYSA-N 1 0 237.307 -0.080 20 30 BBEDRO CNC(=[NH2+])NCCc1cccc(C(N)=O)c1 ZINC000264153793 135135617 /nfs/dbraw/zinc/13/56/17/135135617.db2.gz ADXRNJVOTOCWPI-UHFFFAOYSA-N 1 0 220.276 -0.138 20 30 BBEDRO C=CCNC(=[NH2+])NCCCN1CCOC1=O ZINC000264251166 135137489 /nfs/dbraw/zinc/13/74/89/135137489.db2.gz HBAQDRRHEDCFON-UHFFFAOYSA-N 1 0 226.280 -0.081 20 30 BBEDRO C#CCNC(=O)N(CCOC)CC[NH+](C)C ZINC000264254426 166176055 /nfs/dbraw/zinc/17/60/55/166176055.db2.gz KQISJQGYUFDZPL-UHFFFAOYSA-N 1 0 227.308 -0.161 20 30 BBEDRO CNC(=[NH2+])NCCCN1CCOC1=O ZINC000264257868 135137498 /nfs/dbraw/zinc/13/74/98/135137498.db2.gz IQSHKPKJXZUASL-UHFFFAOYSA-N 1 0 200.242 -0.637 20 30 BBEDRO C=CCNC(=[NH2+])NCCCNS(=O)(=O)CC ZINC000264283151 135137144 /nfs/dbraw/zinc/13/71/44/135137144.db2.gz OAXIMRNYPSUJMY-UHFFFAOYSA-N 1 0 248.352 -0.594 20 30 BBEDRO C=CCNC(=[NH2+])NCCS(=O)(=O)CC ZINC000264290970 135137391 /nfs/dbraw/zinc/13/73/91/135137391.db2.gz PSWFIXYGVFZMJW-UHFFFAOYSA-N 1 0 219.310 -0.489 20 30 BBEDRO CNC(=[NH2+])NCC(=O)N(C)CCc1ccccn1 ZINC000264303896 536304730 /nfs/dbraw/zinc/30/47/30/536304730.db2.gz SMDAADHWBVYTNZ-UHFFFAOYSA-N 1 0 249.318 -0.383 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCS(=O)(=O)CC ZINC000264304092 135138187 /nfs/dbraw/zinc/13/81/87/135138187.db2.gz SQNIXGUSVTYZED-UHFFFAOYSA-N 1 0 233.337 -0.099 20 30 BBEDRO COCCNC(=[NH2+])NCCCc1cnn(C)c1 ZINC000264312955 135138097 /nfs/dbraw/zinc/13/80/97/135138097.db2.gz VKKUDSUJZFQUOV-UHFFFAOYSA-N 1 0 239.323 -0.097 20 30 BBEDRO C=CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264706460 166379309 /nfs/dbraw/zinc/37/93/09/166379309.db2.gz HZXFHNVHVXNKGG-JTQLQIEISA-N 1 0 226.324 -0.283 20 30 BBEDRO C#CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264722236 166179811 /nfs/dbraw/zinc/17/98/11/166179811.db2.gz LDPLBFNQDYFNJV-JTQLQIEISA-N 1 0 224.308 -0.835 20 30 BBEDRO C#CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264722238 166178603 /nfs/dbraw/zinc/17/86/03/166178603.db2.gz LDPLBFNQDYFNJV-SNVBAGLBSA-N 1 0 224.308 -0.835 20 30 BBEDRO C#CCNC(NCCN1CCOCC1)=[NH+]C ZINC000264969129 533143190 /nfs/dbraw/zinc/14/31/90/533143190.db2.gz DPCJLRGWPGDJFF-UHFFFAOYSA-N 1 0 224.308 -0.883 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C)C1=O ZINC000265664033 166382415 /nfs/dbraw/zinc/38/24/15/166382415.db2.gz UIHBXYWXTNACHZ-NXEZZACHSA-N 1 0 239.319 -0.160 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C)C1=O ZINC000265664036 166383487 /nfs/dbraw/zinc/38/34/87/166383487.db2.gz UIHBXYWXTNACHZ-ZJUUUORDSA-N 1 0 239.319 -0.160 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N1CCO[C@@H](C#N)C1 ZINC000265702123 135145785 /nfs/dbraw/zinc/14/57/85/135145785.db2.gz RGYXBZIRKNEIHY-FSIBCCDJSA-N 1 0 223.276 -0.145 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N1CCO[C@H](C#N)C1 ZINC000265702132 135145688 /nfs/dbraw/zinc/14/56/88/135145688.db2.gz RGYXBZIRKNEIHY-HMDXOVGESA-N 1 0 223.276 -0.145 20 30 BBEDRO C=CCCN1CCNC(=O)[C@H]1CC(=O)OC ZINC000265787703 166263693 /nfs/dbraw/zinc/26/36/93/166263693.db2.gz HCDIPJTUICGWPN-SECBINFHSA-N 1 0 226.276 -0.074 20 30 BBEDRO C=CCCN1CCNC(=O)[C@@H]1CC(=O)OC ZINC000265787705 166265356 /nfs/dbraw/zinc/26/53/56/166265356.db2.gz HCDIPJTUICGWPN-VIFPVBQESA-N 1 0 226.276 -0.074 20 30 BBEDRO C[NH+](C)CCN1C[C@H](C(=O)NCC#N)CC1=O ZINC000265858991 535882157 /nfs/dbraw/zinc/88/21/57/535882157.db2.gz WHFFYNFILKFBCW-SECBINFHSA-N 1 0 238.291 -0.964 20 30 BBEDRO C[NH+](C)CCN1C[C@@H](C(=O)NCC#N)CC1=O ZINC000265858994 535877852 /nfs/dbraw/zinc/87/78/52/535877852.db2.gz WHFFYNFILKFBCW-VIFPVBQESA-N 1 0 238.291 -0.964 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N1CCN(CC#N)CC1 ZINC000266640138 135148992 /nfs/dbraw/zinc/14/89/92/135148992.db2.gz CDCHQNHLTOLSJK-ONEGZZNKSA-N 1 0 236.319 -0.228 20 30 BBEDRO C#CCN(CC)C(=O)[C@@H]1CN(C)CCO1 ZINC000266837295 166164714 /nfs/dbraw/zinc/16/47/14/166164714.db2.gz LQBOFISQMQDMML-JTQLQIEISA-N 1 0 210.277 -0.201 20 30 BBEDRO C[NH+](C)CCCN(CCC#N)C(=O)CC(N)=O ZINC000266844484 135149926 /nfs/dbraw/zinc/14/99/26/135149926.db2.gz NQFWEHXRLRZUKD-UHFFFAOYSA-N 1 0 240.307 -0.444 20 30 BBEDRO C#CC[N@H+](CC)CCC(=O)NCC(=O)OC ZINC000266894493 387403965 /nfs/dbraw/zinc/40/39/65/387403965.db2.gz DWEIOUFNCWBSCI-UHFFFAOYSA-N 1 0 226.276 -0.379 20 30 BBEDRO C#CC[N@H+](CC)CCCN1C(=O)CNC1=O ZINC000266902625 387407118 /nfs/dbraw/zinc/40/71/18/387407118.db2.gz GTZVOJDBIBLCMB-UHFFFAOYSA-N 1 0 223.276 -0.117 20 30 BBEDRO C#CCN(CC)CC(=O)N(C)CC(=O)OCC ZINC000266904249 166166800 /nfs/dbraw/zinc/16/68/00/166166800.db2.gz HFWGZNRZMYTHSC-UHFFFAOYSA-N 1 0 240.303 -0.037 20 30 BBEDRO C#CC[N@@H+](CC)Cc1cc(=O)n(C)c(=O)n1C ZINC000266939794 187235852 /nfs/dbraw/zinc/23/58/52/187235852.db2.gz RAVNKZFQHFJUDM-UHFFFAOYSA-N 1 0 235.287 -0.461 20 30 BBEDRO C#CCN(CC)CC(=O)NC(=O)NCC ZINC000266968465 166165885 /nfs/dbraw/zinc/16/58/85/166165885.db2.gz ZBOVYQPUEITXCF-UHFFFAOYSA-N 1 0 211.265 -0.213 20 30 BBEDRO C#CCN(CC)CC(=O)N1CCNC1=O ZINC000267224146 166166447 /nfs/dbraw/zinc/16/64/47/166166447.db2.gz BERFSZHBZNEODY-UHFFFAOYSA-N 1 0 209.249 -0.507 20 30 BBEDRO C#CC[N@H+](CC)CCCS(N)(=O)=O ZINC000267234588 188088280 /nfs/dbraw/zinc/08/82/80/188088280.db2.gz DFYKUPOAIIDXJI-UHFFFAOYSA-N 1 0 204.295 -0.380 20 30 BBEDRO C#CC[N@H+](CC)CCN1C(=O)CNC1=O ZINC000267277650 387406927 /nfs/dbraw/zinc/40/69/27/387406927.db2.gz HAXNWVFTWVOSQC-UHFFFAOYSA-N 1 0 209.249 -0.507 20 30 BBEDRO C#CC[N@H+](CC)CCCC(=O)NC(N)=O ZINC000267334773 188261053 /nfs/dbraw/zinc/26/10/53/188261053.db2.gz RHHZZJVBHVFEJZ-UHFFFAOYSA-N 1 0 211.265 -0.083 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC000267341322 388999651 /nfs/dbraw/zinc/99/96/51/388999651.db2.gz LGEOHTPXXHKYKT-KOLCDFICSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC000267341324 388999876 /nfs/dbraw/zinc/99/98/76/388999876.db2.gz LGEOHTPXXHKYKT-ONGXEEELSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCN(CC)CC(=O)N1CCOCC1 ZINC000267352320 166165989 /nfs/dbraw/zinc/16/59/89/166165989.db2.gz VCPLIPKVKFJVRW-UHFFFAOYSA-N 1 0 210.277 -0.200 20 30 BBEDRO CCc1nc(CCNC(NC)=[NH+]C)no1 ZINC000267416781 135153902 /nfs/dbraw/zinc/15/39/02/135153902.db2.gz JJJCFBNEQZCXLN-UHFFFAOYSA-N 1 0 211.269 -0.031 20 30 BBEDRO CNC(NCCCc1[nH]nc(N)c1C#N)=[NH+]C ZINC000267419013 135154063 /nfs/dbraw/zinc/15/40/63/135154063.db2.gz JVZMLAOFGYTBBE-UHFFFAOYSA-N 1 0 235.295 -0.409 20 30 BBEDRO CCNC(=[NH2+])NCCCc1[nH]nc(N)c1C#N ZINC000267421315 135153883 /nfs/dbraw/zinc/15/38/83/135153883.db2.gz KPTXLKCHKSXCEV-UHFFFAOYSA-N 1 0 235.295 -0.280 20 30 BBEDRO C#CCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000267426838 532999568 /nfs/dbraw/zinc/99/95/68/532999568.db2.gz LNPJHZKUXDOCAA-UHFFFAOYSA-N 1 0 238.335 -0.364 20 30 BBEDRO CCCCNC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000267433935 135154259 /nfs/dbraw/zinc/15/42/59/135154259.db2.gz NJTAPAJMFFJKTE-UHFFFAOYSA-N 1 0 241.295 -0.757 20 30 BBEDRO C=CCNC(=[NH2+])NCCCc1[nH]nc(N)c1C#N ZINC000267435022 135154280 /nfs/dbraw/zinc/15/42/80/135154280.db2.gz NOOAXXMUCFSFAC-UHFFFAOYSA-N 1 0 247.306 -0.114 20 30 BBEDRO CCN(CC)C(=[NH2+])NCCN1C(=O)CNC1=O ZINC000267451716 535388871 /nfs/dbraw/zinc/38/88/71/535388871.db2.gz ROZYIJAUCVZCRN-UHFFFAOYSA-N 1 0 241.295 -0.805 20 30 BBEDRO C#CCCNC(NCCN1CCOCC1)=[NH+]C ZINC000267456562 533044039 /nfs/dbraw/zinc/04/40/39/533044039.db2.gz GRMYUXNSOXHTHO-UHFFFAOYSA-N 1 0 238.335 -0.493 20 30 BBEDRO CCc1nc(CCNC(=[NH2+])NCCOC)no1 ZINC000267458901 135155197 /nfs/dbraw/zinc/15/51/97/135155197.db2.gz UJUIMECXHHGRLQ-UHFFFAOYSA-N 1 0 241.295 -0.275 20 30 BBEDRO N#Cc1c(N)n[nH]c1CCCNC(=[NH2+])NC1CC1 ZINC000267462507 135154765 /nfs/dbraw/zinc/15/47/65/135154765.db2.gz VRDXVLVEOHQACT-UHFFFAOYSA-N 1 0 247.306 -0.137 20 30 BBEDRO CN(C)C(=[NH+]CCN1C(=O)CNC1=O)N(C)C ZINC000267463553 135154679 /nfs/dbraw/zinc/15/46/79/135154679.db2.gz VTWAJUTUZIWRDI-UHFFFAOYSA-N 1 0 241.295 -0.983 20 30 BBEDRO CCNC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000267476511 535424079 /nfs/dbraw/zinc/42/40/79/535424079.db2.gz ZLVSOBXYODSVLS-UHFFFAOYSA-N 1 0 224.312 -0.090 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](OC)C1 ZINC000267646485 487501237 /nfs/dbraw/zinc/50/12/37/487501237.db2.gz JZYRSVBJHUWPPU-UWVGGRQHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](OC)C1 ZINC000267646486 188260781 /nfs/dbraw/zinc/26/07/81/188260781.db2.gz JZYRSVBJHUWPPU-ZJUUUORDSA-N 1 0 210.277 -0.155 20 30 BBEDRO C=CCNC(=[NH2+])NCC1(CS(C)(=O)=O)CC1 ZINC000267726003 135155998 /nfs/dbraw/zinc/15/59/98/135155998.db2.gz VINIQMQYQRMEFO-UHFFFAOYSA-N 1 0 245.348 -0.099 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N1CCOC[C@@H]1C#N ZINC000268068730 135157270 /nfs/dbraw/zinc/15/72/70/135157270.db2.gz DBSWXAHQGWYBSQ-FSIBCCDJSA-N 1 0 223.276 -0.145 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N1CCOC[C@H]1C#N ZINC000268068732 135157308 /nfs/dbraw/zinc/15/73/08/135157308.db2.gz DBSWXAHQGWYBSQ-HMDXOVGESA-N 1 0 223.276 -0.145 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2CC(O)C2)CC1 ZINC000268179233 387412907 /nfs/dbraw/zinc/41/29/07/387412907.db2.gz ASSKHBVNVWTPDX-UHFFFAOYSA-N 1 0 222.288 -0.465 20 30 BBEDRO C#CCN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268448182 188262196 /nfs/dbraw/zinc/26/21/96/188262196.db2.gz IEVLGGWIBUCFIF-UHFFFAOYSA-N 1 0 223.320 -0.285 20 30 BBEDRO C=CCCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000269002838 166234970 /nfs/dbraw/zinc/23/49/70/166234970.db2.gz KCVRAGVYCKJSIH-JTQLQIEISA-N 1 0 237.303 -0.405 20 30 BBEDRO C=CCCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000269002839 166234104 /nfs/dbraw/zinc/23/41/04/166234104.db2.gz KCVRAGVYCKJSIH-SNVBAGLBSA-N 1 0 237.303 -0.405 20 30 BBEDRO CCNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000269085326 535423210 /nfs/dbraw/zinc/42/32/10/535423210.db2.gz MHPKRXOEGUOWTC-UHFFFAOYSA-N 1 0 226.240 -0.285 20 30 BBEDRO CCNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000269309421 535421903 /nfs/dbraw/zinc/42/19/03/535421903.db2.gz VUQYAIBBRCEWKT-UHFFFAOYSA-N 1 0 200.242 -0.639 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N(C)CC(C)(CO)CO ZINC000269323427 166382911 /nfs/dbraw/zinc/38/29/11/166382911.db2.gz QXMWWAMCSFMCQV-SNVBAGLBSA-N 1 0 244.335 -0.400 20 30 BBEDRO C#CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269678011 166179369 /nfs/dbraw/zinc/17/93/69/166179369.db2.gz DTDFRRABPRYBEU-JTQLQIEISA-N 1 0 213.281 -0.769 20 30 BBEDRO C#CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269678015 166178376 /nfs/dbraw/zinc/17/83/76/166178376.db2.gz DTDFRRABPRYBEU-SNVBAGLBSA-N 1 0 213.281 -0.769 20 30 BBEDRO CCC(N)=[NH+]OCCCN1C(=O)CNC1=O ZINC000270233343 535226856 /nfs/dbraw/zinc/22/68/56/535226856.db2.gz IXASDPDVQHPUPE-UHFFFAOYSA-N 1 0 228.252 -0.373 20 30 BBEDRO Cc1c(CNC(=[NH2+])N2CCOCC2)cnn1C ZINC000270388705 135171707 /nfs/dbraw/zinc/17/17/07/135171707.db2.gz BHJTXFAGQGTVKF-UHFFFAOYSA-N 1 0 237.307 -0.125 20 30 BBEDRO CC#CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000270540572 135171970 /nfs/dbraw/zinc/17/19/70/135171970.db2.gz BVLQFIZTZKIPOC-UHFFFAOYSA-N 1 0 238.335 -0.364 20 30 BBEDRO CC#CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000270730862 387437489 /nfs/dbraw/zinc/43/74/89/387437489.db2.gz RAQQFIHXJPPQAS-LLVKDONJSA-N 1 0 238.335 -0.445 20 30 BBEDRO CC#CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000270730865 387437593 /nfs/dbraw/zinc/43/75/93/387437593.db2.gz RAQQFIHXJPPQAS-NSHDSACASA-N 1 0 238.335 -0.445 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(N)=O)C1 ZINC000270760629 166382308 /nfs/dbraw/zinc/38/23/08/166382308.db2.gz QHEQVKLGMJIOGY-BDAKNGLRSA-N 1 0 240.307 -0.580 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(N)=O)C1 ZINC000270760634 166382170 /nfs/dbraw/zinc/38/21/70/166382170.db2.gz QHEQVKLGMJIOGY-RKDXNWHRSA-N 1 0 240.307 -0.580 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000270900134 166367702 /nfs/dbraw/zinc/36/77/02/166367702.db2.gz MJJQWWYGKQHDPB-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000270900136 166368041 /nfs/dbraw/zinc/36/80/41/166368041.db2.gz MJJQWWYGKQHDPB-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000270900137 166367664 /nfs/dbraw/zinc/36/76/64/166367664.db2.gz MJJQWWYGKQHDPB-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1C[C@H](O)[C@H](CC)C1 ZINC000270900139 166368675 /nfs/dbraw/zinc/36/86/75/166368675.db2.gz MJJQWWYGKQHDPB-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@H](CC)C1 ZINC000270921327 188090465 /nfs/dbraw/zinc/09/04/65/188090465.db2.gz PAVCFEHIFSGCSM-AXFHLTTASA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000270921331 527028453 /nfs/dbraw/zinc/02/84/53/527028453.db2.gz PAVCFEHIFSGCSM-DCAQKATOSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000270921333 188262644 /nfs/dbraw/zinc/26/26/44/188262644.db2.gz PAVCFEHIFSGCSM-GARJFASQSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000270921336 187236610 /nfs/dbraw/zinc/23/66/10/187236610.db2.gz PAVCFEHIFSGCSM-HBNTYKKESA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCCCN1CCNC(=O)[C@@H]1CC(=O)OC ZINC000271002286 166130422 /nfs/dbraw/zinc/13/04/22/166130422.db2.gz GKQTXSRSPQAYGC-JTQLQIEISA-N 1 0 238.287 -0.237 20 30 BBEDRO C#CCCCN1CCNC(=O)[C@H]1CC(=O)OC ZINC000271002287 166130136 /nfs/dbraw/zinc/13/01/36/166130136.db2.gz GKQTXSRSPQAYGC-SNVBAGLBSA-N 1 0 238.287 -0.237 20 30 BBEDRO C#CCCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000271009939 166130370 /nfs/dbraw/zinc/13/03/70/166130370.db2.gz HQECPTIXNBKNIA-LLVKDONJSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CCCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000271009943 166130407 /nfs/dbraw/zinc/13/04/07/166130407.db2.gz HQECPTIXNBKNIA-NSHDSACASA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CC[N@@H+](CC)Cc1cn(C)c(=O)n(C)c1=O ZINC000271135239 387439861 /nfs/dbraw/zinc/43/98/61/387439861.db2.gz MHKGCQZNFUMFAB-UHFFFAOYSA-N 1 0 235.287 -0.461 20 30 BBEDRO C#CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000271149394 166181399 /nfs/dbraw/zinc/18/13/99/166181399.db2.gz UMLGYQJQJQXFJL-JTQLQIEISA-N 1 0 210.277 -0.296 20 30 BBEDRO C#CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000271149395 166183697 /nfs/dbraw/zinc/18/36/97/166183697.db2.gz UMLGYQJQJQXFJL-SNVBAGLBSA-N 1 0 210.277 -0.296 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000271809320 351438031 /nfs/dbraw/zinc/43/80/31/351438031.db2.gz BGOVRJWLNNDWDR-UHFFFAOYSA-N 1 0 240.307 -0.674 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NC(C)(C)C ZINC000271914284 534856285 /nfs/dbraw/zinc/85/62/85/534856285.db2.gz BRDFHGPDYFNMSQ-UHFFFAOYSA-N 1 0 212.297 -0.009 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NCC(C)C ZINC000271914452 534856130 /nfs/dbraw/zinc/85/61/30/534856130.db2.gz BUXWYRVGGYEQLF-UHFFFAOYSA-N 1 0 212.297 -0.151 20 30 BBEDRO C=CCNC(=O)C[NH+]=C(N(C)C)N(C)C ZINC000271920703 351444931 /nfs/dbraw/zinc/44/49/31/351444931.db2.gz DQYABFGVBPINKJ-UHFFFAOYSA-N 1 0 212.297 -0.232 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N[C@H](C)COC ZINC000271920731 534856099 /nfs/dbraw/zinc/85/60/99/534856099.db2.gz DUFPIPXOSGSQLM-MRVPVSSYSA-N 1 0 228.296 -0.772 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N[C@@H](C)COC ZINC000271920732 534855837 /nfs/dbraw/zinc/85/58/37/534855837.db2.gz DUFPIPXOSGSQLM-QMMMGPOBSA-N 1 0 228.296 -0.772 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N(CC)CC ZINC000271930905 351445956 /nfs/dbraw/zinc/44/59/56/351445956.db2.gz IBBCTCAJJFSYCK-UHFFFAOYSA-N 1 0 212.297 -0.055 20 30 BBEDRO C=CCNC(=O)CNC(NCC)=[NH+]CC ZINC000271946214 534856916 /nfs/dbraw/zinc/85/69/16/534856916.db2.gz NFGKHFQLBCDOGJ-UHFFFAOYSA-N 1 0 212.297 -0.136 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000271954781 166368788 /nfs/dbraw/zinc/36/87/88/166368788.db2.gz CVNNMZDYFXOXMT-LLVKDONJSA-N 1 0 241.335 -0.009 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000271954786 166370257 /nfs/dbraw/zinc/37/02/57/166370257.db2.gz CVNNMZDYFXOXMT-NSHDSACASA-N 1 0 241.335 -0.009 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N[C@H](C)CC ZINC000271966383 534856288 /nfs/dbraw/zinc/85/62/88/534856288.db2.gz SRIRASCOLAESMO-MRVPVSSYSA-N 1 0 212.297 -0.009 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N[C@@H](C)CC ZINC000271966385 534856280 /nfs/dbraw/zinc/85/62/80/534856280.db2.gz SRIRASCOLAESMO-QMMMGPOBSA-N 1 0 212.297 -0.009 20 30 BBEDRO C=CCNC(=O)CNC(=O)/C=C/C[NH+](C)C ZINC000271973711 166368795 /nfs/dbraw/zinc/36/87/95/166368795.db2.gz KFXMPDQUTIVORY-AATRIKPKSA-N 1 0 225.292 -0.477 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NCCCC ZINC000271977442 487640904 /nfs/dbraw/zinc/64/09/04/487640904.db2.gz WBNZEVLKSFKCAD-UHFFFAOYSA-N 1 0 212.297 -0.007 20 30 BBEDRO C=CCNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000272128238 351456251 /nfs/dbraw/zinc/45/62/51/351456251.db2.gz VPNHLMRZKKQMTB-UHFFFAOYSA-N 1 0 210.281 -0.397 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000272132465 351456533 /nfs/dbraw/zinc/45/65/33/351456533.db2.gz XCLGIOGGESXPQB-UHFFFAOYSA-N 1 0 224.308 -0.007 20 30 BBEDRO C=CCNC(=[NH2+])NCCCOCCO ZINC000272343694 351469843 /nfs/dbraw/zinc/46/98/43/351469843.db2.gz AZJYCNYDPIECAG-UHFFFAOYSA-N 1 0 201.270 -0.524 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCCOCCO ZINC000272371983 351470900 /nfs/dbraw/zinc/47/09/00/351470900.db2.gz HFIHZVLVAQDZOZ-UHFFFAOYSA-N 1 0 215.297 -0.134 20 30 BBEDRO CCNC(=[NH2+])NCCNC(=O)c1ccn[nH]1 ZINC000272382444 133542599 /nfs/dbraw/zinc/54/25/99/133542599.db2.gz JHXKEVSOVVTSJU-UHFFFAOYSA-N 1 0 224.268 -0.936 20 30 BBEDRO CCCNC(=[NH2+])NCCNC(=O)c1ccn[nH]1 ZINC000272396275 351472586 /nfs/dbraw/zinc/47/25/86/351472586.db2.gz MFWQWMSPPSFPJB-UHFFFAOYSA-N 1 0 238.295 -0.546 20 30 BBEDRO C=CCNC(=[NH2+])NCCNC(=O)c1ccn[nH]1 ZINC000272466918 351478254 /nfs/dbraw/zinc/47/82/54/351478254.db2.gz YPGDDXRPHDCMQE-UHFFFAOYSA-N 1 0 236.279 -0.770 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H](COC)OC ZINC000272597015 534843905 /nfs/dbraw/zinc/84/39/05/534843905.db2.gz DNCCDXDVQUYXSL-MRVPVSSYSA-N 1 0 201.270 -0.262 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H](COC)OC ZINC000272597018 351487860 /nfs/dbraw/zinc/48/78/60/351487860.db2.gz DNCCDXDVQUYXSL-QMMMGPOBSA-N 1 0 201.270 -0.262 20 30 BBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NCC ZINC000272783546 351495059 /nfs/dbraw/zinc/49/50/59/351495059.db2.gz CAZWMFVJCRTTMU-UHFFFAOYSA-N 1 0 219.310 -0.489 20 30 BBEDRO C=CCS(=O)(=O)CCNC(NC)=[NH+]C ZINC000272803860 133543779 /nfs/dbraw/zinc/54/37/79/133543779.db2.gz GLZSMEQUZGONOB-UHFFFAOYSA-N 1 0 219.310 -0.618 20 30 BBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NC1CC1 ZINC000272815519 133543812 /nfs/dbraw/zinc/54/38/12/133543812.db2.gz IVQQTZLPEITCRN-UHFFFAOYSA-N 1 0 231.321 -0.346 20 30 BBEDRO C=CCNC(=[NH2+])NCCS(=O)(=O)CC=C ZINC000272815574 351496956 /nfs/dbraw/zinc/49/69/56/351496956.db2.gz IWXRLUIJLFPINX-UHFFFAOYSA-N 1 0 231.321 -0.323 20 30 BBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NCCC ZINC000272818872 351496815 /nfs/dbraw/zinc/49/68/15/351496815.db2.gz JQTPXNILUKHQFM-UHFFFAOYSA-N 1 0 233.337 -0.099 20 30 BBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NCCOC ZINC000272834206 351496647 /nfs/dbraw/zinc/49/66/47/351496647.db2.gz MVHYESIRJGAQIF-UHFFFAOYSA-N 1 0 249.336 -0.862 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N(C)CC(=O)NC ZINC000272887381 166382929 /nfs/dbraw/zinc/38/29/29/166382929.db2.gz XXINAGDBJFLIGD-MRVPVSSYSA-N 1 0 213.281 -0.645 20 30 BBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000273345528 133545458 /nfs/dbraw/zinc/54/54/58/133545458.db2.gz OKMLMYAQGJLHRV-UHFFFAOYSA-N 1 0 245.348 -0.004 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000274065006 166370092 /nfs/dbraw/zinc/37/00/92/166370092.db2.gz QRUIFXJFWFWXQB-BDAKNGLRSA-N 1 0 200.282 -0.105 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000274065007 166370546 /nfs/dbraw/zinc/37/05/46/166370546.db2.gz QRUIFXJFWFWXQB-DTWKUNHWSA-N 1 0 200.282 -0.105 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000274065008 166369644 /nfs/dbraw/zinc/36/96/44/166369644.db2.gz QRUIFXJFWFWXQB-IUCAKERBSA-N 1 0 200.282 -0.105 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)CO ZINC000274065009 166369972 /nfs/dbraw/zinc/36/99/72/166369972.db2.gz QRUIFXJFWFWXQB-RKDXNWHRSA-N 1 0 200.282 -0.105 20 30 BBEDRO C#CC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000274073368 188091738 /nfs/dbraw/zinc/09/17/38/188091738.db2.gz FZIAOLJGGOGDTQ-UHFFFAOYSA-N 1 0 247.298 -0.318 20 30 BBEDRO C#CC[N@@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC000274131944 359510756 /nfs/dbraw/zinc/51/07/56/359510756.db2.gz ILSYSDXEOVEZNA-UHFFFAOYSA-N 1 0 221.260 -0.364 20 30 BBEDRO C#CC[N@@H+](CCC(=O)NC(N)=O)C1CC1 ZINC000274204294 398151053 /nfs/dbraw/zinc/15/10/53/398151053.db2.gz RYSINQOPMLXRJN-UHFFFAOYSA-N 1 0 209.249 -0.331 20 30 BBEDRO C#CC[N@@H+](CCC(=O)NC(=O)NC)C1CC1 ZINC000274227610 387466520 /nfs/dbraw/zinc/46/65/20/387466520.db2.gz WCUUHRCXTAIKCE-UHFFFAOYSA-N 1 0 223.276 -0.070 20 30 BBEDRO C#CCNC(=O)NCC[N@H+](CC)CCO ZINC000274524360 387482275 /nfs/dbraw/zinc/48/22/75/387482275.db2.gz XXXDGYXEQYQHEJ-UHFFFAOYSA-N 1 0 213.281 -0.767 20 30 BBEDRO C#C[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000274731380 166209556 /nfs/dbraw/zinc/20/95/56/166209556.db2.gz BGSNAKOPZAESFA-GHMZBOCLSA-N 1 0 238.335 -0.447 20 30 BBEDRO C#C[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000274731386 166208624 /nfs/dbraw/zinc/20/86/24/166208624.db2.gz BGSNAKOPZAESFA-MNOVXSKESA-N 1 0 238.335 -0.447 20 30 BBEDRO C#C[C@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000274731391 387488981 /nfs/dbraw/zinc/48/89/81/387488981.db2.gz BGSNAKOPZAESFA-QWRGUYRKSA-N 1 0 238.335 -0.447 20 30 BBEDRO C#C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000274731397 187238233 /nfs/dbraw/zinc/23/82/33/187238233.db2.gz BGSNAKOPZAESFA-WDEREUQCSA-N 1 0 238.335 -0.447 20 30 BBEDRO C#CC[NH+](CC#C)CCC(=O)N1CCN(C)CC1 ZINC000275186424 187750229 /nfs/dbraw/zinc/75/02/29/187750229.db2.gz CCPNQHIAJDSACJ-UHFFFAOYSA-N 1 0 247.342 -0.281 20 30 BBEDRO C#CCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000275733399 387512277 /nfs/dbraw/zinc/51/22/77/387512277.db2.gz UTTRDKLGKSMTCO-UHFFFAOYSA-N 1 0 225.292 -0.359 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCCO ZINC000276217130 166183828 /nfs/dbraw/zinc/18/38/28/166183828.db2.gz AOWWFTZYINVZEX-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCCCO ZINC000276217132 166181510 /nfs/dbraw/zinc/18/15/10/166181510.db2.gz AOWWFTZYINVZEX-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO N#Cc1cccc(C[N@H+]2CC[C@](O)(C(N)=O)C2)c1 ZINC000276255474 187239070 /nfs/dbraw/zinc/23/90/70/187239070.db2.gz AGGKSVAHMARHSR-CYBMUJFWSA-N 1 0 245.282 -0.020 20 30 BBEDRO N#Cc1cccc(C[N@H+]2CC[C@@](O)(C(N)=O)C2)c1 ZINC000276255477 388738750 /nfs/dbraw/zinc/73/87/50/388738750.db2.gz AGGKSVAHMARHSR-ZDUSSCGKSA-N 1 0 245.282 -0.020 20 30 BBEDRO C#CCC[NH+]1CCN([C@@H](C)c2nnnn2C)CC1 ZINC000276295710 166137353 /nfs/dbraw/zinc/13/73/53/166137353.db2.gz WHEDCHDDYJJVHK-NSHDSACASA-N 1 0 248.334 -0.088 20 30 BBEDRO C=CCNC(=O)C[N@H+](C)CCCCO ZINC000276327564 166367045 /nfs/dbraw/zinc/36/70/45/166367045.db2.gz FIFLCSDFLWSUOM-UHFFFAOYSA-N 1 0 200.282 -0.007 20 30 BBEDRO C=CCC[N@@H+](C)CC(=O)NCC(=O)OC ZINC000276355352 166257472 /nfs/dbraw/zinc/25/74/72/166257472.db2.gz DZYJFWJBAHYCSE-UHFFFAOYSA-N 1 0 214.265 -0.217 20 30 BBEDRO N#Cc1ccc(C[N@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000276408640 181106261 /nfs/dbraw/zinc/10/62/61/181106261.db2.gz GQPYEJWPUYJDCW-CYBMUJFWSA-N 1 0 245.282 -0.020 20 30 BBEDRO N#Cc1ccc(C[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000276408647 181106141 /nfs/dbraw/zinc/10/61/41/181106141.db2.gz GQPYEJWPUYJDCW-ZDUSSCGKSA-N 1 0 245.282 -0.020 20 30 BBEDRO C=CCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000276490991 166256758 /nfs/dbraw/zinc/25/67/58/166256758.db2.gz URZVRQJDOWUZPT-UHFFFAOYSA-N 1 0 225.292 -0.547 20 30 BBEDRO C#CCN(C)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000276564491 166157710 /nfs/dbraw/zinc/15/77/10/166157710.db2.gz AAGNUJGNBVCVPU-NSHDSACASA-N 1 0 223.320 -0.286 20 30 BBEDRO C#CCN(C)[C@@H](C)C(=O)NCC(=O)OC ZINC000277010815 387528489 /nfs/dbraw/zinc/52/84/89/387528489.db2.gz PMKKUSIGWIQPCF-QMMMGPOBSA-N 1 0 212.249 -0.771 20 30 BBEDRO C#CCN(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000277063853 387527966 /nfs/dbraw/zinc/52/79/66/387527966.db2.gz WLPKUJXDNCVTDS-UHFFFAOYSA-N 1 0 221.260 -0.851 20 30 BBEDRO CC#CC(=O)N[C@@H](C)CN1CCOCC1 ZINC000277268746 387529974 /nfs/dbraw/zinc/52/99/74/387529974.db2.gz BEIICTSQIRDOOO-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO CC#CC(=O)N[C@H](C)CN1CCOCC1 ZINC000277268749 387530057 /nfs/dbraw/zinc/53/00/57/387530057.db2.gz BEIICTSQIRDOOO-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C=C[C@](C)(O)CC(=O)NCC[NH+](C)C ZINC000278665657 187240121 /nfs/dbraw/zinc/24/01/21/187240121.db2.gz PNAOIKKNKUPKIE-JTQLQIEISA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH+](C)C ZINC000278665661 188094429 /nfs/dbraw/zinc/09/44/29/188094429.db2.gz PNAOIKKNKUPKIE-SNVBAGLBSA-N 1 0 200.282 -0.009 20 30 BBEDRO N#Cc1ccc([C@H](O)C[NH+]2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278816421 181130191 /nfs/dbraw/zinc/13/01/91/181130191.db2.gz PKTYRDPUQGXXLL-JHJVBQTASA-N 1 0 248.282 -0.371 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278876751 387556300 /nfs/dbraw/zinc/55/63/00/387556300.db2.gz MNUPDZBOWHUZIX-GWCFXTLKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278876753 387557159 /nfs/dbraw/zinc/55/71/59/387557159.db2.gz MNUPDZBOWHUZIX-GXFFZTMASA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278876755 387556440 /nfs/dbraw/zinc/55/64/40/387556440.db2.gz MNUPDZBOWHUZIX-MFKMUULPSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278876757 387556169 /nfs/dbraw/zinc/55/61/69/387556169.db2.gz MNUPDZBOWHUZIX-ZWNOBZJWSA-N 1 0 249.314 -0.664 20 30 BBEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000278928023 387559181 /nfs/dbraw/zinc/55/91/81/387559181.db2.gz SOGXDLMODVOKHN-PWSUYJOCSA-N 1 0 242.319 -0.240 20 30 BBEDRO C#CC(C)(C)N(C)CC(=O)NC(=O)NC ZINC000279233832 166109704 /nfs/dbraw/zinc/10/97/04/166109704.db2.gz JKQJARVKZVHANG-UHFFFAOYSA-N 1 0 211.265 -0.214 20 30 BBEDRO C#CC(C)(C)[N@H+](C)CCN1C(=O)CNC1=O ZINC000279378814 166110206 /nfs/dbraw/zinc/11/02/06/166110206.db2.gz XQVDZIKSNIMROC-UHFFFAOYSA-N 1 0 223.276 -0.118 20 30 BBEDRO C#CCCS(=O)(=O)NCC[NH+](C)C ZINC000279463206 643035885 /nfs/dbraw/zinc/03/58/85/643035885.db2.gz MHAJHWZBBOPZFU-UHFFFAOYSA-N 1 0 204.295 -0.509 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279659514 188095359 /nfs/dbraw/zinc/09/53/59/188095359.db2.gz CMNVMKOERUARNE-NXEZZACHSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279659515 188095531 /nfs/dbraw/zinc/09/55/31/188095531.db2.gz CMNVMKOERUARNE-UWVGGRQHSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279659516 187241267 /nfs/dbraw/zinc/24/12/67/187241267.db2.gz CMNVMKOERUARNE-VHSXEESVSA-N 1 0 224.304 -0.173 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279865773 166368775 /nfs/dbraw/zinc/36/87/75/166368775.db2.gz SWOOATWAITXFEY-SECBINFHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279865775 166368941 /nfs/dbraw/zinc/36/89/41/166368941.db2.gz SWOOATWAITXFEY-VIFPVBQESA-N 1 0 212.293 -0.009 20 30 BBEDRO CNC(NCC(=O)NCC(F)F)=[NH+]C ZINC000279948885 135369367 /nfs/dbraw/zinc/36/93/67/135369367.db2.gz BBOALZJJIURSTH-UHFFFAOYSA-N 1 0 208.212 -0.838 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(=O)NCC(F)F ZINC000279959993 323151613 /nfs/dbraw/zinc/15/16/13/323151613.db2.gz CCHNEHZQDDCJCY-UHFFFAOYSA-N 1 0 234.250 -0.152 20 30 BBEDRO CCNC(=[NH2+])NCC(=O)NCC(F)F ZINC000280109014 135369261 /nfs/dbraw/zinc/36/92/61/135369261.db2.gz VKQUDWSWPIWQEH-UHFFFAOYSA-N 1 0 208.212 -0.708 20 30 BBEDRO C=CCNC(=[NH2+])NCC(=O)NCC(F)F ZINC000280133293 133555561 /nfs/dbraw/zinc/55/55/61/133555561.db2.gz YFFSAQIXQBDYFV-UHFFFAOYSA-N 1 0 220.223 -0.542 20 30 BBEDRO C#CC[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280726270 386369966 /nfs/dbraw/zinc/36/99/66/386369966.db2.gz COPDBTLXBXUDLJ-UHFFFAOYSA-N 1 0 206.249 -0.089 20 30 BBEDRO C#CCN(CC#C)CCC(=O)OC[C@@H](C)O ZINC000280777491 386373502 /nfs/dbraw/zinc/37/35/02/386373502.db2.gz AVJOWXXKWCMKBU-LLVKDONJSA-N 1 0 223.272 -0.131 20 30 BBEDRO C#CCN(CC#C)CCC(=O)OC[C@H](C)O ZINC000280777494 386374902 /nfs/dbraw/zinc/37/49/02/386374902.db2.gz AVJOWXXKWCMKBU-NSHDSACASA-N 1 0 223.272 -0.131 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280794756 135500031 /nfs/dbraw/zinc/50/00/31/135500031.db2.gz RKDORSXJHJOHAX-BXKDBHETSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280794760 386374282 /nfs/dbraw/zinc/37/42/82/386374282.db2.gz RKDORSXJHJOHAX-CABZTGNLSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280794767 386372975 /nfs/dbraw/zinc/37/29/75/386372975.db2.gz RKDORSXJHJOHAX-JOYOIKCWSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280794773 386374845 /nfs/dbraw/zinc/37/48/45/386374845.db2.gz RKDORSXJHJOHAX-SKDRFNHKSA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280823675 386374610 /nfs/dbraw/zinc/37/46/10/386374610.db2.gz VCOXEHLRZGDADX-BXKDBHETSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280823680 386377376 /nfs/dbraw/zinc/37/73/76/386377376.db2.gz VCOXEHLRZGDADX-JOYOIKCWSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280823683 386376462 /nfs/dbraw/zinc/37/64/62/386376462.db2.gz VCOXEHLRZGDADX-SKDRFNHKSA-N 1 0 237.303 -0.678 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000280996236 353432593 /nfs/dbraw/zinc/43/25/93/353432593.db2.gz MFWCZTYIPGUICA-NEPJUHHUSA-N 1 0 244.335 -0.258 20 30 BBEDRO C=C[C@](C)(O)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000280996240 353432633 /nfs/dbraw/zinc/43/26/33/353432633.db2.gz MFWCZTYIPGUICA-NWDGAFQWSA-N 1 0 244.335 -0.258 20 30 BBEDRO C=C[C@](C)(O)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000280996246 353432645 /nfs/dbraw/zinc/43/26/45/353432645.db2.gz MFWCZTYIPGUICA-RYUDHWBXSA-N 1 0 244.335 -0.258 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000280996252 353432822 /nfs/dbraw/zinc/43/28/22/353432822.db2.gz MFWCZTYIPGUICA-VXGBXAGGSA-N 1 0 244.335 -0.258 20 30 BBEDRO C=CCN1CC[C@@H]([N@H+](C)CCOCCO)C1=O ZINC000281184176 353437472 /nfs/dbraw/zinc/43/74/72/353437472.db2.gz BDXYKHPNPOIGPH-LLVKDONJSA-N 1 0 242.319 -0.286 20 30 BBEDRO C=CCN1CC[C@H]([N@H+](C)CCOCCO)C1=O ZINC000281184178 353437481 /nfs/dbraw/zinc/43/74/81/353437481.db2.gz BDXYKHPNPOIGPH-NSHDSACASA-N 1 0 242.319 -0.286 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000281193783 353437949 /nfs/dbraw/zinc/43/79/49/353437949.db2.gz RMZPQXGZLJPPQW-GFCCVEGCSA-N 1 0 239.319 -0.253 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000281193787 353437357 /nfs/dbraw/zinc/43/73/57/353437357.db2.gz RMZPQXGZLJPPQW-LBPRGKRZSA-N 1 0 239.319 -0.253 20 30 BBEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1=O ZINC000281268509 353439889 /nfs/dbraw/zinc/43/98/89/353439889.db2.gz HVPRWVVMEVTYJK-GHMZBOCLSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COC)C1=O ZINC000281268513 351885183 /nfs/dbraw/zinc/88/51/83/351885183.db2.gz HVPRWVVMEVTYJK-MNOVXSKESA-N 1 0 242.319 -0.288 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COC)C1=O ZINC000281268517 353440159 /nfs/dbraw/zinc/44/01/59/353440159.db2.gz HVPRWVVMEVTYJK-QWRGUYRKSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C1=O ZINC000281268522 353440337 /nfs/dbraw/zinc/44/03/37/353440337.db2.gz HVPRWVVMEVTYJK-WDEREUQCSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=CCN1CC[C@@H]([N@H+](C)CCC(N)=O)C1=O ZINC000281301749 353441210 /nfs/dbraw/zinc/44/12/10/353441210.db2.gz JZKRUZNJJDCWKK-SECBINFHSA-N 1 0 225.292 -0.420 20 30 BBEDRO C=CCN1CC[C@H]([N@H+](C)CCC(N)=O)C1=O ZINC000281301755 353441677 /nfs/dbraw/zinc/44/16/77/353441677.db2.gz JZKRUZNJJDCWKK-VIFPVBQESA-N 1 0 225.292 -0.420 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CCCO ZINC000281785528 166382437 /nfs/dbraw/zinc/38/24/37/166382437.db2.gz JLMFJPLQIHIFJO-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CCCO ZINC000281785531 166386745 /nfs/dbraw/zinc/38/67/45/166386745.db2.gz JLMFJPLQIHIFJO-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCN1CC[C@H]([NH+](CCO)CCO)C1=O ZINC000281897308 135512827 /nfs/dbraw/zinc/51/28/27/135512827.db2.gz FHISSWIGADKFJE-JTQLQIEISA-N 1 0 228.292 -0.940 20 30 BBEDRO C=CCN1CC[C@@H]([NH+](CCO)CCO)C1=O ZINC000281897313 353456393 /nfs/dbraw/zinc/45/63/93/353456393.db2.gz FHISSWIGADKFJE-SNVBAGLBSA-N 1 0 228.292 -0.940 20 30 BBEDRO C=CCN1CC[C@@H]([N@@H+](CCO)CCCO)C1=O ZINC000281914613 353467619 /nfs/dbraw/zinc/46/76/19/353467619.db2.gz GUHVMKOBZLLEFF-LLVKDONJSA-N 1 0 242.319 -0.550 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+](CCO)CCCO)C1=O ZINC000281914616 353467572 /nfs/dbraw/zinc/46/75/72/353467572.db2.gz GUHVMKOBZLLEFF-NSHDSACASA-N 1 0 242.319 -0.550 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCO ZINC000281989888 353459309 /nfs/dbraw/zinc/45/93/09/353459309.db2.gz WUHLASGUTYCOCP-SECBINFHSA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCO ZINC000281989893 353460261 /nfs/dbraw/zinc/46/02/61/353460261.db2.gz WUHLASGUTYCOCP-VIFPVBQESA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCN1CC[C@@H](N(C)[C@@H]2CCNC2=O)C1=O ZINC000282024064 351920965 /nfs/dbraw/zinc/92/09/65/351920965.db2.gz PLMOPDCMRLKHAJ-NXEZZACHSA-N 1 0 237.303 -0.406 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+](C)CCC(=O)NC)C1=O ZINC000282054979 353461984 /nfs/dbraw/zinc/46/19/84/353461984.db2.gz RSQYQTNGJJAKFV-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)NC)C1=O ZINC000282054983 353461914 /nfs/dbraw/zinc/46/19/14/353461914.db2.gz RSQYQTNGJJAKFV-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1=O ZINC000282063183 353462630 /nfs/dbraw/zinc/46/26/30/353462630.db2.gz SFOGRXBHOWMXJJ-NXEZZACHSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1=O ZINC000282063191 353462608 /nfs/dbraw/zinc/46/26/08/353462608.db2.gz SFOGRXBHOWMXJJ-UWVGGRQHSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1=O ZINC000282063198 353462186 /nfs/dbraw/zinc/46/21/86/353462186.db2.gz SFOGRXBHOWMXJJ-VHSXEESVSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1=O ZINC000282063205 353461853 /nfs/dbraw/zinc/46/18/53/353461853.db2.gz SFOGRXBHOWMXJJ-ZJUUUORDSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=CCNC(=O)C[N@H+](CC)CCOCCO ZINC000282081693 353462707 /nfs/dbraw/zinc/46/27/07/353462707.db2.gz OCVCAUFRUSRIOJ-UHFFFAOYSA-N 1 0 230.308 -0.381 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCOCCO ZINC000282197568 353465300 /nfs/dbraw/zinc/46/53/00/353465300.db2.gz WZEAGBFFJOUAAD-LLVKDONJSA-N 1 0 242.319 -0.545 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)CCOCCO ZINC000282197573 135370592 /nfs/dbraw/zinc/37/05/92/135370592.db2.gz WZEAGBFFJOUAAD-NSHDSACASA-N 1 0 242.319 -0.545 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CCOCCO ZINC000282268175 166386508 /nfs/dbraw/zinc/38/65/08/166386508.db2.gz DDSQNVDCZADDOZ-JTQLQIEISA-N 1 0 230.308 -0.382 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CCOCCO ZINC000282268176 166382609 /nfs/dbraw/zinc/38/26/09/166382609.db2.gz DDSQNVDCZADDOZ-SNVBAGLBSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=CCNC(=O)CN(CC)[C@H]1CCNC1=O ZINC000282434920 353471089 /nfs/dbraw/zinc/47/10/89/353471089.db2.gz RNEWRYNRTIOKPG-VIFPVBQESA-N 1 0 225.292 -0.501 20 30 BBEDRO C#CC[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000282563740 353476299 /nfs/dbraw/zinc/47/62/99/353476299.db2.gz UKUHHVJSSFENNJ-UHFFFAOYSA-N 1 0 223.320 -0.285 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCOCCO ZINC000282646414 166183682 /nfs/dbraw/zinc/18/36/82/166183682.db2.gz ZTDNYCKUGRZBKH-JTQLQIEISA-N 1 0 228.292 -0.935 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCOCCO ZINC000282646415 166180755 /nfs/dbraw/zinc/18/07/55/166180755.db2.gz ZTDNYCKUGRZBKH-SNVBAGLBSA-N 1 0 228.292 -0.935 20 30 BBEDRO CC#CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000282661836 353481123 /nfs/dbraw/zinc/48/11/23/353481123.db2.gz IEGZOLKKILQZMN-UHFFFAOYSA-N 1 0 237.303 -0.758 20 30 BBEDRO CC[N@H+](CC(=O)NCC#CCO)C1CC1 ZINC000282910153 353486886 /nfs/dbraw/zinc/48/68/86/353486886.db2.gz MQPXMKFKKOWBOR-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO CC#CC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000283045997 353490154 /nfs/dbraw/zinc/49/01/54/353490154.db2.gz BMUGEVTWMANRSR-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO CC#CC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000283047788 351956289 /nfs/dbraw/zinc/95/62/89/351956289.db2.gz BMUGEVTWMANRSR-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO CCNC(=[NH2+])NCc1cnn(CCOC)c1 ZINC000283979067 351988283 /nfs/dbraw/zinc/98/82/83/351988283.db2.gz XVQPDZOOWVZBIR-UHFFFAOYSA-N 1 0 225.296 -0.046 20 30 BBEDRO C#CC[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000284287014 353511079 /nfs/dbraw/zinc/51/10/79/353511079.db2.gz NSLPZAPWEXXBFC-UHFFFAOYSA-N 1 0 247.302 -0.166 20 30 BBEDRO CC#CCC[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000284664587 353519196 /nfs/dbraw/zinc/51/91/96/353519196.db2.gz OBXOQRNFWUUYLZ-UWVGGRQHSA-N 1 0 210.277 -0.026 20 30 BBEDRO NC(=O)[C@]1(O)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000284858520 359315859 /nfs/dbraw/zinc/31/58/59/359315859.db2.gz DBOURZLJKPTBCY-AWEZNQCLSA-N 1 0 244.294 -0.040 20 30 BBEDRO NC(=O)[C@@]1(O)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000284858525 359315759 /nfs/dbraw/zinc/31/57/59/359315759.db2.gz DBOURZLJKPTBCY-CQSZACIVSA-N 1 0 244.294 -0.040 20 30 BBEDRO C=CCN(C)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000284977654 353519282 /nfs/dbraw/zinc/51/92/82/353519282.db2.gz KXWNRZMRFVREQE-UHFFFAOYSA-N 1 0 239.319 -0.159 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCn2cc([N+](=O)[O-])cn2)N1 ZINC000285020314 136287195 /nfs/dbraw/zinc/28/71/95/136287195.db2.gz JDADNZCRXPIYES-SSDOTTSWSA-N 1 0 238.251 -0.271 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCn2cc([N+](=O)[O-])cn2)N1 ZINC000285020317 136287215 /nfs/dbraw/zinc/28/72/15/136287215.db2.gz JDADNZCRXPIYES-ZETCQYMHSA-N 1 0 238.251 -0.271 20 30 BBEDRO CCCCNC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000285020337 136287293 /nfs/dbraw/zinc/28/72/93/136287293.db2.gz JDLXHLIJWFNSJW-UHFFFAOYSA-N 1 0 235.295 -0.146 20 30 BBEDRO CCNC(NCCn1cnc(C#N)n1)=[NH+]CC ZINC000285030686 535786973 /nfs/dbraw/zinc/78/69/73/535786973.db2.gz JUEYHWZWANQWCZ-UHFFFAOYSA-N 1 0 235.295 -0.275 20 30 BBEDRO CN(C)C(=[NH+]CCn1cnc(C#N)n1)N(C)C ZINC000285102340 352022398 /nfs/dbraw/zinc/02/23/98/352022398.db2.gz OQYBBYPWJGNUKJ-UHFFFAOYSA-N 1 0 235.295 -0.371 20 30 BBEDRO CN1CC[NH+]=C1NCCn1cc([N+](=O)[O-])cn1 ZINC000285148173 133563408 /nfs/dbraw/zinc/56/34/08/133563408.db2.gz RPANYFMGKWUMNH-UHFFFAOYSA-N 1 0 238.251 -0.318 20 30 BBEDRO CCn1cc(CNC(=[NH2+])NCCOC)cn1 ZINC000285161674 352025390 /nfs/dbraw/zinc/02/53/90/352025390.db2.gz SMXDCQDUEVWYTP-UHFFFAOYSA-N 1 0 225.296 -0.046 20 30 BBEDRO CN(C)c1ncc(CNC2=[NH+]CCN2C)n1C ZINC000285176488 352027173 /nfs/dbraw/zinc/02/71/73/352027173.db2.gz UITRXBYMBWLIRJ-UHFFFAOYSA-N 1 0 236.323 -0.123 20 30 BBEDRO CC#CCCN1CCO[C@H](C)[C@H]1C(N)=O ZINC000285193928 352027905 /nfs/dbraw/zinc/02/79/05/352027905.db2.gz NSACLNVFGWMDAZ-ZJUUUORDSA-N 1 0 210.277 -0.026 20 30 BBEDRO NC(=[NH2+])NCCn1cc(Br)cn1 ZINC000285207491 135555267 /nfs/dbraw/zinc/55/52/67/135555267.db2.gz WJZZMENIDRRZOH-UHFFFAOYSA-N 1 0 232.085 -0.081 20 30 BBEDRO C=CCN(C)CCS(=O)(=O)N(C)C ZINC000285384102 353541251 /nfs/dbraw/zinc/54/12/51/353541251.db2.gz SFRGNDRZDMADRY-UHFFFAOYSA-N 1 0 206.311 -0.004 20 30 BBEDRO CCN(CCC#N)C(=O)C[N@H+](C)CCC(N)=O ZINC000285392389 352041146 /nfs/dbraw/zinc/04/11/46/352041146.db2.gz AJCNIXOBYIVXFD-UHFFFAOYSA-N 1 0 240.307 -0.444 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286040067 353555489 /nfs/dbraw/zinc/55/54/89/353555489.db2.gz DTJUHFYPZLAENE-RKDXNWHRSA-N 1 0 225.292 -0.658 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CCC(N)=O ZINC000286356840 353559482 /nfs/dbraw/zinc/55/94/82/353559482.db2.gz HGAZIDPZEYNNSY-MRVPVSSYSA-N 1 0 213.281 -0.516 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CCC(N)=O ZINC000286356844 353559598 /nfs/dbraw/zinc/55/95/98/353559598.db2.gz HGAZIDPZEYNNSY-QMMMGPOBSA-N 1 0 213.281 -0.516 20 30 BBEDRO C[NH+](C)CCNS(=O)(=O)c1ccc(C#N)o1 ZINC000286387968 384298971 /nfs/dbraw/zinc/29/89/71/384298971.db2.gz DOHSHFOIJBMTPL-UHFFFAOYSA-N 1 0 243.288 -0.009 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286392980 353559916 /nfs/dbraw/zinc/55/99/16/353559916.db2.gz ZYGAWKADUOLAGG-CMPLNLGQSA-N 1 0 242.319 -0.374 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286392983 353560463 /nfs/dbraw/zinc/56/04/63/353560463.db2.gz ZYGAWKADUOLAGG-JQWIXIFHSA-N 1 0 242.319 -0.374 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286392987 353560184 /nfs/dbraw/zinc/56/01/84/353560184.db2.gz ZYGAWKADUOLAGG-PWSUYJOCSA-N 1 0 242.319 -0.374 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286392991 353560443 /nfs/dbraw/zinc/56/04/43/353560443.db2.gz ZYGAWKADUOLAGG-ZYHUDNBSSA-N 1 0 242.319 -0.374 20 30 BBEDRO C=CCN(CC=C)C(=O)C[N@H+](C)CCC(N)=O ZINC000286633214 353563887 /nfs/dbraw/zinc/56/38/87/353563887.db2.gz YKXVRACSIHZHEE-UHFFFAOYSA-N 1 0 239.319 -0.006 20 30 BBEDRO C=CCNC(=[NH2+])NCC(C)(C)OCCO ZINC000287270313 386109039 /nfs/dbraw/zinc/10/90/39/386109039.db2.gz QUMMIOKYOIKECV-UHFFFAOYSA-N 1 0 215.297 -0.136 20 30 BBEDRO CC(C)CNC(=[NH2+])NCc1cnnn1C ZINC000287301996 535064807 /nfs/dbraw/zinc/06/48/07/535064807.db2.gz SZTASXIPKZBGMN-UHFFFAOYSA-N 1 0 210.285 -0.125 20 30 BBEDRO C=CCNC(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287306134 352121119 /nfs/dbraw/zinc/12/11/19/352121119.db2.gz JGYHVHZSIHWFNA-NXEZZACHSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=CCNC(=O)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000288077470 353591271 /nfs/dbraw/zinc/59/12/71/353591271.db2.gz RMXYHZIZLLITSH-VIFPVBQESA-N 1 0 242.323 -0.462 20 30 BBEDRO C=CCNC(=[NH2+])NCCS(=O)(=O)C(C)C ZINC000288764540 352164450 /nfs/dbraw/zinc/16/44/50/352164450.db2.gz SYDDPIIHNHJBLO-UHFFFAOYSA-N 1 0 233.337 -0.100 20 30 BBEDRO CO/N=C/C(=O)NCC[N@H+]1CC=CCC1 ZINC000289282717 352178531 /nfs/dbraw/zinc/17/85/31/352178531.db2.gz FSMKMXYKGMGSCE-FMIVXFBMSA-N 1 0 211.265 -0.003 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000289284961 166370674 /nfs/dbraw/zinc/37/06/74/166370674.db2.gz GOEIDWVQABQUOP-LLVKDONJSA-N 1 0 227.308 -0.222 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000289284970 166371041 /nfs/dbraw/zinc/37/10/41/166371041.db2.gz GOEIDWVQABQUOP-NSHDSACASA-N 1 0 227.308 -0.222 20 30 BBEDRO C#C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C(C)C ZINC000289350190 353613608 /nfs/dbraw/zinc/61/36/08/353613608.db2.gz IZWOHKVJSFPLQW-LLVKDONJSA-N 1 0 249.314 -0.169 20 30 BBEDRO C#C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C(C)C ZINC000289350192 353613743 /nfs/dbraw/zinc/61/37/43/353613743.db2.gz IZWOHKVJSFPLQW-NSHDSACASA-N 1 0 249.314 -0.169 20 30 BBEDRO C#CCC[NH+]1CCN(Cc2cnn(C)n2)CC1 ZINC000289367989 352182308 /nfs/dbraw/zinc/18/23/08/352182308.db2.gz NVSBGADAIJBREU-UHFFFAOYSA-N 1 0 233.319 -0.044 20 30 BBEDRO C#CCN(CC#N)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289374613 352182986 /nfs/dbraw/zinc/18/29/86/352182986.db2.gz KMPLZWVYOGAXBP-GFCCVEGCSA-N 1 0 221.304 -0.100 20 30 BBEDRO C#CCN(CC#N)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289374614 352183054 /nfs/dbraw/zinc/18/30/54/352183054.db2.gz KMPLZWVYOGAXBP-LBPRGKRZSA-N 1 0 221.304 -0.100 20 30 BBEDRO C#CCC[NH+]1CCN(Cc2cnnn2C)CC1 ZINC000289417552 353628650 /nfs/dbraw/zinc/62/86/50/353628650.db2.gz VVDCFQUCNLGMGI-UHFFFAOYSA-N 1 0 233.319 -0.044 20 30 BBEDRO CO/N=C/C(=O)NCC1=CC[N@H+](C)CC1 ZINC000289536269 352189964 /nfs/dbraw/zinc/18/99/64/352189964.db2.gz WMKNQBZRXSREHN-XYOKQWHBSA-N 1 0 211.265 -0.003 20 30 BBEDRO C=C[C@@H](CO)[NH2+][C@H](C)CC(=O)N(C)C ZINC000289593858 206028194 /nfs/dbraw/zinc/02/81/94/206028194.db2.gz CEQSQHIKCYJXKL-BDAKNGLRSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000289593861 206028142 /nfs/dbraw/zinc/02/81/42/206028142.db2.gz CEQSQHIKCYJXKL-DTWKUNHWSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000289593864 206028248 /nfs/dbraw/zinc/02/82/48/206028248.db2.gz CEQSQHIKCYJXKL-IUCAKERBSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)CC(=O)N(C)C ZINC000289593867 206028155 /nfs/dbraw/zinc/02/81/55/206028155.db2.gz CEQSQHIKCYJXKL-RKDXNWHRSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=CCN1CC[C@@H]([N@@H+](CCO)C[C@@H](C)O)C1=O ZINC000289867825 353640314 /nfs/dbraw/zinc/64/03/14/353640314.db2.gz QREAQVQLXUZFQQ-GHMZBOCLSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+](CCO)C[C@@H](C)O)C1=O ZINC000289867835 353640780 /nfs/dbraw/zinc/64/07/80/353640780.db2.gz QREAQVQLXUZFQQ-MNOVXSKESA-N 1 0 242.319 -0.552 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+](CCO)C[C@H](C)O)C1=O ZINC000289867844 353640618 /nfs/dbraw/zinc/64/06/18/353640618.db2.gz QREAQVQLXUZFQQ-QWRGUYRKSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=CCN1CC[C@@H]([N@@H+](CCO)C[C@H](C)O)C1=O ZINC000289867852 353640975 /nfs/dbraw/zinc/64/09/75/353640975.db2.gz QREAQVQLXUZFQQ-WDEREUQCSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000289927848 136375562 /nfs/dbraw/zinc/37/55/62/136375562.db2.gz OCCNOWJEOORRTR-NXEZZACHSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000290013211 136375520 /nfs/dbraw/zinc/37/55/20/136375520.db2.gz SIIBPOITCSMKJQ-SECBINFHSA-N 1 0 225.292 -0.596 20 30 BBEDRO C=CCN1CC[C@H]([NH2+][C@H]2COC[C@@H]2OC)C1=O ZINC000290117137 353649052 /nfs/dbraw/zinc/64/90/52/353649052.db2.gz KJSIVYPHWZDKPM-DCAQKATOSA-N 1 0 240.303 -0.223 20 30 BBEDRO C=CCN1CC[C@@H]([NH2+][C@H]2COC[C@@H]2OC)C1=O ZINC000290118155 353649277 /nfs/dbraw/zinc/64/92/77/353649277.db2.gz KJSIVYPHWZDKPM-VWYCJHECSA-N 1 0 240.303 -0.223 20 30 BBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1COC[C@@H]1OC ZINC000290237098 166388137 /nfs/dbraw/zinc/38/81/37/166388137.db2.gz YRFULGLDTGYHEO-GUBZILKMSA-N 1 0 228.292 -0.320 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1COC[C@@H]1OC ZINC000290237102 166383153 /nfs/dbraw/zinc/38/31/53/166383153.db2.gz YRFULGLDTGYHEO-UTLUCORTSA-N 1 0 228.292 -0.320 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1COC[C@@H]1OC ZINC000290240917 166369625 /nfs/dbraw/zinc/36/96/25/166369625.db2.gz YZPYLXFDHBRVIT-IUCAKERBSA-N 1 0 214.265 -0.708 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000290476924 353655852 /nfs/dbraw/zinc/65/58/52/353655852.db2.gz DMOLZXQXUIWBQQ-BDAKNGLRSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC000290476926 352226649 /nfs/dbraw/zinc/22/66/49/352226649.db2.gz DMOLZXQXUIWBQQ-DTWKUNHWSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000290476927 353656137 /nfs/dbraw/zinc/65/61/37/353656137.db2.gz DMOLZXQXUIWBQQ-IUCAKERBSA-N 1 0 200.282 -0.010 20 30 BBEDRO COc1ccc(CNC(N)=[NH2+])c(OC)n1 ZINC000290504542 352228133 /nfs/dbraw/zinc/22/81/33/352228133.db2.gz HZPLNRUTEYWCIC-UHFFFAOYSA-N 1 0 210.237 -0.128 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C=C)CO)CC1 ZINC000290632260 353665079 /nfs/dbraw/zinc/66/50/79/353665079.db2.gz PLILYSAUGADGCA-GFCCVEGCSA-N 1 0 236.315 -0.005 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C=C)CO)CC1 ZINC000290632261 353666264 /nfs/dbraw/zinc/66/62/64/353666264.db2.gz PLILYSAUGADGCA-LBPRGKRZSA-N 1 0 236.315 -0.005 20 30 BBEDRO C=C[C@H](CO)NC(=O)C[NH+](CC)CC ZINC000290635938 353666228 /nfs/dbraw/zinc/66/62/28/353666228.db2.gz PSAICEXICHPKKA-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@@H](CO)NC(=O)C[NH+](CC)CC ZINC000290635939 353666272 /nfs/dbraw/zinc/66/62/72/353666272.db2.gz PSAICEXICHPKKA-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCS(=O)(=O)N(C)C ZINC000290675533 352234891 /nfs/dbraw/zinc/23/48/91/352234891.db2.gz PMBKIEONBFKXOA-UHFFFAOYSA-N 1 0 248.352 -0.642 20 30 BBEDRO C=C[C@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC000290677970 353666913 /nfs/dbraw/zinc/66/69/13/353666913.db2.gz TTZKACQLJWQRJH-SECBINFHSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC000290677972 353666430 /nfs/dbraw/zinc/66/64/30/353666430.db2.gz TTZKACQLJWQRJH-VIFPVBQESA-N 1 0 200.282 -0.010 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCCc1cn[nH]c1 ZINC000290686482 352236559 /nfs/dbraw/zinc/23/65/59/352236559.db2.gz QPTNYZKAYZJIDB-MRVPVSSYSA-N 1 0 225.296 -0.109 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCc1cn[nH]c1 ZINC000290686485 352236439 /nfs/dbraw/zinc/23/64/39/352236439.db2.gz QPTNYZKAYZJIDB-QMMMGPOBSA-N 1 0 225.296 -0.109 20 30 BBEDRO [NH2+]=C(NCCc1cn[nH]c1)N1CCOCC1 ZINC000290718943 133571602 /nfs/dbraw/zinc/57/16/02/133571602.db2.gz UTTCRDGUKVQIRF-UHFFFAOYSA-N 1 0 223.280 -0.401 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000290732206 353668795 /nfs/dbraw/zinc/66/87/95/353668795.db2.gz YUCRJMVPHFYUDE-GHMZBOCLSA-N 1 0 242.319 -0.382 20 30 BBEDRO C=C[C@@H](CO)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000290732207 353669446 /nfs/dbraw/zinc/66/94/46/353669446.db2.gz YUCRJMVPHFYUDE-MNOVXSKESA-N 1 0 242.319 -0.382 20 30 BBEDRO C=C[C@@H](CO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000290732210 534529108 /nfs/dbraw/zinc/52/91/08/534529108.db2.gz YUCRJMVPHFYUDE-QWRGUYRKSA-N 1 0 242.319 -0.382 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000290732212 353669165 /nfs/dbraw/zinc/66/91/65/353669165.db2.gz YUCRJMVPHFYUDE-WDEREUQCSA-N 1 0 242.319 -0.382 20 30 BBEDRO COCCNC(=[NH2+])NCCc1cn[nH]c1 ZINC000290753991 352239924 /nfs/dbraw/zinc/23/99/24/352239924.db2.gz YOFVPVAZZGRMHG-UHFFFAOYSA-N 1 0 211.269 -0.497 20 30 BBEDRO C=C[C@@H](CO)NC(=O)NCC[N@@H+](C)CCOC ZINC000290858235 353679868 /nfs/dbraw/zinc/67/98/68/353679868.db2.gz BCERPLWYXBLERG-JTQLQIEISA-N 1 0 245.323 -0.589 20 30 BBEDRO C=C[C@H](CO)NC(=O)NCC[N@@H+](C)CCOC ZINC000290858236 353679812 /nfs/dbraw/zinc/67/98/12/353679812.db2.gz BCERPLWYXBLERG-SNVBAGLBSA-N 1 0 245.323 -0.589 20 30 BBEDRO C#CCN(C)C(=O)NCC[N@@H+](C)CCOC ZINC000290866748 353674451 /nfs/dbraw/zinc/67/44/51/353674451.db2.gz BVNCXXJMCUYXGQ-UHFFFAOYSA-N 1 0 227.308 -0.161 20 30 BBEDRO C=C[C@@H](CO)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000290957034 398254728 /nfs/dbraw/zinc/25/47/28/398254728.db2.gz HHGJYILRTFJCLS-UWVGGRQHSA-N 1 0 243.307 -0.837 20 30 BBEDRO C=C[C@H](CO)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000290957036 398254578 /nfs/dbraw/zinc/25/45/78/398254578.db2.gz HHGJYILRTFJCLS-ZJUUUORDSA-N 1 0 243.307 -0.837 20 30 BBEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000290978019 353676902 /nfs/dbraw/zinc/67/69/02/353676902.db2.gz JHAGWOJSSXLKFW-LLVKDONJSA-N 1 0 239.319 -0.018 20 30 BBEDRO C#CCN(C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000290978021 353676731 /nfs/dbraw/zinc/67/67/31/353676731.db2.gz JHAGWOJSSXLKFW-NSHDSACASA-N 1 0 239.319 -0.018 20 30 BBEDRO C=C[C@H](CO)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000291061956 353674373 /nfs/dbraw/zinc/67/43/73/353674373.db2.gz RKESEMSRWKREHO-SECBINFHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@@H](CO)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000291061959 353678801 /nfs/dbraw/zinc/67/88/01/353678801.db2.gz RKESEMSRWKREHO-VIFPVBQESA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000291276895 353685311 /nfs/dbraw/zinc/68/53/11/353685311.db2.gz OHZPHTIZHNZMKC-DTWKUNHWSA-N 1 0 215.297 -0.217 20 30 BBEDRO C=C[C@@H](CO)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000291276898 353685087 /nfs/dbraw/zinc/68/50/87/353685087.db2.gz OHZPHTIZHNZMKC-IUCAKERBSA-N 1 0 215.297 -0.217 20 30 BBEDRO C=C[C@H](CO)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000291295696 353684833 /nfs/dbraw/zinc/68/48/33/353684833.db2.gz OPKJXNSZXBUTJC-NXEZZACHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@@H](CO)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000291295698 353685010 /nfs/dbraw/zinc/68/50/10/353685010.db2.gz OPKJXNSZXBUTJC-UWVGGRQHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@@H](CO)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000291295700 353685289 /nfs/dbraw/zinc/68/52/89/353685289.db2.gz OPKJXNSZXBUTJC-VHSXEESVSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@H](CO)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000291295701 353684987 /nfs/dbraw/zinc/68/49/87/353684987.db2.gz OPKJXNSZXBUTJC-ZJUUUORDSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@@H](CO)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000291656544 534540271 /nfs/dbraw/zinc/54/02/71/534540271.db2.gz VAZNATUGCORJNO-JTQLQIEISA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](CO)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000291656546 135649517 /nfs/dbraw/zinc/64/95/17/135649517.db2.gz VAZNATUGCORJNO-SNVBAGLBSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@@H](OC)C(=O)OC ZINC000291954076 136289038 /nfs/dbraw/zinc/28/90/38/136289038.db2.gz QSMBEPZEBDDGER-MRVPVSSYSA-N 1 0 229.280 -0.345 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@H](OC)C(=O)OC ZINC000291954078 533511022 /nfs/dbraw/zinc/51/10/22/533511022.db2.gz QSMBEPZEBDDGER-QMMMGPOBSA-N 1 0 229.280 -0.345 20 30 BBEDRO CCNC(=[NH2+])NC[C@H](OC)C(=O)OC ZINC000291993993 352297611 /nfs/dbraw/zinc/29/76/11/352297611.db2.gz WQNVVHIZRGLXJC-LURJTMIESA-N 1 0 203.242 -0.901 20 30 BBEDRO CCNC(=[NH2+])NC[C@@H](OC)C(=O)OC ZINC000291993995 352297503 /nfs/dbraw/zinc/29/75/03/352297503.db2.gz WQNVVHIZRGLXJC-ZCFIWIBFSA-N 1 0 203.242 -0.901 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H](OC)C(=O)OC ZINC000292011437 352298302 /nfs/dbraw/zinc/29/83/02/352298302.db2.gz YTBBSXRRHSFPSN-SSDOTTSWSA-N 1 0 215.253 -0.735 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H](OC)C(=O)OC ZINC000292011441 352298262 /nfs/dbraw/zinc/29/82/62/352298262.db2.gz YTBBSXRRHSFPSN-ZETCQYMHSA-N 1 0 215.253 -0.735 20 30 BBEDRO C=C[C@H](CO)NC(=O)NC1CC[NH+](C)CC1 ZINC000292452578 353713921 /nfs/dbraw/zinc/71/39/21/353713921.db2.gz OPPYQXCFDRSZTA-SECBINFHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@@H](CO)NC(=O)NC1CC[NH+](C)CC1 ZINC000292452582 353714273 /nfs/dbraw/zinc/71/42/73/353714273.db2.gz OPPYQXCFDRSZTA-VIFPVBQESA-N 1 0 227.308 -0.073 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC[C@H](C)O ZINC000292679778 353719842 /nfs/dbraw/zinc/71/98/42/353719842.db2.gz BTKSCKSCAOPNLK-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC[C@@H](C)O ZINC000292679781 353719763 /nfs/dbraw/zinc/71/97/63/353719763.db2.gz BTKSCKSCAOPNLK-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC(C)(CO)CO ZINC000292682097 353720652 /nfs/dbraw/zinc/72/06/52/353720652.db2.gz BWNBAJZKIAXABB-UHFFFAOYSA-N 1 0 242.319 -0.951 20 30 BBEDRO C#CCNC(=O)CC[N@H+](CC)CCCO ZINC000292737963 353722972 /nfs/dbraw/zinc/72/29/72/353722972.db2.gz HBXDEKHSQYDPCJ-UHFFFAOYSA-N 1 0 212.293 -0.170 20 30 BBEDRO C#CC[N@H+](C)CCCNc1ccc(C(N)=O)nn1 ZINC000292754367 533110084 /nfs/dbraw/zinc/11/00/84/533110084.db2.gz JWULVSUGXAORTO-UHFFFAOYSA-N 1 0 247.302 -0.058 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CCO)CCCOC ZINC000292760163 353723628 /nfs/dbraw/zinc/72/36/28/353723628.db2.gz ABDMKVMFTLVJFJ-UHFFFAOYSA-N 1 0 242.319 -0.543 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@](C)(O)C1 ZINC000292848554 533164038 /nfs/dbraw/zinc/16/40/38/533164038.db2.gz QFBGBQHVJZPHMQ-LLVKDONJSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@](C)(O)C1 ZINC000292848557 353726884 /nfs/dbraw/zinc/72/68/84/353726884.db2.gz QFBGBQHVJZPHMQ-NSHDSACASA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H](C)C(=O)NC ZINC000292854365 353727029 /nfs/dbraw/zinc/72/70/29/353727029.db2.gz QWLMPOQXKBUBRH-JTQLQIEISA-N 1 0 239.319 -0.560 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000292854366 353726680 /nfs/dbraw/zinc/72/66/80/353726680.db2.gz QWLMPOQXKBUBRH-SNVBAGLBSA-N 1 0 239.319 -0.560 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](COC)C1 ZINC000292867264 353727823 /nfs/dbraw/zinc/72/78/23/353727823.db2.gz SDAMQCWJPDSGPA-LLVKDONJSA-N 1 0 240.303 -0.527 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@H](COC)C1 ZINC000292867265 353727112 /nfs/dbraw/zinc/72/71/12/353727112.db2.gz SDAMQCWJPDSGPA-NSHDSACASA-N 1 0 240.303 -0.527 20 30 BBEDRO C#CCNC(=O)CC[N@H+](CC(N)=O)C(C)(C)C ZINC000292870895 353727068 /nfs/dbraw/zinc/72/70/68/353727068.db2.gz SJWQVCOLHYZFDO-UHFFFAOYSA-N 1 0 239.319 -0.288 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@](C)(CCO)COC ZINC000292877503 353727700 /nfs/dbraw/zinc/72/77/00/353727700.db2.gz TUCXAQAQNPEXRK-GFCCVEGCSA-N 1 0 242.319 -0.497 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@](C)(CCO)COC ZINC000292877505 353727777 /nfs/dbraw/zinc/72/77/77/353727777.db2.gz TUCXAQAQNPEXRK-LBPRGKRZSA-N 1 0 242.319 -0.497 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000292908302 353728885 /nfs/dbraw/zinc/72/88/85/353728885.db2.gz WQACIISNXQXQKF-JTQLQIEISA-N 1 0 239.319 -0.385 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000292908303 353728847 /nfs/dbraw/zinc/72/88/47/353728847.db2.gz WQACIISNXQXQKF-SNVBAGLBSA-N 1 0 239.319 -0.385 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CCC(C)(O)CC1 ZINC000292914746 533162019 /nfs/dbraw/zinc/16/20/19/533162019.db2.gz XLGQSGQFFKPODJ-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@](F)(CO)C1 ZINC000292941099 353730417 /nfs/dbraw/zinc/73/04/17/353730417.db2.gz AEYHTMSSIFSVJL-GFCCVEGCSA-N 1 0 242.294 -0.078 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@](F)(CO)C1 ZINC000292941103 353730218 /nfs/dbraw/zinc/73/02/18/353730218.db2.gz AEYHTMSSIFSVJL-LBPRGKRZSA-N 1 0 242.294 -0.078 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CCO)CCOC ZINC000292947039 352334134 /nfs/dbraw/zinc/33/41/34/352334134.db2.gz BUEUINZGCBXDPO-UHFFFAOYSA-N 1 0 228.292 -0.933 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC(=O)N(C)C ZINC000292947643 352334248 /nfs/dbraw/zinc/33/42/48/352334248.db2.gz BJDJEGXSSXCYQK-UHFFFAOYSA-N 1 0 225.292 -0.854 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000292951817 353730410 /nfs/dbraw/zinc/73/04/10/353730410.db2.gz BZICMGRQQLKSLM-JTQLQIEISA-N 1 0 237.303 -0.712 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000292951820 353730458 /nfs/dbraw/zinc/73/04/58/353730458.db2.gz BZICMGRQQLKSLM-SNVBAGLBSA-N 1 0 237.303 -0.712 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1CCOC1 ZINC000292952104 353730422 /nfs/dbraw/zinc/73/04/22/353730422.db2.gz CCOVVLWSVTUGLP-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CCOC1 ZINC000292952106 353730294 /nfs/dbraw/zinc/73/02/94/353730294.db2.gz CCOVVLWSVTUGLP-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CC[N@H+](C)CCn1cccn1 ZINC000293035963 353736258 /nfs/dbraw/zinc/73/62/58/353736258.db2.gz JKGJCLOKWXCVMH-UHFFFAOYSA-N 1 0 234.303 -0.046 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]1CO ZINC000293050254 353737035 /nfs/dbraw/zinc/73/70/35/353737035.db2.gz KNRFNBSSHPUYKL-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1CO ZINC000293050255 353737260 /nfs/dbraw/zinc/73/72/60/353737260.db2.gz KNRFNBSSHPUYKL-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)CCN1CCC[C@H]1C(=O)OC ZINC000293085178 353732382 /nfs/dbraw/zinc/73/23/82/353732382.db2.gz MROVRYWVNRVPNW-JTQLQIEISA-N 1 0 238.287 -0.237 20 30 BBEDRO C#CCNC(=O)CCN1CCC[C@@H]1C(=O)OC ZINC000293085179 353732331 /nfs/dbraw/zinc/73/23/31/353732331.db2.gz MROVRYWVNRVPNW-SNVBAGLBSA-N 1 0 238.287 -0.237 20 30 BBEDRO CC#CCN(C)[C@H](C)C(=O)NCC(=O)OC ZINC000293125903 353734926 /nfs/dbraw/zinc/73/49/26/353734926.db2.gz MOSSVYTXJNPJDP-SECBINFHSA-N 1 0 226.276 -0.381 20 30 BBEDRO CC#CCN(C)[C@@H](C)C(=O)NCC(=O)OC ZINC000293125906 136289295 /nfs/dbraw/zinc/28/92/95/136289295.db2.gz MOSSVYTXJNPJDP-VIFPVBQESA-N 1 0 226.276 -0.381 20 30 BBEDRO CC#CC[N@H+](C)CCCC(=O)NC(N)=O ZINC000293141959 398112438 /nfs/dbraw/zinc/11/24/38/398112438.db2.gz NMXVXEZZUGMNCF-UHFFFAOYSA-N 1 0 211.265 -0.083 20 30 BBEDRO CC#CC[N@H+](C)CCN1C(=O)CNC1=O ZINC000293153565 353734791 /nfs/dbraw/zinc/73/47/91/353734791.db2.gz OGLNGDPWIFXSHO-UHFFFAOYSA-N 1 0 209.249 -0.507 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CCC(=O)NC ZINC000293158149 353734704 /nfs/dbraw/zinc/73/47/04/353734704.db2.gz RIXWIQRQQKOZBZ-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO CC#CC[N@H+](C)CCCN1C(=O)CNC1=O ZINC000293204345 136229851 /nfs/dbraw/zinc/22/98/51/136229851.db2.gz QYPHGTRQMAOGSZ-UHFFFAOYSA-N 1 0 223.276 -0.117 20 30 BBEDRO CC#CC[N@H+](C)CCCS(N)(=O)=O ZINC000293218870 135377274 /nfs/dbraw/zinc/37/72/74/135377274.db2.gz ROOKPDPBEKJMMO-UHFFFAOYSA-N 1 0 204.295 -0.380 20 30 BBEDRO CC#CCN(C)CC(=O)N1CCNC1=O ZINC000293234411 353742543 /nfs/dbraw/zinc/74/25/43/353742543.db2.gz SKOQTRHBVWMYCH-UHFFFAOYSA-N 1 0 209.249 -0.507 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC(C)(C)O ZINC000293256572 386794759 /nfs/dbraw/zinc/79/47/59/386794759.db2.gz XGKHSVCYKJKOJX-UHFFFAOYSA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](O)CC1 ZINC000293309628 353740540 /nfs/dbraw/zinc/74/05/40/353740540.db2.gz WYKXYTIEZRPWGF-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](O)CC1 ZINC000293309630 353740626 /nfs/dbraw/zinc/74/06/26/353740626.db2.gz WYKXYTIEZRPWGF-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293314810 135377204 /nfs/dbraw/zinc/37/72/04/135377204.db2.gz XGGSQKDKVSVFMF-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](O)CC1 ZINC000293314812 135376536 /nfs/dbraw/zinc/37/65/36/135376536.db2.gz XGGSQKDKVSVFMF-MNOVXSKESA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](O)CC1 ZINC000293314815 135377025 /nfs/dbraw/zinc/37/70/25/135377025.db2.gz XGGSQKDKVSVFMF-QWRGUYRKSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293314818 135376984 /nfs/dbraw/zinc/37/69/84/135376984.db2.gz XGGSQKDKVSVFMF-WDEREUQCSA-N 1 0 224.304 -0.029 20 30 BBEDRO CC#CCN(C)[C@H](C)C(=O)NC(=O)NC ZINC000293334613 353741606 /nfs/dbraw/zinc/74/16/06/353741606.db2.gz YIPGABQUSHKPOO-MRVPVSSYSA-N 1 0 211.265 -0.214 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CC)[C@@H](C)CO ZINC000293336125 533162495 /nfs/dbraw/zinc/16/24/95/533162495.db2.gz GTLAOGBDKVJXDA-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)Cc1cnn(C)c1 ZINC000293365195 353746161 /nfs/dbraw/zinc/74/61/61/353746161.db2.gz FJNOQCTYGJBKCS-UHFFFAOYSA-N 1 0 234.303 -0.009 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CC)CC(=O)NCC ZINC000293402149 353743163 /nfs/dbraw/zinc/74/31/63/353743163.db2.gz HOFKZZJOTADWDS-UHFFFAOYSA-N 1 0 239.319 -0.416 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCOC[C@@H]1C ZINC000293406133 353742789 /nfs/dbraw/zinc/74/27/89/353742789.db2.gz HUFOQKTUABWDPR-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCOC[C@H]1C ZINC000293406135 353743196 /nfs/dbraw/zinc/74/31/96/353743196.db2.gz HUFOQKTUABWDPR-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](CO)C1 ZINC000293406140 353743347 /nfs/dbraw/zinc/74/33/47/353743347.db2.gz HUIPPLNCCJGSIU-LLVKDONJSA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](CO)C1 ZINC000293406143 353743029 /nfs/dbraw/zinc/74/30/29/353743029.db2.gz HUIPPLNCCJGSIU-NSHDSACASA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCNC(=O)CC[N@H+](CC(N)=O)CC(C)C ZINC000293417019 533161253 /nfs/dbraw/zinc/16/12/53/533161253.db2.gz IKXWSCSRATUNAN-UHFFFAOYSA-N 1 0 239.319 -0.431 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H](C)C(=O)OC ZINC000293427962 353743501 /nfs/dbraw/zinc/74/35/01/353743501.db2.gz JERHQIKNOWEAKD-JTQLQIEISA-N 1 0 240.303 -0.133 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000293427963 353743792 /nfs/dbraw/zinc/74/37/92/353743792.db2.gz JERHQIKNOWEAKD-SNVBAGLBSA-N 1 0 240.303 -0.133 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H]1COC ZINC000293449985 353744944 /nfs/dbraw/zinc/74/49/44/353744944.db2.gz CLSRXUXHMLAONU-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H]1COC ZINC000293449989 353744923 /nfs/dbraw/zinc/74/49/23/353744923.db2.gz CLSRXUXHMLAONU-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000293456873 353744661 /nfs/dbraw/zinc/74/46/61/353744661.db2.gz KYLKKKSERVKJSX-JTQLQIEISA-N 1 0 238.287 -0.379 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000293456876 353744600 /nfs/dbraw/zinc/74/46/00/353744600.db2.gz KYLKKKSERVKJSX-SNVBAGLBSA-N 1 0 238.287 -0.379 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CC)[C@H](C)CO ZINC000293493957 533162512 /nfs/dbraw/zinc/16/25/12/533162512.db2.gz GTLAOGBDKVJXDA-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C1(CO)CCC1 ZINC000293494072 353751046 /nfs/dbraw/zinc/75/10/46/353751046.db2.gz GTZRRMCBGKTKRT-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C=CCNC(=O)C[N@@H+](CC)[C@@H](C)CO ZINC000293501338 353752693 /nfs/dbraw/zinc/75/26/93/353752693.db2.gz UMMJDHZULFUIOA-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000293515247 353751934 /nfs/dbraw/zinc/75/19/34/353751934.db2.gz OOXGRPUOBOBJGN-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@H](C)C1 ZINC000293515250 533163256 /nfs/dbraw/zinc/16/32/56/533163256.db2.gz OOXGRPUOBOBJGN-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CCCC)CC(N)=O ZINC000293534922 353752447 /nfs/dbraw/zinc/75/24/47/353752447.db2.gz PUXBROIARDGCEX-UHFFFAOYSA-N 1 0 239.319 -0.287 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CCC(CO)CC1 ZINC000293551571 353747861 /nfs/dbraw/zinc/74/78/61/353747861.db2.gz RGCBCDYJHLRTBW-UHFFFAOYSA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC(=O)NC1CC1 ZINC000293556642 353747848 /nfs/dbraw/zinc/74/78/48/353747848.db2.gz RQJAOFVQRLXSAN-UHFFFAOYSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CCO)C1CC1 ZINC000293564903 533161809 /nfs/dbraw/zinc/16/18/09/533161809.db2.gz SFTFSKYNTLEUKM-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CCC)CC(=O)NC ZINC000293566533 353748519 /nfs/dbraw/zinc/74/85/19/353748519.db2.gz SKPVRJFYBDPSHF-UHFFFAOYSA-N 1 0 239.319 -0.416 20 30 BBEDRO C#CCNC(=O)CC[N@H+](CCC)CCO ZINC000293582923 353749612 /nfs/dbraw/zinc/74/96/12/353749612.db2.gz TYZUGLXKWRIGOR-UHFFFAOYSA-N 1 0 212.293 -0.170 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](O)C1 ZINC000293634512 353757893 /nfs/dbraw/zinc/75/78/93/353757893.db2.gz XCVOJEJZLNYVDI-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](O)C1 ZINC000293634514 353758413 /nfs/dbraw/zinc/75/84/13/353758413.db2.gz XCVOJEJZLNYVDI-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000293647039 353759582 /nfs/dbraw/zinc/75/95/82/353759582.db2.gz SCMHSTCNJKGROI-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC(=O)NC(C)C ZINC000293667173 353760825 /nfs/dbraw/zinc/76/08/25/353760825.db2.gz ZFXFJEAFPHPMFP-UHFFFAOYSA-N 1 0 239.319 -0.418 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]1C(=O)NC ZINC000293671206 353760898 /nfs/dbraw/zinc/76/08/98/353760898.db2.gz ZKZRAMBJXXLYJH-JTQLQIEISA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1C(=O)NC ZINC000293671207 353760562 /nfs/dbraw/zinc/76/05/62/353760562.db2.gz ZKZRAMBJXXLYJH-SNVBAGLBSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1CO ZINC000293671310 533161844 /nfs/dbraw/zinc/16/18/44/533161844.db2.gz ZMZFTBCCLVBULG-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1CO ZINC000293671312 353760507 /nfs/dbraw/zinc/76/05/07/353760507.db2.gz ZMZFTBCCLVBULG-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CCO)C(C)C ZINC000293672916 533161631 /nfs/dbraw/zinc/16/16/31/533161631.db2.gz ZOILHODGPCLEDF-UHFFFAOYSA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CCOCCOC ZINC000293673992 353760944 /nfs/dbraw/zinc/76/09/44/353760944.db2.gz VBDHXRSVKUCSIE-UHFFFAOYSA-N 1 0 242.319 -0.279 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000293695830 353754364 /nfs/dbraw/zinc/75/43/64/353754364.db2.gz WQLPVVXJKIXIGC-QWRGUYRKSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)N1CCOCC1 ZINC000293766803 533103850 /nfs/dbraw/zinc/10/38/50/533103850.db2.gz KNRJNCNENCVREX-UHFFFAOYSA-N 1 0 239.319 -0.017 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000293821684 353769455 /nfs/dbraw/zinc/76/94/55/353769455.db2.gz OZOXWXARHMWCAR-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](O)[C@H](CC)C1 ZINC000293821686 353769393 /nfs/dbraw/zinc/76/93/93/353769393.db2.gz OZOXWXARHMWCAR-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000293821689 533163992 /nfs/dbraw/zinc/16/39/92/533163992.db2.gz OZOXWXARHMWCAR-QWRGUYRKSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000293821692 353768926 /nfs/dbraw/zinc/76/89/26/353768926.db2.gz OZOXWXARHMWCAR-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000293843142 353761813 /nfs/dbraw/zinc/76/18/13/353761813.db2.gz QSQHKXOXIKNSAR-SECBINFHSA-N 1 0 213.281 -0.068 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000293843145 353761725 /nfs/dbraw/zinc/76/17/25/353761725.db2.gz QSQHKXOXIKNSAR-VIFPVBQESA-N 1 0 213.281 -0.068 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)CC(N)=O ZINC000293845909 353761985 /nfs/dbraw/zinc/76/19/85/353761985.db2.gz AANGALBDZNZAAV-JTQLQIEISA-N 1 0 239.319 -0.431 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)CC(N)=O ZINC000293845912 353761914 /nfs/dbraw/zinc/76/19/14/353761914.db2.gz AANGALBDZNZAAV-SNVBAGLBSA-N 1 0 239.319 -0.431 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@](C)(O)C1 ZINC000293859778 353761708 /nfs/dbraw/zinc/76/17/08/353761708.db2.gz RVJRZKNQHYVMIO-GFCCVEGCSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@](C)(O)C1 ZINC000293859779 353761788 /nfs/dbraw/zinc/76/17/88/353761788.db2.gz RVJRZKNQHYVMIO-LBPRGKRZSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)CCCC(N)=O ZINC000293866955 353762830 /nfs/dbraw/zinc/76/28/30/353762830.db2.gz BODMVFXZCTUCEI-UHFFFAOYSA-N 1 0 239.319 -0.287 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)CCn1cncn1 ZINC000293869777 344252754 /nfs/dbraw/zinc/25/27/54/344252754.db2.gz BRPURWQSMNIYKY-UHFFFAOYSA-N 1 0 249.318 -0.261 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)c1nnn(C)c1C ZINC000293875189 353762720 /nfs/dbraw/zinc/76/27/20/353762720.db2.gz CEVMMVPDSFQJLC-UHFFFAOYSA-N 1 0 249.318 -0.192 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)c1cnnn1CC ZINC000293887475 353763388 /nfs/dbraw/zinc/76/33/88/353763388.db2.gz DBWZAHOZEUCMCN-UHFFFAOYSA-N 1 0 249.318 -0.017 20 30 BBEDRO C#CCCS(=O)(=O)NCCC[N@@H+](C)CC#C ZINC000293902335 353763180 /nfs/dbraw/zinc/76/31/80/353763180.db2.gz WDOJIKFHWAAECU-UHFFFAOYSA-N 1 0 242.344 -0.116 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)C1=COCCO1 ZINC000293905637 344269258 /nfs/dbraw/zinc/26/92/58/344269258.db2.gz FOTIOBRHBOUORO-UHFFFAOYSA-N 1 0 238.287 -0.054 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CCCC(=O)NC ZINC000293916998 533161672 /nfs/dbraw/zinc/16/16/72/533161672.db2.gz XKRUPHUEZZCVOK-UHFFFAOYSA-N 1 0 239.319 -0.416 20 30 BBEDRO C#CCC[NH+]1CCN(CCC(=O)NCC#C)CC1 ZINC000293917036 353763249 /nfs/dbraw/zinc/76/32/49/353763249.db2.gz XLLAAAUWXMUJGM-UHFFFAOYSA-N 1 0 247.342 -0.233 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)CNC(C)=O ZINC000293921201 344273079 /nfs/dbraw/zinc/27/30/79/344273079.db2.gz GXJCOQNMPFXYAY-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000293939445 353765150 /nfs/dbraw/zinc/76/51/50/353765150.db2.gz ZRERZDCVGZCHNX-UHFFFAOYSA-N 1 0 232.287 -0.093 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)COCCOC ZINC000293971209 533099242 /nfs/dbraw/zinc/09/92/42/533099242.db2.gz MBIKBKXBZBLXES-UHFFFAOYSA-N 1 0 242.319 -0.279 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1COCCO1 ZINC000293973168 364775373 /nfs/dbraw/zinc/77/53/73/364775373.db2.gz MDIYLKBPJDEBMS-LLVKDONJSA-N 1 0 240.303 -0.527 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1COCCO1 ZINC000293973169 364776166 /nfs/dbraw/zinc/77/61/66/364776166.db2.gz MDIYLKBPJDEBMS-NSHDSACASA-N 1 0 240.303 -0.527 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)Cn1cccn1 ZINC000293983924 533099748 /nfs/dbraw/zinc/09/97/48/533099748.db2.gz NDLHBORLWAZJEE-UHFFFAOYSA-N 1 0 234.303 -0.046 20 30 BBEDRO C#CCNC(=O)CC[N@H+](CC)CCOCCO ZINC000293998041 353766498 /nfs/dbraw/zinc/76/64/98/353766498.db2.gz FWSAZDYWMRXMMV-UHFFFAOYSA-N 1 0 242.319 -0.543 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000294000248 353766527 /nfs/dbraw/zinc/76/65/27/353766527.db2.gz GBGBJBKDXSTLAT-GXSJLCMTSA-N 1 0 237.303 -0.760 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000294000255 353766414 /nfs/dbraw/zinc/76/64/14/353766414.db2.gz GBGBJBKDXSTLAT-KOLCDFICSA-N 1 0 237.303 -0.760 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000294000260 353766556 /nfs/dbraw/zinc/76/65/56/353766556.db2.gz GBGBJBKDXSTLAT-MWLCHTKSSA-N 1 0 237.303 -0.760 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000294000265 353766490 /nfs/dbraw/zinc/76/64/90/353766490.db2.gz GBGBJBKDXSTLAT-ONGXEEELSA-N 1 0 237.303 -0.760 20 30 BBEDRO C#CCNC(=O)CC[N@H+](C)CCOCCO ZINC000294013198 386674392 /nfs/dbraw/zinc/67/43/92/386674392.db2.gz GXKCCLLCMNXRJZ-UHFFFAOYSA-N 1 0 228.292 -0.933 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)c1nccnc1N ZINC000294022420 353767325 /nfs/dbraw/zinc/76/73/25/353767325.db2.gz QQSDEECRMXOGOP-UHFFFAOYSA-N 1 0 247.302 -0.256 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)NC(N)=O ZINC000294028288 353767361 /nfs/dbraw/zinc/76/73/61/353767361.db2.gz RGOSXJGEJDCUOY-VIFPVBQESA-N 1 0 240.307 -0.886 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)c1cnn(CC)n1 ZINC000294032270 353767290 /nfs/dbraw/zinc/76/72/90/353767290.db2.gz RPKJQUBHQVODDA-UHFFFAOYSA-N 1 0 249.318 -0.017 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)/C=N/OC ZINC000294034296 533098638 /nfs/dbraw/zinc/09/86/38/533098638.db2.gz RTJYNNDSQVYAJG-FMIVXFBMSA-N 1 0 211.265 -0.310 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)CNC(=O)OC ZINC000294036472 353767342 /nfs/dbraw/zinc/76/73/42/353767342.db2.gz SAWYLTUELNTHHT-UHFFFAOYSA-N 1 0 241.291 -0.586 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CC)[C@@H]1CCNC1=O ZINC000294049803 259445319 /nfs/dbraw/zinc/44/53/19/259445319.db2.gz JFMDZUGLEMRSGX-SNVBAGLBSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)n1cncn1 ZINC000294050565 533104969 /nfs/dbraw/zinc/10/49/69/533104969.db2.gz UCWHGRIFPKGFBL-LLVKDONJSA-N 1 0 249.318 -0.090 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)n1cncn1 ZINC000294050570 533105108 /nfs/dbraw/zinc/10/51/08/533105108.db2.gz UCWHGRIFPKGFBL-NSHDSACASA-N 1 0 249.318 -0.090 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC000294070978 388393977 /nfs/dbraw/zinc/39/39/77/388393977.db2.gz VWTUOTLOXRABDB-JTQLQIEISA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC(=O)N1 ZINC000294070982 388394019 /nfs/dbraw/zinc/39/40/19/388394019.db2.gz VWTUOTLOXRABDB-SNVBAGLBSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)CCn1ccnn1 ZINC000294077831 388393593 /nfs/dbraw/zinc/39/35/93/388393593.db2.gz WKNSXSBYYRBGJZ-UHFFFAOYSA-N 1 0 249.318 -0.261 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)c1cn(C)nn1 ZINC000294093218 388395200 /nfs/dbraw/zinc/39/52/00/388395200.db2.gz XSTFPWJRYVSVRJ-UHFFFAOYSA-N 1 0 235.291 -0.500 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)C1(O)CCC1 ZINC000294098056 385805782 /nfs/dbraw/zinc/80/57/82/385805782.db2.gz YBNKUXWWYPENTR-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)CN(C)C(C)=O ZINC000294098175 488020300 /nfs/dbraw/zinc/02/03/00/488020300.db2.gz YCLQZUHIIPMTNX-UHFFFAOYSA-N 1 0 239.319 -0.464 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000294151619 353770842 /nfs/dbraw/zinc/77/08/42/353770842.db2.gz OXGFXRGULCIUCW-JTQLQIEISA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1CCCN(C=O)CC1 ZINC000294281035 353773820 /nfs/dbraw/zinc/77/38/20/353773820.db2.gz SPSLONBMIOKFNC-LLVKDONJSA-N 1 0 237.303 -0.712 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1CCCN(C=O)CC1 ZINC000294281039 353773903 /nfs/dbraw/zinc/77/39/03/353773903.db2.gz SPSLONBMIOKFNC-NSHDSACASA-N 1 0 237.303 -0.712 20 30 BBEDRO O=C(NCC#CCO)[C@H]1CCC[N@@H+]1C1CC1 ZINC000294285343 353773885 /nfs/dbraw/zinc/77/38/85/353773885.db2.gz PCIRIMGKZGSVTE-LLVKDONJSA-N 1 0 222.288 -0.275 20 30 BBEDRO O=C(NCC#CCO)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000294285346 353773489 /nfs/dbraw/zinc/77/34/89/353773489.db2.gz PCIRIMGKZGSVTE-NSHDSACASA-N 1 0 222.288 -0.275 20 30 BBEDRO C=CCOCC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000294318710 135378342 /nfs/dbraw/zinc/37/83/42/135378342.db2.gz XUEYJFBVGMKWNW-LLVKDONJSA-N 1 0 228.292 -0.499 20 30 BBEDRO C=CCOCC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000294318721 135377791 /nfs/dbraw/zinc/37/77/91/135377791.db2.gz XUEYJFBVGMKWNW-NSHDSACASA-N 1 0 228.292 -0.499 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000294338493 398260703 /nfs/dbraw/zinc/26/07/03/398260703.db2.gz YXMALMWNFBWOHR-GFCCVEGCSA-N 1 0 237.303 -0.677 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000294338502 533162893 /nfs/dbraw/zinc/16/28/93/533162893.db2.gz YXMALMWNFBWOHR-LBPRGKRZSA-N 1 0 237.303 -0.677 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C(C)C ZINC000294363145 135377546 /nfs/dbraw/zinc/37/75/46/135377546.db2.gz ATFCYVWONUJFFX-SNVBAGLBSA-N 1 0 212.293 -0.268 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000294384474 353775979 /nfs/dbraw/zinc/77/59/79/353775979.db2.gz BRPPKMMWJKBJKQ-HWPZZCPQSA-N 1 0 244.360 -0.175 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000294384476 353776116 /nfs/dbraw/zinc/77/61/16/353776116.db2.gz BRPPKMMWJKBJKQ-MGPLVRAMSA-N 1 0 244.360 -0.175 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000294384479 353776443 /nfs/dbraw/zinc/77/64/43/353776443.db2.gz BRPPKMMWJKBJKQ-QFYYESIMSA-N 1 0 244.360 -0.175 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000294384482 353776048 /nfs/dbraw/zinc/77/60/48/353776048.db2.gz BRPPKMMWJKBJKQ-QLJPJBMISA-N 1 0 244.360 -0.175 20 30 BBEDRO CC1CC[NH+](CC(=O)NCC#CCO)CC1 ZINC000294388873 353776262 /nfs/dbraw/zinc/77/62/62/353776262.db2.gz VGGPZBQRWNMTCI-UHFFFAOYSA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCNC(=O)CC[N@H+](C)CCCCO ZINC000294425182 353778201 /nfs/dbraw/zinc/77/82/01/353778201.db2.gz DRRWGMYSCKKVSZ-UHFFFAOYSA-N 1 0 212.293 -0.170 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000294462880 353779518 /nfs/dbraw/zinc/77/95/18/353779518.db2.gz GKRAINXAUXGPLJ-PHIMTYICSA-N 1 0 240.303 -0.529 20 30 BBEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC000294563171 411194095 /nfs/dbraw/zinc/19/40/95/411194095.db2.gz NOASWLXPLTZNHG-LLVKDONJSA-N 1 0 242.319 -0.281 20 30 BBEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC000294563173 533180705 /nfs/dbraw/zinc/18/07/05/533180705.db2.gz NOASWLXPLTZNHG-NSHDSACASA-N 1 0 242.319 -0.281 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000294603921 353785861 /nfs/dbraw/zinc/78/58/61/353785861.db2.gz NVCKWMCFEUIBEN-GHMZBOCLSA-N 1 0 242.319 -0.811 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000294603924 353785927 /nfs/dbraw/zinc/78/59/27/353785927.db2.gz NVCKWMCFEUIBEN-MNOVXSKESA-N 1 0 242.319 -0.811 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000294603928 353785333 /nfs/dbraw/zinc/78/53/33/353785333.db2.gz NVCKWMCFEUIBEN-QWRGUYRKSA-N 1 0 242.319 -0.811 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000294603930 353785199 /nfs/dbraw/zinc/78/51/99/353785199.db2.gz NVCKWMCFEUIBEN-WDEREUQCSA-N 1 0 242.319 -0.811 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC1(CO)CC1 ZINC000294617988 353785918 /nfs/dbraw/zinc/78/59/18/353785918.db2.gz OMQMHAUKIYJEMK-UHFFFAOYSA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000294683295 385882987 /nfs/dbraw/zinc/88/29/87/385882987.db2.gz STTUAISZHLKLJN-MNOVXSKESA-N 1 0 224.304 -0.314 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000294716782 386685905 /nfs/dbraw/zinc/68/59/05/386685905.db2.gz VKOKNTMGQHZXNZ-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000294716784 533164397 /nfs/dbraw/zinc/16/43/97/533164397.db2.gz VKOKNTMGQHZXNZ-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000294716786 386686887 /nfs/dbraw/zinc/68/68/87/386686887.db2.gz VKOKNTMGQHZXNZ-QWRGUYRKSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000294716788 386685189 /nfs/dbraw/zinc/68/51/89/386685189.db2.gz VKOKNTMGQHZXNZ-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C(C)(C)CC(N)=O ZINC000294753108 533164337 /nfs/dbraw/zinc/16/43/37/533164337.db2.gz XTNNVLOEVPUMJD-UHFFFAOYSA-N 1 0 225.292 -0.631 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CCO)C1CCC1 ZINC000294773640 353788724 /nfs/dbraw/zinc/78/87/24/353788724.db2.gz ZLEFGZHJXDSHBZ-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC1CC(O)C1 ZINC000294779252 353788465 /nfs/dbraw/zinc/78/84/65/353788465.db2.gz ZUJAZNLPTKTNOG-UHFFFAOYSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCO[C@H](C)C(=O)NCC[N@H+](CC)CCO ZINC000294960143 353794220 /nfs/dbraw/zinc/79/42/20/353794220.db2.gz JWERLHSSKYIWSW-LLVKDONJSA-N 1 0 242.319 -0.545 20 30 BBEDRO C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)CCO ZINC000294960144 353794269 /nfs/dbraw/zinc/79/42/69/353794269.db2.gz JWERLHSSKYIWSW-NSHDSACASA-N 1 0 242.319 -0.545 20 30 BBEDRO C#CCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC000295020241 533054754 /nfs/dbraw/zinc/05/47/54/533054754.db2.gz ULQGCSSLTSWUNJ-UHFFFAOYSA-N 1 0 219.292 -0.054 20 30 BBEDRO C#CCN(C)CCC[NH2+][C@@H](C)CC(N)=O ZINC000295053863 135379198 /nfs/dbraw/zinc/37/91/98/135379198.db2.gz QPKORVITLRFLEI-JTQLQIEISA-N 1 0 211.309 -0.205 20 30 BBEDRO C#CCN(C)CCC[NH2+][C@H](C)CC(N)=O ZINC000295053864 135379215 /nfs/dbraw/zinc/37/92/15/135379215.db2.gz QPKORVITLRFLEI-SNVBAGLBSA-N 1 0 211.309 -0.205 20 30 BBEDRO C#CCNC(=O)CC[N@H+](C1CC1)C1COC1 ZINC000295261646 386003495 /nfs/dbraw/zinc/00/34/95/386003495.db2.gz BTBFPTOLSWGPFW-UHFFFAOYSA-N 1 0 222.288 -0.011 20 30 BBEDRO C#CCO[C@H](C)C(=O)N1CC([NH+](C)C)C1 ZINC000295477909 136230328 /nfs/dbraw/zinc/23/03/28/136230328.db2.gz JDMOMNXFVPOMKO-SECBINFHSA-N 1 0 210.277 -0.203 20 30 BBEDRO C#CCO[C@@H](C)C(=O)N1CC([NH+](C)C)C1 ZINC000295477919 136230404 /nfs/dbraw/zinc/23/04/04/136230404.db2.gz JDMOMNXFVPOMKO-VIFPVBQESA-N 1 0 210.277 -0.203 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H](CC)CO ZINC000295665810 353811833 /nfs/dbraw/zinc/81/18/33/353811833.db2.gz ITDXMOOFUBBBRY-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@H](CC)CO ZINC000295665821 191640729 /nfs/dbraw/zinc/64/07/29/191640729.db2.gz ITDXMOOFUBBBRY-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)NCCC[N@@H+](C)CC#C ZINC000296229182 353821146 /nfs/dbraw/zinc/82/11/46/353821146.db2.gz PFOJIDJKTQRZCO-UHFFFAOYSA-N 1 0 207.277 -0.126 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000296435812 533164123 /nfs/dbraw/zinc/16/41/23/533164123.db2.gz WJYWSXFUXHRBJZ-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)O ZINC000297189708 353840636 /nfs/dbraw/zinc/84/06/36/353840636.db2.gz BYHYSYNBCQGBQG-JTQLQIEISA-N 1 0 227.308 -0.379 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)O ZINC000297189711 353840407 /nfs/dbraw/zinc/84/04/07/353840407.db2.gz BYHYSYNBCQGBQG-SNVBAGLBSA-N 1 0 227.308 -0.379 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)CO ZINC000297194090 353840442 /nfs/dbraw/zinc/84/04/42/353840442.db2.gz CIFOKGVMTDWYSO-JTQLQIEISA-N 1 0 227.308 -0.379 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)CO ZINC000297194093 353840254 /nfs/dbraw/zinc/84/02/54/353840254.db2.gz CIFOKGVMTDWYSO-SNVBAGLBSA-N 1 0 227.308 -0.379 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H](O)C1 ZINC000297210362 353841671 /nfs/dbraw/zinc/84/16/71/353841671.db2.gz DKLMMDSOCASWGP-PHIMTYICSA-N 1 0 239.319 -0.236 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1CCN(CC)CC1 ZINC000297383966 384795561 /nfs/dbraw/zinc/79/55/61/384795561.db2.gz AVXSEQTVHUJURJ-UHFFFAOYSA-N 1 0 239.319 -0.205 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](C=C)CO ZINC000297458566 533105580 /nfs/dbraw/zinc/10/55/80/533105580.db2.gz KNCSXZMGCUXCHC-LLVKDONJSA-N 1 0 239.319 -0.212 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C=C)CO ZINC000297458572 384810862 /nfs/dbraw/zinc/81/08/62/384810862.db2.gz KNCSXZMGCUXCHC-NSHDSACASA-N 1 0 239.319 -0.212 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@@H](C)O ZINC000297524830 384834531 /nfs/dbraw/zinc/83/45/31/384834531.db2.gz QFMIQOKFABHDRW-LLVKDONJSA-N 1 0 241.335 -0.036 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H](C)O ZINC000297524831 384834130 /nfs/dbraw/zinc/83/41/30/384834130.db2.gz QFMIQOKFABHDRW-NSHDSACASA-N 1 0 241.335 -0.036 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H](C)CO ZINC000297564298 384851533 /nfs/dbraw/zinc/85/15/33/384851533.db2.gz SDHICVQLVSSBKM-LLVKDONJSA-N 1 0 241.335 -0.036 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H](C)CO ZINC000297564299 384850084 /nfs/dbraw/zinc/85/00/84/384850084.db2.gz SDHICVQLVSSBKM-NSHDSACASA-N 1 0 241.335 -0.036 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)NCCCO ZINC000297580176 533102907 /nfs/dbraw/zinc/10/29/07/533102907.db2.gz UEJSSZYJZUZNSU-UHFFFAOYSA-N 1 0 227.308 -0.377 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)CCCO ZINC000297640112 384863194 /nfs/dbraw/zinc/86/31/94/384863194.db2.gz YZXFRQSFTOXRPA-UHFFFAOYSA-N 1 0 241.335 -0.035 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000298070051 135197902 /nfs/dbraw/zinc/19/79/02/135197902.db2.gz HIWCBRXTPKNWAA-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000298070054 385103064 /nfs/dbraw/zinc/10/30/64/385103064.db2.gz HIWCBRXTPKNWAA-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO CC#CC[N@@H+](C)CCC(=O)NC(=O)NC ZINC000298363083 383871815 /nfs/dbraw/zinc/87/18/15/383871815.db2.gz NDGRMRUDIWLELF-UHFFFAOYSA-N 1 0 211.265 -0.213 20 30 BBEDRO C#CC(C)(C)[N@H+](C)CCC(=O)NC(N)=O ZINC000298422197 383884218 /nfs/dbraw/zinc/88/42/18/383884218.db2.gz FYXBBRUCXMEWEE-UHFFFAOYSA-N 1 0 211.265 -0.085 20 30 BBEDRO C#CCN(C)CC(=O)NC[C@H]1CCCO1 ZINC000298648747 383974467 /nfs/dbraw/zinc/97/44/67/383974467.db2.gz XFNLTQWAVAZWND-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO CC#CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000298726580 383987572 /nfs/dbraw/zinc/98/75/72/383987572.db2.gz WYZSQJVWSLTJOH-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO CC#CC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000298726583 383986782 /nfs/dbraw/zinc/98/67/82/383986782.db2.gz WYZSQJVWSLTJOH-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO CCC(N)=[NH+]OCc1cc(=O)n(C)c(=O)n1C ZINC000298766399 386382141 /nfs/dbraw/zinc/38/21/41/386382141.db2.gz CKZYHAFOESWBNV-UHFFFAOYSA-N 1 0 240.263 -0.717 20 30 BBEDRO CC(C)[C@@H](C(=O)NCC#CCO)[NH+](C)C ZINC000298840861 135201369 /nfs/dbraw/zinc/20/13/69/135201369.db2.gz DKPZXBRSXBFYIU-JTQLQIEISA-N 1 0 212.293 -0.316 20 30 BBEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCC#CCO ZINC000299129763 384118619 /nfs/dbraw/zinc/11/86/19/384118619.db2.gz XJZDIFFQJFXVCC-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCC#CCO ZINC000299129765 384120230 /nfs/dbraw/zinc/12/02/30/384120230.db2.gz XJZDIFFQJFXVCC-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000299249825 533042421 /nfs/dbraw/zinc/04/24/21/533042421.db2.gz XZTQTYHVTHMYKW-UHFFFAOYSA-N 1 0 210.277 -0.200 20 30 BBEDRO C#CCN(CC#C)[C@H](C)C(=O)NC(=O)NC ZINC000299446204 136272838 /nfs/dbraw/zinc/27/28/38/136272838.db2.gz YSBLSSLRBVDIHT-SECBINFHSA-N 1 0 221.260 -0.601 20 30 BBEDRO C#CCNC(=O)CCN1CC[NH+](CC)CC1 ZINC000299682645 384340572 /nfs/dbraw/zinc/34/05/72/384340572.db2.gz RWEKIURMDOWCTP-UHFFFAOYSA-N 1 0 223.320 -0.237 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299891197 166367814 /nfs/dbraw/zinc/36/78/14/166367814.db2.gz JVVOYEOEGNTAQB-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000299891198 166368921 /nfs/dbraw/zinc/36/89/21/166368921.db2.gz JVVOYEOEGNTAQB-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NCCC#N)[C@H]1CO ZINC000299902820 634398883 /nfs/dbraw/zinc/39/88/83/634398883.db2.gz AEISCKNSUOQANG-UWVGGRQHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCCC#N)[C@H]1CO ZINC000299902822 634397731 /nfs/dbraw/zinc/39/77/31/634397731.db2.gz AEISCKNSUOQANG-ZJUUUORDSA-N 1 0 225.292 -0.281 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000299908122 634398763 /nfs/dbraw/zinc/39/87/63/634398763.db2.gz IFAQIZZVFLEQSC-NXEZZACHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000299908124 634397827 /nfs/dbraw/zinc/39/78/27/634397827.db2.gz IFAQIZZVFLEQSC-VHSXEESVSA-N 1 0 210.277 -0.562 20 30 BBEDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)NCC#N ZINC000300361609 134829005 /nfs/dbraw/zinc/82/90/05/134829005.db2.gz BJYUMCRCBYTIQV-WPRPVWTQSA-N 1 0 211.265 -0.217 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+](C)CCCO ZINC000300813978 347258343 /nfs/dbraw/zinc/25/83/43/347258343.db2.gz LPBWLYBENVQWTL-UHFFFAOYSA-N 1 0 229.280 -0.688 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(CC)CC[NH3+] ZINC000300864608 349396552 /nfs/dbraw/zinc/39/65/52/349396552.db2.gz VZSFWWVEHSUEDH-UHFFFAOYSA-N 1 0 228.296 -0.721 20 30 BBEDRO C=C[C@H](C(=O)OC)N(C)CCOCCO ZINC000301012009 363294245 /nfs/dbraw/zinc/29/42/45/363294245.db2.gz GKNFMACTDQXUBQ-SECBINFHSA-N 1 0 217.265 -0.345 20 30 BBEDRO C=C[C@@H](C(=O)OC)N(C)CCOCCO ZINC000301012010 363294151 /nfs/dbraw/zinc/29/41/51/363294151.db2.gz GKNFMACTDQXUBQ-VIFPVBQESA-N 1 0 217.265 -0.345 20 30 BBEDRO C[N@@H+]1CCO[C@@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC000301689342 719371673 /nfs/dbraw/zinc/37/16/73/719371673.db2.gz XYXHHMNICUPLSU-GHMZBOCLSA-N 1 0 245.286 -0.133 20 30 BBEDRO C[N@@H+]1CCO[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC000301689343 719371895 /nfs/dbraw/zinc/37/18/95/719371895.db2.gz XYXHHMNICUPLSU-MNOVXSKESA-N 1 0 245.286 -0.133 20 30 BBEDRO C[N@@H+]1CCO[C@H]2CN(c3nccnc3C#N)C[C@@H]21 ZINC000301689344 719372000 /nfs/dbraw/zinc/37/20/00/719372000.db2.gz XYXHHMNICUPLSU-QWRGUYRKSA-N 1 0 245.286 -0.133 20 30 BBEDRO C[N@@H+]1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 ZINC000301689345 719371502 /nfs/dbraw/zinc/37/15/02/719371502.db2.gz XYXHHMNICUPLSU-WDEREUQCSA-N 1 0 245.286 -0.133 20 30 BBEDRO C=CCNC(=O)CNc1cc[nH+]cc1C(N)=O ZINC000302159867 134157653 /nfs/dbraw/zinc/15/76/53/134157653.db2.gz OZEPEWURTWPUPY-UHFFFAOYSA-N 1 0 234.259 -0.105 20 30 BBEDRO C[N@@H+]1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC000302259255 719376626 /nfs/dbraw/zinc/37/66/26/719376626.db2.gz BVSHVCRCAVTOLU-GHMZBOCLSA-N 1 0 245.286 -0.133 20 30 BBEDRO C[N@@H+]1CCO[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC000302259256 719377158 /nfs/dbraw/zinc/37/71/58/719377158.db2.gz BVSHVCRCAVTOLU-MNOVXSKESA-N 1 0 245.286 -0.133 20 30 BBEDRO C[C@H]1CN(c2ccc(C#N)nn2)CC[N@@H+]1CCO ZINC000302416183 132263292 /nfs/dbraw/zinc/26/32/92/132263292.db2.gz MGGCBKYPCWFGEA-JTQLQIEISA-N 1 0 247.302 -0.149 20 30 BBEDRO C[C@@H]1CN(c2ccc(C#N)nn2)CC[N@@H+]1CCO ZINC000302416184 132263319 /nfs/dbraw/zinc/26/33/19/132263319.db2.gz MGGCBKYPCWFGEA-SNVBAGLBSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[C@H](O)C[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000302429718 132263427 /nfs/dbraw/zinc/26/34/27/132263427.db2.gz OMHAZMQWCUCOQU-JTQLQIEISA-N 1 0 247.302 -0.149 20 30 BBEDRO C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000302543770 132264176 /nfs/dbraw/zinc/26/41/76/132264176.db2.gz OMHAZMQWCUCOQU-SNVBAGLBSA-N 1 0 247.302 -0.149 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CCOCCO)C(C)C ZINC000302554383 592549115 /nfs/dbraw/zinc/54/91/15/592549115.db2.gz WIXMNJDWXQXTLX-UHFFFAOYSA-N 1 0 242.319 -0.545 20 30 BBEDRO CCNC(NCC(=O)N(C)C)=[NH+]CC ZINC000303251433 644811582 /nfs/dbraw/zinc/81/15/82/644811582.db2.gz AMFAARBPALMEFX-UHFFFAOYSA-N 1 0 200.286 -0.350 20 30 BBEDRO CNC(NCC(=O)N1CCCCC1)=[NH+]C ZINC000303252225 644811418 /nfs/dbraw/zinc/81/14/18/644811418.db2.gz BJVMFFMWTMPNFS-UHFFFAOYSA-N 1 0 212.297 -0.206 20 30 BBEDRO NC(=[NH2+])NCCNC(=O)c1ccccc1F ZINC000303252737 134233043 /nfs/dbraw/zinc/23/30/43/134233043.db2.gz BTDHHNWGQYFCFQ-UHFFFAOYSA-N 1 0 224.239 -0.171 20 30 BBEDRO COCCOCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000303252818 636304693 /nfs/dbraw/zinc/30/46/93/636304693.db2.gz BZCJCKDYIUXHNR-JTQLQIEISA-N 1 0 245.323 -0.267 20 30 BBEDRO COCCOCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000303252819 636303731 /nfs/dbraw/zinc/30/37/31/636303731.db2.gz BZCJCKDYIUXHNR-SNVBAGLBSA-N 1 0 245.323 -0.267 20 30 BBEDRO CC(C)C(=O)NCCNC(=[NH2+])NC1CC1 ZINC000303254762 643577402 /nfs/dbraw/zinc/57/74/02/643577402.db2.gz FAHMUBTUGCRAAG-UHFFFAOYSA-N 1 0 212.297 -0.175 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000303254800 644811403 /nfs/dbraw/zinc/81/14/03/644811403.db2.gz FDJCGZUQEGTFAK-SECBINFHSA-N 1 0 242.323 -0.404 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000303254802 635927396 /nfs/dbraw/zinc/92/73/96/635927396.db2.gz FDJCGZUQEGTFAK-VIFPVBQESA-N 1 0 242.323 -0.404 20 30 BBEDRO NC(=[NH2+])NCCC(=O)NCc1ccccc1 ZINC000303254918 349025310 /nfs/dbraw/zinc/02/53/10/349025310.db2.gz FLXYTVMLPCMMGL-UHFFFAOYSA-N 1 0 220.276 -0.034 20 30 BBEDRO CNC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000303255067 644814026 /nfs/dbraw/zinc/81/40/26/644814026.db2.gz FTGRPZGOTLQYKA-UHFFFAOYSA-N 1 0 206.249 -0.180 20 30 BBEDRO CCS(=O)(=O)NCCCNC(=[NH2+])NC1CC1 ZINC000303255524 644813710 /nfs/dbraw/zinc/81/37/10/644813710.db2.gz GNJMBZYWSDQTIO-UHFFFAOYSA-N 1 0 248.352 -0.618 20 30 BBEDRO CC(C)[C@@H](CNC(N)=[NH2+])N1CCOCC1 ZINC000303256215 134233182 /nfs/dbraw/zinc/23/31/82/134233182.db2.gz HNLWFOSZELTKGI-SECBINFHSA-N 1 0 214.313 -0.383 20 30 BBEDRO CC(C)[C@H](CNC(N)=[NH2+])N1CCOCC1 ZINC000303256216 534993412 /nfs/dbraw/zinc/99/34/12/534993412.db2.gz HNLWFOSZELTKGI-VIFPVBQESA-N 1 0 214.313 -0.383 20 30 BBEDRO COCCNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303258215 644814101 /nfs/dbraw/zinc/81/41/01/644814101.db2.gz KNDVUCORJQMCRI-UHFFFAOYSA-N 1 0 216.285 -0.951 20 30 BBEDRO C=CCNC(=[NH2+])NCC(=O)NCc1ccco1 ZINC000303258381 636305425 /nfs/dbraw/zinc/30/54/25/636305425.db2.gz KWFGONNYPBHVAC-UHFFFAOYSA-N 1 0 236.275 -0.014 20 30 BBEDRO CN(C)C(=O)CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000303258557 644813376 /nfs/dbraw/zinc/81/33/76/644813376.db2.gz KYQNKKFKBYACDX-SECBINFHSA-N 1 0 242.323 -0.452 20 30 BBEDRO CN(C)C(=O)CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000303258558 644813821 /nfs/dbraw/zinc/81/38/21/644813821.db2.gz KYQNKKFKBYACDX-VIFPVBQESA-N 1 0 242.323 -0.452 20 30 BBEDRO CCNC(NCC(=O)NC1CC1)=[NH+]CC ZINC000303258663 644813839 /nfs/dbraw/zinc/81/38/39/644813839.db2.gz LFFCBVWWQJSOOY-UHFFFAOYSA-N 1 0 212.297 -0.160 20 30 BBEDRO COCCNC(=[NH2+])NCC(=O)N1CCCCC1 ZINC000303259173 636306372 /nfs/dbraw/zinc/30/63/72/636306372.db2.gz LVPHUCRZYUUMAB-UHFFFAOYSA-N 1 0 242.323 -0.450 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCCS(C)(=O)=O ZINC000303260215 644814173 /nfs/dbraw/zinc/81/41/73/644814173.db2.gz MVMCWIHAXOPEBJ-SSDOTTSWSA-N 1 0 221.326 -0.266 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCCS(C)(=O)=O ZINC000303260218 636305637 /nfs/dbraw/zinc/30/56/37/636305637.db2.gz MVMCWIHAXOPEBJ-ZETCQYMHSA-N 1 0 221.326 -0.266 20 30 BBEDRO CNC(=[NH2+])NCC(C)(C)N1CCOCC1 ZINC000303260867 644813099 /nfs/dbraw/zinc/81/30/99/644813099.db2.gz NSSJNWOCEITFCO-UHFFFAOYSA-N 1 0 214.313 -0.369 20 30 BBEDRO COCCNC(=[NH2+])NCCC(=O)N(C)C ZINC000303261206 644814082 /nfs/dbraw/zinc/81/40/82/644814082.db2.gz OBIHVPUEGFIWQF-UHFFFAOYSA-N 1 0 216.285 -0.985 20 30 BBEDRO COCCNC(=[NH2+])NCCn1cccn1 ZINC000303261209 644813064 /nfs/dbraw/zinc/81/30/64/644813064.db2.gz OBXWWRLQVSGDGK-UHFFFAOYSA-N 1 0 211.269 -0.566 20 30 BBEDRO CNC(NCC(C)(C)N1CCOCC1)=[NH+]C ZINC000303261600 644813716 /nfs/dbraw/zinc/81/37/16/644813716.db2.gz ONSWNGWWGRKPFC-UHFFFAOYSA-N 1 0 228.340 -0.108 20 30 BBEDRO COCCNC(=[NH2+])NCCC(=O)NC(C)C ZINC000303261635 644813826 /nfs/dbraw/zinc/81/38/26/644813826.db2.gz OQJLWSUCUWIDQR-UHFFFAOYSA-N 1 0 230.312 -0.548 20 30 BBEDRO COCCNC(=[NH2+])NCCOCCOC ZINC000303261728 644814189 /nfs/dbraw/zinc/81/41/89/644814189.db2.gz OWIJJMMIRCQWNE-UHFFFAOYSA-N 1 0 219.285 -0.800 20 30 BBEDRO CNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000303263548 644814079 /nfs/dbraw/zinc/81/40/79/644814079.db2.gz RAUYYJUUJAEMTI-UHFFFAOYSA-N 1 0 206.249 -0.180 20 30 BBEDRO CNC(NCCC(=O)NC(C)C)=[NH+]C ZINC000303264376 636305201 /nfs/dbraw/zinc/30/52/01/636305201.db2.gz SGNDAFCPCZKIRT-UHFFFAOYSA-N 1 0 200.286 -0.304 20 30 BBEDRO [NH2+]=C(NCc1cc[nH]n1)NC[C@H]1CCCO1 ZINC000303264400 644813633 /nfs/dbraw/zinc/81/36/33/644813633.db2.gz SIYMPYCWEQJNLH-SECBINFHSA-N 1 0 223.280 -0.007 20 30 BBEDRO [NH2+]=C(NCc1cc[nH]n1)NC[C@@H]1CCCO1 ZINC000303264402 644813429 /nfs/dbraw/zinc/81/34/29/644813429.db2.gz SIYMPYCWEQJNLH-VIFPVBQESA-N 1 0 223.280 -0.007 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])NCCOC ZINC000303264781 644813339 /nfs/dbraw/zinc/81/33/39/644813339.db2.gz STYDVCMBIYGADH-UHFFFAOYSA-N 1 0 216.285 -0.937 20 30 BBEDRO CCNC(NCCS(C)(=O)=O)=[NH+]CC ZINC000303266607 644814236 /nfs/dbraw/zinc/81/42/36/644814236.db2.gz WDCQKQOPNJOEDK-UHFFFAOYSA-N 1 0 221.326 -0.394 20 30 BBEDRO CNC(NCCNC(=O)C(C)(C)C)=[NH+]C ZINC000303359721 644818609 /nfs/dbraw/zinc/81/86/09/644818609.db2.gz BGALYBZXZLYTDE-UHFFFAOYSA-N 1 0 214.313 -0.057 20 30 BBEDRO COCCNC(=[NH2+])NCCCOCCOC ZINC000303359830 644818861 /nfs/dbraw/zinc/81/88/61/644818861.db2.gz BLKBXCKYNWRMSP-UHFFFAOYSA-N 1 0 233.312 -0.410 20 30 BBEDRO COCCNC(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000303366461 636308060 /nfs/dbraw/zinc/30/80/60/636308060.db2.gz HEODTZBNKYQYIT-SSDOTTSWSA-N 1 0 217.269 -0.654 20 30 BBEDRO COCCNC(=[NH2+])NC[C@H](C)C(=O)OC ZINC000303366462 636308340 /nfs/dbraw/zinc/30/83/40/636308340.db2.gz HEODTZBNKYQYIT-ZETCQYMHSA-N 1 0 217.269 -0.654 20 30 BBEDRO CCNC(NCCCS(C)(=O)=O)=[NH+]CC ZINC000303368230 644818447 /nfs/dbraw/zinc/81/84/47/644818447.db2.gz ILRQPYCRYATZKM-UHFFFAOYSA-N 1 0 235.353 -0.004 20 30 BBEDRO CNC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000303368316 636308103 /nfs/dbraw/zinc/30/81/03/636308103.db2.gz ITDCRILCNUOGKP-UHFFFAOYSA-N 1 0 207.237 -0.446 20 30 BBEDRO CNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303371880 636308597 /nfs/dbraw/zinc/30/85/97/636308597.db2.gz LFKBTYWORUKVIM-UHFFFAOYSA-N 1 0 200.286 -0.317 20 30 BBEDRO COCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303375912 644820609 /nfs/dbraw/zinc/82/06/09/644820609.db2.gz OGHSWYJMUSNKNP-UHFFFAOYSA-N 1 0 244.339 -0.741 20 30 BBEDRO CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NC)CC1 ZINC000303384130 644820694 /nfs/dbraw/zinc/82/06/94/644820694.db2.gz UKSKZZZRLFLNMB-LLVKDONJSA-N 1 0 241.383 -0.206 20 30 BBEDRO CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NC)CC1 ZINC000303384131 644820268 /nfs/dbraw/zinc/82/02/68/644820268.db2.gz UKSKZZZRLFLNMB-NSHDSACASA-N 1 0 241.383 -0.206 20 30 BBEDRO CNC(NCCN1CCOCC1)=[NH+]C ZINC000303385929 635929849 /nfs/dbraw/zinc/92/98/49/635929849.db2.gz VWVMVEOVHAEIIU-UHFFFAOYSA-N 1 0 200.286 -0.887 20 30 BBEDRO COCCNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303392378 636306834 /nfs/dbraw/zinc/30/68/34/636306834.db2.gz ZECCSEDRUAGULI-UHFFFAOYSA-N 1 0 244.339 -0.301 20 30 BBEDRO CCS(=O)(=O)CCNC(NC)=[NH+]C ZINC000303393739 633083010 /nfs/dbraw/zinc/08/30/10/633083010.db2.gz GCKFSJWHMOBKTG-UHFFFAOYSA-N 1 0 207.299 -0.784 20 30 BBEDRO C[NH+]=C(NCCC(=O)N(C)C)NC1CC1 ZINC000303400077 635930125 /nfs/dbraw/zinc/93/01/25/635930125.db2.gz KUXUNKRBTRJXCN-UHFFFAOYSA-N 1 0 212.297 -0.208 20 30 BBEDRO C[NH+]=C(NCC(C)(C)C(N)=O)NC1CC1 ZINC000303404976 644822547 /nfs/dbraw/zinc/82/25/47/644822547.db2.gz PPWMKJKWIWLRCQ-UHFFFAOYSA-N 1 0 212.297 -0.175 20 30 BBEDRO CNC(NCCN(C)CCOC)=[NH+]C ZINC000303405721 644822110 /nfs/dbraw/zinc/82/21/10/644822110.db2.gz QKROMPVUVUJMFN-UHFFFAOYSA-N 1 0 202.302 -0.641 20 30 BBEDRO C[NH+]=C(NCC(=O)NCCOC)NC1CC1 ZINC000303408859 644821306 /nfs/dbraw/zinc/82/13/06/644821306.db2.gz UREHSOOILPGJCU-UHFFFAOYSA-N 1 0 228.296 -0.924 20 30 BBEDRO C[NH+]=C(NCCCS(C)(=O)=O)NC1CC1 ZINC000303411133 636309407 /nfs/dbraw/zinc/30/94/07/636309407.db2.gz WVAQRBXZYSLZDB-UHFFFAOYSA-N 1 0 233.337 -0.252 20 30 BBEDRO C[NH+]=C(NCCCNS(C)(=O)=O)NC1CC1 ZINC000303412410 644822140 /nfs/dbraw/zinc/82/21/40/644822140.db2.gz YDPVCFLFCSGDGL-UHFFFAOYSA-N 1 0 248.352 -0.747 20 30 BBEDRO CCNC(NCCS(=O)(=O)CC)=[NH+]CC ZINC000303413373 644821213 /nfs/dbraw/zinc/82/12/13/644821213.db2.gz ZAPFVRKKJGAMNI-UHFFFAOYSA-N 1 0 235.353 -0.004 20 30 BBEDRO C[NH+]=C(NCCOC)NCCN1CCOCC1 ZINC000303413575 644821270 /nfs/dbraw/zinc/82/12/70/644821270.db2.gz ZFOIRQNUFVUZIJ-UHFFFAOYSA-N 1 0 244.339 -0.870 20 30 BBEDRO C[NH+]=C(NCCS(C)(=O)=O)NC(C)(C)C ZINC000303464801 644826278 /nfs/dbraw/zinc/82/62/78/644826278.db2.gz CVAOXEUMYURBOA-UHFFFAOYSA-N 1 0 235.353 -0.006 20 30 BBEDRO C=CCNC(NCCN1CCOCC1)=[NH+]C ZINC000303557721 644830772 /nfs/dbraw/zinc/83/07/72/644830772.db2.gz LPMLSTSRTPIZIY-UHFFFAOYSA-N 1 0 226.324 -0.330 20 30 BBEDRO COCCCNC(=[NH2+])N1CCOCC1 ZINC000303715366 644840145 /nfs/dbraw/zinc/84/01/45/644840145.db2.gz SBFJWAMGBHWGBM-UHFFFAOYSA-N 1 0 201.270 -0.330 20 30 BBEDRO N#CCCNC(=O)C[N@H+]1CCC[C@H]1CCO ZINC000303741694 644841666 /nfs/dbraw/zinc/84/16/66/644841666.db2.gz LEUVYQSSAQGJGH-JTQLQIEISA-N 1 0 225.292 -0.137 20 30 BBEDRO N#CCCNC(=O)C[N@H+]1CCC[C@@H]1CCO ZINC000303741695 644842314 /nfs/dbraw/zinc/84/23/14/644842314.db2.gz LEUVYQSSAQGJGH-SNVBAGLBSA-N 1 0 225.292 -0.137 20 30 BBEDRO COCCNC(=O)CNC(=[NH2+])NCCC(C)C ZINC000303768917 644845031 /nfs/dbraw/zinc/84/50/31/644845031.db2.gz AQKNJJFOYIHOGD-UHFFFAOYSA-N 1 0 244.339 -0.301 20 30 BBEDRO CC(=O)NCCNC(=[NH2+])N1CCCCC1 ZINC000303768983 644845189 /nfs/dbraw/zinc/84/51/89/644845189.db2.gz ARLGZQURDWSIIE-UHFFFAOYSA-N 1 0 212.297 -0.077 20 30 BBEDRO CC(C)C(=O)NCCNC(=[NH2+])N1CCOCC1 ZINC000303771981 644844903 /nfs/dbraw/zinc/84/49/03/644844903.db2.gz DEMSAUZUCBLZGI-UHFFFAOYSA-N 1 0 242.323 -0.595 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])N[C@H](C)COC ZINC000303772308 644845019 /nfs/dbraw/zinc/84/50/19/644845019.db2.gz DNAHXWHWCYQJNB-MRVPVSSYSA-N 1 0 230.312 -0.548 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])N[C@@H](C)COC ZINC000303772309 644844670 /nfs/dbraw/zinc/84/46/70/644844670.db2.gz DNAHXWHWCYQJNB-QMMMGPOBSA-N 1 0 230.312 -0.548 20 30 BBEDRO CN(C)C(=O)CNC(=[NH2+])N1CCCCC1 ZINC000303773727 644844435 /nfs/dbraw/zinc/84/44/35/644844435.db2.gz FJUNIPZWFGQAOW-UHFFFAOYSA-N 1 0 212.297 -0.125 20 30 BBEDRO COCCOCCCNC(=[NH2+])N1CCOCC1 ZINC000303774423 644844305 /nfs/dbraw/zinc/84/43/05/644844305.db2.gz FWZCMJOJHUVVAF-UHFFFAOYSA-N 1 0 245.323 -0.314 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCCC(=O)NC(C)C ZINC000303779354 644846506 /nfs/dbraw/zinc/84/65/06/644846506.db2.gz KKAPXYIHXVPPEI-SECBINFHSA-N 1 0 244.339 -0.160 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCC(=O)NC(C)C ZINC000303779355 644845869 /nfs/dbraw/zinc/84/58/69/644845869.db2.gz KKAPXYIHXVPPEI-VIFPVBQESA-N 1 0 244.339 -0.160 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])N1CCOCC1 ZINC000303780143 644845945 /nfs/dbraw/zinc/84/59/45/644845945.db2.gz LBYJAZZWZLITRF-UHFFFAOYSA-N 1 0 228.296 -0.841 20 30 BBEDRO COCCNC(=O)CNC(=[NH2+])NCC1CCC1 ZINC000303780754 644846852 /nfs/dbraw/zinc/84/68/52/644846852.db2.gz LPABDHRHYGQBNA-UHFFFAOYSA-N 1 0 242.323 -0.547 20 30 BBEDRO CCOCCCNC(=[NH2+])NCC(=O)NC1CC1 ZINC000303781404 636312945 /nfs/dbraw/zinc/31/29/45/636312945.db2.gz MDJPHDKDRLSOKD-UHFFFAOYSA-N 1 0 242.323 -0.404 20 30 BBEDRO CCCCNC(=[NH2+])NCCNC(C)=O ZINC000303782368 644846396 /nfs/dbraw/zinc/84/63/96/644846396.db2.gz NEGBDBCAFIIPTD-UHFFFAOYSA-N 1 0 200.286 -0.173 20 30 BBEDRO COCCNC(=O)C[NH+]=C(N(C)C)N(C)C ZINC000303783121 644846536 /nfs/dbraw/zinc/84/65/36/644846536.db2.gz NXPLLJQJFFXBCT-UHFFFAOYSA-N 1 0 230.312 -0.772 20 30 BBEDRO CCCCNC(=[NH2+])NCC(=O)NC1CC1 ZINC000303783553 644846654 /nfs/dbraw/zinc/84/66/54/644846654.db2.gz OJBQXSPRIZZPNP-UHFFFAOYSA-N 1 0 212.297 -0.031 20 30 BBEDRO CCCNC(=O)C[NH+]=C(N(C)C)N(C)C ZINC000303784859 636313722 /nfs/dbraw/zinc/31/37/22/636313722.db2.gz PUHZQFWVJIHPTD-UHFFFAOYSA-N 1 0 214.313 -0.008 20 30 BBEDRO CC(C)NC(=O)CCNC(=[NH2+])N1CCOCC1 ZINC000303785412 644846632 /nfs/dbraw/zinc/84/66/32/644846632.db2.gz QHJGTOVPHGJTKK-UHFFFAOYSA-N 1 0 242.323 -0.452 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCCNC(=O)C(C)C ZINC000303786317 644847056 /nfs/dbraw/zinc/84/70/56/644847056.db2.gz RETOCPXFHXBCHF-SECBINFHSA-N 1 0 244.339 -0.302 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCNC(=O)C(C)C ZINC000303786318 644846026 /nfs/dbraw/zinc/84/60/26/644846026.db2.gz RETOCPXFHXBCHF-VIFPVBQESA-N 1 0 244.339 -0.302 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])N1CCSCC1 ZINC000303786324 644846111 /nfs/dbraw/zinc/84/61/11/644846111.db2.gz RFDFTBVEOGLWOZ-UHFFFAOYSA-N 1 0 244.364 -0.124 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303787243 644846068 /nfs/dbraw/zinc/84/60/68/644846068.db2.gz SILLUFPMGSNPCL-MRVPVSSYSA-N 1 0 242.323 -0.548 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303787244 644845670 /nfs/dbraw/zinc/84/56/70/644845670.db2.gz SILLUFPMGSNPCL-QMMMGPOBSA-N 1 0 242.323 -0.548 20 30 BBEDRO CCN(CC)C(=[NH2+])NCC(=O)NCCOC ZINC000303787751 644846202 /nfs/dbraw/zinc/84/62/02/644846202.db2.gz STCWURKYIMKQJI-UHFFFAOYSA-N 1 0 230.312 -0.595 20 30 BBEDRO CCOCCCNC(=[NH2+])NCC(=O)N(C)C ZINC000303788438 644846427 /nfs/dbraw/zinc/84/64/27/644846427.db2.gz UHUUIEKJZSHPJR-UHFFFAOYSA-N 1 0 230.312 -0.595 20 30 BBEDRO CCOCCCNC(=[NH2+])NCCNC(C)=O ZINC000303788824 644846823 /nfs/dbraw/zinc/84/68/23/644846823.db2.gz UTVVWVHUINZHHH-UHFFFAOYSA-N 1 0 230.312 -0.547 20 30 BBEDRO CN(C)C(=O)CNC(=[NH2+])NCC1CCC1 ZINC000303789287 644846105 /nfs/dbraw/zinc/84/61/05/644846105.db2.gz VFLBIDSPZXCHPX-UHFFFAOYSA-N 1 0 212.297 -0.221 20 30 BBEDRO CCCCNC(=[NH2+])NCC(=O)NCCOC ZINC000303789452 644847021 /nfs/dbraw/zinc/84/70/21/644847021.db2.gz VJCXEAOJPVRSAF-UHFFFAOYSA-N 1 0 230.312 -0.547 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCC(=O)NC1CC1 ZINC000303789749 644846218 /nfs/dbraw/zinc/84/62/18/644846218.db2.gz VRQMEZXCKKVWQY-SSDOTTSWSA-N 1 0 228.296 -0.796 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCC(=O)NC1CC1 ZINC000303789750 644846122 /nfs/dbraw/zinc/84/61/22/644846122.db2.gz VRQMEZXCKKVWQY-ZETCQYMHSA-N 1 0 228.296 -0.796 20 30 BBEDRO CCCCNC(=[NH2+])NCCNS(C)(=O)=O ZINC000303789900 644846070 /nfs/dbraw/zinc/84/60/70/644846070.db2.gz VUIWKSANBOAMJC-UHFFFAOYSA-N 1 0 236.341 -0.760 20 30 BBEDRO CCN(CC)C(=[NH2+])NCCNS(C)(=O)=O ZINC000303790722 644845905 /nfs/dbraw/zinc/84/59/05/644845905.db2.gz WSRPICOBBIBGJU-UHFFFAOYSA-N 1 0 236.341 -0.808 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])NCCCOCC ZINC000303791184 644846473 /nfs/dbraw/zinc/84/64/73/644846473.db2.gz XDARSIXPONOUOW-UHFFFAOYSA-N 1 0 244.339 -0.157 20 30 BBEDRO CCOCCNC(=[NH2+])N[C@H](C)COC ZINC000303791963 644848316 /nfs/dbraw/zinc/84/83/16/644848316.db2.gz YAEGLSSNWMANDL-MRVPVSSYSA-N 1 0 203.286 -0.038 20 30 BBEDRO CCOCCNC(=[NH2+])N[C@@H](C)COC ZINC000303791965 644847786 /nfs/dbraw/zinc/84/77/86/644847786.db2.gz YAEGLSSNWMANDL-QMMMGPOBSA-N 1 0 203.286 -0.038 20 30 BBEDRO CCCCNC(=[NH2+])NCC(=O)N(C)C ZINC000303793553 644848135 /nfs/dbraw/zinc/84/81/35/644848135.db2.gz ZNQQIWJKPMWTMK-UHFFFAOYSA-N 1 0 200.286 -0.221 20 30 BBEDRO COCCNC(=O)CNC(=[NH2+])N1CCCCC1 ZINC000303793592 644848268 /nfs/dbraw/zinc/84/82/68/644848268.db2.gz ZQTCAFMXBQSYOV-UHFFFAOYSA-N 1 0 242.323 -0.450 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000303796513 644846283 /nfs/dbraw/zinc/84/62/83/644846283.db2.gz DLICDEYALCINIV-JTQLQIEISA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000303796514 644846306 /nfs/dbraw/zinc/84/63/06/644846306.db2.gz DLICDEYALCINIV-SNVBAGLBSA-N 1 0 224.304 -0.171 20 30 BBEDRO CC(C)(CNC(=[NH2+])N1CCOCC1)C(N)=O ZINC000303863621 644851055 /nfs/dbraw/zinc/85/10/55/644851055.db2.gz AHZYCLKXYPXRAI-UHFFFAOYSA-N 1 0 228.296 -0.855 20 30 BBEDRO CCCCNC(=[NH2+])NCCS(C)(=O)=O ZINC000303867538 644850912 /nfs/dbraw/zinc/85/09/12/644850912.db2.gz AAKDYZGPOHPDET-UHFFFAOYSA-N 1 0 221.326 -0.265 20 30 BBEDRO [NH2+]=C(NCc1cc[nH]n1)N1CCOCC1 ZINC000303869230 644851254 /nfs/dbraw/zinc/85/12/54/644851254.db2.gz DSUKVJCKSHVXRY-UHFFFAOYSA-N 1 0 209.253 -0.443 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCCn1cccn1 ZINC000303873928 644853045 /nfs/dbraw/zinc/85/30/45/644853045.db2.gz GZNMWDZRGOEBAQ-SECBINFHSA-N 1 0 225.296 -0.178 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCn1cccn1 ZINC000303873930 644852136 /nfs/dbraw/zinc/85/21/36/644852136.db2.gz GZNMWDZRGOEBAQ-VIFPVBQESA-N 1 0 225.296 -0.178 20 30 BBEDRO COCCOCCNC(=[NH2+])N[C@H](C)COC ZINC000303874781 644853300 /nfs/dbraw/zinc/85/33/00/644853300.db2.gz HILSUTMKMNUPJF-SECBINFHSA-N 1 0 233.312 -0.411 20 30 BBEDRO COCCOCCNC(=[NH2+])N[C@@H](C)COC ZINC000303874783 644852219 /nfs/dbraw/zinc/85/22/19/644852219.db2.gz HILSUTMKMNUPJF-VIFPVBQESA-N 1 0 233.312 -0.411 20 30 BBEDRO [NH2+]=C(NC[C@@H](O)c1ccco1)N1CCOCC1 ZINC000303876120 644852626 /nfs/dbraw/zinc/85/26/26/644852626.db2.gz DQJIFAHUEQYTMJ-SECBINFHSA-N 1 0 239.275 -0.040 20 30 BBEDRO [NH2+]=C(NC[C@H](O)c1ccco1)N1CCOCC1 ZINC000303876121 644853303 /nfs/dbraw/zinc/85/33/03/644853303.db2.gz DQJIFAHUEQYTMJ-VIFPVBQESA-N 1 0 239.275 -0.040 20 30 BBEDRO CN(C)C(=O)CCNC(=[NH2+])N1CCOCC1 ZINC000303880520 644854677 /nfs/dbraw/zinc/85/46/77/644854677.db2.gz KHEVXQVPWOCKAG-UHFFFAOYSA-N 1 0 228.296 -0.888 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303889355 644853974 /nfs/dbraw/zinc/85/39/74/644853974.db2.gz PLCZJTKAGZPLLY-SSDOTTSWSA-N 1 0 230.312 -0.563 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303889357 644854853 /nfs/dbraw/zinc/85/48/53/644854853.db2.gz PLCZJTKAGZPLLY-ZETCQYMHSA-N 1 0 230.312 -0.563 20 30 BBEDRO CN(C)C(=[NH+]CCS(C)(=O)=O)N(C)C ZINC000303890930 644854009 /nfs/dbraw/zinc/85/40/09/644854009.db2.gz MWHVPERDACMTBW-UHFFFAOYSA-N 1 0 221.326 -0.490 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCCC(=O)N(C)C ZINC000303891324 636314878 /nfs/dbraw/zinc/31/48/78/636314878.db2.gz QPUMBLAJAFGCEA-MRVPVSSYSA-N 1 0 230.312 -0.596 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCC(=O)N(C)C ZINC000303891326 644854879 /nfs/dbraw/zinc/85/48/79/644854879.db2.gz QPUMBLAJAFGCEA-QMMMGPOBSA-N 1 0 230.312 -0.596 20 30 BBEDRO CCOCCCNC(=[NH2+])NCCC(=O)N(C)C ZINC000303893726 644853926 /nfs/dbraw/zinc/85/39/26/644853926.db2.gz SCYAKDZXYMISJA-UHFFFAOYSA-N 1 0 244.339 -0.204 20 30 BBEDRO CN(C)C(=O)CCNC(=[NH2+])N1CCSCC1 ZINC000303893945 644854884 /nfs/dbraw/zinc/85/48/84/644854884.db2.gz SGPILSOEMALZLE-UHFFFAOYSA-N 1 0 244.364 -0.172 20 30 BBEDRO COCCOCCNC(=[NH2+])N1CCOCC1 ZINC000303896839 644855490 /nfs/dbraw/zinc/85/54/90/644855490.db2.gz UVEPORPVBRXLIH-UHFFFAOYSA-N 1 0 231.296 -0.704 20 30 BBEDRO CCCNC(=[NH2+])NCCNS(=O)(=O)CC ZINC000303897594 644855772 /nfs/dbraw/zinc/85/57/72/644855772.db2.gz QQLPNJPQLJOTPJ-UHFFFAOYSA-N 1 0 236.341 -0.760 20 30 BBEDRO CC(C)CCNC(=[NH2+])NCCS(C)(=O)=O ZINC000303901260 635934217 /nfs/dbraw/zinc/93/42/17/635934217.db2.gz SOZIZIFSZJZUIC-UHFFFAOYSA-N 1 0 235.353 -0.019 20 30 BBEDRO CS(=O)(=O)CCNC(=[NH2+])N1CCCCC1 ZINC000303902845 644856190 /nfs/dbraw/zinc/85/61/90/644856190.db2.gz UFDNDFYJNKVRAM-UHFFFAOYSA-N 1 0 233.337 -0.168 20 30 BBEDRO CCCNC(=O)CCNC(=[NH2+])N1CCOCC1 ZINC000303902922 644856517 /nfs/dbraw/zinc/85/65/17/644856517.db2.gz YBXFNIKEYDREHW-UHFFFAOYSA-N 1 0 242.323 -0.450 20 30 BBEDRO CN(C)C(=[NH+]CCCS(C)(=O)=O)N(C)C ZINC000303903070 644856650 /nfs/dbraw/zinc/85/66/50/644856650.db2.gz YEVALFLJLVWWNR-UHFFFAOYSA-N 1 0 235.353 -0.100 20 30 BBEDRO CCS(=O)(=O)NCCNC(=[NH2+])NC(C)C ZINC000303904132 644856322 /nfs/dbraw/zinc/85/63/22/644856322.db2.gz UTFIHKAFWKBHMX-UHFFFAOYSA-N 1 0 236.341 -0.762 20 30 BBEDRO COC(=O)[C@H](C)CNC(=[NH2+])N1CCOCC1 ZINC000303969082 644860464 /nfs/dbraw/zinc/86/04/64/644860464.db2.gz BLHCZZYHKZJGIN-MRVPVSSYSA-N 1 0 229.280 -0.558 20 30 BBEDRO COC(=O)[C@@H](C)CNC(=[NH2+])N1CCOCC1 ZINC000303969083 635934576 /nfs/dbraw/zinc/93/45/76/635934576.db2.gz BLHCZZYHKZJGIN-QMMMGPOBSA-N 1 0 229.280 -0.558 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000303969708 644861531 /nfs/dbraw/zinc/86/15/31/644861531.db2.gz BZXADVDPJCFWMQ-HTQZYQBOSA-N 1 0 231.296 -0.265 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H](C)C(=O)OC ZINC000303969709 644860410 /nfs/dbraw/zinc/86/04/10/644860410.db2.gz BZXADVDPJCFWMQ-JGVFFNPUSA-N 1 0 231.296 -0.265 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000303969710 636318869 /nfs/dbraw/zinc/31/88/69/636318869.db2.gz BZXADVDPJCFWMQ-SFYZADRCSA-N 1 0 231.296 -0.265 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@H](C)C(=O)OC ZINC000303969711 636317836 /nfs/dbraw/zinc/31/78/36/636317836.db2.gz BZXADVDPJCFWMQ-YUMQZZPRSA-N 1 0 231.296 -0.265 20 30 BBEDRO CCN(CC)C(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303974023 535389384 /nfs/dbraw/zinc/38/93/84/535389384.db2.gz HLGDLTXDDFFAOI-JTQLQIEISA-N 1 0 228.340 -0.027 20 30 BBEDRO CCN(CC)C(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303974024 535389559 /nfs/dbraw/zinc/38/95/59/535389559.db2.gz HLGDLTXDDFFAOI-SNVBAGLBSA-N 1 0 228.340 -0.027 20 30 BBEDRO COCCN(C)CCNC(=[NH2+])N[C@@H](C)COC ZINC000303979145 644862541 /nfs/dbraw/zinc/86/25/41/644862541.db2.gz MTJCDCJMBFNCAW-JTQLQIEISA-N 1 0 246.355 -0.496 20 30 BBEDRO COCCN(C)CCNC(=[NH2+])N[C@H](C)COC ZINC000303979146 644863156 /nfs/dbraw/zinc/86/31/56/644863156.db2.gz MTJCDCJMBFNCAW-SNVBAGLBSA-N 1 0 246.355 -0.496 20 30 BBEDRO CCCNC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000303979421 644864014 /nfs/dbraw/zinc/86/40/14/644864014.db2.gz NDFMUTJEPHUEGO-UHFFFAOYSA-N 1 0 248.352 -0.664 20 30 BBEDRO CCS(=O)(=O)CC[NH+]=C(N(C)C)N(C)C ZINC000303980286 636321594 /nfs/dbraw/zinc/32/15/94/636321594.db2.gz OBXKJDZDFQVZML-UHFFFAOYSA-N 1 0 235.353 -0.100 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303989404 536520892 /nfs/dbraw/zinc/52/08/92/536520892.db2.gz XNHJPUSIBKXMMA-NXEZZACHSA-N 1 0 244.339 -0.744 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303989406 134235837 /nfs/dbraw/zinc/23/58/37/134235837.db2.gz XNHJPUSIBKXMMA-UWVGGRQHSA-N 1 0 244.339 -0.744 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303989407 134235825 /nfs/dbraw/zinc/23/58/25/134235825.db2.gz XNHJPUSIBKXMMA-VHSXEESVSA-N 1 0 244.339 -0.744 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303989408 536520626 /nfs/dbraw/zinc/52/06/26/536520626.db2.gz XNHJPUSIBKXMMA-ZJUUUORDSA-N 1 0 244.339 -0.744 20 30 BBEDRO CNC(NCC(C)(C)NS(C)(=O)=O)=[NH+]C ZINC000303996813 644863795 /nfs/dbraw/zinc/86/37/95/644863795.db2.gz PKHUNKZEORYRDE-UHFFFAOYSA-N 1 0 236.341 -0.891 20 30 BBEDRO CNC(=[NH2+])NCCS(=O)(=O)C(C)(C)C ZINC000304015034 644866606 /nfs/dbraw/zinc/86/66/06/644866606.db2.gz JIOHQADIDSCHHF-UHFFFAOYSA-N 1 0 221.326 -0.266 20 30 BBEDRO C=CCNC(=[NH2+])NCC(C)(C)NS(C)(=O)=O ZINC000304023317 635934298 /nfs/dbraw/zinc/93/42/98/635934298.db2.gz YQNYIBWRHZBSDD-UHFFFAOYSA-N 1 0 248.352 -0.596 20 30 BBEDRO CNC(NCCS(=O)(=O)C(C)(C)C)=[NH+]C ZINC000304028858 644866840 /nfs/dbraw/zinc/86/68/40/644866840.db2.gz UYFOGDARELBSJO-UHFFFAOYSA-N 1 0 235.353 -0.006 20 30 BBEDRO C=CCOCCNC(=O)CN1CC[NH2+]CC1 ZINC000304191313 383949301 /nfs/dbraw/zinc/94/93/01/383949301.db2.gz ANJUEUGELNFIQX-UHFFFAOYSA-N 1 0 227.308 -0.790 20 30 BBEDRO CNC(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000304203565 644875796 /nfs/dbraw/zinc/87/57/96/644875796.db2.gz BBEYKMNSFQBOBG-MRVPVSSYSA-N 1 0 201.270 -0.284 20 30 BBEDRO CNC(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000304203567 644874661 /nfs/dbraw/zinc/87/46/61/644874661.db2.gz BBEYKMNSFQBOBG-QMMMGPOBSA-N 1 0 201.270 -0.284 20 30 BBEDRO C=CCOCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000304211390 487482322 /nfs/dbraw/zinc/48/23/22/487482322.db2.gz FGIIJZWVFXCUJF-JTQLQIEISA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000304211392 487481917 /nfs/dbraw/zinc/48/19/17/487481917.db2.gz FGIIJZWVFXCUJF-SNVBAGLBSA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000304242342 487483087 /nfs/dbraw/zinc/48/30/87/487483087.db2.gz ODTZUOKOMICVKI-JTQLQIEISA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000304242344 487483244 /nfs/dbraw/zinc/48/32/44/487483244.db2.gz ODTZUOKOMICVKI-SNVBAGLBSA-N 1 0 228.292 -0.316 20 30 BBEDRO C#CCNC(=O)C[N@H+](CC)CCOCCO ZINC000304248225 644881759 /nfs/dbraw/zinc/88/17/59/644881759.db2.gz QBXOVTXTONXREV-UHFFFAOYSA-N 1 0 228.292 -0.933 20 30 BBEDRO C[C@H](CNC(N)=[NH2+])CN1CCOCC1 ZINC000304250333 134236668 /nfs/dbraw/zinc/23/66/68/134236668.db2.gz BRGFZRSGWNDVPH-MRVPVSSYSA-N 1 0 200.286 -0.772 20 30 BBEDRO C[C@@H](CNC(N)=[NH2+])CN1CCOCC1 ZINC000304250334 134236641 /nfs/dbraw/zinc/23/66/41/134236641.db2.gz BRGFZRSGWNDVPH-QMMMGPOBSA-N 1 0 200.286 -0.772 20 30 BBEDRO CNC(NC[C@H](C)CN1CCOCC1)=[NH+]C ZINC000304253496 635939649 /nfs/dbraw/zinc/93/96/49/635939649.db2.gz CNKHVHWGJZIZEP-JTQLQIEISA-N 1 0 228.340 -0.251 20 30 BBEDRO CNC(NC[C@@H](C)CN1CCOCC1)=[NH+]C ZINC000304253498 644882878 /nfs/dbraw/zinc/88/28/78/644882878.db2.gz CNKHVHWGJZIZEP-SNVBAGLBSA-N 1 0 228.340 -0.251 20 30 BBEDRO C[C@H](C#N)OCCN1C[C@@H](CO)OC[C@@H]1C ZINC000304263551 644883794 /nfs/dbraw/zinc/88/37/94/644883794.db2.gz UJGSRDXAWQVUPO-AXFHLTTASA-N 1 0 228.292 -0.003 20 30 BBEDRO C[C@H](C#N)OCCN1C[C@H](CO)OC[C@@H]1C ZINC000304263555 644884130 /nfs/dbraw/zinc/88/41/30/644884130.db2.gz UJGSRDXAWQVUPO-HBNTYKKESA-N 1 0 228.292 -0.003 20 30 BBEDRO C[C@H](C#N)OCCN1C[C@@H](CO)OC[C@H]1C ZINC000304263557 644884426 /nfs/dbraw/zinc/88/44/26/644884426.db2.gz UJGSRDXAWQVUPO-MXWKQRLJSA-N 1 0 228.292 -0.003 20 30 BBEDRO C=CCOCCNC(=O)COC1(C)C[NH2+]C1 ZINC000304274628 487484679 /nfs/dbraw/zinc/48/46/79/487484679.db2.gz WFZZVDNNAXVASO-UHFFFAOYSA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000304277870 643693923 /nfs/dbraw/zinc/69/39/23/643693923.db2.gz WTCVQVGKUDUNOG-JTQLQIEISA-N 1 0 248.348 -0.140 20 30 BBEDRO C=CCOCCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000304277871 644883496 /nfs/dbraw/zinc/88/34/96/644883496.db2.gz WTCVQVGKUDUNOG-SNVBAGLBSA-N 1 0 248.348 -0.140 20 30 BBEDRO CNC(NCCN(C)CCCOC)=[NH+]C ZINC000304288148 636322344 /nfs/dbraw/zinc/32/23/44/636322344.db2.gz IWCXUEYSIWVSTL-UHFFFAOYSA-N 1 0 216.329 -0.251 20 30 BBEDRO CNC(=[NH2+])NCCCOC[C@H]1CCOC1 ZINC000304291594 644887931 /nfs/dbraw/zinc/88/79/31/644887931.db2.gz DRHRKUXAHMQIPM-SECBINFHSA-N 1 0 215.297 -0.036 20 30 BBEDRO CNC(=[NH2+])NCCCOC[C@@H]1CCOC1 ZINC000304291596 644888021 /nfs/dbraw/zinc/88/80/21/644888021.db2.gz DRHRKUXAHMQIPM-VIFPVBQESA-N 1 0 215.297 -0.036 20 30 BBEDRO CNC(=[NH2+])NC[C@@H](C)CN1CCOCC1 ZINC000304292247 644887493 /nfs/dbraw/zinc/88/74/93/644887493.db2.gz MQKNERSDNLGQRJ-SECBINFHSA-N 1 0 214.313 -0.511 20 30 BBEDRO CNC(=[NH2+])NC[C@H](C)CN1CCOCC1 ZINC000304292249 644887797 /nfs/dbraw/zinc/88/77/97/644887797.db2.gz MQKNERSDNLGQRJ-VIFPVBQESA-N 1 0 214.313 -0.511 20 30 BBEDRO C=CCNC(=[NH2+])NCCn1cnnc1CC ZINC000304292655 644887946 /nfs/dbraw/zinc/88/79/46/644887946.db2.gz JZYWCIODQKYUTM-UHFFFAOYSA-N 1 0 222.296 -0.069 20 30 BBEDRO CCc1nncn1CCNC(=[NH2+])NC1CC1 ZINC000304329365 644893638 /nfs/dbraw/zinc/89/36/38/644893638.db2.gz QZHYRAXEMJJZMV-UHFFFAOYSA-N 1 0 222.296 -0.093 20 30 BBEDRO CCc1nncn1CCNC(NC)=[NH+]C ZINC000304335225 644893468 /nfs/dbraw/zinc/89/34/68/644893468.db2.gz RXUFRZPZIFBJQD-UHFFFAOYSA-N 1 0 210.285 -0.365 20 30 BBEDRO CNC(NCC(C)(C)S(C)(=O)=O)=[NH+]C ZINC000304688918 635946965 /nfs/dbraw/zinc/94/69/65/635946965.db2.gz GTSINKZMGWYQNJ-UHFFFAOYSA-N 1 0 221.326 -0.396 20 30 BBEDRO C#CC[N@H+](CCO)CCN1CCOCC1 ZINC000304699833 644927883 /nfs/dbraw/zinc/92/78/83/644927883.db2.gz GXJHYOFBZSJMNI-UHFFFAOYSA-N 1 0 212.293 -0.754 20 30 BBEDRO CNC(=[NH2+])NCCCNC(=O)C1CCC1 ZINC000304744802 644929757 /nfs/dbraw/zinc/92/97/57/644929757.db2.gz UZNHTNAHAYLVJV-UHFFFAOYSA-N 1 0 212.297 -0.173 20 30 BBEDRO C=CCNC(=[NH2+])NCC(C)(C)S(C)(=O)=O ZINC000304748897 644929868 /nfs/dbraw/zinc/92/98/68/644929868.db2.gz WHQYWWBRMJBYOW-UHFFFAOYSA-N 1 0 233.337 -0.100 20 30 BBEDRO CC1(CNC(=[NH2+])N2CCOCC2)COC1 ZINC000304752522 644929855 /nfs/dbraw/zinc/92/98/55/644929855.db2.gz KHEZRKXHYHISMU-UHFFFAOYSA-N 1 0 213.281 -0.330 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCC1(C)COC1 ZINC000304755359 644927794 /nfs/dbraw/zinc/92/77/94/644927794.db2.gz MPYCEBGWHJFCSU-MRVPVSSYSA-N 1 0 215.297 -0.038 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCC1(C)COC1 ZINC000304755360 644927318 /nfs/dbraw/zinc/92/73/18/644927318.db2.gz MPYCEBGWHJFCSU-QMMMGPOBSA-N 1 0 215.297 -0.038 20 30 BBEDRO COCCNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000305034424 711785713 /nfs/dbraw/zinc/78/57/13/711785713.db2.gz RZKNVEAYFANMQG-JTQLQIEISA-N 1 0 245.323 -0.267 20 30 BBEDRO COCCNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000305034426 642631814 /nfs/dbraw/zinc/63/18/14/642631814.db2.gz RZKNVEAYFANMQG-SNVBAGLBSA-N 1 0 245.323 -0.267 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H]1CCCS1(=O)=O ZINC000305054288 642636138 /nfs/dbraw/zinc/63/61/38/642636138.db2.gz BOGYOOCTGMWRTQ-MRVPVSSYSA-N 1 0 231.321 -0.346 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H]1CCCS1(=O)=O ZINC000305054289 642634798 /nfs/dbraw/zinc/63/47/98/642634798.db2.gz BOGYOOCTGMWRTQ-QMMMGPOBSA-N 1 0 231.321 -0.346 20 30 BBEDRO C=CCC[C@@H](O)C[NH+]1CCN(CCO)CC1 ZINC000305057125 166297101 /nfs/dbraw/zinc/29/71/01/166297101.db2.gz FJTLTXJXPXPUNR-GFCCVEGCSA-N 1 0 228.336 -0.077 20 30 BBEDRO C=CCC[C@H](O)C[NH+]1CCN(CCO)CC1 ZINC000305057127 166303794 /nfs/dbraw/zinc/30/37/94/166303794.db2.gz FJTLTXJXPXPUNR-LBPRGKRZSA-N 1 0 228.336 -0.077 20 30 BBEDRO CCNC(NC[C@@H]1CC[C@H](C(N)=O)O1)=[NH+]CC ZINC000305068034 642635293 /nfs/dbraw/zinc/63/52/93/642635293.db2.gz IKYIBKUWYXZTCD-DTWKUNHWSA-N 1 0 242.323 -0.406 20 30 BBEDRO CCNC(NC[C@@H]1CC[C@@H](C(N)=O)O1)=[NH+]CC ZINC000305068035 642634300 /nfs/dbraw/zinc/63/43/00/642634300.db2.gz IKYIBKUWYXZTCD-IUCAKERBSA-N 1 0 242.323 -0.406 20 30 BBEDRO C[NH+]=C(NC[C@H]1CCCS1(=O)=O)NC1CC1 ZINC000305087372 642640251 /nfs/dbraw/zinc/64/02/51/642640251.db2.gz UZFMAEKRLOEJQI-SECBINFHSA-N 1 0 245.348 -0.109 20 30 BBEDRO C[NH+]=C(NC[C@@H]1CCCS1(=O)=O)NC1CC1 ZINC000305087373 642639669 /nfs/dbraw/zinc/63/96/69/642639669.db2.gz UZFMAEKRLOEJQI-VIFPVBQESA-N 1 0 245.348 -0.109 20 30 BBEDRO CCN(CC)C(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000305088465 711785944 /nfs/dbraw/zinc/78/59/44/711785944.db2.gz ORXMRXCUMHTALF-BDAKNGLRSA-N 1 0 242.323 -0.324 20 30 BBEDRO CCN(CC)C(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000305088466 711785932 /nfs/dbraw/zinc/78/59/32/711785932.db2.gz ORXMRXCUMHTALF-DTWKUNHWSA-N 1 0 242.323 -0.324 20 30 BBEDRO CCN(CC)C(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000305088468 711785937 /nfs/dbraw/zinc/78/59/37/711785937.db2.gz ORXMRXCUMHTALF-IUCAKERBSA-N 1 0 242.323 -0.324 20 30 BBEDRO CCN(CC)C(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000305088469 711785842 /nfs/dbraw/zinc/78/58/42/711785842.db2.gz ORXMRXCUMHTALF-RKDXNWHRSA-N 1 0 242.323 -0.324 20 30 BBEDRO CCCCNC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000305096799 642640141 /nfs/dbraw/zinc/64/01/41/642640141.db2.gz UMGQWXBWKHJSSC-BDAKNGLRSA-N 1 0 242.323 -0.276 20 30 BBEDRO CCCCNC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000305096800 642639446 /nfs/dbraw/zinc/63/94/46/642639446.db2.gz UMGQWXBWKHJSSC-DTWKUNHWSA-N 1 0 242.323 -0.276 20 30 BBEDRO CCCCNC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000305096801 642640431 /nfs/dbraw/zinc/64/04/31/642640431.db2.gz UMGQWXBWKHJSSC-IUCAKERBSA-N 1 0 242.323 -0.276 20 30 BBEDRO CCCCNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000305096802 643213360 /nfs/dbraw/zinc/21/33/60/643213360.db2.gz UMGQWXBWKHJSSC-RKDXNWHRSA-N 1 0 242.323 -0.276 20 30 BBEDRO C[NH+]=C(NCCCF)NCCN1CCOCC1 ZINC000305153377 635950632 /nfs/dbraw/zinc/95/06/32/635950632.db2.gz PIZPGYHVAKGCKS-UHFFFAOYSA-N 1 0 246.330 -0.157 20 30 BBEDRO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000305163675 388367170 /nfs/dbraw/zinc/36/71/70/388367170.db2.gz GPDNZZANGIQLLR-SECBINFHSA-N 1 0 225.292 -0.139 20 30 BBEDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000305163676 388367029 /nfs/dbraw/zinc/36/70/29/388367029.db2.gz GPDNZZANGIQLLR-VIFPVBQESA-N 1 0 225.292 -0.139 20 30 BBEDRO C#CC[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000305197069 526937120 /nfs/dbraw/zinc/93/71/20/526937120.db2.gz DVBDRRCHGCQPKI-JTQLQIEISA-N 1 0 211.261 -0.135 20 30 BBEDRO C#CC[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000305197071 526936972 /nfs/dbraw/zinc/93/69/72/526936972.db2.gz DVBDRRCHGCQPKI-SNVBAGLBSA-N 1 0 211.261 -0.135 20 30 BBEDRO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000305200894 323168112 /nfs/dbraw/zinc/16/81/12/323168112.db2.gz VXMZGUVIJNZTOX-NXEZZACHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000305200895 323168195 /nfs/dbraw/zinc/16/81/95/323168195.db2.gz VXMZGUVIJNZTOX-UWVGGRQHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000305200896 323168064 /nfs/dbraw/zinc/16/80/64/323168064.db2.gz VXMZGUVIJNZTOX-VHSXEESVSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000305200897 323168172 /nfs/dbraw/zinc/16/81/72/323168172.db2.gz VXMZGUVIJNZTOX-ZJUUUORDSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)NCC#N ZINC000305216772 533754767 /nfs/dbraw/zinc/75/47/67/533754767.db2.gz ILKBJKBRGXUWPN-ZJUUUORDSA-N 1 0 225.292 -0.139 20 30 BBEDRO CCNC(NC[C@@H]1C[NH+]2CCN1CC2)=[NH+]CC ZINC000305221436 385197218 /nfs/dbraw/zinc/19/72/18/385197218.db2.gz UCUKSXPBCOOADN-LLVKDONJSA-N 1 0 239.367 -0.439 20 30 BBEDRO CCNC(NC[C@H]1C[NH+]2CCN1CC2)=[NH+]CC ZINC000305221438 385197158 /nfs/dbraw/zinc/19/71/58/385197158.db2.gz UCUKSXPBCOOADN-NSHDSACASA-N 1 0 239.367 -0.439 20 30 BBEDRO C[N@@H+](CC(=O)NCC#N)C[C@H]1CCC[C@H]1O ZINC000305327052 134160394 /nfs/dbraw/zinc/16/03/94/134160394.db2.gz MLBGLWHSEAYOSB-NXEZZACHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCC[C@@H]1O ZINC000305327687 134160139 /nfs/dbraw/zinc/16/01/39/134160139.db2.gz MLBGLWHSEAYOSB-UWVGGRQHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCC[C@H]1O ZINC000305327688 135312635 /nfs/dbraw/zinc/31/26/35/135312635.db2.gz MLBGLWHSEAYOSB-VHSXEESVSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[N@@H+](CC(=O)NCC#N)C[C@H]1CCC[C@@H]1O ZINC000305327689 134160199 /nfs/dbraw/zinc/16/01/99/134160199.db2.gz MLBGLWHSEAYOSB-ZJUUUORDSA-N 1 0 225.292 -0.281 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305739396 642684223 /nfs/dbraw/zinc/68/42/23/642684223.db2.gz MWENDTNOTONZRK-GXSJLCMTSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000305739398 643623942 /nfs/dbraw/zinc/62/39/42/643623942.db2.gz MWENDTNOTONZRK-KOLCDFICSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305739400 643623846 /nfs/dbraw/zinc/62/38/46/643623846.db2.gz MWENDTNOTONZRK-MWLCHTKSSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000305739402 642682858 /nfs/dbraw/zinc/68/28/58/642682858.db2.gz MWENDTNOTONZRK-ONGXEEELSA-N 1 0 224.304 -0.173 20 30 BBEDRO CC[C@H](CO)NC(=[NH2+])N1CCOCC1 ZINC000305781097 642693836 /nfs/dbraw/zinc/69/38/36/642693836.db2.gz UEGACVJOCNJJCZ-MRVPVSSYSA-N 1 0 201.270 -0.596 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NCCCOCC ZINC000305785861 642694736 /nfs/dbraw/zinc/69/47/36/642694736.db2.gz BRUCGTDJXBHRCV-UHFFFAOYSA-N 1 0 242.323 -0.381 20 30 BBEDRO CCNC(NCC(=O)N1CCOCC1)=[NH+]CC ZINC000305788138 643631115 /nfs/dbraw/zinc/63/11/15/643631115.db2.gz SMIOKTHVUHNPPK-UHFFFAOYSA-N 1 0 242.323 -0.580 20 30 BBEDRO CCCCNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000305791701 636332426 /nfs/dbraw/zinc/33/24/26/636332426.db2.gz UBVLBWAIPBICAA-UHFFFAOYSA-N 1 0 242.323 -0.450 20 30 BBEDRO CC1(CCNC(=[NH2+])N2CCOCC2)OCCO1 ZINC000305795473 636333561 /nfs/dbraw/zinc/33/35/61/636333561.db2.gz ACDVORQAYHPPRN-UHFFFAOYSA-N 1 0 243.307 -0.214 20 30 BBEDRO CCCNC(=O)CNC(=[NH2+])N(C)C1CC1 ZINC000305800126 642697688 /nfs/dbraw/zinc/69/76/88/642697688.db2.gz CUDVYWKWYHIBDQ-UHFFFAOYSA-N 1 0 212.297 -0.079 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000305801648 642699738 /nfs/dbraw/zinc/69/97/38/642699738.db2.gz XRECVDPZGJGCQL-SECBINFHSA-N 1 0 240.307 -0.628 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000305801649 642698821 /nfs/dbraw/zinc/69/88/21/642698821.db2.gz XRECVDPZGJGCQL-VIFPVBQESA-N 1 0 240.307 -0.628 20 30 BBEDRO CN(C(=[NH2+])NCCCOCCO)C1CC1 ZINC000305814672 636333707 /nfs/dbraw/zinc/33/37/07/636333707.db2.gz LMLGUVHYUDIZFV-UHFFFAOYSA-N 1 0 215.297 -0.206 20 30 BBEDRO CCCNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305815480 642701855 /nfs/dbraw/zinc/70/18/55/642701855.db2.gz OEKLURISOUYUSM-UHFFFAOYSA-N 1 0 212.297 -0.173 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NCC1CCC1 ZINC000305818902 642702234 /nfs/dbraw/zinc/70/22/34/642702234.db2.gz LTQSZBXCFBFBQK-UHFFFAOYSA-N 1 0 224.308 -0.007 20 30 BBEDRO CN(C(=[NH2+])NCC(C)(C)C(N)=O)C1CC1 ZINC000305821821 642704406 /nfs/dbraw/zinc/70/44/06/642704406.db2.gz PDCBJSFVQACXDS-UHFFFAOYSA-N 1 0 212.297 -0.093 20 30 BBEDRO CN(C(=[NH2+])NCCCNS(C)(=O)=O)C1CC1 ZINC000305823614 642703839 /nfs/dbraw/zinc/70/38/39/642703839.db2.gz QBNHGDCTZTZNCL-UHFFFAOYSA-N 1 0 248.352 -0.665 20 30 BBEDRO COCCNC(=O)CNC(=[NH2+])N(C)C1CC1 ZINC000305825875 636333844 /nfs/dbraw/zinc/33/38/44/636333844.db2.gz RAMDRDBEBNXTNX-UHFFFAOYSA-N 1 0 228.296 -0.842 20 30 BBEDRO CN(C(=[NH2+])NCCNC(=O)C1CC1)C1CC1 ZINC000305835734 642704649 /nfs/dbraw/zinc/70/46/49/642704649.db2.gz WOOCFVYRFOUPBJ-UHFFFAOYSA-N 1 0 224.308 -0.079 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NCC(=C)C ZINC000305838528 711772972 /nfs/dbraw/zinc/77/29/72/711772972.db2.gz QQFGGLHNKGCUJK-UHFFFAOYSA-N 1 0 210.281 -0.231 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305838911 711772998 /nfs/dbraw/zinc/77/29/98/711772998.db2.gz YGQUHBQOIDEUMV-MRVPVSSYSA-N 1 0 242.323 -0.548 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305838912 642705405 /nfs/dbraw/zinc/70/54/05/642705405.db2.gz YGQUHBQOIDEUMV-QMMMGPOBSA-N 1 0 242.323 -0.548 20 30 BBEDRO CN(C(=[NH2+])NCCN1CCOCC1)C1CC1 ZINC000305840166 642708774 /nfs/dbraw/zinc/70/87/74/642708774.db2.gz YSZJORPLITUSOQ-UHFFFAOYSA-N 1 0 226.324 -0.273 20 30 BBEDRO CN(C)C(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000305840923 642707768 /nfs/dbraw/zinc/70/77/68/642707768.db2.gz ZEXHQSKGBSPYEJ-UHFFFAOYSA-N 1 0 212.297 -0.126 20 30 BBEDRO [NH2+]=C(NCCCOCCO)N1CCSCC1 ZINC000305844850 642708373 /nfs/dbraw/zinc/70/83/73/642708373.db2.gz IDMPCCBAYCDBIE-UHFFFAOYSA-N 1 0 247.364 -0.251 20 30 BBEDRO COCCNC(=[NH2+])NCCc1ccnn1C ZINC000305846058 642709166 /nfs/dbraw/zinc/70/91/66/642709166.db2.gz CGVFINRBZXCEIP-UHFFFAOYSA-N 1 0 225.296 -0.487 20 30 BBEDRO COC[C@@H](C)NC(=[NH2+])NCCc1ccnn1C ZINC000305867002 642709318 /nfs/dbraw/zinc/70/93/18/642709318.db2.gz REPSOAZJLXZNRD-SECBINFHSA-N 1 0 239.323 -0.098 20 30 BBEDRO COC[C@H](C)NC(=[NH2+])NCCc1ccnn1C ZINC000305867003 642708010 /nfs/dbraw/zinc/70/80/10/642708010.db2.gz REPSOAZJLXZNRD-VIFPVBQESA-N 1 0 239.323 -0.098 20 30 BBEDRO [NH2+]=C(NCCCOCCO)N1CCOCC1 ZINC000305879822 636334904 /nfs/dbraw/zinc/33/49/04/636334904.db2.gz UCLSXHCAVVJJKN-UHFFFAOYSA-N 1 0 231.296 -0.968 20 30 BBEDRO C#C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C(C)C ZINC000305925886 384482989 /nfs/dbraw/zinc/48/29/89/384482989.db2.gz NKLOGVUPVIJKKE-CHWSQXEVSA-N 1 0 240.347 -0.073 20 30 BBEDRO C#C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C(C)C ZINC000305925888 384481792 /nfs/dbraw/zinc/48/17/92/384481792.db2.gz NKLOGVUPVIJKKE-OLZOCXBDSA-N 1 0 240.347 -0.073 20 30 BBEDRO C#C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C(C)C ZINC000305925889 384483133 /nfs/dbraw/zinc/48/31/33/384483133.db2.gz NKLOGVUPVIJKKE-QWHCGFSZSA-N 1 0 240.347 -0.073 20 30 BBEDRO C#C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C(C)C ZINC000305925891 256520859 /nfs/dbraw/zinc/52/08/59/256520859.db2.gz NKLOGVUPVIJKKE-STQMWFEESA-N 1 0 240.347 -0.073 20 30 BBEDRO C=CCOCCNC(=O)c1cn(CC[NH3+])nn1 ZINC000306026915 487604968 /nfs/dbraw/zinc/60/49/68/487604968.db2.gz MZXMHLVFIGPPCT-UHFFFAOYSA-N 1 0 239.279 -0.831 20 30 BBEDRO CS[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000306464610 360077012 /nfs/dbraw/zinc/07/70/12/360077012.db2.gz ATMNSOUDIODRQN-BWZBUEFSSA-N 1 0 213.306 -0.034 20 30 BBEDRO CS[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000306464611 360077335 /nfs/dbraw/zinc/07/73/35/360077335.db2.gz ATMNSOUDIODRQN-CSMHCCOUSA-N 1 0 213.306 -0.034 20 30 BBEDRO CS[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000306464612 360077105 /nfs/dbraw/zinc/07/71/05/360077105.db2.gz ATMNSOUDIODRQN-GJMOJQLCSA-N 1 0 213.306 -0.034 20 30 BBEDRO CS[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000306464613 360077493 /nfs/dbraw/zinc/07/74/93/360077493.db2.gz ATMNSOUDIODRQN-PRJMDXOYSA-N 1 0 213.306 -0.034 20 30 BBEDRO CNC(NC[C@]1(OC)CCOC1)=[NH+]C ZINC000306523553 643175626 /nfs/dbraw/zinc/17/56/26/643175626.db2.gz SZLFOQBAYAADSE-SECBINFHSA-N 1 0 201.270 -0.413 20 30 BBEDRO CNC(NC[C@@]1(OC)CCOC1)=[NH+]C ZINC000306523554 643176238 /nfs/dbraw/zinc/17/62/38/643176238.db2.gz SZLFOQBAYAADSE-VIFPVBQESA-N 1 0 201.270 -0.413 20 30 BBEDRO CNC(NC[C@]1(O)CCO[C@H]1C)=[NH+]C ZINC000306524395 635970023 /nfs/dbraw/zinc/97/00/23/635970023.db2.gz YCWGEYBFQDGMSK-IONNQARKSA-N 1 0 201.270 -0.679 20 30 BBEDRO CNC(NC[C@]1(O)CCO[C@@H]1C)=[NH+]C ZINC000306524396 643177306 /nfs/dbraw/zinc/17/73/06/643177306.db2.gz YCWGEYBFQDGMSK-VXNVDRBHSA-N 1 0 201.270 -0.679 20 30 BBEDRO CNC(NCCN1CCSCC1)=[NH+]C ZINC000306576271 643186934 /nfs/dbraw/zinc/18/69/34/643186934.db2.gz KHAKHYZJTSIKCT-UHFFFAOYSA-N 1 0 216.354 -0.170 20 30 BBEDRO CNC(NCC1(O)CCOCC1)=[NH+]C ZINC000306868270 635977095 /nfs/dbraw/zinc/97/70/95/635977095.db2.gz QKVNZALUQJHYFT-UHFFFAOYSA-N 1 0 201.270 -0.677 20 30 BBEDRO CNC(NC[C@H]1CCCS1(=O)=O)=[NH+]C ZINC000307160994 711773601 /nfs/dbraw/zinc/77/36/01/711773601.db2.gz FLNHVWUXLQLLLV-SSDOTTSWSA-N 1 0 219.310 -0.642 20 30 BBEDRO CNC(NC[C@@H]1CCCS1(=O)=O)=[NH+]C ZINC000307160996 711773713 /nfs/dbraw/zinc/77/37/13/711773713.db2.gz FLNHVWUXLQLLLV-ZETCQYMHSA-N 1 0 219.310 -0.642 20 30 BBEDRO C#CCNC(=O)CN1CCC[N@@H+](CC)CC1 ZINC000307824803 643672492 /nfs/dbraw/zinc/67/24/92/643672492.db2.gz SNRKUTVORKWQAK-UHFFFAOYSA-N 1 0 223.320 -0.237 20 30 BBEDRO Cn1c(Cl)cnc1C=NNC(N)=[NH2+] ZINC000308101494 353893412 /nfs/dbraw/zinc/89/34/12/353893412.db2.gz ADKOGNQNEIYYCZ-UHFFFAOYSA-N 1 0 200.633 -0.110 20 30 BBEDRO Cn1nc(Br)cc1C=NNC(N)=[NH2+] ZINC000308179327 642473837 /nfs/dbraw/zinc/47/38/37/642473837.db2.gz FJPIYNDWXFVAPB-UHFFFAOYSA-N 1 0 245.084 0.000 20 30 BBEDRO CC(=O)NCC[N@@H+](C)CCOCCC#N ZINC000308315280 347350451 /nfs/dbraw/zinc/35/04/51/347350451.db2.gz VBBJVDIWBSVLCB-UHFFFAOYSA-N 1 0 213.281 -0.015 20 30 BBEDRO CCNC(NCCNC(=O)OC)=[NH+]CC ZINC000308387334 528802548 /nfs/dbraw/zinc/80/25/48/528802548.db2.gz XRQOOPFBIINQSU-UHFFFAOYSA-N 1 0 216.285 -0.083 20 30 BBEDRO N#Cc1ncn(CC[NH2+]C2CSC2)n1 ZINC000308510851 346880217 /nfs/dbraw/zinc/88/02/17/346880217.db2.gz JJJPFGWWRQPFHC-UHFFFAOYSA-N 1 0 209.278 -0.145 20 30 BBEDRO C=CCCS(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000308527894 487665859 /nfs/dbraw/zinc/66/58/59/487665859.db2.gz RCFMLQRZCGLMAI-OCAPTIKFSA-N 1 0 204.295 -0.028 20 30 BBEDRO C=CCOCCNC(=O)[C@@H]([NH3+])COC ZINC000308535345 488206303 /nfs/dbraw/zinc/20/63/03/488206303.db2.gz LDLVVVOGNKPZCJ-QMMMGPOBSA-N 1 0 202.254 -0.721 20 30 BBEDRO C=CCOCCNC(=O)COCC[NH3+] ZINC000308566180 488207358 /nfs/dbraw/zinc/20/73/58/488207358.db2.gz YKOWUNSYQVDYRA-UHFFFAOYSA-N 1 0 202.254 -0.720 20 30 BBEDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)NCC#N ZINC000308648807 384888518 /nfs/dbraw/zinc/88/85/18/384888518.db2.gz JELGMAGIQUZZNE-HTQZYQBOSA-N 1 0 213.306 -0.033 20 30 BBEDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)NCC#N ZINC000308648808 384889262 /nfs/dbraw/zinc/88/92/62/384889262.db2.gz JELGMAGIQUZZNE-JGVFFNPUSA-N 1 0 213.306 -0.033 20 30 BBEDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000308648809 384889943 /nfs/dbraw/zinc/88/99/43/384889943.db2.gz JELGMAGIQUZZNE-SFYZADRCSA-N 1 0 213.306 -0.033 20 30 BBEDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000308648810 384889275 /nfs/dbraw/zinc/88/92/75/384889275.db2.gz JELGMAGIQUZZNE-YUMQZZPRSA-N 1 0 213.306 -0.033 20 30 BBEDRO C=CCOCCNC(=O)C[NH2+]CCOC ZINC000308778462 487471151 /nfs/dbraw/zinc/47/11/51/487471151.db2.gz BMPPNMPTNBEBKO-UHFFFAOYSA-N 1 0 216.281 -0.459 20 30 BBEDRO C[C@@H](C#N)OCC[N@H+](C)CCOCCO ZINC000308782332 633814685 /nfs/dbraw/zinc/81/46/85/633814685.db2.gz DGABDUWBPUKIAP-JTQLQIEISA-N 1 0 216.281 -0.144 20 30 BBEDRO C[C@H](C#N)OCC[N@H+](C)CCOCCO ZINC000308782333 631646586 /nfs/dbraw/zinc/64/65/86/631646586.db2.gz DGABDUWBPUKIAP-SNVBAGLBSA-N 1 0 216.281 -0.144 20 30 BBEDRO C=CCOCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000308804550 487512063 /nfs/dbraw/zinc/51/20/63/487512063.db2.gz OBRXTNWDZJBOSX-SECBINFHSA-N 1 0 214.265 -0.706 20 30 BBEDRO C=CCOCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000308804553 487512443 /nfs/dbraw/zinc/51/24/43/487512443.db2.gz OBRXTNWDZJBOSX-VIFPVBQESA-N 1 0 214.265 -0.706 20 30 BBEDRO CC[C@@H](C)[N@H+](CCO)CC(=O)NCC#N ZINC000308812431 346922088 /nfs/dbraw/zinc/92/20/88/346922088.db2.gz OFLXBODEBRKXLA-SECBINFHSA-N 1 0 213.281 -0.281 20 30 BBEDRO CC[C@H](C)[N@H+](CCO)CC(=O)NCC#N ZINC000308812434 346921493 /nfs/dbraw/zinc/92/14/93/346921493.db2.gz OFLXBODEBRKXLA-VIFPVBQESA-N 1 0 213.281 -0.281 20 30 BBEDRO CCNC(=O)CN(C)CCO[C@H](C)C#N ZINC000308829484 631678334 /nfs/dbraw/zinc/67/83/34/631678334.db2.gz SQGIKEBYNZQGKS-SECBINFHSA-N 1 0 213.281 -0.017 20 30 BBEDRO CCNC(=O)CN(C)CCO[C@@H](C)C#N ZINC000308829487 631677877 /nfs/dbraw/zinc/67/78/77/631677877.db2.gz SQGIKEBYNZQGKS-VIFPVBQESA-N 1 0 213.281 -0.017 20 30 BBEDRO N#Cc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ncn1 ZINC000308834159 348770849 /nfs/dbraw/zinc/77/08/49/348770849.db2.gz VNWIAZGLKYWLTL-MBTKJCJQSA-N 1 0 201.233 -0.022 20 30 BBEDRO C[C@@H](C[NH3+])NS(=O)(=O)N(C)CCC#N ZINC000308836517 385201631 /nfs/dbraw/zinc/20/16/31/385201631.db2.gz LNYKLQWIOPLGMV-ZETCQYMHSA-N 1 0 220.298 -0.987 20 30 BBEDRO CNC(=O)CC[N@H+](C)CCO[C@H](C)C#N ZINC000308842186 631904209 /nfs/dbraw/zinc/90/42/09/631904209.db2.gz ZGZVTFNHJLYRHB-SECBINFHSA-N 1 0 213.281 -0.017 20 30 BBEDRO CNC(=O)CC[N@H+](C)CCO[C@@H](C)C#N ZINC000308842187 631903099 /nfs/dbraw/zinc/90/30/99/631903099.db2.gz ZGZVTFNHJLYRHB-VIFPVBQESA-N 1 0 213.281 -0.017 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000308848795 633823618 /nfs/dbraw/zinc/82/36/18/633823618.db2.gz NGUKSPXZWSJGDA-LLVKDONJSA-N 1 0 212.293 -0.268 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000308848796 631696164 /nfs/dbraw/zinc/69/61/64/631696164.db2.gz NGUKSPXZWSJGDA-NSHDSACASA-N 1 0 212.293 -0.268 20 30 BBEDRO C#CCC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000308856597 631696222 /nfs/dbraw/zinc/69/62/22/631696222.db2.gz TZGXCROUTVNDCL-JTQLQIEISA-N 1 0 230.333 -0.025 20 30 BBEDRO C#CCC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000308856599 631696054 /nfs/dbraw/zinc/69/60/54/631696054.db2.gz TZGXCROUTVNDCL-SNVBAGLBSA-N 1 0 230.333 -0.025 20 30 BBEDRO CSCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000308864705 633825622 /nfs/dbraw/zinc/82/56/22/633825622.db2.gz DQGMCGBBEHIFDH-HTQZYQBOSA-N 1 0 213.306 -0.033 20 30 BBEDRO CSCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000308864706 631701661 /nfs/dbraw/zinc/70/16/61/631701661.db2.gz DQGMCGBBEHIFDH-JGVFFNPUSA-N 1 0 213.306 -0.033 20 30 BBEDRO CSCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000308864707 633825361 /nfs/dbraw/zinc/82/53/61/633825361.db2.gz DQGMCGBBEHIFDH-SFYZADRCSA-N 1 0 213.306 -0.033 20 30 BBEDRO CSCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000308864708 631702143 /nfs/dbraw/zinc/70/21/43/631702143.db2.gz DQGMCGBBEHIFDH-YUMQZZPRSA-N 1 0 213.306 -0.033 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CCO ZINC000308895306 409654202 /nfs/dbraw/zinc/65/42/02/409654202.db2.gz SFALGUKLYBWVLN-SECBINFHSA-N 1 0 211.265 -0.527 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCC[C@H]1CCO ZINC000308895307 385248427 /nfs/dbraw/zinc/24/84/27/385248427.db2.gz SFALGUKLYBWVLN-VIFPVBQESA-N 1 0 211.265 -0.527 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](COC)C1CC1 ZINC000308900275 631723234 /nfs/dbraw/zinc/72/32/34/631723234.db2.gz BDCRAFOIDWZZLA-JTQLQIEISA-N 1 0 210.277 -0.250 20 30 BBEDRO C#C[C@@H]([NH2+]CCOCCO)[C@H]1CCCO1 ZINC000308903267 632119515 /nfs/dbraw/zinc/11/95/15/632119515.db2.gz CPJGLSCTIZSYKH-GHMZBOCLSA-N 1 0 213.277 -0.234 20 30 BBEDRO C#C[C@@H]([NH2+]CCOCCO)[C@@H]1CCCO1 ZINC000308903271 633830871 /nfs/dbraw/zinc/83/08/71/633830871.db2.gz CPJGLSCTIZSYKH-MNOVXSKESA-N 1 0 213.277 -0.234 20 30 BBEDRO C#C[C@H]([NH2+]CCOCCO)[C@@H]1CCCO1 ZINC000308903275 631723123 /nfs/dbraw/zinc/72/31/23/631723123.db2.gz CPJGLSCTIZSYKH-QWRGUYRKSA-N 1 0 213.277 -0.234 20 30 BBEDRO C#C[C@H]([NH2+]CCOCCO)[C@H]1CCCO1 ZINC000308903279 632119684 /nfs/dbraw/zinc/11/96/84/632119684.db2.gz CPJGLSCTIZSYKH-WDEREUQCSA-N 1 0 213.277 -0.234 20 30 BBEDRO CNC(=O)[C@@H]([NH2+]CC#CCOC)C(C)C ZINC000308905642 491139987 /nfs/dbraw/zinc/13/99/87/491139987.db2.gz CKUXCGGSNHHBQP-JTQLQIEISA-N 1 0 212.293 -0.004 20 30 BBEDRO COCC#CC[NH2+]C1(CO)CCOCC1 ZINC000308911429 491050312 /nfs/dbraw/zinc/05/03/12/491050312.db2.gz DTYVDYVUAPZPNM-UHFFFAOYSA-N 1 0 213.277 -0.233 20 30 BBEDRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)NCC#N ZINC000308927354 385286548 /nfs/dbraw/zinc/28/65/48/385286548.db2.gz DLJISPFUOYRYGX-QMMMGPOBSA-N 1 0 213.281 -0.377 20 30 BBEDRO C=C[C@@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308928319 349123494 /nfs/dbraw/zinc/12/34/94/349123494.db2.gz IVBVOWIUWBFZRU-AEJSXWLSSA-N 1 0 210.277 -0.135 20 30 BBEDRO C=C[C@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308928321 349123943 /nfs/dbraw/zinc/12/39/43/349123943.db2.gz IVBVOWIUWBFZRU-KXUCPTDWSA-N 1 0 210.277 -0.135 20 30 BBEDRO C=C[C@H](C(=O)OC)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308928323 349123675 /nfs/dbraw/zinc/12/36/75/349123675.db2.gz IVBVOWIUWBFZRU-LPEHRKFASA-N 1 0 210.277 -0.135 20 30 BBEDRO C=C[C@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308928326 346940979 /nfs/dbraw/zinc/94/09/79/346940979.db2.gz IVBVOWIUWBFZRU-OPRDCNLKSA-N 1 0 210.277 -0.135 20 30 BBEDRO COCC#CC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000308968100 491141219 /nfs/dbraw/zinc/14/12/19/491141219.db2.gz XGWIPCIACQVPNO-NXEZZACHSA-N 1 0 210.277 -0.250 20 30 BBEDRO COCC#CC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000308968101 491141205 /nfs/dbraw/zinc/14/12/05/491141205.db2.gz XGWIPCIACQVPNO-UWVGGRQHSA-N 1 0 210.277 -0.250 20 30 BBEDRO COCC#CC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000308968102 491141240 /nfs/dbraw/zinc/14/12/40/491141240.db2.gz XGWIPCIACQVPNO-VHSXEESVSA-N 1 0 210.277 -0.250 20 30 BBEDRO COCC#CC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000308968103 491141190 /nfs/dbraw/zinc/14/11/90/491141190.db2.gz XGWIPCIACQVPNO-ZJUUUORDSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000308987940 631781163 /nfs/dbraw/zinc/78/11/63/631781163.db2.gz KEVATYIJYADJBF-SECBINFHSA-N 1 0 212.293 -0.268 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000308987945 632609777 /nfs/dbraw/zinc/60/97/77/632609777.db2.gz KEVATYIJYADJBF-VIFPVBQESA-N 1 0 212.293 -0.268 20 30 BBEDRO C[C@H](C[NH3+])NS(=O)(=O)N(C)CCC#N ZINC000308992529 136217169 /nfs/dbraw/zinc/21/71/69/136217169.db2.gz LNYKLQWIOPLGMV-SSDOTTSWSA-N 1 0 220.298 -0.987 20 30 BBEDRO C[C@@H](O)C[N@H+](CCO)CCO[C@H](C)C#N ZINC000308993279 632612101 /nfs/dbraw/zinc/61/21/01/632612101.db2.gz IXGFRAHBKOAOGD-NXEZZACHSA-N 1 0 216.281 -0.410 20 30 BBEDRO C[C@H](C#N)OCC[N@@H+](CCO)C[C@H](C)O ZINC000308993281 632611814 /nfs/dbraw/zinc/61/18/14/632611814.db2.gz IXGFRAHBKOAOGD-VHSXEESVSA-N 1 0 216.281 -0.410 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000308996939 631782949 /nfs/dbraw/zinc/78/29/49/631782949.db2.gz PYTHNPLUMZYWKC-SECBINFHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000308996940 631783422 /nfs/dbraw/zinc/78/34/22/631783422.db2.gz PYTHNPLUMZYWKC-VIFPVBQESA-N 1 0 210.277 -0.419 20 30 BBEDRO C=CCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000309019766 385932228 /nfs/dbraw/zinc/93/22/28/385932228.db2.gz TUJXERMBLPYINI-SECBINFHSA-N 1 0 234.321 -0.530 20 30 BBEDRO C=CCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309019767 385933810 /nfs/dbraw/zinc/93/38/10/385933810.db2.gz TUJXERMBLPYINI-VIFPVBQESA-N 1 0 234.321 -0.530 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000309031930 136274695 /nfs/dbraw/zinc/27/46/95/136274695.db2.gz FJHONPNXPFKFID-GHMZBOCLSA-N 1 0 214.309 -0.156 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H]1CCN(CCOC)C1 ZINC000309031931 534684311 /nfs/dbraw/zinc/68/43/11/534684311.db2.gz FJHONPNXPFKFID-MNOVXSKESA-N 1 0 214.309 -0.156 20 30 BBEDRO C=C[C@@H](CO)[NH2+][C@H]1CCN(CCOC)C1 ZINC000309031932 136274673 /nfs/dbraw/zinc/27/46/73/136274673.db2.gz FJHONPNXPFKFID-QWRGUYRKSA-N 1 0 214.309 -0.156 20 30 BBEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000309031933 136274711 /nfs/dbraw/zinc/27/47/11/136274711.db2.gz FJHONPNXPFKFID-WDEREUQCSA-N 1 0 214.309 -0.156 20 30 BBEDRO N#Cc1cncc(S(=O)(=O)NCC[NH3+])c1 ZINC000309049562 349406290 /nfs/dbraw/zinc/40/62/90/349406290.db2.gz OTKHJFRJNXGADK-UHFFFAOYSA-N 1 0 226.261 -0.810 20 30 BBEDRO N#CCCC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309064120 136274545 /nfs/dbraw/zinc/27/45/45/136274545.db2.gz YDECCOLVMQOUDL-JTQLQIEISA-N 1 0 211.265 -0.398 20 30 BBEDRO N#CCCC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309064121 136274550 /nfs/dbraw/zinc/27/45/50/136274550.db2.gz YDECCOLVMQOUDL-SNVBAGLBSA-N 1 0 211.265 -0.398 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000309145314 632647327 /nfs/dbraw/zinc/64/73/27/632647327.db2.gz UZSUQRIYHGBDNC-GXSJLCMTSA-N 1 0 210.277 -0.107 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000309145318 631912311 /nfs/dbraw/zinc/91/23/11/631912311.db2.gz UZSUQRIYHGBDNC-MWLCHTKSSA-N 1 0 210.277 -0.107 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000309145319 632647310 /nfs/dbraw/zinc/64/73/10/632647310.db2.gz UZSUQRIYHGBDNC-ONGXEEELSA-N 1 0 210.277 -0.107 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@]1(CC)CCOC1 ZINC000309203720 632809346 /nfs/dbraw/zinc/80/93/46/632809346.db2.gz RSZSRIFIOPDXEY-LLVKDONJSA-N 1 0 210.277 -0.106 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@]1(CC)CCOC1 ZINC000309203727 632809374 /nfs/dbraw/zinc/80/93/74/632809374.db2.gz RSZSRIFIOPDXEY-NSHDSACASA-N 1 0 210.277 -0.106 20 30 BBEDRO N#CCC1(C[N@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000309206807 350191313 /nfs/dbraw/zinc/19/13/13/350191313.db2.gz MROZPMRDFVMKFB-LLVKDONJSA-N 1 0 223.276 -0.398 20 30 BBEDRO N#CCC1(C[N@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000309206810 350191466 /nfs/dbraw/zinc/19/14/66/350191466.db2.gz MROZPMRDFVMKFB-NSHDSACASA-N 1 0 223.276 -0.398 20 30 BBEDRO N#Cc1cccn(C[C@@H]2C[NH2+]CCO2)c1=O ZINC000309219247 350203057 /nfs/dbraw/zinc/20/30/57/350203057.db2.gz QBJZEKFAJXJJEM-JTQLQIEISA-N 1 0 219.244 -0.292 20 30 BBEDRO N#Cc1cccn(C[C@H]2C[NH2+]CCO2)c1=O ZINC000309219249 350203348 /nfs/dbraw/zinc/20/33/48/350203348.db2.gz QBJZEKFAJXJJEM-SNVBAGLBSA-N 1 0 219.244 -0.292 20 30 BBEDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cnc(C#N)n1 ZINC000309250605 259342656 /nfs/dbraw/zinc/34/26/56/259342656.db2.gz MYTOELIMGYQOGH-SECBINFHSA-N 1 0 223.280 -0.149 20 30 BBEDRO CC(C)[N@H+](C)C[C@H](O)Cn1cnc(C#N)n1 ZINC000309250606 259342775 /nfs/dbraw/zinc/34/27/75/259342775.db2.gz MYTOELIMGYQOGH-VIFPVBQESA-N 1 0 223.280 -0.149 20 30 BBEDRO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)NCCC#N ZINC000309262001 632856907 /nfs/dbraw/zinc/85/69/07/632856907.db2.gz BMCCIGRCSUWDRR-SECBINFHSA-N 1 0 225.292 -0.139 20 30 BBEDRO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)NCCC#N ZINC000309262003 631985125 /nfs/dbraw/zinc/98/51/25/631985125.db2.gz BMCCIGRCSUWDRR-VIFPVBQESA-N 1 0 225.292 -0.139 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)n2ncc(C#N)c2N)C1 ZINC000309291947 631994700 /nfs/dbraw/zinc/99/47/00/631994700.db2.gz QLBSBDCLMPTZMP-SSDOTTSWSA-N 1 0 219.248 -0.071 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)n2ncc(C#N)c2N)C1 ZINC000309291951 632896200 /nfs/dbraw/zinc/89/62/00/632896200.db2.gz QLBSBDCLMPTZMP-ZETCQYMHSA-N 1 0 219.248 -0.071 20 30 BBEDRO COCC[N@H+](C)C[C@H](O)CN(C)CCC#N ZINC000309299292 350270078 /nfs/dbraw/zinc/27/00/78/350270078.db2.gz XVNKGHNASATEPD-LLVKDONJSA-N 1 0 229.324 -0.229 20 30 BBEDRO COCC[N@H+](C)C[C@@H](O)CN(C)CCC#N ZINC000309299295 350270119 /nfs/dbraw/zinc/27/01/19/350270119.db2.gz XVNKGHNASATEPD-NSHDSACASA-N 1 0 229.324 -0.229 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)CN1CCO[C@H](C#N)C1 ZINC000309300380 347026919 /nfs/dbraw/zinc/02/69/19/347026919.db2.gz YENZUAUWZLQBHJ-GHMZBOCLSA-N 1 0 227.308 -0.477 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)CN1CCO[C@@H](C#N)C1 ZINC000309300381 350270112 /nfs/dbraw/zinc/27/01/12/350270112.db2.gz YENZUAUWZLQBHJ-MNOVXSKESA-N 1 0 227.308 -0.477 20 30 BBEDRO CC[N@H+](C)C[C@H](O)CN1CCO[C@@H](C#N)C1 ZINC000309300382 350269920 /nfs/dbraw/zinc/26/99/20/350269920.db2.gz YENZUAUWZLQBHJ-QWRGUYRKSA-N 1 0 227.308 -0.477 20 30 BBEDRO CC[N@H+](C)C[C@H](O)CN1CCO[C@H](C#N)C1 ZINC000309300383 350269778 /nfs/dbraw/zinc/26/97/78/350269778.db2.gz YENZUAUWZLQBHJ-WDEREUQCSA-N 1 0 227.308 -0.477 20 30 BBEDRO CC(C)(C#N)CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000309338019 534988185 /nfs/dbraw/zinc/98/81/85/534988185.db2.gz UQPUASQIXNWCOM-LLVKDONJSA-N 1 0 225.292 -0.152 20 30 BBEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000309338020 534988710 /nfs/dbraw/zinc/98/87/10/534988710.db2.gz UQPUASQIXNWCOM-NSHDSACASA-N 1 0 225.292 -0.152 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)CS(C)(=O)=O ZINC000309394827 383934484 /nfs/dbraw/zinc/93/44/84/383934484.db2.gz VDTFQQVZPFTKLR-SECBINFHSA-N 1 0 246.332 -0.851 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000309394831 383933957 /nfs/dbraw/zinc/93/39/57/383933957.db2.gz VDTFQQVZPFTKLR-VIFPVBQESA-N 1 0 246.332 -0.851 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)C[C@@H](C)[NH3+] ZINC000309395865 633010318 /nfs/dbraw/zinc/01/03/18/633010318.db2.gz GHFMLEWHMUOJKU-MRVPVSSYSA-N 1 0 228.296 -0.723 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)C[C@H](C)[NH3+] ZINC000309395866 633010462 /nfs/dbraw/zinc/01/04/62/633010462.db2.gz GHFMLEWHMUOJKU-QMMMGPOBSA-N 1 0 228.296 -0.723 20 30 BBEDRO C#CC[NH2+]CC(=O)NCCC(=O)OC(C)C ZINC000309397105 633011319 /nfs/dbraw/zinc/01/13/19/633011319.db2.gz VNEYZBGGGNCYKJ-UHFFFAOYSA-N 1 0 226.276 -0.333 20 30 BBEDRO C[C@H](C[NH3+])NS(=O)(=O)c1cncc(C#N)c1 ZINC000309398519 323372450 /nfs/dbraw/zinc/37/24/50/323372450.db2.gz ITPVTBSPZQDIBU-SSDOTTSWSA-N 1 0 240.288 -0.421 20 30 BBEDRO C[C@H](CC[NH3+])NS(=O)(=O)N(C)CCC#N ZINC000309416021 347057163 /nfs/dbraw/zinc/05/71/63/347057163.db2.gz JFYFSVOEVMEFKM-MRVPVSSYSA-N 1 0 234.325 -0.596 20 30 BBEDRO C[C@@H](CC[NH3+])NS(=O)(=O)N(C)CCC#N ZINC000309416023 398182263 /nfs/dbraw/zinc/18/22/63/398182263.db2.gz JFYFSVOEVMEFKM-QMMMGPOBSA-N 1 0 234.325 -0.596 20 30 BBEDRO C[C@H](CC#N)[NH2+]CCCN1C(=O)CNC1=O ZINC000309418320 350379303 /nfs/dbraw/zinc/37/93/03/350379303.db2.gz ZCJHVIOREBTADF-MRVPVSSYSA-N 1 0 224.264 -0.180 20 30 BBEDRO N#Cc1cc(NC[C@@H]2COCC[NH2+]2)ncn1 ZINC000309453601 350515223 /nfs/dbraw/zinc/51/52/23/350515223.db2.gz RRRSRHUUZNLNDB-SECBINFHSA-N 1 0 219.248 -0.251 20 30 BBEDRO N#Cc1cc(NC[C@H]2COCC[NH2+]2)ncn1 ZINC000309453602 347065335 /nfs/dbraw/zinc/06/53/35/347065335.db2.gz RRRSRHUUZNLNDB-VIFPVBQESA-N 1 0 219.248 -0.251 20 30 BBEDRO C[C@@H]([NH3+])CNS(=O)(=O)c1cncc(C#N)c1 ZINC000309476178 350563646 /nfs/dbraw/zinc/56/36/46/350563646.db2.gz UZPOTQSXDOHSIZ-SSDOTTSWSA-N 1 0 240.288 -0.421 20 30 BBEDRO C[C@H]([NH3+])CNS(=O)(=O)c1cncc(C#N)c1 ZINC000309476179 347074207 /nfs/dbraw/zinc/07/42/07/347074207.db2.gz UZPOTQSXDOHSIZ-ZETCQYMHSA-N 1 0 240.288 -0.421 20 30 BBEDRO CN(C)C(=[NH2+])NCCNc1cnccn1 ZINC000309480527 632416145 /nfs/dbraw/zinc/41/61/45/632416145.db2.gz DJZFXHDTQDYAQM-UHFFFAOYSA-N 1 0 208.269 -0.235 20 30 BBEDRO C[NH+](C)C[C@@H](CO)Nc1ccc(C#N)nn1 ZINC000309481298 350565663 /nfs/dbraw/zinc/56/56/63/350565663.db2.gz TYQOWCGGRODFOA-VIFPVBQESA-N 1 0 221.264 -0.317 20 30 BBEDRO C#CCNC(=O)C[NH2+]C(C)(C)CC(=O)OC ZINC000309488789 632419320 /nfs/dbraw/zinc/41/93/20/632419320.db2.gz WJRLMVCLMSCSEA-UHFFFAOYSA-N 1 0 226.276 -0.333 20 30 BBEDRO CNC(NCCNc1cnccn1)=[NH+]C ZINC000309489496 633174092 /nfs/dbraw/zinc/17/40/92/633174092.db2.gz HWXGTPPUTPTXQH-UHFFFAOYSA-N 1 0 208.269 -0.317 20 30 BBEDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000309494448 136218914 /nfs/dbraw/zinc/21/89/14/136218914.db2.gz SXHKBSQFFJFVRC-GXSJLCMTSA-N 1 0 225.292 -0.233 20 30 BBEDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000309494449 136218567 /nfs/dbraw/zinc/21/85/67/136218567.db2.gz SXHKBSQFFJFVRC-KOLCDFICSA-N 1 0 225.292 -0.233 20 30 BBEDRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000309494451 136218870 /nfs/dbraw/zinc/21/88/70/136218870.db2.gz SXHKBSQFFJFVRC-MWLCHTKSSA-N 1 0 225.292 -0.233 20 30 BBEDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000309494452 136218750 /nfs/dbraw/zinc/21/87/50/136218750.db2.gz SXHKBSQFFJFVRC-ONGXEEELSA-N 1 0 225.292 -0.233 20 30 BBEDRO N#Cc1cncc(S(=O)(=O)NCCC[NH3+])c1 ZINC000309496904 387810770 /nfs/dbraw/zinc/81/07/70/387810770.db2.gz ZGDWSORUNCGBOQ-UHFFFAOYSA-N 1 0 240.288 -0.420 20 30 BBEDRO CCNC(=[NH2+])NCCNc1cnccn1 ZINC000309498198 632416844 /nfs/dbraw/zinc/41/68/44/632416844.db2.gz KUUKIRLWIHELSE-UHFFFAOYSA-N 1 0 208.269 -0.187 20 30 BBEDRO COCCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000309502475 633181069 /nfs/dbraw/zinc/18/10/69/633181069.db2.gz MATVGKMPEFXWAI-BDAKNGLRSA-N 1 0 211.265 -0.359 20 30 BBEDRO COCCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309502476 633938321 /nfs/dbraw/zinc/93/83/21/633938321.db2.gz MATVGKMPEFXWAI-DTWKUNHWSA-N 1 0 211.265 -0.359 20 30 BBEDRO COCCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309502477 632417007 /nfs/dbraw/zinc/41/70/07/632417007.db2.gz MATVGKMPEFXWAI-IUCAKERBSA-N 1 0 211.265 -0.359 20 30 BBEDRO COCCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000309502478 632416860 /nfs/dbraw/zinc/41/68/60/632416860.db2.gz MATVGKMPEFXWAI-RKDXNWHRSA-N 1 0 211.265 -0.359 20 30 BBEDRO N#Cc1cccnc1NCCNC(N)=[NH2+] ZINC000309504672 632433403 /nfs/dbraw/zinc/43/34/03/632433403.db2.gz MRHZDHHYOOKXKZ-UHFFFAOYSA-N 1 0 204.237 -0.361 20 30 BBEDRO CNC(=[NH2+])NCCCNc1ncccn1 ZINC000309504995 632432153 /nfs/dbraw/zinc/43/21/53/632432153.db2.gz MTAAUWDTJSXNCW-UHFFFAOYSA-N 1 0 208.269 -0.187 20 30 BBEDRO C=CCN(C)C(=O)[C@H]([NH3+])CCC(=O)OC ZINC000309511361 385646537 /nfs/dbraw/zinc/64/65/37/385646537.db2.gz XJBMAOSXEUNWCY-MRVPVSSYSA-N 1 0 214.265 -0.089 20 30 BBEDRO C=CCN(C)C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000309511363 385647902 /nfs/dbraw/zinc/64/79/02/385647902.db2.gz XJBMAOSXEUNWCY-QMMMGPOBSA-N 1 0 214.265 -0.089 20 30 BBEDRO N#Cc1ncn(CC[NH2+][C@@H]2CCCOC2)n1 ZINC000309522385 135438082 /nfs/dbraw/zinc/43/80/82/135438082.db2.gz BRPKPMMPQIZHBZ-SECBINFHSA-N 1 0 221.264 -0.082 20 30 BBEDRO N#Cc1ncn(CC[NH2+][C@H]2CCCOC2)n1 ZINC000309522386 187820880 /nfs/dbraw/zinc/82/08/80/187820880.db2.gz BRPKPMMPQIZHBZ-VIFPVBQESA-N 1 0 221.264 -0.082 20 30 BBEDRO COC1CC([NH2+]CCn2cnc(C#N)n2)C1 ZINC000309523365 174016905 /nfs/dbraw/zinc/01/69/05/174016905.db2.gz CJDBBBJHDYOKLC-UHFFFAOYSA-N 1 0 221.264 -0.083 20 30 BBEDRO C=CCN1CC[C@@H](NC2(C(N)=O)CC2)C1=O ZINC000309525924 347093199 /nfs/dbraw/zinc/09/31/99/347093199.db2.gz CEJLENCRLQACRS-MRVPVSSYSA-N 1 0 223.276 -0.619 20 30 BBEDRO C=CCN1CC[C@H](NC2(C(N)=O)CC2)C1=O ZINC000309525926 347093278 /nfs/dbraw/zinc/09/32/78/347093278.db2.gz CEJLENCRLQACRS-QMMMGPOBSA-N 1 0 223.276 -0.619 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc[nH]1 ZINC000309547568 633950367 /nfs/dbraw/zinc/95/03/67/633950367.db2.gz CHXVTRKWZFMWFB-APPZFPTMSA-N 1 0 204.233 -0.144 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc[nH]1 ZINC000309547570 633951116 /nfs/dbraw/zinc/95/11/16/633951116.db2.gz CHXVTRKWZFMWFB-CBAPKCEASA-N 1 0 204.233 -0.144 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc[nH]1 ZINC000309547572 632481084 /nfs/dbraw/zinc/48/10/84/632481084.db2.gz CHXVTRKWZFMWFB-IONNQARKSA-N 1 0 204.233 -0.144 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc[nH]1 ZINC000309547574 632482282 /nfs/dbraw/zinc/48/22/82/632482282.db2.gz CHXVTRKWZFMWFB-VXNVDRBHSA-N 1 0 204.233 -0.144 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1cncn1C ZINC000309553282 388456235 /nfs/dbraw/zinc/45/62/35/388456235.db2.gz GSWQLCCBTZQLAG-UHFFFAOYSA-N 1 0 220.276 -0.351 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)CC ZINC000309572691 632535910 /nfs/dbraw/zinc/53/59/10/632535910.db2.gz OACOMRHLBJNWDB-WPRPVWTQSA-N 1 0 225.292 -0.775 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000309574264 633957914 /nfs/dbraw/zinc/95/79/14/633957914.db2.gz OCCSBXOBGCGTNB-LLVKDONJSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000309574265 632538084 /nfs/dbraw/zinc/53/80/84/632538084.db2.gz OCCSBXOBGCGTNB-NSHDSACASA-N 1 0 224.304 -0.124 20 30 BBEDRO C#C[C@@H]([NH2+]CCCS(N)(=O)=O)[C@H]1CCCO1 ZINC000309592404 633961493 /nfs/dbraw/zinc/96/14/93/633961493.db2.gz SOKXQAVUNDGINN-NXEZZACHSA-N 1 0 246.332 -0.565 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1ccnn1C ZINC000309592918 388458314 /nfs/dbraw/zinc/45/83/14/388458314.db2.gz SVKYBKKOTJGPDV-UHFFFAOYSA-N 1 0 220.276 -0.351 20 30 BBEDRO C[NH2+][C@H](C)CNS(=O)(=O)N(C)CCC#N ZINC000309619103 173446855 /nfs/dbraw/zinc/44/68/55/173446855.db2.gz GIEQOJOJTFMHKA-MRVPVSSYSA-N 1 0 234.325 -0.726 20 30 BBEDRO C[NH2+][C@@H](C)CNS(=O)(=O)N(C)CCC#N ZINC000309619105 136219408 /nfs/dbraw/zinc/21/94/08/136219408.db2.gz GIEQOJOJTFMHKA-QMMMGPOBSA-N 1 0 234.325 -0.726 20 30 BBEDRO C=CCOCC(=O)NCC[NH2+]CCOC ZINC000309625394 386292147 /nfs/dbraw/zinc/29/21/47/386292147.db2.gz ITYZXCADRSSJDK-UHFFFAOYSA-N 1 0 216.281 -0.459 20 30 BBEDRO C[NH+](C)C[C@H](CO)Nc1nccnc1C#N ZINC000309632458 342761575 /nfs/dbraw/zinc/76/15/75/342761575.db2.gz IHXCYTCQSKPMFN-MRVPVSSYSA-N 1 0 221.264 -0.317 20 30 BBEDRO C[NH+](C)C[C@@H](CO)Nc1nccnc1C#N ZINC000309632460 342761705 /nfs/dbraw/zinc/76/17/05/342761705.db2.gz IHXCYTCQSKPMFN-QMMMGPOBSA-N 1 0 221.264 -0.317 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000309663836 633220523 /nfs/dbraw/zinc/22/05/23/633220523.db2.gz SKMPHTXAHGLPGV-JTQLQIEISA-N 1 0 225.292 -0.904 20 30 BBEDRO C=C[C@@H](C)NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000309751679 342847637 /nfs/dbraw/zinc/84/76/37/342847637.db2.gz GWXYRUXNMNVHDE-HTQZYQBOSA-N 1 0 214.265 -0.042 20 30 BBEDRO C=C[C@H](C)NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000309751680 342847698 /nfs/dbraw/zinc/84/76/98/342847698.db2.gz GWXYRUXNMNVHDE-JGVFFNPUSA-N 1 0 214.265 -0.042 20 30 BBEDRO C=C[C@@H](C)NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000309751916 370253481 /nfs/dbraw/zinc/25/34/81/370253481.db2.gz GWXYRUXNMNVHDE-SFYZADRCSA-N 1 0 214.265 -0.042 20 30 BBEDRO C=C[C@H](C)NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000309751918 370253214 /nfs/dbraw/zinc/25/32/14/370253214.db2.gz GWXYRUXNMNVHDE-YUMQZZPRSA-N 1 0 214.265 -0.042 20 30 BBEDRO CC[C@H](OC)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000310017668 634064820 /nfs/dbraw/zinc/06/48/20/634064820.db2.gz LNYSROGIRHCDSD-CIUDSAMLSA-N 1 0 211.265 -0.361 20 30 BBEDRO CC[C@H](OC)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000310017669 634065660 /nfs/dbraw/zinc/06/56/60/634065660.db2.gz LNYSROGIRHCDSD-HLTSFMKQSA-N 1 0 211.265 -0.361 20 30 BBEDRO CC[C@H](OC)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000310017670 632694708 /nfs/dbraw/zinc/69/47/08/632694708.db2.gz LNYSROGIRHCDSD-VGMNWLOBSA-N 1 0 211.265 -0.361 20 30 BBEDRO CC[C@H](OC)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000310017671 632695124 /nfs/dbraw/zinc/69/51/24/632695124.db2.gz LNYSROGIRHCDSD-YIZRAAEISA-N 1 0 211.265 -0.361 20 30 BBEDRO C[N@H+](C[C@@H](O)CN1CCO[C@@H](C#N)C1)C1CC1 ZINC000310128606 347235243 /nfs/dbraw/zinc/23/52/43/347235243.db2.gz XLLFYZXLFGDZNM-NEPJUHHUSA-N 1 0 239.319 -0.334 20 30 BBEDRO C[N@H+](C[C@H](O)CN1CCO[C@H](C#N)C1)C1CC1 ZINC000310128607 347235564 /nfs/dbraw/zinc/23/55/64/347235564.db2.gz XLLFYZXLFGDZNM-NWDGAFQWSA-N 1 0 239.319 -0.334 20 30 BBEDRO C[N@H+](C[C@H](O)CN1CCO[C@@H](C#N)C1)C1CC1 ZINC000310128608 347235559 /nfs/dbraw/zinc/23/55/59/347235559.db2.gz XLLFYZXLFGDZNM-RYUDHWBXSA-N 1 0 239.319 -0.334 20 30 BBEDRO C[N@H+](C[C@@H](O)CN1CCO[C@H](C#N)C1)C1CC1 ZINC000310128609 347235548 /nfs/dbraw/zinc/23/55/48/347235548.db2.gz XLLFYZXLFGDZNM-VXGBXAGGSA-N 1 0 239.319 -0.334 20 30 BBEDRO C=CCOCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000310312405 411232191 /nfs/dbraw/zinc/23/21/91/411232191.db2.gz VDFVEXZWAULYLK-GFCCVEGCSA-N 1 0 244.335 -0.528 20 30 BBEDRO C=CCOCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000310312406 411232241 /nfs/dbraw/zinc/23/22/41/411232241.db2.gz VDFVEXZWAULYLK-LBPRGKRZSA-N 1 0 244.335 -0.528 20 30 BBEDRO C#CCNC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000310500770 632751511 /nfs/dbraw/zinc/75/15/11/632751511.db2.gz JERQHWNHXAJARW-CYBMUJFWSA-N 1 0 235.331 -0.237 20 30 BBEDRO C#CCNC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000310500772 634153356 /nfs/dbraw/zinc/15/33/56/634153356.db2.gz JERQHWNHXAJARW-ZDUSSCGKSA-N 1 0 235.331 -0.237 20 30 BBEDRO N#Cc1cc(N2CCC[N@@H+](CCO)CC2)ncn1 ZINC000310720051 326199315 /nfs/dbraw/zinc/19/93/15/326199315.db2.gz XXBQFORIFPGSHR-UHFFFAOYSA-N 1 0 247.302 -0.147 20 30 BBEDRO N#Cc1nccc(N2CCC[N@@H+](CCO)CC2)n1 ZINC000310929059 370372583 /nfs/dbraw/zinc/37/25/83/370372583.db2.gz UJMSPKRGBIDBST-UHFFFAOYSA-N 1 0 247.302 -0.147 20 30 BBEDRO N#CCC1(C[N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC000316347138 350215227 /nfs/dbraw/zinc/21/52/27/350215227.db2.gz IRCMVHRMPNLXSV-NXEZZACHSA-N 1 0 210.277 -0.035 20 30 BBEDRO N#CCC1(C[N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC000316347139 350215100 /nfs/dbraw/zinc/21/51/00/350215100.db2.gz IRCMVHRMPNLXSV-UWVGGRQHSA-N 1 0 210.277 -0.035 20 30 BBEDRO N#CCC1(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000316347140 350215123 /nfs/dbraw/zinc/21/51/23/350215123.db2.gz IRCMVHRMPNLXSV-VHSXEESVSA-N 1 0 210.277 -0.035 20 30 BBEDRO N#CCC1(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000316347141 350215209 /nfs/dbraw/zinc/21/52/09/350215209.db2.gz IRCMVHRMPNLXSV-ZJUUUORDSA-N 1 0 210.277 -0.035 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)CN(CC#N)CCOC ZINC000316487115 350219340 /nfs/dbraw/zinc/21/93/40/350219340.db2.gz OAWIUUJCURNLQV-LLVKDONJSA-N 1 0 229.324 -0.229 20 30 BBEDRO CC[N@H+](C)C[C@H](O)CN(CC#N)CCOC ZINC000316487118 350219247 /nfs/dbraw/zinc/21/92/47/350219247.db2.gz OAWIUUJCURNLQV-NSHDSACASA-N 1 0 229.324 -0.229 20 30 BBEDRO COCCN(CC#N)C[C@H](O)C[NH+]1CCCC1 ZINC000317113675 711748531 /nfs/dbraw/zinc/74/85/31/711748531.db2.gz GSKRVPUWCLMEHX-GFCCVEGCSA-N 1 0 241.335 -0.085 20 30 BBEDRO COCCN(CC#N)C[C@@H](O)C[NH+]1CCCC1 ZINC000317113676 711748380 /nfs/dbraw/zinc/74/83/80/711748380.db2.gz GSKRVPUWCLMEHX-LBPRGKRZSA-N 1 0 241.335 -0.085 20 30 BBEDRO C=CCC[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC000320187108 636130051 /nfs/dbraw/zinc/13/00/51/636130051.db2.gz AQGBKDLIMCQKBR-SECBINFHSA-N 1 0 221.322 -0.052 20 30 BBEDRO C=CCC[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC000320187109 636129455 /nfs/dbraw/zinc/12/94/55/636129455.db2.gz AQGBKDLIMCQKBR-VIFPVBQESA-N 1 0 221.322 -0.052 20 30 BBEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)COC ZINC000320221566 342732906 /nfs/dbraw/zinc/73/29/06/342732906.db2.gz GYRORCKTMRNGFE-NXEZZACHSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)COC ZINC000320221567 323547506 /nfs/dbraw/zinc/54/75/06/323547506.db2.gz GYRORCKTMRNGFE-UWVGGRQHSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)COC ZINC000320221568 342733019 /nfs/dbraw/zinc/73/30/19/342733019.db2.gz GYRORCKTMRNGFE-VHSXEESVSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)COC ZINC000320221569 387242945 /nfs/dbraw/zinc/24/29/45/387242945.db2.gz GYRORCKTMRNGFE-ZJUUUORDSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)COCC ZINC000320373829 323038289 /nfs/dbraw/zinc/03/82/89/323038289.db2.gz JOPINQPULKUVGX-NXEZZACHSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)COCC ZINC000320373830 323142750 /nfs/dbraw/zinc/14/27/50/323142750.db2.gz JOPINQPULKUVGX-UWVGGRQHSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COCC ZINC000320373831 323563482 /nfs/dbraw/zinc/56/34/82/323563482.db2.gz JOPINQPULKUVGX-VHSXEESVSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)COCC ZINC000320373832 323563369 /nfs/dbraw/zinc/56/33/69/323563369.db2.gz JOPINQPULKUVGX-ZJUUUORDSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=CC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000320448744 387266875 /nfs/dbraw/zinc/26/68/75/387266875.db2.gz JMRUMWXYNFWQTD-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000320448746 387267643 /nfs/dbraw/zinc/26/76/43/387267643.db2.gz JMRUMWXYNFWQTD-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000320448748 387268561 /nfs/dbraw/zinc/26/85/61/387268561.db2.gz JMRUMWXYNFWQTD-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000320448749 387267978 /nfs/dbraw/zinc/26/79/78/387267978.db2.gz JMRUMWXYNFWQTD-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CC[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC000320700471 636354555 /nfs/dbraw/zinc/35/45/55/636354555.db2.gz YBCKNAAGMLNKGE-MRVPVSSYSA-N 1 0 207.295 -0.442 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC000320700472 636354136 /nfs/dbraw/zinc/35/41/36/636354136.db2.gz YBCKNAAGMLNKGE-QMMMGPOBSA-N 1 0 207.295 -0.442 20 30 BBEDRO C=CC[C@H](CO)[NH2+]CCS(=O)(=O)CC ZINC000320718858 634033175 /nfs/dbraw/zinc/03/31/75/634033175.db2.gz IFLVHQBZWZPFCW-SECBINFHSA-N 1 0 221.322 -0.052 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]CCS(=O)(=O)CC ZINC000320718859 636358936 /nfs/dbraw/zinc/35/89/36/636358936.db2.gz IFLVHQBZWZPFCW-VIFPVBQESA-N 1 0 221.322 -0.052 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000321402299 323613593 /nfs/dbraw/zinc/61/35/93/323613593.db2.gz IFSBIZBGGBEWPC-GHMZBOCLSA-N 1 0 225.292 -0.229 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC000321402310 387352088 /nfs/dbraw/zinc/35/20/88/387352088.db2.gz IFSBIZBGGBEWPC-MNOVXSKESA-N 1 0 225.292 -0.229 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC000321402320 387352666 /nfs/dbraw/zinc/35/26/66/387352666.db2.gz IFSBIZBGGBEWPC-QWRGUYRKSA-N 1 0 225.292 -0.229 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000321402333 323613802 /nfs/dbraw/zinc/61/38/02/323613802.db2.gz IFSBIZBGGBEWPC-WDEREUQCSA-N 1 0 225.292 -0.229 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000321414951 488139320 /nfs/dbraw/zinc/13/93/20/488139320.db2.gz JSGLOIAVZFBTAG-NEPJUHHUSA-N 1 0 244.335 -0.794 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000321414953 488139056 /nfs/dbraw/zinc/13/90/56/488139056.db2.gz JSGLOIAVZFBTAG-NWDGAFQWSA-N 1 0 244.335 -0.794 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000321414954 488139799 /nfs/dbraw/zinc/13/97/99/488139799.db2.gz JSGLOIAVZFBTAG-RYUDHWBXSA-N 1 0 244.335 -0.794 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000321414957 488137362 /nfs/dbraw/zinc/13/73/62/488137362.db2.gz JSGLOIAVZFBTAG-VXGBXAGGSA-N 1 0 244.335 -0.794 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000321489634 387268610 /nfs/dbraw/zinc/26/86/10/387268610.db2.gz SJJIQUYQXAJSFX-CMPLNLGQSA-N 1 0 228.336 -0.032 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000321489635 387268531 /nfs/dbraw/zinc/26/85/31/387268531.db2.gz SJJIQUYQXAJSFX-JQWIXIFHSA-N 1 0 228.336 -0.032 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000321489636 387267364 /nfs/dbraw/zinc/26/73/64/387267364.db2.gz SJJIQUYQXAJSFX-PWSUYJOCSA-N 1 0 228.336 -0.032 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000321489637 387268430 /nfs/dbraw/zinc/26/84/30/387268430.db2.gz SJJIQUYQXAJSFX-ZYHUDNBSSA-N 1 0 228.336 -0.032 20 30 BBEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000323457501 636964362 /nfs/dbraw/zinc/96/43/62/636964362.db2.gz VLCOMYUDUGZFJW-JHJVBQTASA-N 1 0 248.282 -0.059 20 30 BBEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2COC[C@@H]2O)cc1 ZINC000323457503 636965410 /nfs/dbraw/zinc/96/54/10/636965410.db2.gz VLCOMYUDUGZFJW-UPJWGTAASA-N 1 0 248.282 -0.059 20 30 BBEDRO C#CC[N@H+](C)CCCNc1ccc2nnnn2n1 ZINC000327959599 387598858 /nfs/dbraw/zinc/59/88/58/387598858.db2.gz CETYUIAKKCMDDZ-UHFFFAOYSA-N 1 0 245.290 -0.114 20 30 BBEDRO C#CCN(C)CCC[NH2+]C[C@@H](O)COC ZINC000327978315 387602157 /nfs/dbraw/zinc/60/21/57/387602157.db2.gz ICNFDUZYZYITFK-LLVKDONJSA-N 1 0 214.309 -0.462 20 30 BBEDRO C#CCN(C)CCC[NH2+]C[C@H](O)COC ZINC000327978317 387602340 /nfs/dbraw/zinc/60/23/40/387602340.db2.gz ICNFDUZYZYITFK-NSHDSACASA-N 1 0 214.309 -0.462 20 30 BBEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)N(C)C ZINC000328011190 262866828 /nfs/dbraw/zinc/86/68/28/262866828.db2.gz QAYILFXIFFRKBI-UHFFFAOYSA-N 1 0 233.337 -0.663 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)c1nnc[nH]1 ZINC000328128818 711689815 /nfs/dbraw/zinc/68/98/15/711689815.db2.gz VMJKRDVJMDPZCD-UHFFFAOYSA-N 1 0 221.264 -0.510 20 30 BBEDRO C#CCN(C)CCC[NH2+]CCS(C)(=O)=O ZINC000328193644 633741856 /nfs/dbraw/zinc/74/18/56/633741856.db2.gz QTDBIMGCTJFUOG-UHFFFAOYSA-N 1 0 232.349 -0.424 20 30 BBEDRO C#CC[N@@H+](C)CCCNCc1cnn(C)n1 ZINC000328282137 633753457 /nfs/dbraw/zinc/75/34/57/633753457.db2.gz PTENMXNKJNBNKY-UHFFFAOYSA-N 1 0 221.308 -0.140 20 30 BBEDRO CN1CC[C@@H](NC(=O)NCC[NH+]2CCC2)C1=O ZINC000328638677 386605130 /nfs/dbraw/zinc/60/51/30/386605130.db2.gz BRCHNIFRDYZHMK-SECBINFHSA-N 1 0 240.307 -0.574 20 30 BBEDRO CN1CC[C@H](NC(=O)NCC[NH+]2CCC2)C1=O ZINC000328638680 386604299 /nfs/dbraw/zinc/60/42/99/386604299.db2.gz BRCHNIFRDYZHMK-VIFPVBQESA-N 1 0 240.307 -0.574 20 30 BBEDRO O=C(NCC[NH+]1CCC1)NC[C@H]1COCCO1 ZINC000328639675 136332787 /nfs/dbraw/zinc/33/27/87/136332787.db2.gz CESDSCFQXIUDPG-JTQLQIEISA-N 1 0 243.307 -0.389 20 30 BBEDRO O=C(NCC[NH+]1CCC1)NC[C@@H]1COCCO1 ZINC000328639682 386603348 /nfs/dbraw/zinc/60/33/48/386603348.db2.gz CESDSCFQXIUDPG-SNVBAGLBSA-N 1 0 243.307 -0.389 20 30 BBEDRO CN1C[C@H](NC(=O)NCC[NH+]2CCC2)CC1=O ZINC000328709134 386613915 /nfs/dbraw/zinc/61/39/15/386613915.db2.gz MKXCWZJRFMROLA-SECBINFHSA-N 1 0 240.307 -0.574 20 30 BBEDRO CN1C[C@@H](NC(=O)NCC[NH+]2CCC2)CC1=O ZINC000328709135 386612412 /nfs/dbraw/zinc/61/24/12/386612412.db2.gz MKXCWZJRFMROLA-VIFPVBQESA-N 1 0 240.307 -0.574 20 30 BBEDRO Cn1cnc(NC(=O)[C@H]2CN(C)CCO2)n1 ZINC000329096331 355894365 /nfs/dbraw/zinc/89/43/65/355894365.db2.gz BREFBZCOUOTMMF-SSDOTTSWSA-N 1 0 225.252 -0.266 20 30 BBEDRO Cn1cnc(NC(=O)[C@@H]2CN(C)CCO2)n1 ZINC000329096332 355894549 /nfs/dbraw/zinc/89/45/49/355894549.db2.gz BREFBZCOUOTMMF-ZETCQYMHSA-N 1 0 225.252 -0.266 20 30 BBEDRO C[N@H+]1CC=C(CNC(=O)Cn2cnnn2)CC1 ZINC000329223356 355905288 /nfs/dbraw/zinc/90/52/88/355905288.db2.gz XWXOHZSSWINDRU-UHFFFAOYSA-N 1 0 236.279 -0.109 20 30 BBEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cnc[nH]1 ZINC000329492657 355925184 /nfs/dbraw/zinc/92/51/84/355925184.db2.gz WEBDBZZIHDSPSK-SECBINFHSA-N 1 0 237.307 -0.040 20 30 BBEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cnc[nH]1 ZINC000329492658 355925119 /nfs/dbraw/zinc/92/51/19/355925119.db2.gz WEBDBZZIHDSPSK-VIFPVBQESA-N 1 0 237.307 -0.040 20 30 BBEDRO CN1CN(C(=O)NC2CC[NH+](C)CC2)CC1=O ZINC000329594533 355932197 /nfs/dbraw/zinc/93/21/97/355932197.db2.gz BLCLLHKISWASIL-UHFFFAOYSA-N 1 0 240.307 -0.274 20 30 BBEDRO CN1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1=O ZINC000329723990 133985906 /nfs/dbraw/zinc/98/59/06/133985906.db2.gz FSHXHTDHWLENFD-SECBINFHSA-N 1 0 240.307 -0.274 20 30 BBEDRO CN1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1=O ZINC000329723991 356091525 /nfs/dbraw/zinc/09/15/25/356091525.db2.gz FSHXHTDHWLENFD-VIFPVBQESA-N 1 0 240.307 -0.274 20 30 BBEDRO O=C(NCC[NH+]1CCC1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000330034414 356162399 /nfs/dbraw/zinc/16/23/99/356162399.db2.gz WKQOIDDTHWVAIZ-MYJAWHEDSA-N 1 0 225.292 -0.160 20 30 BBEDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CC(CO)C1 ZINC000330049729 356164516 /nfs/dbraw/zinc/16/45/16/356164516.db2.gz JUHLNMQUDHKFMC-JTQLQIEISA-N 1 0 227.308 -0.081 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(CO)C1 ZINC000330049730 356164810 /nfs/dbraw/zinc/16/48/10/356164810.db2.gz JUHLNMQUDHKFMC-SNVBAGLBSA-N 1 0 227.308 -0.081 20 30 BBEDRO C=CCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330363653 385260132 /nfs/dbraw/zinc/26/01/32/385260132.db2.gz OBHBPQYJWDEVPK-MRVPVSSYSA-N 1 0 204.295 -0.075 20 30 BBEDRO C=CCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330363654 384367043 /nfs/dbraw/zinc/36/70/43/384367043.db2.gz OBHBPQYJWDEVPK-QMMMGPOBSA-N 1 0 204.295 -0.075 20 30 BBEDRO CC#CCN1CCC[C@@H]1CS(N)(=O)=O ZINC000330363876 384150901 /nfs/dbraw/zinc/15/09/01/384150901.db2.gz XDIPSAWYJDVRKT-SECBINFHSA-N 1 0 216.306 -0.237 20 30 BBEDRO N#CCCCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330364897 386678046 /nfs/dbraw/zinc/67/80/46/386678046.db2.gz ZWUSTMUNUNRYCK-SECBINFHSA-N 1 0 236.275 -0.084 20 30 BBEDRO N#CCCCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330364898 386677208 /nfs/dbraw/zinc/67/72/08/386677208.db2.gz ZWUSTMUNUNRYCK-VIFPVBQESA-N 1 0 236.275 -0.084 20 30 BBEDRO CC[NH+](CC)CC(=O)N1CCN(CC#N)CC1 ZINC000330377414 386680727 /nfs/dbraw/zinc/68/07/27/386680727.db2.gz INROFHSQBILVRJ-UHFFFAOYSA-N 1 0 238.335 -0.004 20 30 BBEDRO C=CCC[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000330380349 386693991 /nfs/dbraw/zinc/69/39/91/386693991.db2.gz HKHWUWCVFDKRJG-UHFFFAOYSA-N 1 0 247.364 -0.531 20 30 BBEDRO CCNC(=O)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330422974 386708946 /nfs/dbraw/zinc/70/89/46/386708946.db2.gz HXHJNROYFIRWMF-SECBINFHSA-N 1 0 242.323 -0.280 20 30 BBEDRO CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000330422976 386710400 /nfs/dbraw/zinc/71/04/00/386710400.db2.gz HXHJNROYFIRWMF-VIFPVBQESA-N 1 0 242.323 -0.280 20 30 BBEDRO C[NH+](C)CCn1nnnc1SCC#N ZINC000330428014 355937107 /nfs/dbraw/zinc/93/71/07/355937107.db2.gz XPKFUGRSAVMSSN-UHFFFAOYSA-N 1 0 212.282 -0.150 20 30 BBEDRO CC(=O)NCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000330441959 386738723 /nfs/dbraw/zinc/73/87/23/386738723.db2.gz VGJXMVURUFCFHW-JTQLQIEISA-N 1 0 242.323 -0.280 20 30 BBEDRO CC(=O)NCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000330441960 386739823 /nfs/dbraw/zinc/73/98/23/386739823.db2.gz VGJXMVURUFCFHW-SNVBAGLBSA-N 1 0 242.323 -0.280 20 30 BBEDRO COC[C@H](O)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330442783 386740171 /nfs/dbraw/zinc/74/01/71/386740171.db2.gz RUOBNLAGBBJOJQ-NXEZZACHSA-N 1 0 245.323 -0.409 20 30 BBEDRO COC[C@H](O)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000330442784 386738575 /nfs/dbraw/zinc/73/85/75/386738575.db2.gz RUOBNLAGBBJOJQ-VHSXEESVSA-N 1 0 245.323 -0.409 20 30 BBEDRO CC[N@H+](C)CCNC(=O)NC[C@H]1COCCO1 ZINC000330447419 386743443 /nfs/dbraw/zinc/74/34/43/386743443.db2.gz VRLYMPVUSDFQCC-JTQLQIEISA-N 1 0 245.323 -0.143 20 30 BBEDRO CC[N@H+](C)CCNC(=O)NC[C@@H]1COCCO1 ZINC000330447420 386742355 /nfs/dbraw/zinc/74/23/55/386742355.db2.gz VRLYMPVUSDFQCC-SNVBAGLBSA-N 1 0 245.323 -0.143 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000330449295 386742136 /nfs/dbraw/zinc/74/21/36/386742136.db2.gz ZPHRAUSNLJJFDN-JTQLQIEISA-N 1 0 248.348 -0.188 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330449296 386743068 /nfs/dbraw/zinc/74/30/68/386743068.db2.gz ZPHRAUSNLJJFDN-SNVBAGLBSA-N 1 0 248.348 -0.188 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330450013 386741633 /nfs/dbraw/zinc/74/16/33/386741633.db2.gz IEQBAMYLOGGXJC-SECBINFHSA-N 1 0 234.321 -0.448 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330450014 386742932 /nfs/dbraw/zinc/74/29/32/386742932.db2.gz IEQBAMYLOGGXJC-VIFPVBQESA-N 1 0 234.321 -0.448 20 30 BBEDRO C=CCOCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330453909 386715424 /nfs/dbraw/zinc/71/54/24/386715424.db2.gz MCGQTUPXDOTLOJ-JTQLQIEISA-N 1 0 248.348 -0.058 20 30 BBEDRO C=CCOCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330453911 386715989 /nfs/dbraw/zinc/71/59/89/386715989.db2.gz MCGQTUPXDOTLOJ-SNVBAGLBSA-N 1 0 248.348 -0.058 20 30 BBEDRO C=CCOCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000330454054 386716721 /nfs/dbraw/zinc/71/67/21/386716721.db2.gz MKPXMHLLFNROGX-NXEZZACHSA-N 1 0 201.266 -0.384 20 30 BBEDRO C=CCOCC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000330454055 386715967 /nfs/dbraw/zinc/71/59/67/386715967.db2.gz MKPXMHLLFNROGX-UWVGGRQHSA-N 1 0 201.266 -0.384 20 30 BBEDRO C=CCOCC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000330454056 386716160 /nfs/dbraw/zinc/71/61/60/386716160.db2.gz MKPXMHLLFNROGX-VHSXEESVSA-N 1 0 201.266 -0.384 20 30 BBEDRO C=CCOCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000330454057 386716977 /nfs/dbraw/zinc/71/69/77/386716977.db2.gz MKPXMHLLFNROGX-ZJUUUORDSA-N 1 0 201.266 -0.384 20 30 BBEDRO C=CCOCC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000330454981 386715581 /nfs/dbraw/zinc/71/55/81/386715581.db2.gz NVHHYBNAJZBNCG-UHFFFAOYSA-N 1 0 248.348 -0.058 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCO ZINC000330477240 386730434 /nfs/dbraw/zinc/73/04/34/386730434.db2.gz IRKMIEBGASJSOF-SECBINFHSA-N 1 0 215.297 -0.033 20 30 BBEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCCO ZINC000330477241 386731788 /nfs/dbraw/zinc/73/17/88/386731788.db2.gz IRKMIEBGASJSOF-VIFPVBQESA-N 1 0 215.297 -0.033 20 30 BBEDRO COCC[NH+]1CCC(NC(=O)NCCO)CC1 ZINC000330479493 386731573 /nfs/dbraw/zinc/73/15/73/386731573.db2.gz POZKFYNELYEICZ-UHFFFAOYSA-N 1 0 245.323 -0.407 20 30 BBEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)NC ZINC000330501975 386759357 /nfs/dbraw/zinc/75/93/57/386759357.db2.gz AZLHUABSNGJKNB-SECBINFHSA-N 1 0 242.323 -0.280 20 30 BBEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)NC ZINC000330501976 386759599 /nfs/dbraw/zinc/75/95/99/386759599.db2.gz AZLHUABSNGJKNB-VIFPVBQESA-N 1 0 242.323 -0.280 20 30 BBEDRO CC[N@H+](C)CCNC(=O)NCc1ncn(C)n1 ZINC000330608183 386786921 /nfs/dbraw/zinc/78/69/21/386786921.db2.gz MMVGDJPLYDMKMU-UHFFFAOYSA-N 1 0 240.311 -0.230 20 30 BBEDRO Cn1cc(C(=O)NCC[NH+](C)C)c(=O)[nH]c1=O ZINC000330636295 386828118 /nfs/dbraw/zinc/82/81/18/386828118.db2.gz VDLFQPRXGNCWAC-UHFFFAOYSA-N 1 0 240.263 -0.648 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330640835 386808799 /nfs/dbraw/zinc/80/87/99/386808799.db2.gz WWSGRLHNIXFYLD-NXEZZACHSA-N 1 0 248.348 -0.324 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330640836 386808959 /nfs/dbraw/zinc/80/89/59/386808959.db2.gz WWSGRLHNIXFYLD-UWVGGRQHSA-N 1 0 248.348 -0.324 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330640837 386807999 /nfs/dbraw/zinc/80/79/99/386807999.db2.gz WWSGRLHNIXFYLD-VHSXEESVSA-N 1 0 248.348 -0.324 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330640838 386809127 /nfs/dbraw/zinc/80/91/27/386809127.db2.gz WWSGRLHNIXFYLD-ZJUUUORDSA-N 1 0 248.348 -0.324 20 30 BBEDRO CN1CCO[C@H](CNC(=O)NCCC(N)=O)C1 ZINC000330650623 386811603 /nfs/dbraw/zinc/81/16/03/386811603.db2.gz XMBMNJKUOZSDOR-MRVPVSSYSA-N 1 0 244.295 -0.254 20 30 BBEDRO CN1CCO[C@@H](CNC(=O)NCCC(N)=O)C1 ZINC000330650624 386810723 /nfs/dbraw/zinc/81/07/23/386810723.db2.gz XMBMNJKUOZSDOR-QMMMGPOBSA-N 1 0 244.295 -0.254 20 30 BBEDRO CN(C)C(=O)NCC[N@H+](C)CCn1cncn1 ZINC000330712528 386862868 /nfs/dbraw/zinc/86/28/68/386862868.db2.gz QXBAPXBLMRXIDH-UHFFFAOYSA-N 1 0 240.311 -0.315 20 30 BBEDRO COCCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000330729973 386886026 /nfs/dbraw/zinc/88/60/26/386886026.db2.gz JRMRTLAGZMUUEE-JTQLQIEISA-N 1 0 244.339 -0.618 20 30 BBEDRO COCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000330729974 386887212 /nfs/dbraw/zinc/88/72/12/386887212.db2.gz JRMRTLAGZMUUEE-SNVBAGLBSA-N 1 0 244.339 -0.618 20 30 BBEDRO CNC(=O)NCC(=O)NCC[N@H+]1CC=CCC1 ZINC000330835326 353184705 /nfs/dbraw/zinc/18/47/05/353184705.db2.gz LKXHMLWKUMGWLN-UHFFFAOYSA-N 1 0 240.307 -0.502 20 30 BBEDRO N#CCNC(=O)CN1CCSC[C@H]1CO ZINC000330855742 353194521 /nfs/dbraw/zinc/19/45/21/353194521.db2.gz SNJBALYOZPUMPX-MRVPVSSYSA-N 1 0 229.305 -0.964 20 30 BBEDRO CNC(=O)NC(=O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000330856163 353186699 /nfs/dbraw/zinc/18/66/99/353186699.db2.gz NLHOQLMNAOAWEI-SSDOTTSWSA-N 1 0 239.279 -0.269 20 30 BBEDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000330856164 353186742 /nfs/dbraw/zinc/18/67/42/353186742.db2.gz NLHOQLMNAOAWEI-ZETCQYMHSA-N 1 0 239.279 -0.269 20 30 BBEDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC#CCO ZINC000330860229 353187274 /nfs/dbraw/zinc/18/72/74/353187274.db2.gz PIADCEGWNDMHNY-LLVKDONJSA-N 1 0 240.303 -0.933 20 30 BBEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC#CCO ZINC000330860230 353187391 /nfs/dbraw/zinc/18/73/91/353187391.db2.gz PIADCEGWNDMHNY-NSHDSACASA-N 1 0 240.303 -0.933 20 30 BBEDRO CCC[N@H+](C)CC(=O)N1CCN(CC#N)CC1 ZINC000330931813 353207303 /nfs/dbraw/zinc/20/73/03/353207303.db2.gz VRVOHOLVYLKSJK-UHFFFAOYSA-N 1 0 238.335 -0.004 20 30 BBEDRO CNC(=O)N[C@@H]1CC[N@H+](CCC(=O)OC)C1 ZINC000330945908 353203173 /nfs/dbraw/zinc/20/31/73/353203173.db2.gz KGLYKFKYJCHXKL-MRVPVSSYSA-N 1 0 229.280 -0.243 20 30 BBEDRO CNC(=O)N[C@H]1CC[N@H+](CCC(=O)OC)C1 ZINC000330945909 353203293 /nfs/dbraw/zinc/20/32/93/353203293.db2.gz KGLYKFKYJCHXKL-QMMMGPOBSA-N 1 0 229.280 -0.243 20 30 BBEDRO CN(CC[NH+](C)C)C(=O)NCCn1cncn1 ZINC000330948812 353203128 /nfs/dbraw/zinc/20/31/28/353203128.db2.gz IOBBZKWFPMMMGC-UHFFFAOYSA-N 1 0 240.311 -0.315 20 30 BBEDRO CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC000330950378 353203240 /nfs/dbraw/zinc/20/32/40/353203240.db2.gz OLPNQIWPIZHYCU-BDAKNGLRSA-N 1 0 231.296 -0.799 20 30 BBEDRO CNC(=O)N[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC000330950385 136245872 /nfs/dbraw/zinc/24/58/72/136245872.db2.gz OLPNQIWPIZHYCU-IUCAKERBSA-N 1 0 231.296 -0.799 20 30 BBEDRO CCOC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330954091 353203778 /nfs/dbraw/zinc/20/37/78/353203778.db2.gz SDEXBIQBGBTALM-NXEZZACHSA-N 1 0 245.323 -0.409 20 30 BBEDRO CCOC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330954092 353204059 /nfs/dbraw/zinc/20/40/59/353204059.db2.gz SDEXBIQBGBTALM-VHSXEESVSA-N 1 0 245.323 -0.409 20 30 BBEDRO C[NH+](C)CCn1ccc(NC(=O)NCCO)n1 ZINC000330956130 412164542 /nfs/dbraw/zinc/16/45/42/412164542.db2.gz HOHBYFZXEMAZFC-UHFFFAOYSA-N 1 0 241.295 -0.237 20 30 BBEDRO N#CCNC(=O)CN1CCSC[C@H]1CCO ZINC000330956749 353203998 /nfs/dbraw/zinc/20/39/98/353203998.db2.gz HUTKBQOKNQAZQK-SECBINFHSA-N 1 0 243.332 -0.574 20 30 BBEDRO N#CCNC(=O)CN1CCSC[C@@H]1CCO ZINC000330956750 353204072 /nfs/dbraw/zinc/20/40/72/353204072.db2.gz HUTKBQOKNQAZQK-VIFPVBQESA-N 1 0 243.332 -0.574 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H](NC(=O)NC)C1 ZINC000330958339 353203985 /nfs/dbraw/zinc/20/39/85/353203985.db2.gz WRENMCPRNHDXNR-SECBINFHSA-N 1 0 240.307 -0.504 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H](NC(=O)NC)C1 ZINC000330958341 353204065 /nfs/dbraw/zinc/20/40/65/353204065.db2.gz WRENMCPRNHDXNR-VIFPVBQESA-N 1 0 240.307 -0.504 20 30 BBEDRO CC[N@H+](C)CCNC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000331016913 353212925 /nfs/dbraw/zinc/21/29/25/353212925.db2.gz HLOKDWMRDKUMQO-SECBINFHSA-N 1 0 242.323 -0.328 20 30 BBEDRO CC[N@H+](C)CCNC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000331016914 353212586 /nfs/dbraw/zinc/21/25/86/353212586.db2.gz HLOKDWMRDKUMQO-VIFPVBQESA-N 1 0 242.323 -0.328 20 30 BBEDRO CN(CC[NH+](C)C)C(=O)NC[C@H]1COCCO1 ZINC000331041106 353213464 /nfs/dbraw/zinc/21/34/64/353213464.db2.gz CLVJEAPQTGCHTR-JTQLQIEISA-N 1 0 245.323 -0.191 20 30 BBEDRO CN(CC[NH+](C)C)C(=O)NC[C@@H]1COCCO1 ZINC000331041107 353213398 /nfs/dbraw/zinc/21/33/98/353213398.db2.gz CLVJEAPQTGCHTR-SNVBAGLBSA-N 1 0 245.323 -0.191 20 30 BBEDRO CC[N@H+](C)CCNC(=O)N[C@@H]1CC[S@](=O)C1 ZINC000331066522 353215218 /nfs/dbraw/zinc/21/52/18/353215218.db2.gz QVIODALJGJDKHR-ABKXIKBNSA-N 1 0 247.364 -0.037 20 30 BBEDRO CC[N@H+](C)CCNC(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000331066527 353214875 /nfs/dbraw/zinc/21/48/75/353214875.db2.gz QVIODALJGJDKHR-JDNHERCYSA-N 1 0 247.364 -0.037 20 30 BBEDRO C=CC[NH+]1CCC(NC(=O)CC(=O)NC)CC1 ZINC000331069864 133636552 /nfs/dbraw/zinc/63/65/52/133636552.db2.gz RPTMVUAQGUPAFQ-UHFFFAOYSA-N 1 0 239.319 -0.111 20 30 BBEDRO C[NH+](C)CC(=O)NCC1CCN(CC#N)CC1 ZINC000331074274 353215790 /nfs/dbraw/zinc/21/57/90/353215790.db2.gz GGIFSUVWGOLLNL-UHFFFAOYSA-N 1 0 238.335 -0.100 20 30 BBEDRO COCC[N@@H+]1CC[C@@H](NC(=O)CC#N)C1 ZINC000331081059 353216528 /nfs/dbraw/zinc/21/65/28/353216528.db2.gz XQLHJRYXSOMKNY-SECBINFHSA-N 1 0 211.265 -0.263 20 30 BBEDRO COCC[N@@H+]1CC[C@H](NC(=O)CC#N)C1 ZINC000331081061 353216346 /nfs/dbraw/zinc/21/63/46/353216346.db2.gz XQLHJRYXSOMKNY-VIFPVBQESA-N 1 0 211.265 -0.263 20 30 BBEDRO CC[N@H+](C)CCNC(=O)NCc1nnn(C)n1 ZINC000331122391 353220618 /nfs/dbraw/zinc/22/06/18/353220618.db2.gz BTDPOUPYKDFVEA-UHFFFAOYSA-N 1 0 241.299 -0.835 20 30 BBEDRO CN(CC[NH+](C)C)C(=O)Cn1cnc(C#N)n1 ZINC000331151737 388765525 /nfs/dbraw/zinc/76/55/25/388765525.db2.gz OBWHPJPWGWUCGF-UHFFFAOYSA-N 1 0 236.279 -0.830 20 30 BBEDRO CN(CC[NH+](C)C)C(=O)NCc1nnn(C)n1 ZINC000331152867 353223311 /nfs/dbraw/zinc/22/33/11/353223311.db2.gz AYADCMOMNQHNKB-UHFFFAOYSA-N 1 0 241.299 -0.883 20 30 BBEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC#N ZINC000331160102 133638218 /nfs/dbraw/zinc/63/82/18/133638218.db2.gz CNJZIJSIXDSVKT-JTQLQIEISA-N 1 0 225.292 -0.015 20 30 BBEDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCC#N ZINC000331160105 353223449 /nfs/dbraw/zinc/22/34/49/353223449.db2.gz CNJZIJSIXDSVKT-SNVBAGLBSA-N 1 0 225.292 -0.015 20 30 BBEDRO CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)CSC)C1 ZINC000331172790 353224933 /nfs/dbraw/zinc/22/49/33/353224933.db2.gz OTUABAPJXYHDQH-BDAKNGLRSA-N 1 0 247.364 -0.082 20 30 BBEDRO CNC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)CSC)C1 ZINC000331172791 353225037 /nfs/dbraw/zinc/22/50/37/353225037.db2.gz OTUABAPJXYHDQH-RKDXNWHRSA-N 1 0 247.364 -0.082 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000331190554 136249583 /nfs/dbraw/zinc/24/95/83/136249583.db2.gz PJGLLFDEWQENIZ-NXEZZACHSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000331190555 534859186 /nfs/dbraw/zinc/85/91/86/534859186.db2.gz PJGLLFDEWQENIZ-UWVGGRQHSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000331190556 136249590 /nfs/dbraw/zinc/24/95/90/136249590.db2.gz PJGLLFDEWQENIZ-VHSXEESVSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000331190557 353228103 /nfs/dbraw/zinc/22/81/03/353228103.db2.gz PJGLLFDEWQENIZ-ZJUUUORDSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331278634 353233328 /nfs/dbraw/zinc/23/33/28/353233328.db2.gz AASGEPUYWBRKSU-BBBLOLIVSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=CCC[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000331278635 353233500 /nfs/dbraw/zinc/23/35/00/353233500.db2.gz AASGEPUYWBRKSU-GUBZILKMSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=CCC[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000331278636 353233413 /nfs/dbraw/zinc/23/34/13/353233413.db2.gz AASGEPUYWBRKSU-IVZWLZJFSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331278637 353233357 /nfs/dbraw/zinc/23/33/57/353233357.db2.gz AASGEPUYWBRKSU-LPEHRKFASA-N 1 0 201.266 -0.649 20 30 BBEDRO N#CCSCCC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331282101 353233949 /nfs/dbraw/zinc/23/39/49/353233949.db2.gz CYOJLNTWCRGDDO-DTORHVGOSA-N 1 0 216.306 -0.329 20 30 BBEDRO N#CCSCCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000331282103 353234260 /nfs/dbraw/zinc/23/42/60/353234260.db2.gz CYOJLNTWCRGDDO-IUCAKERBSA-N 1 0 216.306 -0.329 20 30 BBEDRO N#CCSCCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000331282104 353234246 /nfs/dbraw/zinc/23/42/46/353234246.db2.gz CYOJLNTWCRGDDO-RKDXNWHRSA-N 1 0 216.306 -0.329 20 30 BBEDRO O=C(NCC#CCO)C1CC[NH+](C2CC2)CC1 ZINC000331467203 134000676 /nfs/dbraw/zinc/00/06/76/134000676.db2.gz LJXRNCCHNPMLLV-UHFFFAOYSA-N 1 0 236.315 -0.027 20 30 BBEDRO N#CCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000331858879 134002762 /nfs/dbraw/zinc/00/27/62/134002762.db2.gz ACPMIUJNWBXVIP-UHFFFAOYSA-N 1 0 240.307 -0.078 20 30 BBEDRO CCC[N@H+](C)CC(=O)N1CC(O)(CC#N)C1 ZINC000331992008 134002991 /nfs/dbraw/zinc/00/29/91/134002991.db2.gz ATFRUJJJEWKIQI-UHFFFAOYSA-N 1 0 225.292 -0.185 20 30 BBEDRO CC[NH+](CC)CC(=O)N1CC(O)(CC#N)C1 ZINC000332069657 134004123 /nfs/dbraw/zinc/00/41/23/134004123.db2.gz UEFBXWGQJLOZBX-UHFFFAOYSA-N 1 0 225.292 -0.185 20 30 BBEDRO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)C[C@H]2CO)C1=O ZINC000332408570 134004961 /nfs/dbraw/zinc/00/49/61/134004961.db2.gz YWUATSRIHLDGRI-DCAQKATOSA-N 1 0 240.303 -0.799 20 30 BBEDRO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)C[C@H]2CO)C1=O ZINC000332408572 134005017 /nfs/dbraw/zinc/00/50/17/134005017.db2.gz YWUATSRIHLDGRI-GARJFASQSA-N 1 0 240.303 -0.799 20 30 BBEDRO C[C@H](C#N)CN(C)S(=O)(=O)NCC[NH+](C)C ZINC000332453702 134004978 /nfs/dbraw/zinc/00/49/78/134004978.db2.gz HXJJPQXFZUTODX-SECBINFHSA-N 1 0 248.352 -0.526 20 30 BBEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NCC[NH+](C)C ZINC000332453725 134004768 /nfs/dbraw/zinc/00/47/68/134004768.db2.gz HXJJPQXFZUTODX-VIFPVBQESA-N 1 0 248.352 -0.526 20 30 BBEDRO C[NH+](C)CCSCC(=O)NCC#N ZINC000332488217 346414924 /nfs/dbraw/zinc/41/49/24/346414924.db2.gz QACOVDGFVHAXJG-UHFFFAOYSA-N 1 0 201.295 -0.079 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N(C)CC[NH+](C)C ZINC000332496242 535855130 /nfs/dbraw/zinc/85/51/30/535855130.db2.gz RYWBIXYBSVLRRR-UHFFFAOYSA-N 1 0 248.352 -0.430 20 30 BBEDRO CC[N@H+](C)CCNS(=O)(=O)CCC#N ZINC000332499552 384049566 /nfs/dbraw/zinc/04/95/66/384049566.db2.gz SWHPBEXTLJEBAI-UHFFFAOYSA-N 1 0 219.310 -0.229 20 30 BBEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCC[NH+](C)C ZINC000332507491 133445663 /nfs/dbraw/zinc/44/56/63/133445663.db2.gz WDQKUCASSWVZNA-SECBINFHSA-N 1 0 248.352 -0.384 20 30 BBEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCC[NH+](C)C ZINC000332507497 384063829 /nfs/dbraw/zinc/06/38/29/384063829.db2.gz WDQKUCASSWVZNA-VIFPVBQESA-N 1 0 248.352 -0.384 20 30 BBEDRO C[NH+](C)CCNS(=O)(=O)CCC#N ZINC000332508331 346417480 /nfs/dbraw/zinc/41/74/80/346417480.db2.gz ZOHOYLMZZAMTFN-UHFFFAOYSA-N 1 0 205.283 -0.619 20 30 BBEDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CCC#N ZINC000332511148 384065859 /nfs/dbraw/zinc/06/58/59/384065859.db2.gz XNZKXSPEAOJHFQ-SECBINFHSA-N 1 0 249.336 -0.868 20 30 BBEDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CCC#N ZINC000332511155 384065824 /nfs/dbraw/zinc/06/58/24/384065824.db2.gz XNZKXSPEAOJHFQ-VIFPVBQESA-N 1 0 249.336 -0.868 20 30 BBEDRO C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)C#N ZINC000332513313 535970229 /nfs/dbraw/zinc/97/02/29/535970229.db2.gz NMVHKUPVOYCEII-LLVKDONJSA-N 1 0 227.308 -0.035 20 30 BBEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)C#N ZINC000332513314 535949946 /nfs/dbraw/zinc/94/99/46/535949946.db2.gz NMVHKUPVOYCEII-NSHDSACASA-N 1 0 227.308 -0.035 20 30 BBEDRO Cn1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1C#N ZINC000332621637 388793161 /nfs/dbraw/zinc/79/31/61/388793161.db2.gz GJDXIRHJSIMQGG-RYUDHWBXSA-N 1 0 235.287 -0.176 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333470779 384280147 /nfs/dbraw/zinc/28/01/47/384280147.db2.gz AHYHQLRTLOFZAP-XXFSISAASA-N 1 0 237.303 -0.153 20 30 BBEDRO N#CC1(CN2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000334479648 386168234 /nfs/dbraw/zinc/16/82/34/386168234.db2.gz SZRXCXQMYVDZHD-SECBINFHSA-N 1 0 220.276 0.000 20 30 BBEDRO N#CC1(CN2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000334479649 386169566 /nfs/dbraw/zinc/16/95/66/386169566.db2.gz SZRXCXQMYVDZHD-VIFPVBQESA-N 1 0 220.276 0.000 20 30 BBEDRO C=C[C@H]1CCCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000334602240 354281568 /nfs/dbraw/zinc/28/15/68/354281568.db2.gz JZRHSCNOUYQVLQ-JTQLQIEISA-N 1 0 237.303 -0.359 20 30 BBEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000334602246 354281906 /nfs/dbraw/zinc/28/19/06/354281906.db2.gz JZRHSCNOUYQVLQ-SNVBAGLBSA-N 1 0 237.303 -0.359 20 30 BBEDRO C=CC1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000334602497 354281839 /nfs/dbraw/zinc/28/18/39/354281839.db2.gz LPOJZCIWEOTCDC-UHFFFAOYSA-N 1 0 237.303 -0.501 20 30 BBEDRO C=C(C)CN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000335001396 387094211 /nfs/dbraw/zinc/09/42/11/387094211.db2.gz IONIUCTYAFCQAT-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C)CN(C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335019920 385977777 /nfs/dbraw/zinc/97/77/77/385977777.db2.gz XYPDEPSWEBRPOS-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C)CN(C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000335019921 385977229 /nfs/dbraw/zinc/97/72/29/385977229.db2.gz XYPDEPSWEBRPOS-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C)CN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000335036040 385925711 /nfs/dbraw/zinc/92/57/11/385925711.db2.gz IONIUCTYAFCQAT-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO CC#CCN(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000335306316 534705887 /nfs/dbraw/zinc/70/58/87/534705887.db2.gz SJFFNNGGQCPSKW-MYJAWHEDSA-N 1 0 207.277 -0.131 20 30 BBEDRO C=CCN1CC[C@@H](N2CC[C@@H]([NH3+])C2)C1=O ZINC000335389878 136090291 /nfs/dbraw/zinc/09/02/91/136090291.db2.gz YFXQUAJMXZXLNW-NXEZZACHSA-N 1 0 209.293 -0.194 20 30 BBEDRO C=CCN1CC[C@H](N2CC[C@H]([NH3+])C2)C1=O ZINC000335389879 136090002 /nfs/dbraw/zinc/09/00/02/136090002.db2.gz YFXQUAJMXZXLNW-UWVGGRQHSA-N 1 0 209.293 -0.194 20 30 BBEDRO C=CCN1CC[C@@H](N2CC[C@H]([NH3+])C2)C1=O ZINC000335389883 136090047 /nfs/dbraw/zinc/09/00/47/136090047.db2.gz YFXQUAJMXZXLNW-VHSXEESVSA-N 1 0 209.293 -0.194 20 30 BBEDRO C=CCN1CC[C@H](N2CC[C@@H]([NH3+])C2)C1=O ZINC000335389884 136090155 /nfs/dbraw/zinc/09/01/55/136090155.db2.gz YFXQUAJMXZXLNW-ZJUUUORDSA-N 1 0 209.293 -0.194 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000335426432 386480029 /nfs/dbraw/zinc/48/00/29/386480029.db2.gz VSKBSPRIZCCCLY-NXEZZACHSA-N 1 0 239.319 -0.160 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000335426433 386479376 /nfs/dbraw/zinc/47/93/76/386479376.db2.gz VSKBSPRIZCCCLY-UWVGGRQHSA-N 1 0 239.319 -0.160 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000335426434 386479759 /nfs/dbraw/zinc/47/97/59/386479759.db2.gz VSKBSPRIZCCCLY-VHSXEESVSA-N 1 0 239.319 -0.160 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000335426435 386479327 /nfs/dbraw/zinc/47/93/27/386479327.db2.gz VSKBSPRIZCCCLY-ZJUUUORDSA-N 1 0 239.319 -0.160 20 30 BBEDRO C=CCN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000335455054 534846257 /nfs/dbraw/zinc/84/62/57/534846257.db2.gz NDTVXKODJMPGLA-JTQLQIEISA-N 1 0 209.249 -0.154 20 30 BBEDRO C=CCN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000335455055 534845908 /nfs/dbraw/zinc/84/59/08/534845908.db2.gz NDTVXKODJMPGLA-SNVBAGLBSA-N 1 0 209.249 -0.154 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000335566981 136107935 /nfs/dbraw/zinc/10/79/35/136107935.db2.gz GSDAHRFSLWCQEM-AOOOYVTPSA-N 1 0 239.319 -0.160 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000335566982 135024171 /nfs/dbraw/zinc/02/41/71/135024171.db2.gz GSDAHRFSLWCQEM-NXEZZACHSA-N 1 0 239.319 -0.160 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000335566983 136108083 /nfs/dbraw/zinc/10/80/83/136108083.db2.gz GSDAHRFSLWCQEM-UWVGGRQHSA-N 1 0 239.319 -0.160 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335567578 136108481 /nfs/dbraw/zinc/10/84/81/136108481.db2.gz LEUAUTLTRSCLOS-UHFFFAOYSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000336472170 134148124 /nfs/dbraw/zinc/14/81/24/134148124.db2.gz ZFCUNXKHYGDMLL-JTQLQIEISA-N 1 0 237.303 -0.405 20 30 BBEDRO C=C(C)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000336472171 134148181 /nfs/dbraw/zinc/14/81/81/134148181.db2.gz ZFCUNXKHYGDMLL-SNVBAGLBSA-N 1 0 237.303 -0.405 20 30 BBEDRO C=CCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000336491488 534861045 /nfs/dbraw/zinc/86/10/45/534861045.db2.gz CEJGYFIFOXPYSY-IUCAKERBSA-N 1 0 213.281 -0.511 20 30 BBEDRO C=C(C)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000336612898 134151380 /nfs/dbraw/zinc/15/13/80/134151380.db2.gz YSYFROIZFTYWFJ-MRVPVSSYSA-N 1 0 204.295 -0.075 20 30 BBEDRO C=C(C)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000336612899 533512987 /nfs/dbraw/zinc/51/29/87/533512987.db2.gz YSYFROIZFTYWFJ-QMMMGPOBSA-N 1 0 204.295 -0.075 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)CS(C)(=O)=O ZINC000336643207 386135855 /nfs/dbraw/zinc/13/58/55/386135855.db2.gz BEOWROOVCLSFFO-HTQZYQBOSA-N 1 0 207.295 -0.444 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000336643208 386134355 /nfs/dbraw/zinc/13/43/55/386134355.db2.gz BEOWROOVCLSFFO-JGVFFNPUSA-N 1 0 207.295 -0.444 20 30 BBEDRO C=C[C@@H](CO)[NH2+][C@H](C)CS(C)(=O)=O ZINC000336643211 386135867 /nfs/dbraw/zinc/13/58/67/386135867.db2.gz BEOWROOVCLSFFO-SFYZADRCSA-N 1 0 207.295 -0.444 20 30 BBEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000336643212 386134308 /nfs/dbraw/zinc/13/43/08/386134308.db2.gz BEOWROOVCLSFFO-YUMQZZPRSA-N 1 0 207.295 -0.444 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000336644314 534685057 /nfs/dbraw/zinc/68/50/57/534685057.db2.gz AHXAQIKDGHMHHF-BDAKNGLRSA-N 1 0 219.306 -0.300 20 30 BBEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000336644326 386584471 /nfs/dbraw/zinc/58/44/71/386584471.db2.gz AHXAQIKDGHMHHF-DTWKUNHWSA-N 1 0 219.306 -0.300 20 30 BBEDRO C=C[C@@H](CO)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000336644327 386583342 /nfs/dbraw/zinc/58/33/42/386583342.db2.gz AHXAQIKDGHMHHF-IUCAKERBSA-N 1 0 219.306 -0.300 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000336644328 350547089 /nfs/dbraw/zinc/54/70/89/350547089.db2.gz AHXAQIKDGHMHHF-RKDXNWHRSA-N 1 0 219.306 -0.300 20 30 BBEDRO C=C[C@@H](CO)[NH2+][C@H](C)CS(=O)(=O)CC ZINC000336649686 385600034 /nfs/dbraw/zinc/60/00/34/385600034.db2.gz HXXAXVZBRZPPLU-BDAKNGLRSA-N 1 0 221.322 -0.054 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000336649688 385600481 /nfs/dbraw/zinc/60/04/81/385600481.db2.gz HXXAXVZBRZPPLU-DTWKUNHWSA-N 1 0 221.322 -0.054 20 30 BBEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000336649689 385600298 /nfs/dbraw/zinc/60/02/98/385600298.db2.gz HXXAXVZBRZPPLU-IUCAKERBSA-N 1 0 221.322 -0.054 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)CS(=O)(=O)CC ZINC000336649690 385601028 /nfs/dbraw/zinc/60/10/28/385601028.db2.gz HXXAXVZBRZPPLU-RKDXNWHRSA-N 1 0 221.322 -0.054 20 30 BBEDRO CC#CC[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000336663826 350425100 /nfs/dbraw/zinc/42/51/00/350425100.db2.gz DKUQMILWHOQYDO-LLVKDONJSA-N 1 0 224.304 -0.075 20 30 BBEDRO CC#CC[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000336663839 350424972 /nfs/dbraw/zinc/42/49/72/350424972.db2.gz DKUQMILWHOQYDO-NSHDSACASA-N 1 0 224.304 -0.075 20 30 BBEDRO CC#CC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000336667650 350427819 /nfs/dbraw/zinc/42/78/19/350427819.db2.gz GSXAEUFVROHOCK-UHFFFAOYSA-N 1 0 221.260 -0.316 20 30 BBEDRO C[NH2+]CCN(C)S(=O)(=O)N(C)CCC#N ZINC000336668775 134894427 /nfs/dbraw/zinc/89/44/27/134894427.db2.gz GJCJLLNCMNBTIF-UHFFFAOYSA-N 1 0 234.325 -0.772 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000336670623 386806505 /nfs/dbraw/zinc/80/65/05/386806505.db2.gz HSCWUJHUFLHSOK-JTQLQIEISA-N 1 0 225.292 -0.233 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000336670633 350866406 /nfs/dbraw/zinc/86/64/06/350866406.db2.gz HSCWUJHUFLHSOK-SNVBAGLBSA-N 1 0 225.292 -0.233 20 30 BBEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CS(C)(=O)=O ZINC000336672686 386820469 /nfs/dbraw/zinc/82/04/69/386820469.db2.gz ARSLZGOIYWNHBY-BDAKNGLRSA-N 1 0 221.322 -0.054 20 30 BBEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000336672689 134896723 /nfs/dbraw/zinc/89/67/23/134896723.db2.gz ARSLZGOIYWNHBY-DTWKUNHWSA-N 1 0 221.322 -0.054 20 30 BBEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000336672691 386820062 /nfs/dbraw/zinc/82/00/62/386820062.db2.gz ARSLZGOIYWNHBY-IUCAKERBSA-N 1 0 221.322 -0.054 20 30 BBEDRO C=CC[C@H](CO)[NH2+][C@H](C)CS(C)(=O)=O ZINC000336672692 386820962 /nfs/dbraw/zinc/82/09/62/386820962.db2.gz ARSLZGOIYWNHBY-RKDXNWHRSA-N 1 0 221.322 -0.054 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000336673459 386833292 /nfs/dbraw/zinc/83/32/92/386833292.db2.gz JYAZUNMAQFKLKA-NXEZZACHSA-N 1 0 228.292 -0.582 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000336673484 386833587 /nfs/dbraw/zinc/83/35/87/386833587.db2.gz JYAZUNMAQFKLKA-UWVGGRQHSA-N 1 0 228.292 -0.582 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000336673489 386833640 /nfs/dbraw/zinc/83/36/40/386833640.db2.gz JYAZUNMAQFKLKA-VHSXEESVSA-N 1 0 228.292 -0.582 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000336673493 386835564 /nfs/dbraw/zinc/83/55/64/386835564.db2.gz JYAZUNMAQFKLKA-ZJUUUORDSA-N 1 0 228.292 -0.582 20 30 BBEDRO C=CCN(C)C(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336686915 350443291 /nfs/dbraw/zinc/44/32/91/350443291.db2.gz WYWRXMZKTGMQPR-SNVBAGLBSA-N 1 0 227.308 -0.270 20 30 BBEDRO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)NCC#N ZINC000336688412 168007298 /nfs/dbraw/zinc/00/72/98/168007298.db2.gz LPSZLTYSYISHED-MRVPVSSYSA-N 1 0 211.265 -0.529 20 30 BBEDRO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)NCC#N ZINC000336688413 350970886 /nfs/dbraw/zinc/97/08/86/350970886.db2.gz LPSZLTYSYISHED-QMMMGPOBSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[NH+](C)CCn1c(N)nc(C#N)c1C#N ZINC000336700519 411909002 /nfs/dbraw/zinc/90/90/02/411909002.db2.gz PLMCDIMWWNUDLC-UHFFFAOYSA-N 1 0 204.237 -0.230 20 30 BBEDRO CC(C)[N@H+](CCOCCO)CC(=O)NCC#N ZINC000336702132 346951041 /nfs/dbraw/zinc/95/10/41/346951041.db2.gz LBRPIWCZOYMQCQ-UHFFFAOYSA-N 1 0 243.307 -0.655 20 30 BBEDRO C[C@H](C[NH3+])CNS(=O)(=O)N(C)CCC#N ZINC000336731792 136218420 /nfs/dbraw/zinc/21/84/20/136218420.db2.gz FIHVCJPMSJUUIM-MRVPVSSYSA-N 1 0 234.325 -0.739 20 30 BBEDRO C[C@@H](C[NH3+])CNS(=O)(=O)N(C)CCC#N ZINC000336731807 136218444 /nfs/dbraw/zinc/21/84/44/136218444.db2.gz FIHVCJPMSJUUIM-QMMMGPOBSA-N 1 0 234.325 -0.739 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336738960 352320419 /nfs/dbraw/zinc/32/04/19/352320419.db2.gz KSNNDTBJMMJSPV-SECBINFHSA-N 1 0 213.281 -0.612 20 30 BBEDRO C[C@@H]([NH3+])CCNS(=O)(=O)N(C)CCC#N ZINC000336740892 352375737 /nfs/dbraw/zinc/37/57/37/352375737.db2.gz MRVOAFBCNMNOSD-MRVPVSSYSA-N 1 0 234.325 -0.596 20 30 BBEDRO C[C@H]([NH3+])CCNS(=O)(=O)N(C)CCC#N ZINC000336740893 352375817 /nfs/dbraw/zinc/37/58/17/352375817.db2.gz MRVOAFBCNMNOSD-QMMMGPOBSA-N 1 0 234.325 -0.596 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NC(C)(C)C[NH3+] ZINC000336747362 352749370 /nfs/dbraw/zinc/74/93/70/352749370.db2.gz RWWXFPVNCMSUJX-UHFFFAOYSA-N 1 0 234.325 -0.596 20 30 BBEDRO COC[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000336758365 384268596 /nfs/dbraw/zinc/26/85/96/384268596.db2.gz JRHFKHCLHQVDSL-MRVPVSSYSA-N 1 0 209.253 -0.226 20 30 BBEDRO COC[C@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000336758366 384268758 /nfs/dbraw/zinc/26/87/58/384268758.db2.gz JRHFKHCLHQVDSL-QMMMGPOBSA-N 1 0 209.253 -0.226 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NCCC[NH3+] ZINC000336760576 353172363 /nfs/dbraw/zinc/17/23/63/353172363.db2.gz MGBOHIRIFAQHJY-UHFFFAOYSA-N 1 0 220.298 -0.985 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C)CC(=O)NC ZINC000336761321 353174666 /nfs/dbraw/zinc/17/46/66/353174666.db2.gz MRQFLPQXBLUGSR-MRVPVSSYSA-N 1 0 213.281 -0.597 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CC(=O)NC ZINC000336761322 347264413 /nfs/dbraw/zinc/26/44/13/347264413.db2.gz MRQFLPQXBLUGSR-QMMMGPOBSA-N 1 0 213.281 -0.597 20 30 BBEDRO CNS(=O)(=O)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336764448 353255381 /nfs/dbraw/zinc/25/53/81/353255381.db2.gz PZGCEYOGSHLKPA-BDAKNGLRSA-N 1 0 231.321 -0.183 20 30 BBEDRO CNS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336764449 353255281 /nfs/dbraw/zinc/25/52/81/353255281.db2.gz PZGCEYOGSHLKPA-DTWKUNHWSA-N 1 0 231.321 -0.183 20 30 BBEDRO CNS(=O)(=O)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336764450 353255870 /nfs/dbraw/zinc/25/58/70/353255870.db2.gz PZGCEYOGSHLKPA-IUCAKERBSA-N 1 0 231.321 -0.183 20 30 BBEDRO CNS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336764451 353255654 /nfs/dbraw/zinc/25/56/54/353255654.db2.gz PZGCEYOGSHLKPA-RKDXNWHRSA-N 1 0 231.321 -0.183 20 30 BBEDRO CC(C)[C@](C)(CO)[NH2+]CC(=O)NCC#N ZINC000336768277 353279128 /nfs/dbraw/zinc/27/91/28/353279128.db2.gz UKSZJUOOLZIZBX-JTQLQIEISA-N 1 0 213.281 -0.377 20 30 BBEDRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)NCC#N ZINC000336768282 353279170 /nfs/dbraw/zinc/27/91/70/353279170.db2.gz UKSZJUOOLZIZBX-SNVBAGLBSA-N 1 0 213.281 -0.377 20 30 BBEDRO N#CC[C@H](O)CSc1nc(N)cc(N)[nH+]1 ZINC000336769212 487719733 /nfs/dbraw/zinc/71/97/33/487719733.db2.gz VJQBFRZOWNYMSQ-YFKPBYRVSA-N 1 0 225.277 0.008 20 30 BBEDRO C[C@H]1OCC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000336780439 386549144 /nfs/dbraw/zinc/54/91/44/386549144.db2.gz RIKUCHGRADDQJW-BDAKNGLRSA-N 1 0 221.264 -0.083 20 30 BBEDRO C[C@@H]1OCC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000336780440 386550085 /nfs/dbraw/zinc/55/00/85/386550085.db2.gz RIKUCHGRADDQJW-DTWKUNHWSA-N 1 0 221.264 -0.083 20 30 BBEDRO C[C@@H]1OCC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000336780441 176472478 /nfs/dbraw/zinc/47/24/78/176472478.db2.gz RIKUCHGRADDQJW-IUCAKERBSA-N 1 0 221.264 -0.083 20 30 BBEDRO C[C@H]1OCC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000336780442 386549331 /nfs/dbraw/zinc/54/93/31/386549331.db2.gz RIKUCHGRADDQJW-RKDXNWHRSA-N 1 0 221.264 -0.083 20 30 BBEDRO CCN(CCC#N)S(=O)(=O)NCC[NH+](C)C ZINC000336906489 350529579 /nfs/dbraw/zinc/52/95/79/350529579.db2.gz UGEBXEUDZUABMU-UHFFFAOYSA-N 1 0 248.352 -0.382 20 30 BBEDRO C[C@H](C(=O)N1CC([NH+](C)C)C1)n1cnc(C#N)n1 ZINC000337005488 383827156 /nfs/dbraw/zinc/82/71/56/383827156.db2.gz YJVHJBUWOFESGS-MRVPVSSYSA-N 1 0 248.290 -0.517 20 30 BBEDRO C[C@@H](C(=O)N1CC([NH+](C)C)C1)n1cnc(C#N)n1 ZINC000337005489 383826333 /nfs/dbraw/zinc/82/63/33/383826333.db2.gz YJVHJBUWOFESGS-QMMMGPOBSA-N 1 0 248.290 -0.517 20 30 BBEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](O)C[C@H]2CO)C1=O ZINC000337197713 135005727 /nfs/dbraw/zinc/00/57/27/135005727.db2.gz YWUATSRIHLDGRI-AXFHLTTASA-N 1 0 240.303 -0.799 20 30 BBEDRO C[C@H](C#N)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337414490 135014887 /nfs/dbraw/zinc/01/48/87/135014887.db2.gz QVLDHLJMQGNIER-PSASIEDQSA-N 1 0 213.281 -0.425 20 30 BBEDRO C[C@H](C#N)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337414991 135014833 /nfs/dbraw/zinc/01/48/33/135014833.db2.gz QVLDHLJMQGNIER-SCZZXKLOSA-N 1 0 213.281 -0.425 20 30 BBEDRO C[C@@H](C#N)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337414992 135015167 /nfs/dbraw/zinc/01/51/67/135015167.db2.gz QVLDHLJMQGNIER-WCBMZHEXSA-N 1 0 213.281 -0.425 20 30 BBEDRO C[C@@H](C#N)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337414993 135014829 /nfs/dbraw/zinc/01/48/29/135014829.db2.gz QVLDHLJMQGNIER-WPRPVWTQSA-N 1 0 213.281 -0.425 20 30 BBEDRO C=CCOCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337434717 135015749 /nfs/dbraw/zinc/01/57/49/135015749.db2.gz BYICAXSCDDSPKX-LLVKDONJSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=CCOCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337434719 135016019 /nfs/dbraw/zinc/01/60/19/135016019.db2.gz BYICAXSCDDSPKX-NSHDSACASA-N 1 0 230.308 -0.382 20 30 BBEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC000338297812 135033320 /nfs/dbraw/zinc/03/33/20/135033320.db2.gz URNMMERGAKZJKM-BDAKNGLRSA-N 1 0 241.291 -0.197 20 30 BBEDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC000338297815 135034004 /nfs/dbraw/zinc/03/40/04/135034004.db2.gz URNMMERGAKZJKM-DTWKUNHWSA-N 1 0 241.291 -0.197 20 30 BBEDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC000338297821 535439744 /nfs/dbraw/zinc/43/97/44/535439744.db2.gz URNMMERGAKZJKM-IUCAKERBSA-N 1 0 241.291 -0.197 20 30 BBEDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC000338297832 135034019 /nfs/dbraw/zinc/03/40/19/135034019.db2.gz URNMMERGAKZJKM-RKDXNWHRSA-N 1 0 241.291 -0.197 20 30 BBEDRO C[C@H](CO)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000338599316 135041860 /nfs/dbraw/zinc/04/18/60/135041860.db2.gz MSUOEFDFNRPXOZ-SECBINFHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@@H](CO)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000338599317 135041881 /nfs/dbraw/zinc/04/18/81/135041881.db2.gz MSUOEFDFNRPXOZ-VIFPVBQESA-N 1 0 225.292 -0.139 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338600138 135041947 /nfs/dbraw/zinc/04/19/47/135041947.db2.gz QOVLBTCXUPGKLH-SECBINFHSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338600139 534859618 /nfs/dbraw/zinc/85/96/18/534859618.db2.gz QOVLBTCXUPGKLH-VIFPVBQESA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CCOCC[NH+]1CCN(CCO)CC1 ZINC000338899314 365440451 /nfs/dbraw/zinc/44/04/51/365440451.db2.gz GATLCIKYRJXEEP-UHFFFAOYSA-N 1 0 214.309 -0.201 20 30 BBEDRO N#CCCOCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000338910766 365441759 /nfs/dbraw/zinc/44/17/59/365441759.db2.gz QVNTXFQJUSHOGE-SECBINFHSA-N 1 0 211.265 -0.134 20 30 BBEDRO N#CCCOCC[N@H+]1CCC[C@H]1C(N)=O ZINC000338910767 365441568 /nfs/dbraw/zinc/44/15/68/365441568.db2.gz QVNTXFQJUSHOGE-VIFPVBQESA-N 1 0 211.265 -0.134 20 30 BBEDRO COCC[N@H+](CCO)CCOCCC#N ZINC000338954107 343692641 /nfs/dbraw/zinc/69/26/41/343692641.db2.gz IOWAXEJWAPZBLS-UHFFFAOYSA-N 1 0 216.281 -0.143 20 30 BBEDRO N#CCCOCC[NH+](CCO)CCO ZINC000338959293 365443275 /nfs/dbraw/zinc/44/32/75/365443275.db2.gz FAVCREVFTUGSDY-UHFFFAOYSA-N 1 0 202.254 -0.797 20 30 BBEDRO CNC(=O)CC[N@H+](C)CCOCCC#N ZINC000338959395 365443137 /nfs/dbraw/zinc/44/31/37/365443137.db2.gz XKNRWWJXOUGNHR-UHFFFAOYSA-N 1 0 213.281 -0.015 20 30 BBEDRO N#CCCOCC[N@@H+]1CCNC(=O)CC1 ZINC000338961233 365443327 /nfs/dbraw/zinc/44/33/27/365443327.db2.gz QFABZUZFWJTRQS-UHFFFAOYSA-N 1 0 211.265 -0.261 20 30 BBEDRO C=CCOCC[N@@H+](CCO)CCCO ZINC000338991966 388477766 /nfs/dbraw/zinc/47/77/66/388477766.db2.gz FUSIWCZMKIDFFP-UHFFFAOYSA-N 1 0 203.282 -0.134 20 30 BBEDRO N#CCCOCC[N@@H+](CCO)CCCO ZINC000338992603 365444879 /nfs/dbraw/zinc/44/48/79/365444879.db2.gz PYWBNIUCKKSTOM-UHFFFAOYSA-N 1 0 216.281 -0.407 20 30 BBEDRO C[C@@H]1CN(CCOCCC#N)C[C@H](C(N)=O)O1 ZINC000339019446 135052468 /nfs/dbraw/zinc/05/24/68/135052468.db2.gz WAPBNCDAEUIXQM-NXEZZACHSA-N 1 0 241.291 -0.509 20 30 BBEDRO C[C@H]1CN(CCOCCC#N)C[C@@H](C(N)=O)O1 ZINC000339019447 135053522 /nfs/dbraw/zinc/05/35/22/135053522.db2.gz WAPBNCDAEUIXQM-UWVGGRQHSA-N 1 0 241.291 -0.509 20 30 BBEDRO C[C@H]1CN(CCOCCC#N)C[C@H](C(N)=O)O1 ZINC000339019448 135053364 /nfs/dbraw/zinc/05/33/64/135053364.db2.gz WAPBNCDAEUIXQM-VHSXEESVSA-N 1 0 241.291 -0.509 20 30 BBEDRO C[C@@H]1CN(CCOCCC#N)C[C@@H](C(N)=O)O1 ZINC000339019449 135052518 /nfs/dbraw/zinc/05/25/18/135052518.db2.gz WAPBNCDAEUIXQM-ZJUUUORDSA-N 1 0 241.291 -0.509 20 30 BBEDRO C[N@H+](CCOCCC#N)CC(C)(CO)CO ZINC000339020945 135053471 /nfs/dbraw/zinc/05/34/71/135053471.db2.gz FTPAFEAOTAEKLV-UHFFFAOYSA-N 1 0 230.308 -0.161 20 30 BBEDRO C[C@@H]1CO[C@@H](CO)CN1CCOCCC#N ZINC000339025374 136271101 /nfs/dbraw/zinc/27/11/01/136271101.db2.gz ITIZYRJNBCILRK-GHMZBOCLSA-N 1 0 228.292 -0.002 20 30 BBEDRO C[C@@H]1CO[C@H](CO)CN1CCOCCC#N ZINC000339025375 136271220 /nfs/dbraw/zinc/27/12/20/136271220.db2.gz ITIZYRJNBCILRK-MNOVXSKESA-N 1 0 228.292 -0.002 20 30 BBEDRO C[C@H]1CO[C@@H](CO)CN1CCOCCC#N ZINC000339025377 177299690 /nfs/dbraw/zinc/29/96/90/177299690.db2.gz ITIZYRJNBCILRK-WDEREUQCSA-N 1 0 228.292 -0.002 20 30 BBEDRO C=CCOCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000339036359 135052248 /nfs/dbraw/zinc/05/22/48/135052248.db2.gz QFUZBJNFSIGAKU-JTQLQIEISA-N 1 0 248.348 -0.058 20 30 BBEDRO C=CCOCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000339036360 135052785 /nfs/dbraw/zinc/05/27/85/135052785.db2.gz QFUZBJNFSIGAKU-SNVBAGLBSA-N 1 0 248.348 -0.058 20 30 BBEDRO C[N@H+](CCOCCC#N)[C@@H]1CCNC1=O ZINC000339059304 135055494 /nfs/dbraw/zinc/05/54/94/135055494.db2.gz RAQBWFGDHSFAEK-SECBINFHSA-N 1 0 211.265 -0.263 20 30 BBEDRO C[N@H+](CCOCCC#N)[C@H]1CCNC1=O ZINC000339059305 135055525 /nfs/dbraw/zinc/05/55/25/135055525.db2.gz RAQBWFGDHSFAEK-VIFPVBQESA-N 1 0 211.265 -0.263 20 30 BBEDRO C[N@H+](CCOCCC#N)[C@@]1(CO)CCOC1 ZINC000339081049 135057384 /nfs/dbraw/zinc/05/73/84/135057384.db2.gz GTCMGNQRMHJYNQ-LLVKDONJSA-N 1 0 228.292 0.000 20 30 BBEDRO C[N@H+](CCOCCC#N)[C@]1(CO)CCOC1 ZINC000339081050 135057246 /nfs/dbraw/zinc/05/72/46/135057246.db2.gz GTCMGNQRMHJYNQ-NSHDSACASA-N 1 0 228.292 0.000 20 30 BBEDRO CNC(=O)N[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339096338 135058505 /nfs/dbraw/zinc/05/85/05/135058505.db2.gz HKWGEHANDGQEGF-JTQLQIEISA-N 1 0 240.307 -0.080 20 30 BBEDRO CNC(=O)N[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339096339 135058380 /nfs/dbraw/zinc/05/83/80/135058380.db2.gz HKWGEHANDGQEGF-SNVBAGLBSA-N 1 0 240.307 -0.080 20 30 BBEDRO C[C@@H](O)C[N@H+](CCOCCC#N)[C@H](C)CO ZINC000339115044 135060928 /nfs/dbraw/zinc/06/09/28/135060928.db2.gz XSJRPENUITWTDC-GHMZBOCLSA-N 1 0 230.308 -0.020 20 30 BBEDRO C[C@H](CO)[N@@H+](CCOCCC#N)C[C@H](C)O ZINC000339115046 135061030 /nfs/dbraw/zinc/06/10/30/135061030.db2.gz XSJRPENUITWTDC-MNOVXSKESA-N 1 0 230.308 -0.020 20 30 BBEDRO C[C@H](O)C[N@H+](CCOCCC#N)[C@@H](C)CO ZINC000339115047 135061583 /nfs/dbraw/zinc/06/15/83/135061583.db2.gz XSJRPENUITWTDC-QWRGUYRKSA-N 1 0 230.308 -0.020 20 30 BBEDRO C[C@@H](O)C[N@H+](CCOCCC#N)[C@@H](C)CO ZINC000339115048 135061624 /nfs/dbraw/zinc/06/16/24/135061624.db2.gz XSJRPENUITWTDC-WDEREUQCSA-N 1 0 230.308 -0.020 20 30 BBEDRO C[C@@H]1CN(CCOCCC#N)C[C@H](CO)O1 ZINC000339119370 388479815 /nfs/dbraw/zinc/47/98/15/388479815.db2.gz QDRPPNXWKUVREJ-GHMZBOCLSA-N 1 0 228.292 -0.002 20 30 BBEDRO C[C@@H]1CN(CCOCCC#N)C[C@@H](CO)O1 ZINC000339119371 388479580 /nfs/dbraw/zinc/47/95/80/388479580.db2.gz QDRPPNXWKUVREJ-MNOVXSKESA-N 1 0 228.292 -0.002 20 30 BBEDRO C[C@H]1CN(CCOCCC#N)C[C@H](CO)O1 ZINC000339119373 365450307 /nfs/dbraw/zinc/45/03/07/365450307.db2.gz QDRPPNXWKUVREJ-WDEREUQCSA-N 1 0 228.292 -0.002 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000339120456 343695264 /nfs/dbraw/zinc/69/52/64/343695264.db2.gz ZEZBKOQTHRCUDK-JTQLQIEISA-N 1 0 214.265 -0.889 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000339120457 343695454 /nfs/dbraw/zinc/69/54/54/343695454.db2.gz ZEZBKOQTHRCUDK-SNVBAGLBSA-N 1 0 214.265 -0.889 20 30 BBEDRO C[N@H+](CCOCCC#N)[C@@H]1COC[C@H]1O ZINC000339192808 135065254 /nfs/dbraw/zinc/06/52/54/135065254.db2.gz JWOAMDSCGDUJNL-NXEZZACHSA-N 1 0 214.265 -0.392 20 30 BBEDRO C[N@H+](CCOCCC#N)[C@H]1COC[C@@H]1O ZINC000339192809 135064841 /nfs/dbraw/zinc/06/48/41/135064841.db2.gz JWOAMDSCGDUJNL-UWVGGRQHSA-N 1 0 214.265 -0.392 20 30 BBEDRO C[N@H+](CCOCCC#N)[C@H]1COC[C@H]1O ZINC000339192810 135065323 /nfs/dbraw/zinc/06/53/23/135065323.db2.gz JWOAMDSCGDUJNL-VHSXEESVSA-N 1 0 214.265 -0.392 20 30 BBEDRO C[N@H+](CCOCCC#N)[C@@H]1COC[C@@H]1O ZINC000339192811 135065020 /nfs/dbraw/zinc/06/50/20/135065020.db2.gz JWOAMDSCGDUJNL-ZJUUUORDSA-N 1 0 214.265 -0.392 20 30 BBEDRO C=CCOCC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000339192846 135065057 /nfs/dbraw/zinc/06/50/57/135065057.db2.gz KTPKRPQZUAGLBG-NXEZZACHSA-N 1 0 201.266 -0.120 20 30 BBEDRO C=CCOCC[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000339192847 135065627 /nfs/dbraw/zinc/06/56/27/135065627.db2.gz KTPKRPQZUAGLBG-UWVGGRQHSA-N 1 0 201.266 -0.120 20 30 BBEDRO C=CCOCC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000339192848 135064751 /nfs/dbraw/zinc/06/47/51/135064751.db2.gz KTPKRPQZUAGLBG-VHSXEESVSA-N 1 0 201.266 -0.120 20 30 BBEDRO C=CCOCC[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000339192849 135065425 /nfs/dbraw/zinc/06/54/25/135065425.db2.gz KTPKRPQZUAGLBG-ZJUUUORDSA-N 1 0 201.266 -0.120 20 30 BBEDRO N#CCCOCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000339196384 135066494 /nfs/dbraw/zinc/06/64/94/135066494.db2.gz BDAXHPGNJZMHJU-GHMZBOCLSA-N 1 0 228.292 -0.266 20 30 BBEDRO N#CCCOCC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000339196385 135065780 /nfs/dbraw/zinc/06/57/80/135065780.db2.gz BDAXHPGNJZMHJU-PHIMTYICSA-N 1 0 228.292 -0.266 20 30 BBEDRO N#CCCOCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000339196386 135066417 /nfs/dbraw/zinc/06/64/17/135066417.db2.gz BDAXHPGNJZMHJU-QWRGUYRKSA-N 1 0 228.292 -0.266 20 30 BBEDRO C=CCOCC[N@@H+](CCO)C[C@H](C)O ZINC000339203879 365452107 /nfs/dbraw/zinc/45/21/07/365452107.db2.gz MBUHLAXOPVZFRC-JTQLQIEISA-N 1 0 203.282 -0.136 20 30 BBEDRO C=CCOCC[N@@H+](CCO)C[C@@H](C)O ZINC000339203881 365451400 /nfs/dbraw/zinc/45/14/00/365451400.db2.gz MBUHLAXOPVZFRC-SNVBAGLBSA-N 1 0 203.282 -0.136 20 30 BBEDRO C[C@H](O)C[N@H+](CCO)CCOCCC#N ZINC000339205655 365452421 /nfs/dbraw/zinc/45/24/21/365452421.db2.gz SXVHRDIXSZKMMZ-JTQLQIEISA-N 1 0 216.281 -0.408 20 30 BBEDRO C[C@@H](O)C[N@H+](CCO)CCOCCC#N ZINC000339205656 365452076 /nfs/dbraw/zinc/45/20/76/365452076.db2.gz SXVHRDIXSZKMMZ-SNVBAGLBSA-N 1 0 216.281 -0.408 20 30 BBEDRO CCNC(=O)[C@@H]([NH2+]CC(=O)NCC#N)C(C)C ZINC000339327021 535391381 /nfs/dbraw/zinc/39/13/81/535391381.db2.gz CCMYYDPNLGNYIR-JTQLQIEISA-N 1 0 240.307 -0.624 20 30 BBEDRO CCNC(=O)[C@H]([NH2+]CC(=O)NCC#N)C(C)C ZINC000339327025 135070869 /nfs/dbraw/zinc/07/08/69/135070869.db2.gz CCMYYDPNLGNYIR-SNVBAGLBSA-N 1 0 240.307 -0.624 20 30 BBEDRO C[C@@H]1CN(CC(=O)NCC#N)C[C@@H](C)[NH+]1C ZINC000339623087 135076762 /nfs/dbraw/zinc/07/67/62/135076762.db2.gz VSRNPOBAGWRBIR-NXEZZACHSA-N 1 0 224.308 -0.349 20 30 BBEDRO C[C@H]1CN(CC(=O)NCC#N)C[C@H](C)[NH+]1C ZINC000339623088 135076884 /nfs/dbraw/zinc/07/68/84/135076884.db2.gz VSRNPOBAGWRBIR-UWVGGRQHSA-N 1 0 224.308 -0.349 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](CC)[C@H](C)CO ZINC000339629403 135076444 /nfs/dbraw/zinc/07/64/44/135076444.db2.gz RXGPNGJTGIZZRE-SECBINFHSA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](CC)[C@@H](C)CO ZINC000339629404 135076674 /nfs/dbraw/zinc/07/66/74/135076674.db2.gz RXGPNGJTGIZZRE-VIFPVBQESA-N 1 0 243.307 -0.299 20 30 BBEDRO CC#CC[N@@H+](C)CCCS(=O)(=O)NC ZINC000339748953 135080289 /nfs/dbraw/zinc/08/02/89/135080289.db2.gz FMTHSKGIMFKFHN-UHFFFAOYSA-N 1 0 218.322 -0.119 20 30 BBEDRO CC#CC[N@@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000339751228 135080600 /nfs/dbraw/zinc/08/06/00/135080600.db2.gz JETOGXGGYRXXBL-UHFFFAOYSA-N 1 0 240.303 -0.037 20 30 BBEDRO CC#CC[N@@H+](C)CCC(=O)NCC(=O)OC ZINC000339751252 135080618 /nfs/dbraw/zinc/08/06/18/135080618.db2.gz JYPHZAFVVRSZBS-UHFFFAOYSA-N 1 0 226.276 -0.379 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000339753623 365472504 /nfs/dbraw/zinc/47/25/04/365472504.db2.gz MVQFGNXDHMQEEN-JTQLQIEISA-N 1 0 225.292 -0.279 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000339753631 365471826 /nfs/dbraw/zinc/47/18/26/365471826.db2.gz MVQFGNXDHMQEEN-SNVBAGLBSA-N 1 0 225.292 -0.279 20 30 BBEDRO CC[NH+]1CCN(CC(=O)N[C@@H](C)C#N)CC1 ZINC000340437562 535660893 /nfs/dbraw/zinc/66/08/93/535660893.db2.gz WODNZAZQAMKFFD-JTQLQIEISA-N 1 0 224.308 -0.348 20 30 BBEDRO CC[NH+]1CCN(CC(=O)N[C@H](C)C#N)CC1 ZINC000340437563 136289581 /nfs/dbraw/zinc/28/95/81/136289581.db2.gz WODNZAZQAMKFFD-SNVBAGLBSA-N 1 0 224.308 -0.348 20 30 BBEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC)CC1 ZINC000340623343 135203196 /nfs/dbraw/zinc/20/31/96/135203196.db2.gz SLHMWJDTWGEEOO-UHFFFAOYSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340911379 365506978 /nfs/dbraw/zinc/50/69/78/365506978.db2.gz FAJYGWJEJJDNKV-BDAKNGLRSA-N 1 0 241.291 -0.547 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340911382 365507458 /nfs/dbraw/zinc/50/74/58/365507458.db2.gz FAJYGWJEJJDNKV-DTWKUNHWSA-N 1 0 241.291 -0.547 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340911383 365506002 /nfs/dbraw/zinc/50/60/02/365506002.db2.gz FAJYGWJEJJDNKV-IUCAKERBSA-N 1 0 241.291 -0.547 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000340911385 365505643 /nfs/dbraw/zinc/50/56/43/365505643.db2.gz FAJYGWJEJJDNKV-RKDXNWHRSA-N 1 0 241.291 -0.547 20 30 BBEDRO CC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC000341003809 388493695 /nfs/dbraw/zinc/49/36/95/388493695.db2.gz AEFCPNKSOOWXMC-BDAKNGLRSA-N 1 0 211.265 -0.671 20 30 BBEDRO CC[C@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC000341003820 388494262 /nfs/dbraw/zinc/49/42/62/388494262.db2.gz AEFCPNKSOOWXMC-DTWKUNHWSA-N 1 0 211.265 -0.671 20 30 BBEDRO CC[C@H]1C[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC000341003823 388493988 /nfs/dbraw/zinc/49/39/88/388493988.db2.gz AEFCPNKSOOWXMC-IUCAKERBSA-N 1 0 211.265 -0.671 20 30 BBEDRO CC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC000341003825 388493861 /nfs/dbraw/zinc/49/38/61/388493861.db2.gz AEFCPNKSOOWXMC-RKDXNWHRSA-N 1 0 211.265 -0.671 20 30 BBEDRO CC#CCN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000341050548 136222519 /nfs/dbraw/zinc/22/25/19/136222519.db2.gz QMVVMVHDPRLAII-GFCCVEGCSA-N 1 0 235.331 -0.142 20 30 BBEDRO CC#CCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000341050560 136222489 /nfs/dbraw/zinc/22/24/89/136222489.db2.gz QMVVMVHDPRLAII-LBPRGKRZSA-N 1 0 235.331 -0.142 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NCCC[NH+](C)C ZINC000341464199 135239831 /nfs/dbraw/zinc/23/98/31/135239831.db2.gz JHLQEUBWDKGGNU-UHFFFAOYSA-N 1 0 248.352 -0.382 20 30 BBEDRO O[C@H]1CCN(CC#CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000341901087 183237836 /nfs/dbraw/zinc/23/78/36/183237836.db2.gz JZNVLDIOSOYNBN-RYUDHWBXSA-N 1 0 224.304 -0.877 20 30 BBEDRO O[C@@H]1CCN(CC#CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000341901103 183197378 /nfs/dbraw/zinc/19/73/78/183197378.db2.gz JZNVLDIOSOYNBN-VXGBXAGGSA-N 1 0 224.304 -0.877 20 30 BBEDRO C=CCNC(=O)NC(=O)CNCC1([NH3+])CCC1 ZINC000342135141 534861919 /nfs/dbraw/zinc/86/19/19/534861919.db2.gz OCRJYAVTXPDMKI-UHFFFAOYSA-N 1 0 240.307 -0.531 20 30 BBEDRO C=CCN(CC=C)C(=O)CN(CC[NH3+])CCO ZINC000342388436 135270341 /nfs/dbraw/zinc/27/03/41/135270341.db2.gz NIBVSUVCAUWFGV-UHFFFAOYSA-N 1 0 241.335 -0.560 20 30 BBEDRO C=CC[C@@H](CO)CNC(=O)C[NH+](C)C ZINC000342405331 135271944 /nfs/dbraw/zinc/27/19/44/135271944.db2.gz AYMXIGLCECOOAG-SECBINFHSA-N 1 0 200.282 -0.151 20 30 BBEDRO C=CC[C@H](CO)CNC(=O)C[NH+](C)C ZINC000342405337 534387959 /nfs/dbraw/zinc/38/79/59/534387959.db2.gz AYMXIGLCECOOAG-VIFPVBQESA-N 1 0 200.282 -0.151 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NCC1([NH3+])CCC1 ZINC000342524375 536300674 /nfs/dbraw/zinc/30/06/74/536300674.db2.gz KFWYPXDSCCLZBL-UHFFFAOYSA-N 1 0 246.336 -0.452 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCOC[C@H]1C#N ZINC000342759769 135325630 /nfs/dbraw/zinc/32/56/30/135325630.db2.gz YRTGSHUHPOWTPE-GMTAPVOTSA-N 1 0 237.303 -0.065 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCOC[C@H]1C#N ZINC000342759773 135325715 /nfs/dbraw/zinc/32/57/15/135325715.db2.gz YRTGSHUHPOWTPE-MXWKQRLJSA-N 1 0 237.303 -0.065 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCOC[C@@H]1C#N ZINC000342759777 135325195 /nfs/dbraw/zinc/32/51/95/135325195.db2.gz YRTGSHUHPOWTPE-OUAUKWLOSA-N 1 0 237.303 -0.065 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCOC[C@@H]1C#N ZINC000342759781 135325487 /nfs/dbraw/zinc/32/54/87/135325487.db2.gz YRTGSHUHPOWTPE-VWYCJHECSA-N 1 0 237.303 -0.065 20 30 BBEDRO Cc1cc(C#N)nc(NC[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000342831097 412303442 /nfs/dbraw/zinc/30/34/42/412303442.db2.gz LEJFXDVRTZOVJQ-GFCCVEGCSA-N 1 0 247.302 0.135 20 30 BBEDRO Cc1cc(C#N)nc(NC[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000342831098 412302366 /nfs/dbraw/zinc/30/23/66/412302366.db2.gz LEJFXDVRTZOVJQ-LBPRGKRZSA-N 1 0 247.302 0.135 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCn1cnc(C#N)n1 ZINC000342883821 342878281 /nfs/dbraw/zinc/87/82/81/342878281.db2.gz OKRZERHRSAGCKI-SECBINFHSA-N 1 0 248.290 -0.640 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)NCCn1cnc(C#N)n1 ZINC000342883822 342878337 /nfs/dbraw/zinc/87/83/37/342878337.db2.gz OKRZERHRSAGCKI-VIFPVBQESA-N 1 0 248.290 -0.640 20 30 BBEDRO Cc1ncc(C(=O)NCCn2cnc(C#N)n2)[nH]1 ZINC000342892725 342880043 /nfs/dbraw/zinc/88/00/43/342880043.db2.gz ODRJIBYHXRAAEC-UHFFFAOYSA-N 1 0 245.246 -0.389 20 30 BBEDRO CC#CCNC(=O)CN1CC[NH+](CC)CC1 ZINC000342994185 135343178 /nfs/dbraw/zinc/34/31/78/135343178.db2.gz OZWYEHYEIKREKE-UHFFFAOYSA-N 1 0 223.320 -0.237 20 30 BBEDRO CC[C@H](C(=O)NCC(=O)NCC#N)[NH+](C)C ZINC000343508417 353922615 /nfs/dbraw/zinc/92/26/15/353922615.db2.gz PEDDDFDNBGDWHV-MRVPVSSYSA-N 1 0 226.280 -0.917 20 30 BBEDRO CC[C@@H](C(=O)NCC(=O)NCC#N)[NH+](C)C ZINC000343508419 353922585 /nfs/dbraw/zinc/92/25/85/353922585.db2.gz PEDDDFDNBGDWHV-QMMMGPOBSA-N 1 0 226.280 -0.917 20 30 BBEDRO CC[N@H+](CC(=O)NCC(=O)NCC#N)C1CC1 ZINC000343532220 353929635 /nfs/dbraw/zinc/92/96/35/353929635.db2.gz YMCPTSKHXSYFDL-UHFFFAOYSA-N 1 0 238.291 -0.773 20 30 BBEDRO N#CCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343656966 353955813 /nfs/dbraw/zinc/95/58/13/353955813.db2.gz MZNGGCXKXKXTPY-UHFFFAOYSA-N 1 0 236.319 -0.250 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000343892564 135714175 /nfs/dbraw/zinc/71/41/75/135714175.db2.gz SIIBPOITCSMKJQ-VIFPVBQESA-N 1 0 225.292 -0.596 20 30 BBEDRO CC(C)[C@@H](C(=O)NCC(=O)NCC#N)[NH+](C)C ZINC000344113241 135743388 /nfs/dbraw/zinc/74/33/88/135743388.db2.gz JQQXMTIVEJHUSB-JTQLQIEISA-N 1 0 240.307 -0.671 20 30 BBEDRO CC(C)[C@H](C(=O)NCC(=O)NCC#N)[NH+](C)C ZINC000344113242 354140376 /nfs/dbraw/zinc/14/03/76/354140376.db2.gz JQQXMTIVEJHUSB-SNVBAGLBSA-N 1 0 240.307 -0.671 20 30 BBEDRO CCC[N@H+](C)CC(=O)NCC(=O)NCC#N ZINC000344147486 354154035 /nfs/dbraw/zinc/15/40/35/354154035.db2.gz CLXRGDQZSZTDEC-UHFFFAOYSA-N 1 0 226.280 -0.916 20 30 BBEDRO CC[NH+](CC)CC(=O)NCC(=O)NCC#N ZINC000344175550 354173347 /nfs/dbraw/zinc/17/33/47/354173347.db2.gz GEIJIEOYSNMHDT-UHFFFAOYSA-N 1 0 226.280 -0.916 20 30 BBEDRO CC(C)[N@H+](C)CC(=O)NCC(=O)NCC#N ZINC000344182718 354177224 /nfs/dbraw/zinc/17/72/24/354177224.db2.gz VFJKJLOVOZHFNT-UHFFFAOYSA-N 1 0 226.280 -0.917 20 30 BBEDRO C=CCOCCCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000344453083 354262390 /nfs/dbraw/zinc/26/23/90/354262390.db2.gz YDURZXRJRFUFHK-GHMZBOCLSA-N 1 0 242.319 -0.334 20 30 BBEDRO C=CCOCCCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000344453084 354262315 /nfs/dbraw/zinc/26/23/15/354262315.db2.gz YDURZXRJRFUFHK-MNOVXSKESA-N 1 0 242.319 -0.334 20 30 BBEDRO C=CCOCCCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000344453085 354262275 /nfs/dbraw/zinc/26/22/75/354262275.db2.gz YDURZXRJRFUFHK-QWRGUYRKSA-N 1 0 242.319 -0.334 20 30 BBEDRO C=CCOCCCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000344453086 354262459 /nfs/dbraw/zinc/26/24/59/354262459.db2.gz YDURZXRJRFUFHK-WDEREUQCSA-N 1 0 242.319 -0.334 20 30 BBEDRO C[C@H](C[NH+](C)C)NS(=O)(=O)N(C)CCC#N ZINC000344883677 386790635 /nfs/dbraw/zinc/79/06/35/386790635.db2.gz GDTFJIBUZASEPR-SECBINFHSA-N 1 0 248.352 -0.384 20 30 BBEDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)N(C)CCC#N ZINC000344883680 386789741 /nfs/dbraw/zinc/78/97/41/386789741.db2.gz GDTFJIBUZASEPR-VIFPVBQESA-N 1 0 248.352 -0.384 20 30 BBEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCO ZINC000345789242 354768230 /nfs/dbraw/zinc/76/82/30/354768230.db2.gz GWCUCCLFRWGIFY-SECBINFHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCO ZINC000345789243 354768239 /nfs/dbraw/zinc/76/82/39/354768239.db2.gz GWCUCCLFRWGIFY-VIFPVBQESA-N 1 0 225.292 -0.139 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](CC)CO ZINC000345830987 344519532 /nfs/dbraw/zinc/51/95/32/344519532.db2.gz KLAGMSGXDWGXPN-SECBINFHSA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](CC)CO ZINC000345830988 344519933 /nfs/dbraw/zinc/51/99/33/344519933.db2.gz KLAGMSGXDWGXPN-VIFPVBQESA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCOCC(=O)NCCOCC[NH+](C)C ZINC000345949380 354817622 /nfs/dbraw/zinc/81/76/22/354817622.db2.gz FMSNNYDCRMUKED-UHFFFAOYSA-N 1 0 230.308 -0.117 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000346091302 536300635 /nfs/dbraw/zinc/30/06/35/536300635.db2.gz XSHNMZJYZRSADY-SECBINFHSA-N 1 0 246.336 -0.500 20 30 BBEDRO C[C@H](C[NH+](C)C)NC(=O)c1cnn(C)c1C#N ZINC000346153767 387503688 /nfs/dbraw/zinc/50/36/88/387503688.db2.gz HZLPFZUBBFWPPW-MRVPVSSYSA-N 1 0 235.291 -0.028 20 30 BBEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cnn(C)c1C#N ZINC000346153773 387503166 /nfs/dbraw/zinc/50/31/66/387503166.db2.gz HZLPFZUBBFWPPW-QMMMGPOBSA-N 1 0 235.291 -0.028 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346269618 136240525 /nfs/dbraw/zinc/24/05/25/136240525.db2.gz COZHLMUMJDHNDG-NXEZZACHSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346269619 354886786 /nfs/dbraw/zinc/88/67/86/354886786.db2.gz COZHLMUMJDHNDG-UWVGGRQHSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346269620 135916869 /nfs/dbraw/zinc/91/68/69/135916869.db2.gz COZHLMUMJDHNDG-VHSXEESVSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346269621 365975611 /nfs/dbraw/zinc/97/56/11/365975611.db2.gz COZHLMUMJDHNDG-ZJUUUORDSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCOCCC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000346590686 354986274 /nfs/dbraw/zinc/98/62/74/354986274.db2.gz PDCGUSRHARXLIJ-GFCCVEGCSA-N 1 0 242.319 -0.109 20 30 BBEDRO C=CCOCCC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000346590687 354985733 /nfs/dbraw/zinc/98/57/33/354985733.db2.gz PDCGUSRHARXLIJ-LBPRGKRZSA-N 1 0 242.319 -0.109 20 30 BBEDRO CC[N@H+](CCO)CC(=O)NC1(C#N)CCC1 ZINC000346859234 355118373 /nfs/dbraw/zinc/11/83/73/355118373.db2.gz YQMAVIHOJZGQRO-UHFFFAOYSA-N 1 0 225.292 -0.137 20 30 BBEDRO C[NH+](C)CC(=O)N1CCN(C(=O)CC#N)CC1 ZINC000346886575 355144653 /nfs/dbraw/zinc/14/46/53/355144653.db2.gz NTWRYJNLIZIFMB-UHFFFAOYSA-N 1 0 238.291 -0.868 20 30 BBEDRO C[C@H](C#N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000347032437 412185642 /nfs/dbraw/zinc/18/56/42/412185642.db2.gz GAZOHISWAGVGNB-SECBINFHSA-N 1 0 235.291 0.543 20 30 BBEDRO C[C@@H](C#N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000347032440 411189677 /nfs/dbraw/zinc/18/96/77/411189677.db2.gz GAZOHISWAGVGNB-VIFPVBQESA-N 1 0 235.291 0.543 20 30 BBEDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC000347121050 386235467 /nfs/dbraw/zinc/23/54/67/386235467.db2.gz YGFJYRLFJMDKAE-NXEZZACHSA-N 1 0 225.292 -0.017 20 30 BBEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC000347121051 386234473 /nfs/dbraw/zinc/23/44/73/386234473.db2.gz YGFJYRLFJMDKAE-UWVGGRQHSA-N 1 0 225.292 -0.017 20 30 BBEDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC000347121052 386234739 /nfs/dbraw/zinc/23/47/39/386234739.db2.gz YGFJYRLFJMDKAE-VHSXEESVSA-N 1 0 225.292 -0.017 20 30 BBEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC000347121053 386235782 /nfs/dbraw/zinc/23/57/82/386235782.db2.gz YGFJYRLFJMDKAE-ZJUUUORDSA-N 1 0 225.292 -0.017 20 30 BBEDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CC#N)CC1 ZINC000347249504 386278727 /nfs/dbraw/zinc/27/87/27/386278727.db2.gz YGRKBVQCYKLVRZ-JTQLQIEISA-N 1 0 225.292 -0.185 20 30 BBEDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CC#N)CC1 ZINC000347249515 386279722 /nfs/dbraw/zinc/27/97/22/386279722.db2.gz YGRKBVQCYKLVRZ-SNVBAGLBSA-N 1 0 225.292 -0.185 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347301120 386303598 /nfs/dbraw/zinc/30/35/98/386303598.db2.gz JGYHVHZSIHWFNA-AOOOYVTPSA-N 1 0 228.292 -0.894 20 30 BBEDRO CC[N@H+](CCO)CCNC(=O)NCCCC#N ZINC000347440629 386404823 /nfs/dbraw/zinc/40/48/23/386404823.db2.gz KQVAGSSAJBBTHN-UHFFFAOYSA-N 1 0 242.323 -0.096 20 30 BBEDRO CC[N@H+](CCO)CCNC(=O)CSCC#N ZINC000347793180 136010125 /nfs/dbraw/zinc/01/01/25/136010125.db2.gz LMETURDJQYHRDE-UHFFFAOYSA-N 1 0 245.348 -0.326 20 30 BBEDRO CC[N@H+](CCO)CCNC(=O)[C@H](C)C#N ZINC000347811895 136013581 /nfs/dbraw/zinc/01/35/81/136013581.db2.gz VIVJMZXBXPVZMN-SECBINFHSA-N 1 0 213.281 -0.424 20 30 BBEDRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)C#N ZINC000347811904 136013656 /nfs/dbraw/zinc/01/36/56/136013656.db2.gz VIVJMZXBXPVZMN-VIFPVBQESA-N 1 0 213.281 -0.424 20 30 BBEDRO C=CCOCC(=O)NCC[N@H+](CC)CCO ZINC000347818497 534869578 /nfs/dbraw/zinc/86/95/78/534869578.db2.gz YQBNQOAYOXBERF-UHFFFAOYSA-N 1 0 230.308 -0.381 20 30 BBEDRO C=CCNC(=O)CNC(=O)C1CC[NH+](C)CC1 ZINC000347892256 534857356 /nfs/dbraw/zinc/85/73/56/534857356.db2.gz UKCQEUMQGFFYMW-UHFFFAOYSA-N 1 0 239.319 -0.253 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[N@@H+](C)CCC ZINC000347903064 534857875 /nfs/dbraw/zinc/85/78/75/534857875.db2.gz QLPDCMOLYHIBAJ-UHFFFAOYSA-N 1 0 227.308 -0.253 20 30 BBEDRO C=CCOCCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000347963028 136017606 /nfs/dbraw/zinc/01/76/06/136017606.db2.gz BYHFUWQYGOAICQ-JTQLQIEISA-N 1 0 228.292 -0.235 20 30 BBEDRO C=CCOCCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000347963030 136017893 /nfs/dbraw/zinc/01/78/93/136017893.db2.gz BYHFUWQYGOAICQ-SNVBAGLBSA-N 1 0 228.292 -0.235 20 30 BBEDRO C=CCOCCC[NH+]1CCN(CC(N)=O)CC1 ZINC000347971561 136022506 /nfs/dbraw/zinc/02/25/06/136022506.db2.gz NYPLUWCPJXOIPU-UHFFFAOYSA-N 1 0 241.335 -0.318 20 30 BBEDRO C=CCOCCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000348027706 136026866 /nfs/dbraw/zinc/02/68/66/136026866.db2.gz FPBJBDYGDXSNSG-JTQLQIEISA-N 1 0 248.348 -0.058 20 30 BBEDRO C=CCOCCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000348027710 136026945 /nfs/dbraw/zinc/02/69/45/136026945.db2.gz FPBJBDYGDXSNSG-SNVBAGLBSA-N 1 0 248.348 -0.058 20 30 BBEDRO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)C1 ZINC000348107865 536458943 /nfs/dbraw/zinc/45/89/43/536458943.db2.gz JFYRBEODIMFCHF-SECBINFHSA-N 1 0 231.321 -0.086 20 30 BBEDRO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)C1 ZINC000348107866 136036944 /nfs/dbraw/zinc/03/69/44/136036944.db2.gz JFYRBEODIMFCHF-VIFPVBQESA-N 1 0 231.321 -0.086 20 30 BBEDRO CN(CC(=O)NCC#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348178405 136043352 /nfs/dbraw/zinc/04/33/52/136043352.db2.gz CEHBLWGRLVCXFL-LLVKDONJSA-N 1 0 236.319 -0.205 20 30 BBEDRO CN(CC(=O)NCC#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348178407 136043481 /nfs/dbraw/zinc/04/34/81/136043481.db2.gz CEHBLWGRLVCXFL-NSHDSACASA-N 1 0 236.319 -0.205 20 30 BBEDRO C=CCOCCC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000348193428 136049934 /nfs/dbraw/zinc/04/99/34/136049934.db2.gz MEJOUXZLGZOGGD-AOOOYVTPSA-N 1 0 201.266 -0.384 20 30 BBEDRO C=CCOCCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000348193429 136050074 /nfs/dbraw/zinc/05/00/74/136050074.db2.gz MEJOUXZLGZOGGD-NXEZZACHSA-N 1 0 201.266 -0.384 20 30 BBEDRO C=CCOCCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000348193430 136049972 /nfs/dbraw/zinc/04/99/72/136049972.db2.gz MEJOUXZLGZOGGD-UWVGGRQHSA-N 1 0 201.266 -0.384 20 30 BBEDRO C=CCOCCC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348207140 136054643 /nfs/dbraw/zinc/05/46/43/136054643.db2.gz CFEWHMQKLVWOEN-LLVKDONJSA-N 1 0 228.292 -0.499 20 30 BBEDRO C=CCOCCC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000348207141 136054540 /nfs/dbraw/zinc/05/45/40/136054540.db2.gz CFEWHMQKLVWOEN-NSHDSACASA-N 1 0 228.292 -0.499 20 30 BBEDRO COC(=O)CN(CC#N)C(=O)C[N@H+](C)C(C)C ZINC000348797053 536465564 /nfs/dbraw/zinc/46/55/64/536465564.db2.gz IQOPUGIAPSFSFN-UHFFFAOYSA-N 1 0 241.291 -0.148 20 30 BBEDRO CC[NH+](CC)CC(=O)N(CC#N)CC(=O)OC ZINC000348801925 535488555 /nfs/dbraw/zinc/48/85/55/535488555.db2.gz LRKHCZSRAKORHX-UHFFFAOYSA-N 1 0 241.291 -0.147 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+](C)CCCCO ZINC000349915182 134611163 /nfs/dbraw/zinc/61/11/63/134611163.db2.gz UPRDWKBBHLEMQZ-UHFFFAOYSA-N 1 0 243.307 -0.298 20 30 BBEDRO C=CC[C@@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351541904 133974034 /nfs/dbraw/zinc/97/40/34/133974034.db2.gz QMAQEKOFZIPOGX-NXEZZACHSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CC[C@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351541906 133974069 /nfs/dbraw/zinc/97/40/69/133974069.db2.gz QMAQEKOFZIPOGX-UWVGGRQHSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CC[C@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351542187 356012601 /nfs/dbraw/zinc/01/26/01/356012601.db2.gz QMAQEKOFZIPOGX-VHSXEESVSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CC[C@@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351542188 356012697 /nfs/dbraw/zinc/01/26/97/356012697.db2.gz QMAQEKOFZIPOGX-ZJUUUORDSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CCC[C@@H](O)C[NH+]1CCN(CC(N)=O)CC1 ZINC000351622607 356031709 /nfs/dbraw/zinc/03/17/09/356031709.db2.gz WVBYCNBHFWCLSC-LLVKDONJSA-N 1 0 241.335 -0.584 20 30 BBEDRO C=CCC[C@H](O)C[NH+]1CCN(CC(N)=O)CC1 ZINC000351622608 356031429 /nfs/dbraw/zinc/03/14/29/356031429.db2.gz WVBYCNBHFWCLSC-NSHDSACASA-N 1 0 241.335 -0.584 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351647435 356044160 /nfs/dbraw/zinc/04/41/60/356044160.db2.gz REQPCENTPPZDFW-GXSJLCMTSA-N 1 0 228.292 -0.764 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351647439 356043880 /nfs/dbraw/zinc/04/38/80/356043880.db2.gz REQPCENTPPZDFW-KOLCDFICSA-N 1 0 228.292 -0.764 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351647441 356044432 /nfs/dbraw/zinc/04/44/32/356044432.db2.gz REQPCENTPPZDFW-MWLCHTKSSA-N 1 0 228.292 -0.764 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351647443 356044235 /nfs/dbraw/zinc/04/42/35/356044235.db2.gz REQPCENTPPZDFW-ONGXEEELSA-N 1 0 228.292 -0.764 20 30 BBEDRO C=CCC[C@@H](O)C[N@@H+](C)CC(=O)NC ZINC000351683298 356055850 /nfs/dbraw/zinc/05/58/50/356055850.db2.gz CHYBOZTUJNFZRE-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCC[C@H](O)C[N@@H+](C)CC(=O)NC ZINC000351683299 356056075 /nfs/dbraw/zinc/05/60/75/356056075.db2.gz CHYBOZTUJNFZRE-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351757858 166389476 /nfs/dbraw/zinc/38/94/76/166389476.db2.gz OGPHUGUVXXENTJ-GUBZILKMSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351757859 166388686 /nfs/dbraw/zinc/38/86/86/166388686.db2.gz OGPHUGUVXXENTJ-KXUCPTDWSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351757860 166388338 /nfs/dbraw/zinc/38/83/38/166388338.db2.gz OGPHUGUVXXENTJ-LPEHRKFASA-N 1 0 212.293 -0.010 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351757861 166388476 /nfs/dbraw/zinc/38/84/76/166388476.db2.gz OGPHUGUVXXENTJ-UTLUCORTSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351773342 366541832 /nfs/dbraw/zinc/54/18/32/366541832.db2.gz DNRIZVHEXLSUST-BDAKNGLRSA-N 1 0 241.291 -0.689 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351773343 366541777 /nfs/dbraw/zinc/54/17/77/366541777.db2.gz DNRIZVHEXLSUST-DTWKUNHWSA-N 1 0 241.291 -0.689 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351773344 366541368 /nfs/dbraw/zinc/54/13/68/366541368.db2.gz DNRIZVHEXLSUST-IUCAKERBSA-N 1 0 241.291 -0.689 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351773345 134611756 /nfs/dbraw/zinc/61/17/56/134611756.db2.gz DNRIZVHEXLSUST-RKDXNWHRSA-N 1 0 241.291 -0.689 20 30 BBEDRO C=CCC[C@@H](O)C[N@@H+](CCO)C[C@@H](C)O ZINC000351948691 134015737 /nfs/dbraw/zinc/01/57/37/134015737.db2.gz HHKPCGPAYRUGRL-GHMZBOCLSA-N 1 0 217.309 -0.011 20 30 BBEDRO C=CCC[C@H](O)C[N@@H+](CCO)C[C@@H](C)O ZINC000351948692 134016072 /nfs/dbraw/zinc/01/60/72/134016072.db2.gz HHKPCGPAYRUGRL-MNOVXSKESA-N 1 0 217.309 -0.011 20 30 BBEDRO C=CCC[C@H](O)C[N@@H+](CCO)C[C@H](C)O ZINC000351948693 134015996 /nfs/dbraw/zinc/01/59/96/134015996.db2.gz HHKPCGPAYRUGRL-QWRGUYRKSA-N 1 0 217.309 -0.011 20 30 BBEDRO C=CCC[C@@H](O)C[N@@H+](CCO)C[C@H](C)O ZINC000351948694 134015846 /nfs/dbraw/zinc/01/58/46/134015846.db2.gz HHKPCGPAYRUGRL-WDEREUQCSA-N 1 0 217.309 -0.011 20 30 BBEDRO C[C@@H]1C[C@H](C(=O)NCC#CCO)CC[N@@H+]1C ZINC000352182091 134094170 /nfs/dbraw/zinc/09/41/70/134094170.db2.gz MJRUZDIELBBKPS-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C[C@@H]1C[C@@H](C(=O)NCC#CCO)CC[N@@H+]1C ZINC000352182092 134094084 /nfs/dbraw/zinc/09/40/84/134094084.db2.gz MJRUZDIELBBKPS-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C[C@H]1C[C@@H](C(=O)NCC#CCO)CC[N@@H+]1C ZINC000352182093 134094144 /nfs/dbraw/zinc/09/41/44/134094144.db2.gz MJRUZDIELBBKPS-QWRGUYRKSA-N 1 0 224.304 -0.171 20 30 BBEDRO C[C@H]1C[C@H](C(=O)NCC#CCO)CC[N@@H+]1C ZINC000352182094 134094371 /nfs/dbraw/zinc/09/43/71/134094371.db2.gz MJRUZDIELBBKPS-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC#CCO)C1 ZINC000352186448 134099241 /nfs/dbraw/zinc/09/92/41/134099241.db2.gz MBGVKXUHURXOSS-LLVKDONJSA-N 1 0 240.303 -0.793 20 30 BBEDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC#CCO)C1 ZINC000352186449 134099186 /nfs/dbraw/zinc/09/91/86/134099186.db2.gz MBGVKXUHURXOSS-NSHDSACASA-N 1 0 240.303 -0.793 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+](CC)C[C@@H](C)O ZINC000352186524 134099474 /nfs/dbraw/zinc/09/94/74/134099474.db2.gz MNWBJLWZMPXETL-SECBINFHSA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+](CC)C[C@H](C)O ZINC000352186525 134099195 /nfs/dbraw/zinc/09/91/95/134099195.db2.gz MNWBJLWZMPXETL-VIFPVBQESA-N 1 0 243.307 -0.299 20 30 BBEDRO COC1CC([N@H+](C)CC(=O)NCC#N)C1 ZINC000352223123 134108190 /nfs/dbraw/zinc/10/81/90/134108190.db2.gz UKLRRAIXGADRAV-UHFFFAOYSA-N 1 0 211.265 -0.265 20 30 BBEDRO C=CCNC(=O)C[N@H+](CC)C[C@@H](C)O ZINC000352230502 134111030 /nfs/dbraw/zinc/11/10/30/134111030.db2.gz LCSJNWXRNSKHFD-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@H+](CC)C[C@H](C)O ZINC000352230503 134111203 /nfs/dbraw/zinc/11/12/03/134111203.db2.gz LCSJNWXRNSKHFD-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO N#CC1(F)CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000352458303 134145971 /nfs/dbraw/zinc/14/59/71/134145971.db2.gz IVTJKIOWELXOJI-UHFFFAOYSA-N 1 0 242.254 -0.101 20 30 BBEDRO N#CCNC(=O)C[N@H+](CCO)CC1CC1 ZINC000352466341 136263877 /nfs/dbraw/zinc/26/38/77/136263877.db2.gz BVULVWNUOCFAQY-UHFFFAOYSA-N 1 0 211.265 -0.670 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)[C@@H]1CCC[C@@H]1O ZINC000352660946 398323122 /nfs/dbraw/zinc/32/31/22/398323122.db2.gz UTFJUAHUUZUBKT-BDAKNGLRSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)[C@H]1CCC[C@H]1O ZINC000352660947 398323319 /nfs/dbraw/zinc/32/33/19/398323319.db2.gz UTFJUAHUUZUBKT-DTWKUNHWSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)[C@H]1CCC[C@@H]1O ZINC000352660948 398323417 /nfs/dbraw/zinc/32/34/17/398323417.db2.gz UTFJUAHUUZUBKT-IUCAKERBSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)[C@@H]1CCC[C@H]1O ZINC000352660949 398323255 /nfs/dbraw/zinc/32/32/55/398323255.db2.gz UTFJUAHUUZUBKT-RKDXNWHRSA-N 1 0 211.265 -0.529 20 30 BBEDRO CC[N@@H+]1CCN(CC(=O)NCC#N)[C@@H](C)C1 ZINC000352671492 356401526 /nfs/dbraw/zinc/40/15/26/356401526.db2.gz IXIFKQMNTCRCCB-JTQLQIEISA-N 1 0 224.308 -0.348 20 30 BBEDRO CC[N@@H+]1CCN(CC(=O)NCC#N)[C@H](C)C1 ZINC000352671493 356402074 /nfs/dbraw/zinc/40/20/74/356402074.db2.gz IXIFKQMNTCRCCB-SNVBAGLBSA-N 1 0 224.308 -0.348 20 30 BBEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)NCC#N ZINC000352678053 136264404 /nfs/dbraw/zinc/26/44/04/136264404.db2.gz WXPRAZOUAOCBAJ-CXWACVEQSA-N 1 0 249.314 -0.019 20 30 BBEDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)NCC#N)[C@H]1[C@H]3C2 ZINC000352678054 136264352 /nfs/dbraw/zinc/26/43/52/136264352.db2.gz WXPRAZOUAOCBAJ-ZIIUWJBSSA-N 1 0 249.314 -0.019 20 30 BBEDRO C[N@@H+]1CC[C@@H](Cn2c(N)nc(C#N)c2C#N)C1 ZINC000352930412 411895180 /nfs/dbraw/zinc/89/51/80/411895180.db2.gz LXQMAOMYRXXJCZ-MRVPVSSYSA-N 1 0 230.275 0.160 20 30 BBEDRO C[N@@H+]1CC[C@H](Cn2c(N)nc(C#N)c2C#N)C1 ZINC000352930413 411897153 /nfs/dbraw/zinc/89/71/53/411897153.db2.gz LXQMAOMYRXXJCZ-QMMMGPOBSA-N 1 0 230.275 0.160 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@H+](C)CCC(N)=O ZINC000353164409 366782861 /nfs/dbraw/zinc/78/28/61/366782861.db2.gz GNPWEGZOISBSGK-UHFFFAOYSA-N 1 0 240.307 -0.444 20 30 BBEDRO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCC(N)=O ZINC000353173074 134162448 /nfs/dbraw/zinc/16/24/48/134162448.db2.gz OCHPXHMLRPLMIW-SECBINFHSA-N 1 0 240.307 -0.446 20 30 BBEDRO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCC(N)=O ZINC000353173076 134162229 /nfs/dbraw/zinc/16/22/29/134162229.db2.gz OCHPXHMLRPLMIW-VIFPVBQESA-N 1 0 240.307 -0.446 20 30 BBEDRO C[N@H+](CCC(N)=O)CC(=O)NC1(C#N)CCC1 ZINC000353177148 136284202 /nfs/dbraw/zinc/28/42/02/136284202.db2.gz VMVNOYLEJAWJFO-UHFFFAOYSA-N 1 0 238.291 -0.644 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)OC ZINC000353200120 136286894 /nfs/dbraw/zinc/28/68/94/136286894.db2.gz AYJCHTSWCRSJAE-SECBINFHSA-N 1 0 243.307 -0.035 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)OC ZINC000353200121 136286927 /nfs/dbraw/zinc/28/69/27/136286927.db2.gz AYJCHTSWCRSJAE-VIFPVBQESA-N 1 0 243.307 -0.035 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])CCSC ZINC000353322496 366785083 /nfs/dbraw/zinc/78/50/83/366785083.db2.gz CELYUGHAMIUXMD-MRVPVSSYSA-N 1 0 245.348 -0.515 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])CCSC ZINC000353322497 366785577 /nfs/dbraw/zinc/78/55/77/366785577.db2.gz CELYUGHAMIUXMD-QMMMGPOBSA-N 1 0 245.348 -0.515 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])CC(C)C ZINC000353328750 366785591 /nfs/dbraw/zinc/78/55/91/366785591.db2.gz PWEMWCSBTSYFRF-SECBINFHSA-N 1 0 227.308 -0.222 20 30 BBEDRO Cn1ncc(C(=O)NCCC[NH+](C)C)c1C#N ZINC000353339357 387779327 /nfs/dbraw/zinc/77/93/27/387779327.db2.gz WTFMLNIYWKHQKV-UHFFFAOYSA-N 1 0 235.291 -0.027 20 30 BBEDRO Cn1ncc(C(=O)NCC[NH+](C)C)c1C#N ZINC000353343252 387778897 /nfs/dbraw/zinc/77/88/97/387778897.db2.gz JLQIDRQADJVYER-UHFFFAOYSA-N 1 0 221.264 -0.417 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@H+](CC)CCOC ZINC000353458384 134164109 /nfs/dbraw/zinc/16/41/09/134164109.db2.gz CORMDZODVIKGNL-UHFFFAOYSA-N 1 0 243.307 -0.034 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)CC1(O)CCC1 ZINC000353489861 134163888 /nfs/dbraw/zinc/16/38/88/134163888.db2.gz PUVTWSYHPJTCEU-UHFFFAOYSA-N 1 0 211.265 -0.527 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](CC)Cn1cncn1 ZINC000353680055 136265610 /nfs/dbraw/zinc/26/56/10/136265610.db2.gz QVVFOIYFXZXJQE-JTQLQIEISA-N 1 0 237.307 -0.052 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](CC)Cn1cncn1 ZINC000353680057 534859854 /nfs/dbraw/zinc/85/98/54/534859854.db2.gz QVVFOIYFXZXJQE-SNVBAGLBSA-N 1 0 237.307 -0.052 20 30 BBEDRO C=CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000353759317 534814856 /nfs/dbraw/zinc/81/48/56/534814856.db2.gz NAOUWJSXDXVPRH-DTWKUNHWSA-N 1 0 246.332 -0.465 20 30 BBEDRO C=CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000353759318 534814716 /nfs/dbraw/zinc/81/47/16/534814716.db2.gz NAOUWJSXDXVPRH-IUCAKERBSA-N 1 0 246.332 -0.465 20 30 BBEDRO CC#CCCNC(=O)[C@H]1CN(C)CCO1 ZINC000353944933 134165613 /nfs/dbraw/zinc/16/56/13/134165613.db2.gz XXCCJOFWIJWKFO-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C=CCOCC(=O)NCCN1CC[NH+](C)CC1 ZINC000354288438 134167599 /nfs/dbraw/zinc/16/75/99/134167599.db2.gz DDLCANAJHJPRKG-UHFFFAOYSA-N 1 0 241.335 -0.447 20 30 BBEDRO C[C@H](CNC(=O)c1cnn(C)c1C#N)[NH+](C)C ZINC000354436835 387119004 /nfs/dbraw/zinc/11/90/04/387119004.db2.gz WKYJFNCEUWPVGM-MRVPVSSYSA-N 1 0 235.291 -0.028 20 30 BBEDRO C[C@@H](CNC(=O)c1cnn(C)c1C#N)[NH+](C)C ZINC000354436852 387117246 /nfs/dbraw/zinc/11/72/46/387117246.db2.gz WKYJFNCEUWPVGM-QMMMGPOBSA-N 1 0 235.291 -0.028 20 30 BBEDRO C=CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354692312 134169697 /nfs/dbraw/zinc/16/96/97/134169697.db2.gz NDQVARUXHFXFTN-SECBINFHSA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354692313 134169706 /nfs/dbraw/zinc/16/97/06/134169706.db2.gz NDQVARUXHFXFTN-VIFPVBQESA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCOCC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000354720928 136265916 /nfs/dbraw/zinc/26/59/16/136265916.db2.gz ZEJGWQDAMIQBKU-UHFFFAOYSA-N 1 0 242.319 -0.238 20 30 BBEDRO Cn1ncc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1C#N ZINC000354775003 173146605 /nfs/dbraw/zinc/14/66/05/173146605.db2.gz BHDQNQMOFYBZLD-SECBINFHSA-N 1 0 247.302 -0.027 20 30 BBEDRO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1C#N ZINC000354775004 173114533 /nfs/dbraw/zinc/11/45/33/173114533.db2.gz BHDQNQMOFYBZLD-VIFPVBQESA-N 1 0 247.302 -0.027 20 30 BBEDRO CCC[N@H+](C)CC(=O)N(CC#N)CC(=O)OC ZINC000355586346 134173932 /nfs/dbraw/zinc/17/39/32/134173932.db2.gz ONBVSKKTMPGERU-UHFFFAOYSA-N 1 0 241.291 -0.147 20 30 BBEDRO C=CCOCC(=O)NCC[N@@H+](C)CCOC ZINC000355624594 534869625 /nfs/dbraw/zinc/86/96/25/534869625.db2.gz GEJFUQXIHJNNQD-UHFFFAOYSA-N 1 0 230.308 -0.117 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000355804300 534626305 /nfs/dbraw/zinc/62/63/05/534626305.db2.gz JPCRHSJNZOPXSN-NEPJUHHUSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@](C)(O)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000355804304 134174974 /nfs/dbraw/zinc/17/49/74/134174974.db2.gz JPCRHSJNZOPXSN-NWDGAFQWSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000355804306 134174957 /nfs/dbraw/zinc/17/49/57/134174957.db2.gz JPCRHSJNZOPXSN-RYUDHWBXSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000355804308 534628022 /nfs/dbraw/zinc/62/80/22/534628022.db2.gz JPCRHSJNZOPXSN-VXGBXAGGSA-N 1 0 242.319 -0.504 20 30 BBEDRO CC[N@H+](C)CCNC(=O)c1cnn(C)c1C#N ZINC000356118992 398288979 /nfs/dbraw/zinc/28/89/79/398288979.db2.gz ZKBCAJKFAXCCSM-UHFFFAOYSA-N 1 0 235.291 -0.027 20 30 BBEDRO CN(CC[NH+](C)C)C(=O)c1cnn(C)c1C#N ZINC000356277372 172451079 /nfs/dbraw/zinc/45/10/79/172451079.db2.gz KREVCHLMILCIET-UHFFFAOYSA-N 1 0 235.291 -0.075 20 30 BBEDRO Cn1ncc(C(=O)N2CC([NH+](C)C)C2)c1C#N ZINC000356639017 388608929 /nfs/dbraw/zinc/60/89/29/388608929.db2.gz VFSZXMRBEMHINY-UHFFFAOYSA-N 1 0 233.275 -0.322 20 30 BBEDRO C=C[C@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000356841851 134179794 /nfs/dbraw/zinc/17/97/94/134179794.db2.gz VGUJUEHTAONXKY-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000356841854 534519946 /nfs/dbraw/zinc/51/99/46/534519946.db2.gz VGUJUEHTAONXKY-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000356859597 134180635 /nfs/dbraw/zinc/18/06/35/134180635.db2.gz WCVUAHDHSPNCNL-GHMZBOCLSA-N 1 0 239.319 -0.961 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000356859599 534680456 /nfs/dbraw/zinc/68/04/56/534680456.db2.gz WCVUAHDHSPNCNL-MNOVXSKESA-N 1 0 239.319 -0.961 20 30 BBEDRO C=C[C@@H](CO)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000356859604 534531070 /nfs/dbraw/zinc/53/10/70/534531070.db2.gz WCVUAHDHSPNCNL-QWRGUYRKSA-N 1 0 239.319 -0.961 20 30 BBEDRO C=C[C@@H](CO)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000356859609 534532724 /nfs/dbraw/zinc/53/27/24/534532724.db2.gz WCVUAHDHSPNCNL-WDEREUQCSA-N 1 0 239.319 -0.961 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000356870161 134180847 /nfs/dbraw/zinc/18/08/47/134180847.db2.gz FONJHBGYERDNAK-GHMZBOCLSA-N 1 0 242.319 -0.241 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000356870162 534681065 /nfs/dbraw/zinc/68/10/65/534681065.db2.gz FONJHBGYERDNAK-MNOVXSKESA-N 1 0 242.319 -0.241 20 30 BBEDRO C=C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000356870163 534531475 /nfs/dbraw/zinc/53/14/75/534531475.db2.gz FONJHBGYERDNAK-QWRGUYRKSA-N 1 0 242.319 -0.241 20 30 BBEDRO C=C[C@@H](CO)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000356870164 534532772 /nfs/dbraw/zinc/53/27/72/534532772.db2.gz FONJHBGYERDNAK-WDEREUQCSA-N 1 0 242.319 -0.241 20 30 BBEDRO C=C[C@H](CO)NC(=O)CN1CC[NH+](CC)CC1 ZINC000356870520 136208379 /nfs/dbraw/zinc/20/83/79/136208379.db2.gz GPOAIFKBRCAHQT-LLVKDONJSA-N 1 0 241.335 -0.713 20 30 BBEDRO C=C[C@@H](CO)NC(=O)CN1CC[NH+](CC)CC1 ZINC000356870526 534519972 /nfs/dbraw/zinc/51/99/72/534519972.db2.gz GPOAIFKBRCAHQT-NSHDSACASA-N 1 0 241.335 -0.713 20 30 BBEDRO CC[N@H+](CC(=O)N1CC(O)(CC#N)C1)C1CC1 ZINC000356879091 134180997 /nfs/dbraw/zinc/18/09/97/134180997.db2.gz HRMHKBBMBSNVOE-UHFFFAOYSA-N 1 0 237.303 -0.042 20 30 BBEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)NCC#N ZINC000357043029 136208439 /nfs/dbraw/zinc/20/84/39/136208439.db2.gz SIAPJWUZCRHXOZ-NXEZZACHSA-N 1 0 224.308 -0.349 20 30 BBEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)NCC#N ZINC000357043031 136208545 /nfs/dbraw/zinc/20/85/45/136208545.db2.gz SIAPJWUZCRHXOZ-UWVGGRQHSA-N 1 0 224.308 -0.349 20 30 BBEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)NCC#N ZINC000357043035 136208532 /nfs/dbraw/zinc/20/85/32/136208532.db2.gz SIAPJWUZCRHXOZ-VHSXEESVSA-N 1 0 224.308 -0.349 20 30 BBEDRO C[C@@H]1[C@H](C)N(CC(=O)NCC#N)CC[N@H+]1C ZINC000357043036 136208535 /nfs/dbraw/zinc/20/85/35/136208535.db2.gz SIAPJWUZCRHXOZ-ZJUUUORDSA-N 1 0 224.308 -0.349 20 30 BBEDRO N#CCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000357115434 134182290 /nfs/dbraw/zinc/18/22/90/134182290.db2.gz LDTUJWZEFYUUKL-JTQLQIEISA-N 1 0 225.292 -0.137 20 30 BBEDRO N#CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000357115436 134181866 /nfs/dbraw/zinc/18/18/66/134181866.db2.gz LDTUJWZEFYUUKL-SNVBAGLBSA-N 1 0 225.292 -0.137 20 30 BBEDRO CC[NH+]1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC000357503125 535701267 /nfs/dbraw/zinc/70/12/67/535701267.db2.gz SOHVJPMCUMQZLX-LLVKDONJSA-N 1 0 238.335 -0.100 20 30 BBEDRO CC[NH+]1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC000357503126 535699969 /nfs/dbraw/zinc/69/99/69/535699969.db2.gz SOHVJPMCUMQZLX-NSHDSACASA-N 1 0 238.335 -0.100 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C#N)C1 ZINC000358046033 536475175 /nfs/dbraw/zinc/47/51/75/536475175.db2.gz KCSWNKIIPBFDKB-LLVKDONJSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)C#N)C1 ZINC000358046038 134186721 /nfs/dbraw/zinc/18/67/21/134186721.db2.gz KCSWNKIIPBFDKB-NSHDSACASA-N 1 0 225.292 -0.281 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000358054274 173138513 /nfs/dbraw/zinc/13/85/13/173138513.db2.gz KGWCTUXIQYNEEA-GFCCVEGCSA-N 1 0 248.286 -0.317 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000358054275 173165978 /nfs/dbraw/zinc/16/59/78/173165978.db2.gz KGWCTUXIQYNEEA-LBPRGKRZSA-N 1 0 248.286 -0.317 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C#N)CCC2)C1 ZINC000358059474 536475772 /nfs/dbraw/zinc/47/57/72/536475772.db2.gz DLCARUSMZCLCFP-GFCCVEGCSA-N 1 0 237.303 -0.137 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)C2(C#N)CCC2)C1 ZINC000358059482 134186662 /nfs/dbraw/zinc/18/66/62/134186662.db2.gz DLCARUSMZCLCFP-LBPRGKRZSA-N 1 0 237.303 -0.137 20 30 BBEDRO C=CCOCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358074856 134187036 /nfs/dbraw/zinc/18/70/36/134187036.db2.gz RVHMZYLKXZLQGU-LLVKDONJSA-N 1 0 228.292 -0.628 20 30 BBEDRO C=CCOCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358074858 134186845 /nfs/dbraw/zinc/18/68/45/134186845.db2.gz RVHMZYLKXZLQGU-NSHDSACASA-N 1 0 228.292 -0.628 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000358080824 173139351 /nfs/dbraw/zinc/13/93/51/173139351.db2.gz QFRQRBGMIWUZMB-GFCCVEGCSA-N 1 0 248.286 -0.317 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000358080827 173164612 /nfs/dbraw/zinc/16/46/12/173164612.db2.gz QFRQRBGMIWUZMB-LBPRGKRZSA-N 1 0 248.286 -0.317 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000358083789 173139628 /nfs/dbraw/zinc/13/96/28/173139628.db2.gz WEFNZBWJLHYPNS-GFCCVEGCSA-N 1 0 248.286 -0.317 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000358083791 173165236 /nfs/dbraw/zinc/16/52/36/173165236.db2.gz WEFNZBWJLHYPNS-LBPRGKRZSA-N 1 0 248.286 -0.317 20 30 BBEDRO C=CCCS(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358183554 134187189 /nfs/dbraw/zinc/18/71/89/134187189.db2.gz HPKUSISKYWTTRA-JTQLQIEISA-N 1 0 248.348 -0.452 20 30 BBEDRO C=CCCS(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358183555 134187216 /nfs/dbraw/zinc/18/72/16/134187216.db2.gz HPKUSISKYWTTRA-SNVBAGLBSA-N 1 0 248.348 -0.452 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2ccc(C#N)cn2)C1 ZINC000358330486 412255978 /nfs/dbraw/zinc/25/59/78/412255978.db2.gz CKUFOQQUMHSLEU-GFCCVEGCSA-N 1 0 232.287 0.432 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2ccc(C#N)cn2)C1 ZINC000358330487 412258253 /nfs/dbraw/zinc/25/82/53/412258253.db2.gz CKUFOQQUMHSLEU-LBPRGKRZSA-N 1 0 232.287 0.432 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2nccnc2C#N)C1 ZINC000358332097 173140148 /nfs/dbraw/zinc/14/01/48/173140148.db2.gz DVDIUXWKWQOGAK-LLVKDONJSA-N 1 0 233.275 -0.173 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2nccnc2C#N)C1 ZINC000358332098 173165048 /nfs/dbraw/zinc/16/50/48/173165048.db2.gz DVDIUXWKWQOGAK-NSHDSACASA-N 1 0 233.275 -0.173 20 30 BBEDRO C=CCNC(=O)CNC(=O)N[C@H](C)C[NH+](C)C ZINC000358530562 534858740 /nfs/dbraw/zinc/85/87/40/534858740.db2.gz RMXYHZIZLLITSH-SECBINFHSA-N 1 0 242.323 -0.462 20 30 BBEDRO C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@H](C#N)C1 ZINC000358535762 134190124 /nfs/dbraw/zinc/19/01/24/134190124.db2.gz XWSDPQFPSKSFRV-NXEZZACHSA-N 1 0 240.307 -0.130 20 30 BBEDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000358535766 134190330 /nfs/dbraw/zinc/19/03/30/134190330.db2.gz XWSDPQFPSKSFRV-UWVGGRQHSA-N 1 0 240.307 -0.130 20 30 BBEDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@H](C#N)C1 ZINC000358535773 134190297 /nfs/dbraw/zinc/19/02/97/134190297.db2.gz XWSDPQFPSKSFRV-VHSXEESVSA-N 1 0 240.307 -0.130 20 30 BBEDRO C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000358535774 134190263 /nfs/dbraw/zinc/19/02/63/134190263.db2.gz XWSDPQFPSKSFRV-ZJUUUORDSA-N 1 0 240.307 -0.130 20 30 BBEDRO C[NH+](C)CCn1ccc(NC(=O)CC#N)n1 ZINC000358596456 412167923 /nfs/dbraw/zinc/16/79/23/412167923.db2.gz FITIADIJEJRDPR-UHFFFAOYSA-N 1 0 221.264 0.297 20 30 BBEDRO COCCC[N@H+](C)CCNC(=O)CC#N ZINC000358622645 536499577 /nfs/dbraw/zinc/49/95/77/536499577.db2.gz BUASWURSXFJLJD-UHFFFAOYSA-N 1 0 213.281 -0.015 20 30 BBEDRO COCCN(CC[NH+](C)C)C(=O)CC#N ZINC000358633484 134191479 /nfs/dbraw/zinc/19/14/79/134191479.db2.gz QCIKUOBMWNEWGR-UHFFFAOYSA-N 1 0 213.281 -0.063 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCCC#N)C1 ZINC000358650781 344690218 /nfs/dbraw/zinc/69/02/18/344690218.db2.gz QKEYYSXEBDJITC-LLVKDONJSA-N 1 0 240.307 -0.344 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCCC#N)C1 ZINC000358650787 344690277 /nfs/dbraw/zinc/69/02/77/344690277.db2.gz QKEYYSXEBDJITC-NSHDSACASA-N 1 0 240.307 -0.344 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000358688299 366879763 /nfs/dbraw/zinc/87/97/63/366879763.db2.gz JHULLOPTANMWKP-NXEZZACHSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000358688301 135542460 /nfs/dbraw/zinc/54/24/60/135542460.db2.gz JHULLOPTANMWKP-UWVGGRQHSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000358688302 366878900 /nfs/dbraw/zinc/87/89/00/366878900.db2.gz JHULLOPTANMWKP-VHSXEESVSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000358688305 366878891 /nfs/dbraw/zinc/87/88/91/366878891.db2.gz JHULLOPTANMWKP-ZJUUUORDSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=C[C@@H](CO)NC(=O)NCCOCC[NH+](C)C ZINC000359145333 534523913 /nfs/dbraw/zinc/52/39/13/534523913.db2.gz QFTLTKZSKLZBKV-JTQLQIEISA-N 1 0 245.323 -0.589 20 30 BBEDRO C=C[C@H](CO)NC(=O)NCCOCC[NH+](C)C ZINC000359145335 134193936 /nfs/dbraw/zinc/19/39/36/134193936.db2.gz QFTLTKZSKLZBKV-SNVBAGLBSA-N 1 0 245.323 -0.589 20 30 BBEDRO CC#CCNC(=O)NCCOCC[NH+](C)C ZINC000359146255 134193959 /nfs/dbraw/zinc/19/39/59/134193959.db2.gz RDCNZZPZVNQWJJ-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO CC[NH2+][C@H](C)CNS(=O)(=O)N(C)CCC#N ZINC000359300756 134194298 /nfs/dbraw/zinc/19/42/98/134194298.db2.gz HEQCOIIKNFVOJK-SECBINFHSA-N 1 0 248.352 -0.336 20 30 BBEDRO CC[NH2+][C@@H](C)CNS(=O)(=O)N(C)CCC#N ZINC000359300760 134194381 /nfs/dbraw/zinc/19/43/81/134194381.db2.gz HEQCOIIKNFVOJK-VIFPVBQESA-N 1 0 248.352 -0.336 20 30 BBEDRO C=C[C@@H](CO)NC(=O)N[C@H](C)C[NH+](C)C ZINC000359659065 534527818 /nfs/dbraw/zinc/52/78/18/534527818.db2.gz OHZPHTIZHNZMKC-BDAKNGLRSA-N 1 0 215.297 -0.217 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@H](C)C[NH+](C)C ZINC000359659066 534679324 /nfs/dbraw/zinc/67/93/24/534679324.db2.gz OHZPHTIZHNZMKC-RKDXNWHRSA-N 1 0 215.297 -0.217 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000359855367 534859131 /nfs/dbraw/zinc/85/91/31/534859131.db2.gz BFYGAJMVTYXQMQ-LLVKDONJSA-N 1 0 242.319 -0.334 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000359855368 136267515 /nfs/dbraw/zinc/26/75/15/136267515.db2.gz BFYGAJMVTYXQMQ-NSHDSACASA-N 1 0 242.319 -0.334 20 30 BBEDRO CC[NH+]1CCN(CC(=O)N(CC#N)CC#N)CC1 ZINC000360091290 134198694 /nfs/dbraw/zinc/19/86/94/134198694.db2.gz VLXCZMVQHYRPOY-UHFFFAOYSA-N 1 0 249.318 -0.500 20 30 BBEDRO CCN(CC#N)C(=O)CN1CC[NH+](CC)CC1 ZINC000360091512 134198820 /nfs/dbraw/zinc/19/88/20/134198820.db2.gz WRFQJIKAHFNEFQ-UHFFFAOYSA-N 1 0 238.335 -0.004 20 30 BBEDRO CC[NH+]1CCN(CCC(=O)N(C)CC#N)CC1 ZINC000360097581 134198749 /nfs/dbraw/zinc/19/87/49/134198749.db2.gz KISPSDFIVZBHDL-UHFFFAOYSA-N 1 0 238.335 -0.004 20 30 BBEDRO CC[NH+]1CCN(CC(=O)N(C)CC#N)CC1 ZINC000360098913 535650115 /nfs/dbraw/zinc/65/01/15/535650115.db2.gz QQLSPJXMLYGVQV-UHFFFAOYSA-N 1 0 224.308 -0.394 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCCC#N)C1 ZINC000360652367 536475068 /nfs/dbraw/zinc/47/50/68/536475068.db2.gz LGPKTUFLSFRIOG-LLVKDONJSA-N 1 0 225.292 -0.137 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)CCCC#N)C1 ZINC000360652368 134201871 /nfs/dbraw/zinc/20/18/71/134201871.db2.gz LGPKTUFLSFRIOG-NSHDSACASA-N 1 0 225.292 -0.137 20 30 BBEDRO C=CCOC[C@@H](NC(=O)C[NH+](C)C)C(=O)OC ZINC000360748789 134202063 /nfs/dbraw/zinc/20/20/63/134202063.db2.gz XUKJOMDRMXZHHS-SECBINFHSA-N 1 0 244.291 -0.592 20 30 BBEDRO C=CCOC[C@H](NC(=O)C[NH+](C)C)C(=O)OC ZINC000360748793 134202338 /nfs/dbraw/zinc/20/23/38/134202338.db2.gz XUKJOMDRMXZHHS-VIFPVBQESA-N 1 0 244.291 -0.592 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2cnc(C#N)cn2)C1 ZINC000360965570 173139714 /nfs/dbraw/zinc/13/97/14/173139714.db2.gz HSJIPFUKIBVAPI-LLVKDONJSA-N 1 0 233.275 -0.173 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2cnc(C#N)cn2)C1 ZINC000360965571 173163992 /nfs/dbraw/zinc/16/39/92/173163992.db2.gz HSJIPFUKIBVAPI-NSHDSACASA-N 1 0 233.275 -0.173 20 30 BBEDRO COCC[N@H+](C)CCCNC(=O)CC#N ZINC000360975915 134202967 /nfs/dbraw/zinc/20/29/67/134202967.db2.gz SQARCYMHLBOIQT-UHFFFAOYSA-N 1 0 213.281 -0.015 20 30 BBEDRO C=CC[N@@H+](CCOC)[C@@H]1COC[C@H]1O ZINC000361373643 534836807 /nfs/dbraw/zinc/83/68/07/534836807.db2.gz CVVRBSZGRAPRNW-NXEZZACHSA-N 1 0 201.266 -0.120 20 30 BBEDRO C=CC[N@@H+](CCOC)[C@H]1COC[C@@H]1O ZINC000361373644 534836083 /nfs/dbraw/zinc/83/60/83/534836083.db2.gz CVVRBSZGRAPRNW-UWVGGRQHSA-N 1 0 201.266 -0.120 20 30 BBEDRO C=CC[N@@H+](CCOC)[C@H]1COC[C@H]1O ZINC000361373645 534836512 /nfs/dbraw/zinc/83/65/12/534836512.db2.gz CVVRBSZGRAPRNW-VHSXEESVSA-N 1 0 201.266 -0.120 20 30 BBEDRO C=CC[N@@H+](CCOC)[C@@H]1COC[C@@H]1O ZINC000361373646 534837044 /nfs/dbraw/zinc/83/70/44/534837044.db2.gz CVVRBSZGRAPRNW-ZJUUUORDSA-N 1 0 201.266 -0.120 20 30 BBEDRO C[C@@H](O)C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000361507231 134205843 /nfs/dbraw/zinc/20/58/43/134205843.db2.gz RBOKIZOCIZCYMP-SECBINFHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@H](O)C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000361507232 134205825 /nfs/dbraw/zinc/20/58/25/134205825.db2.gz RBOKIZOCIZCYMP-VIFPVBQESA-N 1 0 225.292 -0.139 20 30 BBEDRO CC[N@@H+](CC(=O)NCC#N)C[C@@H](C)OC ZINC000361567487 387495814 /nfs/dbraw/zinc/49/58/14/387495814.db2.gz WVTYAASLKIQOAZ-SECBINFHSA-N 1 0 213.281 -0.017 20 30 BBEDRO CC[N@@H+](CC(=O)NCC#N)C[C@H](C)OC ZINC000361567488 387495488 /nfs/dbraw/zinc/49/54/88/387495488.db2.gz WVTYAASLKIQOAZ-VIFPVBQESA-N 1 0 213.281 -0.017 20 30 BBEDRO Cn1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1C#N ZINC000361581321 398294042 /nfs/dbraw/zinc/29/40/42/398294042.db2.gz GJDXIRHJSIMQGG-NEPJUHHUSA-N 1 0 235.287 -0.176 20 30 BBEDRO Cn1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1C#N ZINC000361581323 398294100 /nfs/dbraw/zinc/29/41/00/398294100.db2.gz GJDXIRHJSIMQGG-NWDGAFQWSA-N 1 0 235.287 -0.176 20 30 BBEDRO Cn1cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1C#N ZINC000361581324 398294284 /nfs/dbraw/zinc/29/42/84/398294284.db2.gz GJDXIRHJSIMQGG-VXGBXAGGSA-N 1 0 235.287 -0.176 20 30 BBEDRO CC[N@H+](CC(=O)NCC#N)[C@@H]1CCOC1 ZINC000361593346 136268703 /nfs/dbraw/zinc/26/87/03/136268703.db2.gz ZDPNDVMVRNGCDR-SECBINFHSA-N 1 0 211.265 -0.263 20 30 BBEDRO CC[N@H+](CC(=O)NCC#N)[C@H]1CCOC1 ZINC000361593347 136268589 /nfs/dbraw/zinc/26/85/89/136268589.db2.gz ZDPNDVMVRNGCDR-VIFPVBQESA-N 1 0 211.265 -0.263 20 30 BBEDRO CC#CCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000361646567 534702122 /nfs/dbraw/zinc/70/21/22/534702122.db2.gz HOEFJZAFRBDKBS-GFCCVEGCSA-N 1 0 239.319 -0.234 20 30 BBEDRO CC#CCCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000361646583 134206790 /nfs/dbraw/zinc/20/67/90/134206790.db2.gz HOEFJZAFRBDKBS-LBPRGKRZSA-N 1 0 239.319 -0.234 20 30 BBEDRO N#CCCC[N@@H+](CCO)CCN1CCOCC1 ZINC000361838800 134208022 /nfs/dbraw/zinc/20/80/22/134208022.db2.gz VMUYEKYHABNWLQ-UHFFFAOYSA-N 1 0 241.335 -0.083 20 30 BBEDRO COC(=O)CN(CC#N)C(=O)C[NH+](C)C ZINC000361980597 536465729 /nfs/dbraw/zinc/46/57/29/536465729.db2.gz BVXDYYKFRYPNCQ-UHFFFAOYSA-N 1 0 213.237 -0.927 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362072571 166368978 /nfs/dbraw/zinc/36/89/78/166368978.db2.gz ORLNIRWYZZWHLC-NXEZZACHSA-N 1 0 212.293 -0.151 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362072572 166367640 /nfs/dbraw/zinc/36/76/40/166367640.db2.gz ORLNIRWYZZWHLC-UWVGGRQHSA-N 1 0 212.293 -0.151 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362072573 166367683 /nfs/dbraw/zinc/36/76/83/166367683.db2.gz ORLNIRWYZZWHLC-VHSXEESVSA-N 1 0 212.293 -0.151 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CO)C(C)C ZINC000362190480 534861717 /nfs/dbraw/zinc/86/17/17/534861717.db2.gz MWGYHMZLFJLTER-VIFPVBQESA-N 1 0 243.307 -0.395 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC000362793849 134214390 /nfs/dbraw/zinc/21/43/90/134214390.db2.gz JRRSCUKRFLKZNM-GMTAPVOTSA-N 1 0 237.303 -0.065 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC000362793850 134214362 /nfs/dbraw/zinc/21/43/62/134214362.db2.gz JRRSCUKRFLKZNM-MXWKQRLJSA-N 1 0 237.303 -0.065 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC000362793851 134214286 /nfs/dbraw/zinc/21/42/86/134214286.db2.gz JRRSCUKRFLKZNM-OUAUKWLOSA-N 1 0 237.303 -0.065 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC000362793852 134214216 /nfs/dbraw/zinc/21/42/16/134214216.db2.gz JRRSCUKRFLKZNM-VWYCJHECSA-N 1 0 237.303 -0.065 20 30 BBEDRO C#CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000363145357 533205319 /nfs/dbraw/zinc/20/53/19/533205319.db2.gz MOFVUTMYUVZWJE-NEPJUHHUSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CC[C@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000363145358 134215294 /nfs/dbraw/zinc/21/52/94/134215294.db2.gz MOFVUTMYUVZWJE-NWDGAFQWSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CC[C@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000363145359 533210971 /nfs/dbraw/zinc/21/09/71/533210971.db2.gz MOFVUTMYUVZWJE-RYUDHWBXSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CC[C@@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000363145360 533207219 /nfs/dbraw/zinc/20/72/19/533207219.db2.gz MOFVUTMYUVZWJE-VXGBXAGGSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCC[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000363479409 384505036 /nfs/dbraw/zinc/50/50/36/384505036.db2.gz HLDFPEHUAJMXGR-UHFFFAOYSA-N 1 0 231.321 -0.779 20 30 BBEDRO C#CCC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000363822619 136219148 /nfs/dbraw/zinc/21/91/48/136219148.db2.gz LKDFSKOYCXEEDS-UHFFFAOYSA-N 1 0 230.333 -0.023 20 30 BBEDRO C=CC[N@H+]1CCCN(CC(=O)NC)CC1 ZINC000364026024 384866694 /nfs/dbraw/zinc/86/66/94/384866694.db2.gz QLBJENXCIZELMK-UHFFFAOYSA-N 1 0 211.309 -0.074 20 30 BBEDRO C#CCN1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000364043473 347244473 /nfs/dbraw/zinc/24/44/73/347244473.db2.gz USKGOTYWPZGPGR-SECBINFHSA-N 1 0 221.260 -0.412 20 30 BBEDRO C#CCN1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000364043479 347244703 /nfs/dbraw/zinc/24/47/03/347244703.db2.gz USKGOTYWPZGPGR-VIFPVBQESA-N 1 0 221.260 -0.412 20 30 BBEDRO C#CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364735923 347504761 /nfs/dbraw/zinc/50/47/61/347504761.db2.gz VQUBWWBVJCUYKF-UHFFFAOYSA-N 1 0 218.260 -0.192 20 30 BBEDRO N#Cc1nccnc1N1CCN2CCOC[C@H]2C1 ZINC000364885040 385128572 /nfs/dbraw/zinc/12/85/72/385128572.db2.gz SGAVIJGIRBSNGB-SNVBAGLBSA-N 1 0 245.286 -0.131 20 30 BBEDRO C#CCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000364921896 397919448 /nfs/dbraw/zinc/91/94/48/397919448.db2.gz DYRQFERODATPCM-SECBINFHSA-N 1 0 216.306 -0.237 20 30 BBEDRO C#CCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000364921911 397919563 /nfs/dbraw/zinc/91/95/63/397919563.db2.gz DYRQFERODATPCM-VIFPVBQESA-N 1 0 216.306 -0.237 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366317231 135067723 /nfs/dbraw/zinc/06/77/23/135067723.db2.gz VWHXSSVQTBZOBS-BDAKNGLRSA-N 1 0 206.245 -0.396 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366317238 135067266 /nfs/dbraw/zinc/06/72/66/135067266.db2.gz VWHXSSVQTBZOBS-DTWKUNHWSA-N 1 0 206.245 -0.396 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366317239 135067763 /nfs/dbraw/zinc/06/77/63/135067763.db2.gz VWHXSSVQTBZOBS-IUCAKERBSA-N 1 0 206.245 -0.396 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366317241 135067890 /nfs/dbraw/zinc/06/78/90/135067890.db2.gz VWHXSSVQTBZOBS-RKDXNWHRSA-N 1 0 206.245 -0.396 20 30 BBEDRO C#CCCC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366425781 533036256 /nfs/dbraw/zinc/03/62/56/533036256.db2.gz XMGWYXOZBAWDIF-NXEZZACHSA-N 1 0 220.272 -0.006 20 30 BBEDRO C#CCCC[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366425782 533036378 /nfs/dbraw/zinc/03/63/78/533036378.db2.gz XMGWYXOZBAWDIF-UWVGGRQHSA-N 1 0 220.272 -0.006 20 30 BBEDRO C#CCCC[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366425783 533036720 /nfs/dbraw/zinc/03/67/20/533036720.db2.gz XMGWYXOZBAWDIF-VHSXEESVSA-N 1 0 220.272 -0.006 20 30 BBEDRO C#CCCC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366425784 533035741 /nfs/dbraw/zinc/03/57/41/533035741.db2.gz XMGWYXOZBAWDIF-ZJUUUORDSA-N 1 0 220.272 -0.006 20 30 BBEDRO CC#CCC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366776035 135275557 /nfs/dbraw/zinc/27/55/57/135275557.db2.gz ZVPLBRBUHAQYFF-GHMZBOCLSA-N 1 0 222.288 -0.011 20 30 BBEDRO CC#CCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366776036 135275243 /nfs/dbraw/zinc/27/52/43/135275243.db2.gz ZVPLBRBUHAQYFF-MNOVXSKESA-N 1 0 222.288 -0.011 20 30 BBEDRO CC#CCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366776038 135275484 /nfs/dbraw/zinc/27/54/84/135275484.db2.gz ZVPLBRBUHAQYFF-QWRGUYRKSA-N 1 0 222.288 -0.011 20 30 BBEDRO CC#CCC[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366776039 135275416 /nfs/dbraw/zinc/27/54/16/135275416.db2.gz ZVPLBRBUHAQYFF-WDEREUQCSA-N 1 0 222.288 -0.011 20 30 BBEDRO C#CCC[N@H+]1CCCN(CC(=O)NC)CC1 ZINC000366888939 385994486 /nfs/dbraw/zinc/99/44/86/385994486.db2.gz UJVGNXCYXVQYKS-UHFFFAOYSA-N 1 0 223.320 -0.237 20 30 BBEDRO C=CCCS(=O)(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366979120 386261474 /nfs/dbraw/zinc/26/14/74/386261474.db2.gz APYJCRCTIUKEPI-ZJUUUORDSA-N 1 0 246.332 -0.435 20 30 BBEDRO C#CCCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367018782 533039811 /nfs/dbraw/zinc/03/98/11/533039811.db2.gz CJCSHCVYJXKHDW-GFCCVEGCSA-N 1 0 235.331 -0.094 20 30 BBEDRO C#CCCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367018783 533038842 /nfs/dbraw/zinc/03/88/42/533038842.db2.gz CJCSHCVYJXKHDW-LBPRGKRZSA-N 1 0 235.331 -0.094 20 30 BBEDRO C#CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367147896 134161976 /nfs/dbraw/zinc/16/19/76/134161976.db2.gz IEXUWPTYUHJFAA-JTQLQIEISA-N 1 0 207.277 -0.874 20 30 BBEDRO C#CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367147897 533174186 /nfs/dbraw/zinc/17/41/86/533174186.db2.gz IEXUWPTYUHJFAA-SNVBAGLBSA-N 1 0 207.277 -0.874 20 30 BBEDRO C=CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367159382 534862781 /nfs/dbraw/zinc/86/27/81/534862781.db2.gz NIRDHYAURUQOOV-JTQLQIEISA-N 1 0 209.293 -0.322 20 30 BBEDRO C=CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367159383 134165022 /nfs/dbraw/zinc/16/50/22/134165022.db2.gz NIRDHYAURUQOOV-SNVBAGLBSA-N 1 0 209.293 -0.322 20 30 BBEDRO CC#CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367286796 134185932 /nfs/dbraw/zinc/18/59/32/134185932.db2.gz PAQXXIWKJDHJAO-LLVKDONJSA-N 1 0 221.304 -0.484 20 30 BBEDRO CC#CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367286799 134185887 /nfs/dbraw/zinc/18/58/87/134185887.db2.gz PAQXXIWKJDHJAO-NSHDSACASA-N 1 0 221.304 -0.484 20 30 BBEDRO C#CCCS(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000367950542 533074284 /nfs/dbraw/zinc/07/42/84/533074284.db2.gz GEMDBILWHOAINS-PHIMTYICSA-N 1 0 242.344 -0.167 20 30 BBEDRO CO/N=C/C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368021803 134217188 /nfs/dbraw/zinc/21/71/88/134217188.db2.gz MMSYMSYMBRBQBI-AUDFLCMFSA-N 1 0 241.291 -0.402 20 30 BBEDRO CO/N=C/C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368021805 134217082 /nfs/dbraw/zinc/21/70/82/134217082.db2.gz MMSYMSYMBRBQBI-IXZJQBKPSA-N 1 0 241.291 -0.402 20 30 BBEDRO CO/N=C/C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368021808 134216968 /nfs/dbraw/zinc/21/69/68/134216968.db2.gz MMSYMSYMBRBQBI-ZPZBUVKBSA-N 1 0 241.291 -0.402 20 30 BBEDRO CO/N=C/C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368021809 134217034 /nfs/dbraw/zinc/21/70/34/134217034.db2.gz MMSYMSYMBRBQBI-ZVDULQEDSA-N 1 0 241.291 -0.402 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368257468 134217917 /nfs/dbraw/zinc/21/79/17/134217917.db2.gz FVBJFTGCRNZYQT-AXFHLTTASA-N 1 0 249.314 -0.808 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368257469 134217912 /nfs/dbraw/zinc/21/79/12/134217912.db2.gz FVBJFTGCRNZYQT-DCAQKATOSA-N 1 0 249.314 -0.808 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368257470 134217826 /nfs/dbraw/zinc/21/78/26/134217826.db2.gz FVBJFTGCRNZYQT-GARJFASQSA-N 1 0 249.314 -0.808 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368257471 134217823 /nfs/dbraw/zinc/21/78/23/134217823.db2.gz FVBJFTGCRNZYQT-HBNTYKKESA-N 1 0 249.314 -0.808 20 30 BBEDRO CNC(NC[C@H]1CN(C2CC2)CCO1)=[NH+]C ZINC000368356049 134218146 /nfs/dbraw/zinc/21/81/46/134218146.db2.gz VBEHXAXZXXWNMK-JTQLQIEISA-N 1 0 226.324 -0.356 20 30 BBEDRO CNC(NC[C@@H]1CN(C2CC2)CCO1)=[NH+]C ZINC000368356050 134218094 /nfs/dbraw/zinc/21/80/94/134218094.db2.gz VBEHXAXZXXWNMK-SNVBAGLBSA-N 1 0 226.324 -0.356 20 30 BBEDRO C#C[C@@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000368415191 533232226 /nfs/dbraw/zinc/23/22/26/533232226.db2.gz ZFMWPVWRPVSEBH-GHMZBOCLSA-N 1 0 221.304 -0.486 20 30 BBEDRO C#C[C@@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000368415192 533231782 /nfs/dbraw/zinc/23/17/82/533231782.db2.gz ZFMWPVWRPVSEBH-MNOVXSKESA-N 1 0 221.304 -0.486 20 30 BBEDRO C#C[C@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000368415193 533294613 /nfs/dbraw/zinc/29/46/13/533294613.db2.gz ZFMWPVWRPVSEBH-QWRGUYRKSA-N 1 0 221.304 -0.486 20 30 BBEDRO C#C[C@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000368415194 533295893 /nfs/dbraw/zinc/29/58/93/533295893.db2.gz ZFMWPVWRPVSEBH-WDEREUQCSA-N 1 0 221.304 -0.486 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000368573683 134219374 /nfs/dbraw/zinc/21/93/74/134219374.db2.gz HKUILPHRGKHEAG-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368573684 134219247 /nfs/dbraw/zinc/21/92/47/134219247.db2.gz HKUILPHRGKHEAG-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000368573685 134219305 /nfs/dbraw/zinc/21/93/05/134219305.db2.gz HKUILPHRGKHEAG-VHSXEESVSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368573686 166382892 /nfs/dbraw/zinc/38/28/92/166382892.db2.gz HKUILPHRGKHEAG-ZJUUUORDSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368800900 134220182 /nfs/dbraw/zinc/22/01/82/134220182.db2.gz TTWVIWHOHJUCQR-SECBINFHSA-N 1 0 210.277 -0.255 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368800901 534857135 /nfs/dbraw/zinc/85/71/35/534857135.db2.gz TTWVIWHOHJUCQR-VIFPVBQESA-N 1 0 210.277 -0.255 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000368856869 134220778 /nfs/dbraw/zinc/22/07/78/134220778.db2.gz YHRCDKHMAWPCDN-SECBINFHSA-N 1 0 234.259 -0.055 20 30 BBEDRO C#CC[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368856870 134220831 /nfs/dbraw/zinc/22/08/31/134220831.db2.gz YHRCDKHMAWPCDN-VIFPVBQESA-N 1 0 234.259 -0.055 20 30 BBEDRO C#CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369024804 533170589 /nfs/dbraw/zinc/17/05/89/533170589.db2.gz AJCPMWMFDQHCBZ-GHMZBOCLSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369024810 533173349 /nfs/dbraw/zinc/17/33/49/533173349.db2.gz AJCPMWMFDQHCBZ-MNOVXSKESA-N 1 0 237.303 -0.218 20 30 BBEDRO C#CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369024812 533172783 /nfs/dbraw/zinc/17/27/83/533172783.db2.gz AJCPMWMFDQHCBZ-QWRGUYRKSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369024814 533170560 /nfs/dbraw/zinc/17/05/60/533170560.db2.gz AJCPMWMFDQHCBZ-WDEREUQCSA-N 1 0 237.303 -0.218 20 30 BBEDRO C[NH+](C)CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369222630 134221769 /nfs/dbraw/zinc/22/17/69/134221769.db2.gz ZYFQLZWAJHRSQJ-LLVKDONJSA-N 1 0 236.319 -0.253 20 30 BBEDRO C[NH+](C)CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369222631 134221969 /nfs/dbraw/zinc/22/19/69/134221969.db2.gz ZYFQLZWAJHRSQJ-NSHDSACASA-N 1 0 236.319 -0.253 20 30 BBEDRO CC#CC[N@H+]1CCCN(CC(=O)NC)CC1 ZINC000369620554 323357908 /nfs/dbraw/zinc/35/79/08/323357908.db2.gz GPSSVISQFYBTHZ-UHFFFAOYSA-N 1 0 223.320 -0.237 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370085120 134224347 /nfs/dbraw/zinc/22/43/47/134224347.db2.gz RYADVIMHNXXUBM-GWCFXTLKSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000370085121 134224270 /nfs/dbraw/zinc/22/42/70/134224270.db2.gz RYADVIMHNXXUBM-GXFFZTMASA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370085122 134224449 /nfs/dbraw/zinc/22/44/49/134224449.db2.gz RYADVIMHNXXUBM-MFKMUULPSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000370085123 134224172 /nfs/dbraw/zinc/22/41/72/134224172.db2.gz RYADVIMHNXXUBM-ZWNOBZJWSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CC[N@H+]1CCCN(CC(=O)OC)CC1 ZINC000370236122 533152641 /nfs/dbraw/zinc/15/26/41/533152641.db2.gz MDQXEYKIBFDJJK-UHFFFAOYSA-N 1 0 210.277 -0.200 20 30 BBEDRO C[NH+](C)CCN1CCCN(C(=O)CC#N)CC1 ZINC000370378449 535874510 /nfs/dbraw/zinc/87/45/10/535874510.db2.gz HBBUZBQXPHRIEY-UHFFFAOYSA-N 1 0 238.335 -0.004 20 30 BBEDRO C[C@H](CC#N)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371220197 134227992 /nfs/dbraw/zinc/22/79/92/134227992.db2.gz PAYJSHVZFWWAET-GHMZBOCLSA-N 1 0 236.319 -0.205 20 30 BBEDRO C[C@H](CC#N)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371220198 134227678 /nfs/dbraw/zinc/22/76/78/134227678.db2.gz PAYJSHVZFWWAET-MNOVXSKESA-N 1 0 236.319 -0.205 20 30 BBEDRO C[C@@H](CC#N)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371220199 134228076 /nfs/dbraw/zinc/22/80/76/134228076.db2.gz PAYJSHVZFWWAET-QWRGUYRKSA-N 1 0 236.319 -0.205 20 30 BBEDRO C[C@@H](CC#N)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371220200 134228184 /nfs/dbraw/zinc/22/81/84/134228184.db2.gz PAYJSHVZFWWAET-WDEREUQCSA-N 1 0 236.319 -0.205 20 30 BBEDRO N#CCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372327581 134231155 /nfs/dbraw/zinc/23/11/55/134231155.db2.gz SBCCIBFQAKQDLO-GHMZBOCLSA-N 1 0 237.303 -0.042 20 30 BBEDRO N#CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372327582 134231066 /nfs/dbraw/zinc/23/10/66/134231066.db2.gz SBCCIBFQAKQDLO-MNOVXSKESA-N 1 0 237.303 -0.042 20 30 BBEDRO N#CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372327583 134231224 /nfs/dbraw/zinc/23/12/24/134231224.db2.gz SBCCIBFQAKQDLO-QWRGUYRKSA-N 1 0 237.303 -0.042 20 30 BBEDRO N#CCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372327585 134231084 /nfs/dbraw/zinc/23/10/84/134231084.db2.gz SBCCIBFQAKQDLO-WDEREUQCSA-N 1 0 237.303 -0.042 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372362158 134231887 /nfs/dbraw/zinc/23/18/87/134231887.db2.gz WWTZZDRLLCWFSJ-NXEZZACHSA-N 1 0 222.288 -0.419 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372362159 134231806 /nfs/dbraw/zinc/23/18/06/134231806.db2.gz WWTZZDRLLCWFSJ-UWVGGRQHSA-N 1 0 222.288 -0.419 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372362160 134231862 /nfs/dbraw/zinc/23/18/62/134231862.db2.gz WWTZZDRLLCWFSJ-VHSXEESVSA-N 1 0 222.288 -0.419 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372362161 134231601 /nfs/dbraw/zinc/23/16/01/134231601.db2.gz WWTZZDRLLCWFSJ-ZJUUUORDSA-N 1 0 222.288 -0.419 20 30 BBEDRO C#CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372860293 533065915 /nfs/dbraw/zinc/06/59/15/533065915.db2.gz TVYOKQGWCQXHQU-LLVKDONJSA-N 1 0 221.304 -0.484 20 30 BBEDRO C#CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372860298 533064716 /nfs/dbraw/zinc/06/47/16/533064716.db2.gz TVYOKQGWCQXHQU-NSHDSACASA-N 1 0 221.304 -0.484 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000373495251 134234752 /nfs/dbraw/zinc/23/47/52/134234752.db2.gz WMSVKRDFXKINDH-HBNTYKKESA-N 1 0 215.293 -0.259 20 30 BBEDRO C#CC[C@@H](C)NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000373615440 533206497 /nfs/dbraw/zinc/20/64/97/533206497.db2.gz JXBBACWVFIYCDD-KXUCPTDWSA-N 1 0 210.277 -0.109 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374025597 134235567 /nfs/dbraw/zinc/23/55/67/134235567.db2.gz XPWJFHLRIBMTAM-NXEZZACHSA-N 1 0 208.261 -0.401 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374025598 134235442 /nfs/dbraw/zinc/23/54/42/134235442.db2.gz XPWJFHLRIBMTAM-UWVGGRQHSA-N 1 0 208.261 -0.401 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000374025599 134235521 /nfs/dbraw/zinc/23/55/21/134235521.db2.gz XPWJFHLRIBMTAM-VHSXEESVSA-N 1 0 208.261 -0.401 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000374025600 134235534 /nfs/dbraw/zinc/23/55/34/134235534.db2.gz XPWJFHLRIBMTAM-ZJUUUORDSA-N 1 0 208.261 -0.401 20 30 BBEDRO C#CC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000374202755 533150906 /nfs/dbraw/zinc/15/09/06/533150906.db2.gz ZPZZJRYKKYMSJF-GFCCVEGCSA-N 1 0 235.287 -0.070 20 30 BBEDRO C#CC[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000374202756 533149470 /nfs/dbraw/zinc/14/94/70/533149470.db2.gz ZPZZJRYKKYMSJF-LBPRGKRZSA-N 1 0 235.287 -0.070 20 30 BBEDRO C#CC[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000374999591 533149598 /nfs/dbraw/zinc/14/95/98/533149598.db2.gz RHTWHRMODMJWJU-UHFFFAOYSA-N 1 0 238.331 -0.221 20 30 BBEDRO CO/N=C/C(=O)N1CC[NH+]2CCC1CC2 ZINC000375089699 387511172 /nfs/dbraw/zinc/51/11/72/387511172.db2.gz IKWMHBPZBLIFKY-DHZHZOJOSA-N 1 0 211.265 -0.075 20 30 BBEDRO CC#CCC[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000375173767 134238856 /nfs/dbraw/zinc/23/88/56/134238856.db2.gz CJWDKADHUHHAIC-UHFFFAOYSA-N 1 0 245.348 -0.389 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000377598171 134244553 /nfs/dbraw/zinc/24/45/53/134244553.db2.gz AZISSOGOMMLTNR-NXEZZACHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377598172 134244179 /nfs/dbraw/zinc/24/41/79/134244179.db2.gz AZISSOGOMMLTNR-UWVGGRQHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000377598173 134244525 /nfs/dbraw/zinc/24/45/25/134244525.db2.gz AZISSOGOMMLTNR-VHSXEESVSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377598174 134244270 /nfs/dbraw/zinc/24/42/70/134244270.db2.gz AZISSOGOMMLTNR-ZJUUUORDSA-N 1 0 237.303 -0.678 20 30 BBEDRO COCC[N@@H+]1CCCN(C(=O)/C=N/OC)CC1 ZINC000377717666 134244787 /nfs/dbraw/zinc/24/47/87/134244787.db2.gz IIHITWGCWXAUFO-ZRDIBKRKSA-N 1 0 243.307 -0.201 20 30 BBEDRO C#CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000377735000 134244821 /nfs/dbraw/zinc/24/48/21/134244821.db2.gz RYAIWGRGWCUVLF-JTQLQIEISA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000377735001 533174615 /nfs/dbraw/zinc/17/46/15/533174615.db2.gz RYAIWGRGWCUVLF-SNVBAGLBSA-N 1 0 210.277 -0.155 20 30 BBEDRO CO/N=C/C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000377851180 134244981 /nfs/dbraw/zinc/24/49/81/134244981.db2.gz JCBMSSDSRLUEMA-MJWAUXSNSA-N 1 0 243.307 -0.466 20 30 BBEDRO CO/N=C/C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000377851281 134245044 /nfs/dbraw/zinc/24/50/44/134245044.db2.gz JCBMSSDSRLUEMA-ZDIKFAODSA-N 1 0 243.307 -0.466 20 30 BBEDRO C#CC[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000378594582 533150112 /nfs/dbraw/zinc/15/01/12/533150112.db2.gz GGAQZZHIDFJGOP-UHFFFAOYSA-N 1 0 235.331 -0.142 20 30 BBEDRO C#CCNC(=O)CN1CC[NH+](C2CCC2)CC1 ZINC000378692730 346807946 /nfs/dbraw/zinc/80/79/46/346807946.db2.gz BHPXSOPGJLPPMC-UHFFFAOYSA-N 1 0 235.331 -0.094 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000378711761 712358408 /nfs/dbraw/zinc/35/84/08/712358408.db2.gz UISQXKJTCHIAFR-LLVKDONJSA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000378711762 712357963 /nfs/dbraw/zinc/35/79/63/712357963.db2.gz UISQXKJTCHIAFR-NSHDSACASA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCn1cccn1 ZINC000378756192 346824911 /nfs/dbraw/zinc/82/49/11/346824911.db2.gz YFXUYVPMNUQSPK-UHFFFAOYSA-N 1 0 220.276 -0.388 20 30 BBEDRO Cn1ncc(C=[NH+]N2CCN(C)CC2)c1N ZINC000378863372 712364556 /nfs/dbraw/zinc/36/45/56/712364556.db2.gz VIUABWQLUAFKBJ-UHFFFAOYSA-N 1 0 222.296 -0.416 20 30 BBEDRO CC[C@H](CO)[N@H+](C)CC(=O)NCCC#N ZINC000379033511 712367912 /nfs/dbraw/zinc/36/79/12/712367912.db2.gz YFICFZOBIMTWIL-SECBINFHSA-N 1 0 213.281 -0.281 20 30 BBEDRO CC[C@@H](CO)[N@H+](C)CC(=O)NCCC#N ZINC000379033512 712367846 /nfs/dbraw/zinc/36/78/46/712367846.db2.gz YFICFZOBIMTWIL-VIFPVBQESA-N 1 0 213.281 -0.281 20 30 BBEDRO C#CCN(CCS(N)(=O)=O)C1CC1 ZINC000379373074 712378298 /nfs/dbraw/zinc/37/82/98/712378298.db2.gz KMUIOWYZFQYBGK-UHFFFAOYSA-N 1 0 202.279 -0.628 20 30 BBEDRO CN1CC[NH+]=C1NCCCS(C)(=O)=O ZINC000379488740 712385346 /nfs/dbraw/zinc/38/53/46/712385346.db2.gz MMHKTTUCTNEWKI-UHFFFAOYSA-N 1 0 219.310 -0.688 20 30 BBEDRO C[C@H](C#N)OCC[NH+](CCO)CCO ZINC000379490747 712386138 /nfs/dbraw/zinc/38/61/38/712386138.db2.gz PXLHOGCHDOPJPW-SECBINFHSA-N 1 0 202.254 -0.798 20 30 BBEDRO C[C@@H](C#N)OCC[NH+](CCO)CCO ZINC000379490749 712385982 /nfs/dbraw/zinc/38/59/82/712385982.db2.gz PXLHOGCHDOPJPW-VIFPVBQESA-N 1 0 202.254 -0.798 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCCOCCO)N1 ZINC000379524959 712387160 /nfs/dbraw/zinc/38/71/60/712387160.db2.gz NTUSEAPRWVAZHO-MRVPVSSYSA-N 1 0 201.270 -0.677 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCCOCCO)N1 ZINC000379524960 712387126 /nfs/dbraw/zinc/38/71/26/712387126.db2.gz NTUSEAPRWVAZHO-QMMMGPOBSA-N 1 0 201.270 -0.677 20 30 BBEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCOC1 ZINC000379601350 712390154 /nfs/dbraw/zinc/39/01/54/712390154.db2.gz LRQRSCJRXWILQM-VIFPVBQESA-N 1 0 219.306 -0.034 20 30 BBEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CCO ZINC000379642110 711805089 /nfs/dbraw/zinc/80/50/89/711805089.db2.gz VSVKZEQYAYLMTJ-SECBINFHSA-N 1 0 221.322 -0.052 20 30 BBEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CCO ZINC000379642114 712390827 /nfs/dbraw/zinc/39/08/27/712390827.db2.gz VSVKZEQYAYLMTJ-VIFPVBQESA-N 1 0 221.322 -0.052 20 30 BBEDRO C=CCOCCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000379740657 488149558 /nfs/dbraw/zinc/14/95/58/488149558.db2.gz JEOSWEVGNCNNMZ-GFCCVEGCSA-N 1 0 242.319 -0.069 20 30 BBEDRO C=CCOCCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000379740658 488149229 /nfs/dbraw/zinc/14/92/29/488149229.db2.gz JEOSWEVGNCNNMZ-LBPRGKRZSA-N 1 0 242.319 -0.069 20 30 BBEDRO CN1CC[NH+]=C1NCCCn1ccnn1 ZINC000379794644 712399278 /nfs/dbraw/zinc/39/92/78/712399278.db2.gz ICPWDLMMIXKSHV-UHFFFAOYSA-N 1 0 208.269 -0.441 20 30 BBEDRO COCC[N@H+](CCO)CCO[C@@H](C)C#N ZINC000379797611 712403382 /nfs/dbraw/zinc/40/33/82/712403382.db2.gz IXXHDGZYJOGXIN-JTQLQIEISA-N 1 0 216.281 -0.144 20 30 BBEDRO COCC[N@H+](CCO)CCO[C@H](C)C#N ZINC000379797622 712403395 /nfs/dbraw/zinc/40/33/95/712403395.db2.gz IXXHDGZYJOGXIN-SNVBAGLBSA-N 1 0 216.281 -0.144 20 30 BBEDRO C=C[C@@H](C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000379798384 373063410 /nfs/dbraw/zinc/06/34/10/373063410.db2.gz LELXJBZWBVXCJM-BDAKNGLRSA-N 1 0 234.321 -0.531 20 30 BBEDRO C=C[C@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000379798395 373062331 /nfs/dbraw/zinc/06/23/31/373062331.db2.gz LELXJBZWBVXCJM-DTWKUNHWSA-N 1 0 234.321 -0.531 20 30 BBEDRO C=C[C@H](C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000379798398 373063430 /nfs/dbraw/zinc/06/34/30/373063430.db2.gz LELXJBZWBVXCJM-IUCAKERBSA-N 1 0 234.321 -0.531 20 30 BBEDRO C=C[C@@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000379798403 373062385 /nfs/dbraw/zinc/06/23/85/373062385.db2.gz LELXJBZWBVXCJM-RKDXNWHRSA-N 1 0 234.321 -0.531 20 30 BBEDRO C#CC[NH2+]CC(=O)N[C@H](CC)C(=O)OC ZINC000379808641 712605711 /nfs/dbraw/zinc/60/57/11/712605711.db2.gz YGWQBQIDVPOXRJ-MRVPVSSYSA-N 1 0 212.249 -0.723 20 30 BBEDRO C#CC[NH2+]CC(=O)N[C@@H](CC)C(=O)OC ZINC000379808645 712605705 /nfs/dbraw/zinc/60/57/05/712605705.db2.gz YGWQBQIDVPOXRJ-QMMMGPOBSA-N 1 0 212.249 -0.723 20 30 BBEDRO CN1CC[NH+]=C1NCCc1ccnn1C ZINC000379839661 712616514 /nfs/dbraw/zinc/61/65/14/712616514.db2.gz CQFXVVNYHCEREB-UHFFFAOYSA-N 1 0 207.281 -0.146 20 30 BBEDRO COCC[N@H+](C)C[C@@H](O)CN(C)CC#N ZINC000379840851 365310995 /nfs/dbraw/zinc/31/09/95/365310995.db2.gz GQTFYXQCXRRGTN-JTQLQIEISA-N 1 0 215.297 -0.619 20 30 BBEDRO COCC[N@H+](C)C[C@H](O)CN(C)CC#N ZINC000379840857 365311112 /nfs/dbraw/zinc/31/11/12/365311112.db2.gz GQTFYXQCXRRGTN-SNVBAGLBSA-N 1 0 215.297 -0.619 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CCO)[C@@H](C)CC ZINC000379844091 712616465 /nfs/dbraw/zinc/61/64/65/712616465.db2.gz HITBYPAISWWATM-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CCO)[C@H](C)CC ZINC000379844092 712616483 /nfs/dbraw/zinc/61/64/83/712616483.db2.gz HITBYPAISWWATM-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CC)[C@H]1CCOC1 ZINC000379871069 712619624 /nfs/dbraw/zinc/61/96/24/712619624.db2.gz QMQJGAIDDKSNJM-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CC)[C@@H]1CCOC1 ZINC000379871070 712619637 /nfs/dbraw/zinc/61/96/37/712619637.db2.gz QMQJGAIDDKSNJM-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO COCCOCCCNC1=[NH+]C[C@@H](C)N1 ZINC000379909952 712624526 /nfs/dbraw/zinc/62/45/26/712624526.db2.gz MBVOACSWWMVIKA-SECBINFHSA-N 1 0 215.297 -0.023 20 30 BBEDRO COCCOCCCNC1=[NH+]C[C@H](C)N1 ZINC000379909953 712624563 /nfs/dbraw/zinc/62/45/63/712624563.db2.gz MBVOACSWWMVIKA-VIFPVBQESA-N 1 0 215.297 -0.023 20 30 BBEDRO CC[C@]1([NH2+]CC(=O)NCC#N)CCOC1 ZINC000379966140 343660540 /nfs/dbraw/zinc/66/05/40/343660540.db2.gz YZRRJDUDNVOCMS-JTQLQIEISA-N 1 0 211.265 -0.215 20 30 BBEDRO CC[C@@]1([NH2+]CC(=O)NCC#N)CCOC1 ZINC000379966142 343660678 /nfs/dbraw/zinc/66/06/78/343660678.db2.gz YZRRJDUDNVOCMS-SNVBAGLBSA-N 1 0 211.265 -0.215 20 30 BBEDRO C#CCNC(=O)C[NH2+]C1(CO)CCCC1 ZINC000379979768 712643521 /nfs/dbraw/zinc/64/35/21/712643521.db2.gz GSTNTJQTUMQRBZ-UHFFFAOYSA-N 1 0 210.277 -0.370 20 30 BBEDRO C[NH+](C)CCOCCNc1ccnc(C#N)n1 ZINC000379984971 343662894 /nfs/dbraw/zinc/66/28/94/343662894.db2.gz KDJLPJMCAXRNAA-UHFFFAOYSA-N 1 0 235.291 -0.240 20 30 BBEDRO C#CCNC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000380090955 712685536 /nfs/dbraw/zinc/68/55/36/712685536.db2.gz IVNRKZSPTUJXRE-UHFFFAOYSA-N 1 0 212.293 -0.125 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)C1CC1 ZINC000380149347 712700026 /nfs/dbraw/zinc/70/00/26/712700026.db2.gz XJPRYTJNJHXTBP-PSASIEDQSA-N 1 0 210.277 -0.515 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000380149353 712700052 /nfs/dbraw/zinc/70/00/52/712700052.db2.gz XJPRYTJNJHXTBP-SCZZXKLOSA-N 1 0 210.277 -0.515 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)C1CC1 ZINC000380149357 712700058 /nfs/dbraw/zinc/70/00/58/712700058.db2.gz XJPRYTJNJHXTBP-WCBMZHEXSA-N 1 0 210.277 -0.515 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000380149360 712699986 /nfs/dbraw/zinc/69/99/86/712699986.db2.gz XJPRYTJNJHXTBP-WPRPVWTQSA-N 1 0 210.277 -0.515 20 30 BBEDRO C#C[C@@H]([NH2+]C[C@H](O)COC)[C@@H]1CCCO1 ZINC000380293705 712862302 /nfs/dbraw/zinc/86/23/02/712862302.db2.gz CCTBWGGXNMNIPI-AXFHLTTASA-N 1 0 213.277 -0.236 20 30 BBEDRO C#C[C@H]([NH2+]C[C@H](O)COC)[C@@H]1CCCO1 ZINC000380293706 712862236 /nfs/dbraw/zinc/86/22/36/712862236.db2.gz CCTBWGGXNMNIPI-DCAQKATOSA-N 1 0 213.277 -0.236 20 30 BBEDRO C#C[C@H]([NH2+]C[C@H](O)COC)[C@H]1CCCO1 ZINC000380293707 712862293 /nfs/dbraw/zinc/86/22/93/712862293.db2.gz CCTBWGGXNMNIPI-GARJFASQSA-N 1 0 213.277 -0.236 20 30 BBEDRO C#C[C@@H]([NH2+]C[C@H](O)COC)[C@H]1CCCO1 ZINC000380293711 712862379 /nfs/dbraw/zinc/86/23/79/712862379.db2.gz CCTBWGGXNMNIPI-HBNTYKKESA-N 1 0 213.277 -0.236 20 30 BBEDRO C#C[C@H]([NH2+]C[C@@H](O)COC)[C@H]1CCCO1 ZINC000380293713 712862249 /nfs/dbraw/zinc/86/22/49/712862249.db2.gz CCTBWGGXNMNIPI-OUAUKWLOSA-N 1 0 213.277 -0.236 20 30 BBEDRO C#C[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1CCCO1 ZINC000380293714 712862352 /nfs/dbraw/zinc/86/23/52/712862352.db2.gz CCTBWGGXNMNIPI-VWYCJHECSA-N 1 0 213.277 -0.236 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000380301028 712864336 /nfs/dbraw/zinc/86/43/36/712864336.db2.gz DQQZSBULKFXYNR-NXEZZACHSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000380301044 712864062 /nfs/dbraw/zinc/86/40/62/712864062.db2.gz DQQZSBULKFXYNR-VHSXEESVSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000380301046 712864055 /nfs/dbraw/zinc/86/40/55/712864055.db2.gz DQQZSBULKFXYNR-ZJUUUORDSA-N 1 0 210.277 -0.250 20 30 BBEDRO C=CC[C@@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000381080989 373848237 /nfs/dbraw/zinc/84/82/37/373848237.db2.gz RJMHSSQTXVKYDH-NXEZZACHSA-N 1 0 248.348 -0.141 20 30 BBEDRO C=CC[C@H](C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000381081004 373847511 /nfs/dbraw/zinc/84/75/11/373847511.db2.gz RJMHSSQTXVKYDH-UWVGGRQHSA-N 1 0 248.348 -0.141 20 30 BBEDRO C=CC[C@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000381081005 373848571 /nfs/dbraw/zinc/84/85/71/373848571.db2.gz RJMHSSQTXVKYDH-VHSXEESVSA-N 1 0 248.348 -0.141 20 30 BBEDRO C=CC[C@@H](C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000381081012 373848865 /nfs/dbraw/zinc/84/88/65/373848865.db2.gz RJMHSSQTXVKYDH-ZJUUUORDSA-N 1 0 248.348 -0.141 20 30 BBEDRO C=C(C)[C@@H](CO)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000381120352 538995000 /nfs/dbraw/zinc/99/50/00/538995000.db2.gz IKTKTJMYPAUTSH-GHMZBOCLSA-N 1 0 225.292 -0.020 20 30 BBEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000381120353 538995027 /nfs/dbraw/zinc/99/50/27/538995027.db2.gz IKTKTJMYPAUTSH-MNOVXSKESA-N 1 0 225.292 -0.020 20 30 BBEDRO C=C(C)[C@H](CO)[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000381120355 538995033 /nfs/dbraw/zinc/99/50/33/538995033.db2.gz IKTKTJMYPAUTSH-QWRGUYRKSA-N 1 0 225.292 -0.020 20 30 BBEDRO C=C(C)[C@H](CO)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000381120357 538994985 /nfs/dbraw/zinc/99/49/85/538994985.db2.gz IKTKTJMYPAUTSH-WDEREUQCSA-N 1 0 225.292 -0.020 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000381204775 344484421 /nfs/dbraw/zinc/48/44/21/344484421.db2.gz FZKJDMRHOVVAHR-OCAPTIKFSA-N 1 0 232.309 -0.844 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000381306277 710620029 /nfs/dbraw/zinc/62/00/29/710620029.db2.gz JXGARLHDNQMGIY-GXSJLCMTSA-N 1 0 224.304 -0.125 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000381306279 710620268 /nfs/dbraw/zinc/62/02/68/710620268.db2.gz JXGARLHDNQMGIY-KOLCDFICSA-N 1 0 224.304 -0.125 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000381306284 710619799 /nfs/dbraw/zinc/61/97/99/710619799.db2.gz JXGARLHDNQMGIY-MWLCHTKSSA-N 1 0 224.304 -0.125 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000381306286 710619681 /nfs/dbraw/zinc/61/96/81/710619681.db2.gz JXGARLHDNQMGIY-ONGXEEELSA-N 1 0 224.304 -0.125 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CC)CO ZINC000381388698 710631776 /nfs/dbraw/zinc/63/17/76/710631776.db2.gz NLAXBLHFQXTTJH-MRVPVSSYSA-N 1 0 229.280 -0.641 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC)CO ZINC000381388699 710632129 /nfs/dbraw/zinc/63/21/29/710632129.db2.gz NLAXBLHFQXTTJH-QMMMGPOBSA-N 1 0 229.280 -0.641 20 30 BBEDRO CN1CC[NH+]=C1NCCCn1cncn1 ZINC000381424395 710635392 /nfs/dbraw/zinc/63/53/92/710635392.db2.gz UYSARLWMRNOJAO-UHFFFAOYSA-N 1 0 208.269 -0.441 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCCn2cncn2)N1 ZINC000381448100 710637568 /nfs/dbraw/zinc/63/75/68/710637568.db2.gz ZRWZYQOZVLNHNY-MRVPVSSYSA-N 1 0 208.269 -0.395 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCCn2cncn2)N1 ZINC000381448101 710637546 /nfs/dbraw/zinc/63/75/46/710637546.db2.gz ZRWZYQOZVLNHNY-QMMMGPOBSA-N 1 0 208.269 -0.395 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccn[nH]1 ZINC000381481555 710643712 /nfs/dbraw/zinc/64/37/12/710643712.db2.gz DUIMOELGCBOMGK-HTRCEHHLSA-N 1 0 205.221 -0.749 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccn[nH]1 ZINC000381481556 710643413 /nfs/dbraw/zinc/64/34/13/710643413.db2.gz DUIMOELGCBOMGK-POYBYMJQSA-N 1 0 205.221 -0.749 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccn[nH]1 ZINC000381481557 710643285 /nfs/dbraw/zinc/64/32/85/710643285.db2.gz DUIMOELGCBOMGK-SVRRBLITSA-N 1 0 205.221 -0.749 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccn[nH]1 ZINC000381481558 710644056 /nfs/dbraw/zinc/64/40/56/710644056.db2.gz DUIMOELGCBOMGK-XPUUQOCRSA-N 1 0 205.221 -0.749 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccon1 ZINC000381488744 710645528 /nfs/dbraw/zinc/64/55/28/710645528.db2.gz LGGUASSOXUFDDL-HTRCEHHLSA-N 1 0 206.205 -0.484 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccon1 ZINC000381488745 710644999 /nfs/dbraw/zinc/64/49/99/710644999.db2.gz LGGUASSOXUFDDL-POYBYMJQSA-N 1 0 206.205 -0.484 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccon1 ZINC000381488746 710644963 /nfs/dbraw/zinc/64/49/63/710644963.db2.gz LGGUASSOXUFDDL-SVRRBLITSA-N 1 0 206.205 -0.484 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccon1 ZINC000381488747 710644498 /nfs/dbraw/zinc/64/44/98/710644498.db2.gz LGGUASSOXUFDDL-XPUUQOCRSA-N 1 0 206.205 -0.484 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000381534098 710651632 /nfs/dbraw/zinc/65/16/32/710651632.db2.gz DOFNVEGNLIWQII-GHMZBOCLSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000381534100 710651430 /nfs/dbraw/zinc/65/14/30/710651430.db2.gz DOFNVEGNLIWQII-MNOVXSKESA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000381534102 710651294 /nfs/dbraw/zinc/65/12/94/710651294.db2.gz DOFNVEGNLIWQII-QWRGUYRKSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000381534103 710651461 /nfs/dbraw/zinc/65/14/61/710651461.db2.gz DOFNVEGNLIWQII-WDEREUQCSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#C[C@@H]([NH2+]CC1(CO)COC1)[C@H]1CCCO1 ZINC000381554328 710654761 /nfs/dbraw/zinc/65/47/61/710654761.db2.gz OARBKHTXLGWRCJ-GHMZBOCLSA-N 1 0 225.288 -0.234 20 30 BBEDRO C#C[C@@H]([NH2+]CC1(CO)COC1)[C@@H]1CCCO1 ZINC000381554329 710654943 /nfs/dbraw/zinc/65/49/43/710654943.db2.gz OARBKHTXLGWRCJ-MNOVXSKESA-N 1 0 225.288 -0.234 20 30 BBEDRO C#C[C@H]([NH2+]CC1(CO)COC1)[C@@H]1CCCO1 ZINC000381554330 710654414 /nfs/dbraw/zinc/65/44/14/710654414.db2.gz OARBKHTXLGWRCJ-QWRGUYRKSA-N 1 0 225.288 -0.234 20 30 BBEDRO C#C[C@H]([NH2+]CC1(CO)COC1)[C@H]1CCCO1 ZINC000381554331 710654952 /nfs/dbraw/zinc/65/49/52/710654952.db2.gz OARBKHTXLGWRCJ-WDEREUQCSA-N 1 0 225.288 -0.234 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1cc(C)n[nH]1 ZINC000381574969 710655794 /nfs/dbraw/zinc/65/57/94/710655794.db2.gz ZLTLIAGGMVQBEC-UHFFFAOYSA-N 1 0 220.276 -0.053 20 30 BBEDRO CC(C)OCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000381600270 710659678 /nfs/dbraw/zinc/65/96/78/710659678.db2.gz NIVGJDGJMBLSLT-BDAKNGLRSA-N 1 0 211.265 -0.361 20 30 BBEDRO CC(C)OCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000381600272 710659948 /nfs/dbraw/zinc/65/99/48/710659948.db2.gz NIVGJDGJMBLSLT-DTWKUNHWSA-N 1 0 211.265 -0.361 20 30 BBEDRO CC(C)OCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000381600273 710660182 /nfs/dbraw/zinc/66/01/82/710660182.db2.gz NIVGJDGJMBLSLT-IUCAKERBSA-N 1 0 211.265 -0.361 20 30 BBEDRO CC(C)OCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000381600280 710660047 /nfs/dbraw/zinc/66/00/47/710660047.db2.gz NIVGJDGJMBLSLT-RKDXNWHRSA-N 1 0 211.265 -0.361 20 30 BBEDRO CO[C@H](C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000381603029 710660881 /nfs/dbraw/zinc/66/08/81/710660881.db2.gz ORNNXWQPKBPOGT-HLTSFMKQSA-N 1 0 211.265 -0.361 20 30 BBEDRO CO[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000381603030 710661391 /nfs/dbraw/zinc/66/13/91/710661391.db2.gz ORNNXWQPKBPOGT-HRDYMLBCSA-N 1 0 211.265 -0.361 20 30 BBEDRO CO[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000381603031 710661003 /nfs/dbraw/zinc/66/10/03/710661003.db2.gz ORNNXWQPKBPOGT-IWSPIJDZSA-N 1 0 211.265 -0.361 20 30 BBEDRO CO[C@H](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000381603032 710660848 /nfs/dbraw/zinc/66/08/48/710660848.db2.gz ORNNXWQPKBPOGT-VGMNWLOBSA-N 1 0 211.265 -0.361 20 30 BBEDRO N#CCCNC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000381636286 710665210 /nfs/dbraw/zinc/66/52/10/710665210.db2.gz WFAYQTWHVAPJDK-JTQLQIEISA-N 1 0 225.292 -0.233 20 30 BBEDRO N#CCCNC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000381636287 710665341 /nfs/dbraw/zinc/66/53/41/710665341.db2.gz WFAYQTWHVAPJDK-SNVBAGLBSA-N 1 0 225.292 -0.233 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2cnc(N)nc2)N1 ZINC000381646896 710666698 /nfs/dbraw/zinc/66/66/98/710666698.db2.gz QRRGLQOTWDZROJ-LURJTMIESA-N 1 0 219.252 -0.840 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnc(N)nc2)N1 ZINC000381646901 710666691 /nfs/dbraw/zinc/66/66/91/710666691.db2.gz QRRGLQOTWDZROJ-ZCFIWIBFSA-N 1 0 219.252 -0.840 20 30 BBEDRO C#CCC[C@@H](O)CNc1cc(C)[nH+]c(N)n1 ZINC000381686876 710670396 /nfs/dbraw/zinc/67/03/96/710670396.db2.gz YSTDTGRXMYZMHJ-SECBINFHSA-N 1 0 220.276 -0.194 20 30 BBEDRO C#CCC[C@H](O)CNc1cc(C)[nH+]c(N)n1 ZINC000381686919 710670471 /nfs/dbraw/zinc/67/04/71/710670471.db2.gz YSTDTGRXMYZMHJ-VIFPVBQESA-N 1 0 220.276 -0.194 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C1CCN(C)CC1 ZINC000381707406 346722768 /nfs/dbraw/zinc/72/27/68/346722768.db2.gz JQPQLOMRSMFMGF-UHFFFAOYSA-N 1 0 223.320 -0.190 20 30 BBEDRO COCC#CCN[C@H](CO)c1cnn(C)c1 ZINC000381711855 539005648 /nfs/dbraw/zinc/00/56/48/539005648.db2.gz KIXHZDAIFPSXSF-LLVKDONJSA-N 1 0 223.276 -0.307 20 30 BBEDRO COCC#CCN[C@@H](CO)c1cnn(C)c1 ZINC000381711862 539006120 /nfs/dbraw/zinc/00/61/20/539006120.db2.gz KIXHZDAIFPSXSF-NSHDSACASA-N 1 0 223.276 -0.307 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000381749874 710699471 /nfs/dbraw/zinc/69/94/71/710699471.db2.gz QVVXETPTDCHENI-SECBINFHSA-N 1 0 220.276 -0.180 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000381749875 710700402 /nfs/dbraw/zinc/70/04/02/710700402.db2.gz QVVXETPTDCHENI-VIFPVBQESA-N 1 0 220.276 -0.180 20 30 BBEDRO C=CCCOCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000381827982 398275468 /nfs/dbraw/zinc/27/54/68/398275468.db2.gz MVDXNQXAXUBIIG-JZYVYDRUSA-N 1 0 210.277 -0.087 20 30 BBEDRO CCCOCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000381868677 710757268 /nfs/dbraw/zinc/75/72/68/710757268.db2.gz XYQCMRITCFOSGV-BDAKNGLRSA-N 1 0 211.265 -0.359 20 30 BBEDRO CCCOCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000381868678 710756762 /nfs/dbraw/zinc/75/67/62/710756762.db2.gz XYQCMRITCFOSGV-DTWKUNHWSA-N 1 0 211.265 -0.359 20 30 BBEDRO CCCOCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000381868679 710757488 /nfs/dbraw/zinc/75/74/88/710757488.db2.gz XYQCMRITCFOSGV-IUCAKERBSA-N 1 0 211.265 -0.359 20 30 BBEDRO CCCOCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000381868680 710756575 /nfs/dbraw/zinc/75/65/75/710756575.db2.gz XYQCMRITCFOSGV-RKDXNWHRSA-N 1 0 211.265 -0.359 20 30 BBEDRO C#CC[N@@H+](C)CCCNCc1cn(C)nn1 ZINC000382037032 710767776 /nfs/dbraw/zinc/76/77/76/710767776.db2.gz WEURLLFYUJPVFS-UHFFFAOYSA-N 1 0 221.308 -0.140 20 30 BBEDRO COCCN(C)[NH+]=Cc1cnn(C)c1N ZINC000382155662 710801066 /nfs/dbraw/zinc/80/10/66/710801066.db2.gz REDVUWFEDHENPD-UHFFFAOYSA-N 1 0 211.269 -0.086 20 30 BBEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)NCCC ZINC000382200978 367497897 /nfs/dbraw/zinc/49/78/97/367497897.db2.gz FCJQIFAEWMWXRO-UHFFFAOYSA-N 1 0 247.364 -0.225 20 30 BBEDRO C#CCN(C)CCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000382269746 347254493 /nfs/dbraw/zinc/25/44/93/347254493.db2.gz YXAZRQYVRONLCX-LLVKDONJSA-N 1 0 246.376 -0.036 20 30 BBEDRO C#CCN(C)CCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000382269766 367503275 /nfs/dbraw/zinc/50/32/75/367503275.db2.gz YXAZRQYVRONLCX-NSHDSACASA-N 1 0 246.376 -0.036 20 30 BBEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCO[C@@H](C#N)C1 ZINC000382412709 350598343 /nfs/dbraw/zinc/59/83/43/350598343.db2.gz JEZLEJGJAUEJLB-NEPJUHHUSA-N 1 0 241.335 -0.088 20 30 BBEDRO CC(C)[N@H+](C)C[C@H](O)CN1CCO[C@H](C#N)C1 ZINC000382412710 350598624 /nfs/dbraw/zinc/59/86/24/350598624.db2.gz JEZLEJGJAUEJLB-NWDGAFQWSA-N 1 0 241.335 -0.088 20 30 BBEDRO CC(C)[N@H+](C)C[C@H](O)CN1CCO[C@@H](C#N)C1 ZINC000382412711 350598438 /nfs/dbraw/zinc/59/84/38/350598438.db2.gz JEZLEJGJAUEJLB-RYUDHWBXSA-N 1 0 241.335 -0.088 20 30 BBEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCO[C@H](C#N)C1 ZINC000382412712 350598445 /nfs/dbraw/zinc/59/84/45/350598445.db2.gz JEZLEJGJAUEJLB-VXGBXAGGSA-N 1 0 241.335 -0.088 20 30 BBEDRO COCC[N@H+](C)CCNc1ccnc(C#N)n1 ZINC000382466755 350830347 /nfs/dbraw/zinc/83/03/47/350830347.db2.gz CQKRYCMHOLGDRB-UHFFFAOYSA-N 1 0 235.291 -0.240 20 30 BBEDRO C=C1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000382547740 367535689 /nfs/dbraw/zinc/53/56/89/367535689.db2.gz AAZDBKAZTSXTNS-UHFFFAOYSA-N 1 0 211.265 -0.760 20 30 BBEDRO C=C1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000382553866 367538895 /nfs/dbraw/zinc/53/88/95/367538895.db2.gz ZAWGUVZXMGCQKO-VHSXEESVSA-N 1 0 210.277 -0.112 20 30 BBEDRO C=CCNC(=O)NC(=O)CSCC[NH2+]C ZINC000382646544 367550088 /nfs/dbraw/zinc/55/00/88/367550088.db2.gz LYWVPBJEGFDCQG-UHFFFAOYSA-N 1 0 231.321 -0.049 20 30 BBEDRO N#C[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000382658283 711547114 /nfs/dbraw/zinc/54/71/14/711547114.db2.gz PCOIFULQNMHCDF-NEPJUHHUSA-N 1 0 239.319 -0.333 20 30 BBEDRO N#C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000382658284 711547073 /nfs/dbraw/zinc/54/70/73/711547073.db2.gz PCOIFULQNMHCDF-NWDGAFQWSA-N 1 0 239.319 -0.333 20 30 BBEDRO N#C[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000382658285 711546754 /nfs/dbraw/zinc/54/67/54/711546754.db2.gz PCOIFULQNMHCDF-RYUDHWBXSA-N 1 0 239.319 -0.333 20 30 BBEDRO N#C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000382658286 711546552 /nfs/dbraw/zinc/54/65/52/711546552.db2.gz PCOIFULQNMHCDF-VXGBXAGGSA-N 1 0 239.319 -0.333 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000382811178 711793906 /nfs/dbraw/zinc/79/39/06/711793906.db2.gz PVRJSXXLXFIMJQ-SECBINFHSA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000382811179 711793893 /nfs/dbraw/zinc/79/38/93/711793893.db2.gz PVRJSXXLXFIMJQ-VIFPVBQESA-N 1 0 212.293 -0.173 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)[C@H](C)C[NH3+] ZINC000382979261 367578897 /nfs/dbraw/zinc/57/88/97/367578897.db2.gz QFZQJIFSNMXBTI-MRVPVSSYSA-N 1 0 228.296 -0.723 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)[C@@H](C)C[NH3+] ZINC000382979265 367578696 /nfs/dbraw/zinc/57/86/96/367578696.db2.gz QFZQJIFSNMXBTI-QMMMGPOBSA-N 1 0 228.296 -0.723 20 30 BBEDRO C[NH+](C)C[C@](C)(O)CNc1cc(C#N)ncn1 ZINC000383381918 412180031 /nfs/dbraw/zinc/18/00/31/412180031.db2.gz GCURQMQNZAAGKB-LLVKDONJSA-N 1 0 235.291 0.073 20 30 BBEDRO C[NH+](C)C[C@@](C)(O)CNc1cc(C#N)ncn1 ZINC000383381919 412182357 /nfs/dbraw/zinc/18/23/57/412182357.db2.gz GCURQMQNZAAGKB-NSHDSACASA-N 1 0 235.291 0.073 20 30 BBEDRO C#CCNC(=O)CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000383552198 710983316 /nfs/dbraw/zinc/98/33/16/710983316.db2.gz XKNZRZGUOUHNCE-NEPJUHHUSA-N 1 0 235.331 -0.381 20 30 BBEDRO COCC[N@H+](C)C[C@@H](O)Cn1cc(C#N)cn1 ZINC000383678032 354891396 /nfs/dbraw/zinc/89/13/96/354891396.db2.gz QAFGLRNDWKPTDO-LLVKDONJSA-N 1 0 238.291 -0.306 20 30 BBEDRO COCC[N@H+](C)C[C@H](O)Cn1cc(C#N)cn1 ZINC000383678038 354891257 /nfs/dbraw/zinc/89/12/57/354891257.db2.gz QAFGLRNDWKPTDO-NSHDSACASA-N 1 0 238.291 -0.306 20 30 BBEDRO C[NH+](C)C[C@](C)(O)CNc1ccnc(C#N)n1 ZINC000383761084 355286888 /nfs/dbraw/zinc/28/68/88/355286888.db2.gz LMVFQTMFSMMAQF-LLVKDONJSA-N 1 0 235.291 -0.505 20 30 BBEDRO C[NH+](C)C[C@@](C)(O)CNc1ccnc(C#N)n1 ZINC000383761091 355286932 /nfs/dbraw/zinc/28/69/32/355286932.db2.gz LMVFQTMFSMMAQF-NSHDSACASA-N 1 0 235.291 -0.505 20 30 BBEDRO CC[N@H+](CCOCCO)CC(=O)NCCC#N ZINC000384155881 710671956 /nfs/dbraw/zinc/67/19/56/710671956.db2.gz RHGPDMKZUJMRDW-UHFFFAOYSA-N 1 0 243.307 -0.653 20 30 BBEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NC(N)=O ZINC000384166059 710740924 /nfs/dbraw/zinc/74/09/24/710740924.db2.gz LIFSIHKGZYGTPE-GMSGAONNSA-N 1 0 211.265 -0.039 20 30 BBEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000384166060 710741243 /nfs/dbraw/zinc/74/12/43/710741243.db2.gz LIFSIHKGZYGTPE-OIBJUYFYSA-N 1 0 211.265 -0.039 20 30 BBEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NC(N)=O ZINC000384166061 710741495 /nfs/dbraw/zinc/74/14/95/710741495.db2.gz LIFSIHKGZYGTPE-XCBNKYQSSA-N 1 0 211.265 -0.039 20 30 BBEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000384166062 710741063 /nfs/dbraw/zinc/74/10/63/710741063.db2.gz LIFSIHKGZYGTPE-XVKPBYJWSA-N 1 0 211.265 -0.039 20 30 BBEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000384205968 710991341 /nfs/dbraw/zinc/99/13/41/710991341.db2.gz NFHKBKWDGDDCPJ-CYBMUJFWSA-N 1 0 249.314 -0.025 20 30 BBEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000384205969 710991960 /nfs/dbraw/zinc/99/19/60/710991960.db2.gz NFHKBKWDGDDCPJ-ZDUSSCGKSA-N 1 0 249.314 -0.025 20 30 BBEDRO C#CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384630994 710994709 /nfs/dbraw/zinc/99/47/09/710994709.db2.gz RFQAUBAUYJZTDH-IAZYJMLFSA-N 1 0 221.304 -0.772 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000384804683 710996884 /nfs/dbraw/zinc/99/68/84/710996884.db2.gz ZDDZWQQKSBPGQT-NXEZZACHSA-N 1 0 210.277 -0.419 20 30 BBEDRO N#CCCN1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384834979 356767210 /nfs/dbraw/zinc/76/72/10/356767210.db2.gz NWKBRHRCGNMKRH-SNVBAGLBSA-N 1 0 222.292 -0.594 20 30 BBEDRO C[C@@H](CN1CCOCC1)Nc1ncncc1C#N ZINC000384965390 356821384 /nfs/dbraw/zinc/82/13/84/356821384.db2.gz JQAXZSZSELGOQM-JTQLQIEISA-N 1 0 247.302 -0.097 20 30 BBEDRO C[C@H](CN1CCOCC1)Nc1ncncc1C#N ZINC000384965391 356821524 /nfs/dbraw/zinc/82/15/24/356821524.db2.gz JQAXZSZSELGOQM-SNVBAGLBSA-N 1 0 247.302 -0.097 20 30 BBEDRO N#Cc1cncnc1N1CCC[N@@H+](CCO)CC1 ZINC000385000864 356841875 /nfs/dbraw/zinc/84/18/75/356841875.db2.gz TVTNYKLAKMDQMO-UHFFFAOYSA-N 1 0 247.302 -0.147 20 30 BBEDRO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)NCCC#N ZINC000385012219 712707817 /nfs/dbraw/zinc/70/78/17/712707817.db2.gz IDVGKWKCJHYRMR-BDAKNGLRSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCCC#N ZINC000385012221 712707711 /nfs/dbraw/zinc/70/77/11/712707711.db2.gz IDVGKWKCJHYRMR-DTWKUNHWSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)NCCC#N ZINC000385012223 712707808 /nfs/dbraw/zinc/70/78/08/712707808.db2.gz IDVGKWKCJHYRMR-IUCAKERBSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCCC#N ZINC000385012224 712707758 /nfs/dbraw/zinc/70/77/58/712707758.db2.gz IDVGKWKCJHYRMR-RKDXNWHRSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)NCCC#N ZINC000385058398 711004668 /nfs/dbraw/zinc/00/46/68/711004668.db2.gz UKYTUEODKYYKCV-NXEZZACHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)c1cnn(C)c1N ZINC000385468772 711714204 /nfs/dbraw/zinc/71/42/04/711714204.db2.gz ADUPSIPAPWJPEI-UHFFFAOYSA-N 1 0 249.318 -0.313 20 30 BBEDRO C[C@@H](C#N)OCC[N@H+](CCO)CCCO ZINC000385705234 711016110 /nfs/dbraw/zinc/01/61/10/711016110.db2.gz HQHXNOPITSZAJL-JTQLQIEISA-N 1 0 216.281 -0.408 20 30 BBEDRO C[C@H](C#N)OCC[N@H+](CCO)CCCO ZINC000385705242 711016574 /nfs/dbraw/zinc/01/65/74/711016574.db2.gz HQHXNOPITSZAJL-SNVBAGLBSA-N 1 0 216.281 -0.408 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000385747517 342846115 /nfs/dbraw/zinc/84/61/15/342846115.db2.gz COISBHNRESLDAH-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)NCC#N ZINC000385770246 367863308 /nfs/dbraw/zinc/86/33/08/367863308.db2.gz GPHWWVVOBMPGIK-BDAKNGLRSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCC#N ZINC000385770247 367863286 /nfs/dbraw/zinc/86/32/86/367863286.db2.gz GPHWWVVOBMPGIK-DTWKUNHWSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)NCC#N ZINC000385770249 367863302 /nfs/dbraw/zinc/86/33/02/367863302.db2.gz GPHWWVVOBMPGIK-IUCAKERBSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCC#N ZINC000385770251 367863173 /nfs/dbraw/zinc/86/31/73/367863173.db2.gz GPHWWVVOBMPGIK-RKDXNWHRSA-N 1 0 211.265 -0.671 20 30 BBEDRO CCN(CC)C(=O)CNC(NC)=[NH+]C ZINC000385948596 711020827 /nfs/dbraw/zinc/02/08/27/711020827.db2.gz CHRNIQDHBAYUPG-UHFFFAOYSA-N 1 0 200.286 -0.350 20 30 BBEDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccnc(C#N)n1 ZINC000385995722 362921585 /nfs/dbraw/zinc/92/15/85/362921585.db2.gz SIVSIULUBXBTRH-JTQLQIEISA-N 1 0 246.318 -0.572 20 30 BBEDRO CN1CC[N@H+](C)C[C@H]1CNc1ccnc(C#N)n1 ZINC000385995724 362921671 /nfs/dbraw/zinc/92/16/71/362921671.db2.gz SIVSIULUBXBTRH-SNVBAGLBSA-N 1 0 246.318 -0.572 20 30 BBEDRO C[NH+]1CCN(CCNc2ccnc(C#N)n2)CC1 ZINC000386053835 362931108 /nfs/dbraw/zinc/93/11/08/362931108.db2.gz CKWTZVMXRIZDPA-UHFFFAOYSA-N 1 0 246.318 -0.571 20 30 BBEDRO CNC(NC[C@@](C)(O)CSC)=[NH+]C ZINC000386102894 711021623 /nfs/dbraw/zinc/02/16/23/711021623.db2.gz KBPGGUZPBCXWMC-MRVPVSSYSA-N 1 0 205.327 -0.105 20 30 BBEDRO CNC(NC[C@](C)(O)CSC)=[NH+]C ZINC000386102896 711022447 /nfs/dbraw/zinc/02/24/47/711022447.db2.gz KBPGGUZPBCXWMC-QMMMGPOBSA-N 1 0 205.327 -0.105 20 30 BBEDRO CNC(NCC[C@H](C)[S@](C)=O)=[NH+]C ZINC000386152621 711024212 /nfs/dbraw/zinc/02/42/12/711024212.db2.gz SJMUVZQYXOBMJX-CPFSXVBKSA-N 1 0 205.327 -0.062 20 30 BBEDRO CNC(NCC[C@H](C)[S@@](C)=O)=[NH+]C ZINC000386152622 711024185 /nfs/dbraw/zinc/02/41/85/711024185.db2.gz SJMUVZQYXOBMJX-WPPNPWJKSA-N 1 0 205.327 -0.062 20 30 BBEDRO CNC(NCCCS(C)(=O)=O)=[NH+]C ZINC000386179516 711025440 /nfs/dbraw/zinc/02/54/40/711025440.db2.gz XVPIQFJQKZUULJ-UHFFFAOYSA-N 1 0 207.299 -0.784 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(CC#N)CC2)C1 ZINC000386193203 367927730 /nfs/dbraw/zinc/92/77/30/367927730.db2.gz CIRWSNPZHQFEPH-LLVKDONJSA-N 1 0 236.319 -0.394 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2CCN(CC#N)CC2)C1 ZINC000386193204 367927933 /nfs/dbraw/zinc/92/79/33/367927933.db2.gz CIRWSNPZHQFEPH-NSHDSACASA-N 1 0 236.319 -0.394 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](C#N)C2)C1 ZINC000386252172 362957304 /nfs/dbraw/zinc/95/73/04/362957304.db2.gz RZHMZUZJJBAXDX-NXEZZACHSA-N 1 0 223.276 -0.311 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000386252178 362957131 /nfs/dbraw/zinc/95/71/31/362957131.db2.gz RZHMZUZJJBAXDX-UWVGGRQHSA-N 1 0 223.276 -0.311 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](C#N)C2)C1 ZINC000386252182 362957121 /nfs/dbraw/zinc/95/71/21/362957121.db2.gz RZHMZUZJJBAXDX-VHSXEESVSA-N 1 0 223.276 -0.311 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000386252184 362957251 /nfs/dbraw/zinc/95/72/51/362957251.db2.gz RZHMZUZJJBAXDX-ZJUUUORDSA-N 1 0 223.276 -0.311 20 30 BBEDRO C#CCN(CC#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000386254077 367939425 /nfs/dbraw/zinc/93/94/25/367939425.db2.gz SOCJWTLQWWLGSR-JTQLQIEISA-N 1 0 205.261 -0.077 20 30 BBEDRO C#CCN(CC#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000386254080 367939593 /nfs/dbraw/zinc/93/95/93/367939593.db2.gz SOCJWTLQWWLGSR-SNVBAGLBSA-N 1 0 205.261 -0.077 20 30 BBEDRO CNC(NC[C@](C)(O)CCOC)=[NH+]C ZINC000386254211 711501008 /nfs/dbraw/zinc/50/10/08/711501008.db2.gz JNCYRGKUKBNKOO-SECBINFHSA-N 1 0 203.286 -0.431 20 30 BBEDRO CNC(NC[C@@](C)(O)CCOC)=[NH+]C ZINC000386254212 711500901 /nfs/dbraw/zinc/50/09/01/711500901.db2.gz JNCYRGKUKBNKOO-VIFPVBQESA-N 1 0 203.286 -0.431 20 30 BBEDRO CN1CCC[NH+]=C1NCCCNS(C)(=O)=O ZINC000386380410 711027859 /nfs/dbraw/zinc/02/78/59/711027859.db2.gz CXDALENSVGKTTF-UHFFFAOYSA-N 1 0 248.352 -0.793 20 30 BBEDRO CC(=O)NCCCNC1=[NH+]CCCN1C ZINC000386589875 711034117 /nfs/dbraw/zinc/03/41/17/711034117.db2.gz QZVMRCCTCPLARZ-UHFFFAOYSA-N 1 0 212.297 -0.206 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387673020 711955334 /nfs/dbraw/zinc/95/53/34/711955334.db2.gz DOBSGORCOHMRSO-SECBINFHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387673026 711955300 /nfs/dbraw/zinc/95/53/00/711955300.db2.gz DOBSGORCOHMRSO-VIFPVBQESA-N 1 0 210.277 -0.562 20 30 BBEDRO CC1(C)CN(CC(=O)NCC#N)C[C@H]1O ZINC000387807900 347093956 /nfs/dbraw/zinc/09/39/56/347093956.db2.gz QEVKLLGAHKMCSR-MRVPVSSYSA-N 1 0 211.265 -0.671 20 30 BBEDRO CC1(C)CN(CC(=O)NCC#N)C[C@@H]1O ZINC000387807901 347093916 /nfs/dbraw/zinc/09/39/16/347093916.db2.gz QEVKLLGAHKMCSR-QMMMGPOBSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@@H]1C[N@H+](CC(=O)NCCC#N)C[C@@H]1O ZINC000387829400 711047579 /nfs/dbraw/zinc/04/75/79/711047579.db2.gz YISXCYUJRJKVOX-BDAKNGLRSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@H]1C[N@H+](CC(=O)NCCC#N)C[C@H]1O ZINC000387829401 711048396 /nfs/dbraw/zinc/04/83/96/711048396.db2.gz YISXCYUJRJKVOX-DTWKUNHWSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@H]1C[N@H+](CC(=O)NCCC#N)C[C@@H]1O ZINC000387829402 711048252 /nfs/dbraw/zinc/04/82/52/711048252.db2.gz YISXCYUJRJKVOX-IUCAKERBSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@@H]1C[N@H+](CC(=O)NCCC#N)C[C@H]1O ZINC000387829404 711047638 /nfs/dbraw/zinc/04/76/38/711047638.db2.gz YISXCYUJRJKVOX-RKDXNWHRSA-N 1 0 211.265 -0.671 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000387909306 711048997 /nfs/dbraw/zinc/04/89/97/711048997.db2.gz WIMYVTMZTQTESB-GUBZILKMSA-N 1 0 210.277 -0.563 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000387909307 711047944 /nfs/dbraw/zinc/04/79/44/711047944.db2.gz WIMYVTMZTQTESB-KXUCPTDWSA-N 1 0 210.277 -0.563 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000387909308 711048389 /nfs/dbraw/zinc/04/83/89/711048389.db2.gz WIMYVTMZTQTESB-LPEHRKFASA-N 1 0 210.277 -0.563 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000387909309 711047565 /nfs/dbraw/zinc/04/75/65/711047565.db2.gz WIMYVTMZTQTESB-UTLUCORTSA-N 1 0 210.277 -0.563 20 30 BBEDRO N#CCC1(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000388108522 369466615 /nfs/dbraw/zinc/46/66/15/369466615.db2.gz ZCOWOZYEDKLIEU-DTORHVGOSA-N 1 0 233.271 -0.115 20 30 BBEDRO C=CCN(CCS(N)(=O)=O)C1CC1 ZINC000388347641 711869773 /nfs/dbraw/zinc/86/97/73/711869773.db2.gz MYJARMJSDMOKPJ-UHFFFAOYSA-N 1 0 204.295 -0.075 20 30 BBEDRO C#C[C@@H](C)[N@H+](C)CCCS(N)(=O)=O ZINC000388677113 343248515 /nfs/dbraw/zinc/24/85/15/343248515.db2.gz ZHJBRYNPULMDLA-MRVPVSSYSA-N 1 0 204.295 -0.382 20 30 BBEDRO C#C[C@H](C)[N@H+](C)CCCS(N)(=O)=O ZINC000388677118 385208119 /nfs/dbraw/zinc/20/81/19/385208119.db2.gz ZHJBRYNPULMDLA-QMMMGPOBSA-N 1 0 204.295 -0.382 20 30 BBEDRO C=CCOCCNC(=O)[C@H](C[NH3+])OC ZINC000388842151 711069483 /nfs/dbraw/zinc/06/94/83/711069483.db2.gz XEINDNHHGNXAFR-QMMMGPOBSA-N 1 0 202.254 -0.721 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCO ZINC000389324639 712688996 /nfs/dbraw/zinc/68/89/96/712688996.db2.gz DQSPKWDXZUVPRJ-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCO ZINC000389324644 712688940 /nfs/dbraw/zinc/68/89/40/712688940.db2.gz DQSPKWDXZUVPRJ-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C=CCOCCNC(=O)[C@H]([NH3+])CCOC ZINC000389328990 711076281 /nfs/dbraw/zinc/07/62/81/711076281.db2.gz KWJMWHIDVWNGFA-SECBINFHSA-N 1 0 216.281 -0.331 20 30 BBEDRO C=CCOCCNC(=O)[C@@H]([NH3+])CCOC ZINC000389328991 711075547 /nfs/dbraw/zinc/07/55/47/711075547.db2.gz KWJMWHIDVWNGFA-VIFPVBQESA-N 1 0 216.281 -0.331 20 30 BBEDRO CC[N@H+](CCO[C@H](C)C#N)CC(=O)NC ZINC000389370921 711077089 /nfs/dbraw/zinc/07/70/89/711077089.db2.gz LGTVNYJZVHKHNZ-SECBINFHSA-N 1 0 213.281 -0.017 20 30 BBEDRO CC[N@H+](CCO[C@@H](C)C#N)CC(=O)NC ZINC000389370923 711077642 /nfs/dbraw/zinc/07/76/42/711077642.db2.gz LGTVNYJZVHKHNZ-VIFPVBQESA-N 1 0 213.281 -0.017 20 30 BBEDRO COCCOCCCNC1=[NH+]CCN1C ZINC000389409649 711079065 /nfs/dbraw/zinc/07/90/65/711079065.db2.gz OATUJAWIPBBHNS-UHFFFAOYSA-N 1 0 215.297 -0.070 20 30 BBEDRO CCNC(NCc1cnn(C)n1)=[NH+]CC ZINC000389976957 711102507 /nfs/dbraw/zinc/10/25/07/711102507.db2.gz GHCIGOGLSHIFDH-UHFFFAOYSA-N 1 0 210.285 -0.110 20 30 BBEDRO CCNC(NCc1cn(C)nn1)=[NH+]CC ZINC000390006866 711102662 /nfs/dbraw/zinc/10/26/62/711102662.db2.gz XDMIGRZKEGCYMA-UHFFFAOYSA-N 1 0 210.285 -0.110 20 30 BBEDRO CN(C)C(=O)CCCNC1=[NH+]CCN1C ZINC000390215168 711108610 /nfs/dbraw/zinc/10/86/10/711108610.db2.gz GAANULDTOSHULH-UHFFFAOYSA-N 1 0 212.297 -0.254 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCCC(=O)N(C)C)N1 ZINC000390334848 711112954 /nfs/dbraw/zinc/11/29/54/711112954.db2.gz ULPRPOICGYHIPP-MRVPVSSYSA-N 1 0 212.297 -0.208 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCCC(=O)N(C)C)N1 ZINC000390334851 711113158 /nfs/dbraw/zinc/11/31/58/711113158.db2.gz ULPRPOICGYHIPP-QMMMGPOBSA-N 1 0 212.297 -0.208 20 30 BBEDRO CC(C)([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000390342861 711113047 /nfs/dbraw/zinc/11/30/47/711113047.db2.gz NJSBRUZBFAHMFM-HTQZYQBOSA-N 1 0 210.281 -0.658 20 30 BBEDRO CC(C)([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000390342864 711112568 /nfs/dbraw/zinc/11/25/68/711112568.db2.gz NJSBRUZBFAHMFM-JGVFFNPUSA-N 1 0 210.281 -0.658 20 30 BBEDRO CC(C)([NH3+])CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000390342865 711113125 /nfs/dbraw/zinc/11/31/25/711113125.db2.gz NJSBRUZBFAHMFM-SFYZADRCSA-N 1 0 210.281 -0.658 20 30 BBEDRO CC(C)([NH3+])CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000390342866 711113077 /nfs/dbraw/zinc/11/30/77/711113077.db2.gz NJSBRUZBFAHMFM-YUMQZZPRSA-N 1 0 210.281 -0.658 20 30 BBEDRO Cc1ncc(S(=O)(=O)NCC[NH3+])cc1C#N ZINC000390464977 371204777 /nfs/dbraw/zinc/20/47/77/371204777.db2.gz ACCPFDWKFHTMNG-UHFFFAOYSA-N 1 0 240.288 -0.501 20 30 BBEDRO C=CCOCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000390477555 711120372 /nfs/dbraw/zinc/12/03/72/711120372.db2.gz LIPDHAFQUVWPBO-BDAKNGLRSA-N 1 0 209.249 -0.583 20 30 BBEDRO C=CCOCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000390477558 711120307 /nfs/dbraw/zinc/12/03/07/711120307.db2.gz LIPDHAFQUVWPBO-DTWKUNHWSA-N 1 0 209.249 -0.583 20 30 BBEDRO C=CCOCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000390477561 711119794 /nfs/dbraw/zinc/11/97/94/711119794.db2.gz LIPDHAFQUVWPBO-IUCAKERBSA-N 1 0 209.249 -0.583 20 30 BBEDRO C=CCOCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000390477564 711119950 /nfs/dbraw/zinc/11/99/50/711119950.db2.gz LIPDHAFQUVWPBO-RKDXNWHRSA-N 1 0 209.249 -0.583 20 30 BBEDRO Cc1ncc(CO)c(C=NNC(N)=[NH2+])c1O ZINC000390483805 711120067 /nfs/dbraw/zinc/12/00/67/711120067.db2.gz MKNJMPIHMAADBK-UHFFFAOYSA-N 1 0 223.236 -0.595 20 30 BBEDRO C[NH2+]CCNS(=O)(=O)c1cncc(C#N)c1 ZINC000390553281 398042601 /nfs/dbraw/zinc/04/26/01/398042601.db2.gz ZDCRPYLQAAJPOX-UHFFFAOYSA-N 1 0 240.288 -0.549 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)CC(=O)NC ZINC000390560792 259393573 /nfs/dbraw/zinc/39/35/73/259393573.db2.gz RXIVPBPJQVRMAH-SECBINFHSA-N 1 0 225.292 -0.760 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)CC(=O)NC ZINC000390560793 259393550 /nfs/dbraw/zinc/39/35/50/259393550.db2.gz RXIVPBPJQVRMAH-VIFPVBQESA-N 1 0 225.292 -0.760 20 30 BBEDRO C#C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H]1CCCO1 ZINC000390588648 711127143 /nfs/dbraw/zinc/12/71/43/711127143.db2.gz YTRHWSYAPPBELD-NXEZZACHSA-N 1 0 246.332 -0.694 20 30 BBEDRO C#C[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1CCCO1 ZINC000390588649 711127231 /nfs/dbraw/zinc/12/72/31/711127231.db2.gz YTRHWSYAPPBELD-UWVGGRQHSA-N 1 0 246.332 -0.694 20 30 BBEDRO C#C[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1CCCO1 ZINC000390588650 711127062 /nfs/dbraw/zinc/12/70/62/711127062.db2.gz YTRHWSYAPPBELD-VHSXEESVSA-N 1 0 246.332 -0.694 20 30 BBEDRO C#C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1CCCO1 ZINC000390588651 711126705 /nfs/dbraw/zinc/12/67/05/711126705.db2.gz YTRHWSYAPPBELD-ZJUUUORDSA-N 1 0 246.332 -0.694 20 30 BBEDRO C#C[C@H]([NH2+][C@@H]1CCN(C)C1=O)[C@@H]1CCCO1 ZINC000390636960 711129777 /nfs/dbraw/zinc/12/97/77/711129777.db2.gz MBQCDVROVCGUTO-AXFHLTTASA-N 1 0 222.288 -0.013 20 30 BBEDRO C#C[C@H]([NH2+][C@H]1CCN(C)C1=O)[C@@H]1CCCO1 ZINC000390636961 711129228 /nfs/dbraw/zinc/12/92/28/711129228.db2.gz MBQCDVROVCGUTO-DCAQKATOSA-N 1 0 222.288 -0.013 20 30 BBEDRO C#C[C@H]([NH2+][C@H]1CCN(C)C1=O)[C@H]1CCCO1 ZINC000390636963 711129816 /nfs/dbraw/zinc/12/98/16/711129816.db2.gz MBQCDVROVCGUTO-GARJFASQSA-N 1 0 222.288 -0.013 20 30 BBEDRO C#C[C@H]([NH2+][C@@H]1CCN(C)C1=O)[C@H]1CCCO1 ZINC000390636964 711129756 /nfs/dbraw/zinc/12/97/56/711129756.db2.gz MBQCDVROVCGUTO-HBNTYKKESA-N 1 0 222.288 -0.013 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCOC1 ZINC000390752670 712427308 /nfs/dbraw/zinc/42/73/08/712427308.db2.gz DSXUSNJXIDWDKB-DJLDLDEBSA-N 1 0 209.249 -0.749 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCOC1 ZINC000390752671 712427344 /nfs/dbraw/zinc/42/73/44/712427344.db2.gz DSXUSNJXIDWDKB-HLTSFMKQSA-N 1 0 209.249 -0.749 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC000390752672 712427356 /nfs/dbraw/zinc/42/73/56/712427356.db2.gz DSXUSNJXIDWDKB-IWSPIJDZSA-N 1 0 209.249 -0.749 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCOC1 ZINC000390752673 712427336 /nfs/dbraw/zinc/42/73/36/712427336.db2.gz DSXUSNJXIDWDKB-YIZRAAEISA-N 1 0 209.249 -0.749 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1cn(C)cn1 ZINC000390756319 711132591 /nfs/dbraw/zinc/13/25/91/711132591.db2.gz HUXIKXXWYRXTPD-UHFFFAOYSA-N 1 0 220.276 -0.351 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1nccn1C ZINC000390768853 385890264 /nfs/dbraw/zinc/89/02/64/385890264.db2.gz UEMXWVNQUXQETI-UHFFFAOYSA-N 1 0 220.276 -0.351 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000390773744 711133676 /nfs/dbraw/zinc/13/36/76/711133676.db2.gz YONOXZBWOTWLQG-HLTSFMKQSA-N 1 0 209.249 -0.607 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCO1 ZINC000390773745 711133825 /nfs/dbraw/zinc/13/38/25/711133825.db2.gz YONOXZBWOTWLQG-HRDYMLBCSA-N 1 0 209.249 -0.607 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCO1 ZINC000390773746 711133309 /nfs/dbraw/zinc/13/33/09/711133309.db2.gz YONOXZBWOTWLQG-IWSPIJDZSA-N 1 0 209.249 -0.607 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000390773747 711133463 /nfs/dbraw/zinc/13/34/63/711133463.db2.gz YONOXZBWOTWLQG-VGMNWLOBSA-N 1 0 209.249 -0.607 20 30 BBEDRO CCOCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000390780309 711134543 /nfs/dbraw/zinc/13/45/43/711134543.db2.gz JDFRYCOLDQEOKD-BDAKNGLRSA-N 1 0 211.265 -0.359 20 30 BBEDRO CCOCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000390780311 711135091 /nfs/dbraw/zinc/13/50/91/711135091.db2.gz JDFRYCOLDQEOKD-DTWKUNHWSA-N 1 0 211.265 -0.359 20 30 BBEDRO CCOCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000390780312 711134382 /nfs/dbraw/zinc/13/43/82/711134382.db2.gz JDFRYCOLDQEOKD-IUCAKERBSA-N 1 0 211.265 -0.359 20 30 BBEDRO CCOCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000390780314 711134818 /nfs/dbraw/zinc/13/48/18/711134818.db2.gz JDFRYCOLDQEOKD-RKDXNWHRSA-N 1 0 211.265 -0.359 20 30 BBEDRO C#CCNC(=O)CN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000390807339 711135151 /nfs/dbraw/zinc/13/51/51/711135151.db2.gz MDFIVOSPBRFFSV-GHMZBOCLSA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)CN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000390807340 711134466 /nfs/dbraw/zinc/13/44/66/711134466.db2.gz MDFIVOSPBRFFSV-MNOVXSKESA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)CN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000390807341 711134743 /nfs/dbraw/zinc/13/47/43/711134743.db2.gz MDFIVOSPBRFFSV-QWRGUYRKSA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)CN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000390807342 711135094 /nfs/dbraw/zinc/13/50/94/711135094.db2.gz MDFIVOSPBRFFSV-WDEREUQCSA-N 1 0 223.320 -0.240 20 30 BBEDRO CCO[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000390819868 711135684 /nfs/dbraw/zinc/13/56/84/711135684.db2.gz VAXKYXOUCXYNGG-HLTSFMKQSA-N 1 0 211.265 -0.361 20 30 BBEDRO CCO[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000390819869 711136077 /nfs/dbraw/zinc/13/60/77/711136077.db2.gz VAXKYXOUCXYNGG-HRDYMLBCSA-N 1 0 211.265 -0.361 20 30 BBEDRO CCO[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000390819870 711775551 /nfs/dbraw/zinc/77/55/51/711775551.db2.gz VAXKYXOUCXYNGG-IWSPIJDZSA-N 1 0 211.265 -0.361 20 30 BBEDRO CCO[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000390819871 711136006 /nfs/dbraw/zinc/13/60/06/711136006.db2.gz VAXKYXOUCXYNGG-VGMNWLOBSA-N 1 0 211.265 -0.361 20 30 BBEDRO C#CC[N@H+](C)CCCNS(=O)(=O)NC1CC1 ZINC000392769344 387285070 /nfs/dbraw/zinc/28/50/70/387285070.db2.gz ILIJVBRJABHBNZ-UHFFFAOYSA-N 1 0 245.348 -0.472 20 30 BBEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)CCOC ZINC000392773609 259476745 /nfs/dbraw/zinc/47/67/45/259476745.db2.gz LLHHHKYSRIQTRR-UHFFFAOYSA-N 1 0 248.348 -0.493 20 30 BBEDRO C#CCN(C)CCC[NH2+]C[C@@H](O)COCC ZINC000392779823 387287981 /nfs/dbraw/zinc/28/79/81/387287981.db2.gz YRODDRPAAOPVDR-GFCCVEGCSA-N 1 0 228.336 -0.072 20 30 BBEDRO C#CCN(C)CCC[NH2+]C[C@H](O)COCC ZINC000392779825 387287514 /nfs/dbraw/zinc/28/75/14/387287514.db2.gz YRODDRPAAOPVDR-LBPRGKRZSA-N 1 0 228.336 -0.072 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)C(C)(C)O ZINC000392784849 387289051 /nfs/dbraw/zinc/28/90/51/387289051.db2.gz IDLQXGSLDHUUHU-UHFFFAOYSA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)Cn1ccnc1 ZINC000392840279 323387167 /nfs/dbraw/zinc/38/71/67/323387167.db2.gz YUIAIBHOSAJGFB-UHFFFAOYSA-N 1 0 234.303 -0.046 20 30 BBEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)NC(C)C ZINC000392849345 387292937 /nfs/dbraw/zinc/29/29/37/387292937.db2.gz WDMNRBLORBMDME-UHFFFAOYSA-N 1 0 247.364 -0.226 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@](C)(CC)C(N)=O ZINC000393430933 385978129 /nfs/dbraw/zinc/97/81/29/385978129.db2.gz IQQCQTINPKBVTH-LLVKDONJSA-N 1 0 225.292 -0.631 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@](C)(CC)C(N)=O ZINC000393430934 385979477 /nfs/dbraw/zinc/97/94/77/385979477.db2.gz IQQCQTINPKBVTH-NSHDSACASA-N 1 0 225.292 -0.631 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)C1CC1 ZINC000393495607 711161508 /nfs/dbraw/zinc/16/15/08/711161508.db2.gz PKGRZKFLEOJPIN-JTQLQIEISA-N 1 0 210.277 -0.514 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C1CC1 ZINC000393495609 711161572 /nfs/dbraw/zinc/16/15/72/711161572.db2.gz PKGRZKFLEOJPIN-SNVBAGLBSA-N 1 0 210.277 -0.514 20 30 BBEDRO C[C@@H]([NH3+])CNS(=O)(=O)N(C)CCC#N ZINC000393609364 343900514 /nfs/dbraw/zinc/90/05/14/343900514.db2.gz DAYRRMYMIJUNFH-SSDOTTSWSA-N 1 0 220.298 -0.987 20 30 BBEDRO C[C@H]([NH3+])CNS(=O)(=O)N(C)CCC#N ZINC000393609375 345706048 /nfs/dbraw/zinc/70/60/48/345706048.db2.gz DAYRRMYMIJUNFH-ZETCQYMHSA-N 1 0 220.298 -0.987 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](COC)C(C)C ZINC000393612979 711165650 /nfs/dbraw/zinc/16/56/50/711165650.db2.gz YJHUPCBDPSWVDQ-JTQLQIEISA-N 1 0 212.293 -0.004 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](COC)C(C)C ZINC000393612981 710635278 /nfs/dbraw/zinc/63/52/78/710635278.db2.gz YJHUPCBDPSWVDQ-SNVBAGLBSA-N 1 0 212.293 -0.004 20 30 BBEDRO CCNC(NCC(=O)NCC(F)F)=[NH+]CC ZINC000393724909 710670661 /nfs/dbraw/zinc/67/06/61/710670661.db2.gz WCJGJZDEOBTOIM-UHFFFAOYSA-N 1 0 236.266 -0.057 20 30 BBEDRO C=CCNC(=O)CNC(=O)C1(C[NH3+])CCCC1 ZINC000393736692 356664592 /nfs/dbraw/zinc/66/45/92/356664592.db2.gz ABMGLRLZEITKLC-UHFFFAOYSA-N 1 0 239.319 -0.076 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000393737584 357294381 /nfs/dbraw/zinc/29/43/81/357294381.db2.gz BBZWNDFPOGXGAF-JTQLQIEISA-N 1 0 239.319 -0.206 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000393737585 357294512 /nfs/dbraw/zinc/29/45/12/357294512.db2.gz BBZWNDFPOGXGAF-SNVBAGLBSA-N 1 0 239.319 -0.206 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000393739148 410757022 /nfs/dbraw/zinc/75/70/22/410757022.db2.gz CRSGGMCVSBYNGM-VIFPVBQESA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[NH2+]CC1CC1 ZINC000393739593 357295579 /nfs/dbraw/zinc/29/55/79/357295579.db2.gz CZINVOZZUXXLNN-UHFFFAOYSA-N 1 0 225.292 -0.596 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnsn1 ZINC000393742221 711677181 /nfs/dbraw/zinc/67/71/81/711677181.db2.gz COHALZGGDWMRIE-NTSWFWBYSA-N 1 0 223.261 -0.621 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnsn1 ZINC000393742224 711677197 /nfs/dbraw/zinc/67/71/97/711677197.db2.gz COHALZGGDWMRIE-PHDIDXHHSA-N 1 0 223.261 -0.621 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnsn1 ZINC000393742227 710671934 /nfs/dbraw/zinc/67/19/34/710671934.db2.gz COHALZGGDWMRIE-RITPCOANSA-N 1 0 223.261 -0.621 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnsn1 ZINC000393742229 711677079 /nfs/dbraw/zinc/67/70/79/711677079.db2.gz COHALZGGDWMRIE-WDSKDSINSA-N 1 0 223.261 -0.621 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000393743797 410756844 /nfs/dbraw/zinc/75/68/44/410756844.db2.gz JUQAFDCVCPBEHU-HTQZYQBOSA-N 1 0 213.281 -0.612 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000393743798 410757105 /nfs/dbraw/zinc/75/71/05/410757105.db2.gz JUQAFDCVCPBEHU-JGVFFNPUSA-N 1 0 213.281 -0.612 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000393743799 411388074 /nfs/dbraw/zinc/38/80/74/411388074.db2.gz JUQAFDCVCPBEHU-SFYZADRCSA-N 1 0 213.281 -0.612 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000393743800 410756484 /nfs/dbraw/zinc/75/64/84/410756484.db2.gz JUQAFDCVCPBEHU-YUMQZZPRSA-N 1 0 213.281 -0.612 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC[NH2+]C1CC1 ZINC000393745845 387937683 /nfs/dbraw/zinc/93/76/83/387937683.db2.gz JSFABJIQOVTRCM-UHFFFAOYSA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCNC(=O)CNC(=O)CCC[NH2+]C ZINC000393745973 385205281 /nfs/dbraw/zinc/20/52/81/385205281.db2.gz MADHLTUDKVZLQH-UHFFFAOYSA-N 1 0 213.281 -0.596 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC(C)(C)[NH3+] ZINC000393746078 410756820 /nfs/dbraw/zinc/75/68/20/410756820.db2.gz MDWMHEVFIKQQNJ-UHFFFAOYSA-N 1 0 213.281 -0.468 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000393746607 259468189 /nfs/dbraw/zinc/46/81/89/259468189.db2.gz KLLOGFUMSAXRLG-NXEZZACHSA-N 1 0 224.304 -0.125 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000393746609 387940505 /nfs/dbraw/zinc/94/05/05/387940505.db2.gz KLLOGFUMSAXRLG-UWVGGRQHSA-N 1 0 224.304 -0.125 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000393746610 387941372 /nfs/dbraw/zinc/94/13/72/387941372.db2.gz KLLOGFUMSAXRLG-VHSXEESVSA-N 1 0 224.304 -0.125 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000393746612 259468192 /nfs/dbraw/zinc/46/81/92/259468192.db2.gz KLLOGFUMSAXRLG-ZJUUUORDSA-N 1 0 224.304 -0.125 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000393747358 710671441 /nfs/dbraw/zinc/67/14/41/710671441.db2.gz LHKNEXPVFZAYBG-SECBINFHSA-N 1 0 225.292 -0.468 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000393747359 710672279 /nfs/dbraw/zinc/67/22/79/710672279.db2.gz LHKNEXPVFZAYBG-VIFPVBQESA-N 1 0 225.292 -0.468 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000393748398 357295602 /nfs/dbraw/zinc/29/56/02/357295602.db2.gz OWKNQDDZLAHUOA-BDAKNGLRSA-N 1 0 225.292 -0.597 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000393748400 357295587 /nfs/dbraw/zinc/29/55/87/357295587.db2.gz OWKNQDDZLAHUOA-DTWKUNHWSA-N 1 0 225.292 -0.597 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000393748401 357295526 /nfs/dbraw/zinc/29/55/26/357295526.db2.gz OWKNQDDZLAHUOA-IUCAKERBSA-N 1 0 225.292 -0.597 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000393748402 345266221 /nfs/dbraw/zinc/26/62/21/345266221.db2.gz OWKNQDDZLAHUOA-RKDXNWHRSA-N 1 0 225.292 -0.597 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000393749426 487580315 /nfs/dbraw/zinc/58/03/15/487580315.db2.gz PXJBOPWTCFCFPS-DTWKUNHWSA-N 1 0 225.292 -0.468 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[NH2+]C(C)C ZINC000393750017 487580217 /nfs/dbraw/zinc/58/02/17/487580217.db2.gz QPPJDTUHUPLVHF-UHFFFAOYSA-N 1 0 213.281 -0.597 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC1([NH3+])CCC1 ZINC000393750579 410756945 /nfs/dbraw/zinc/75/69/45/410756945.db2.gz RCCDBOJQMAWVDO-UHFFFAOYSA-N 1 0 225.292 -0.324 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H](C)C[NH2+]C ZINC000393750854 357296644 /nfs/dbraw/zinc/29/66/44/357296644.db2.gz RHIHMSXANDOADF-MRVPVSSYSA-N 1 0 213.281 -0.740 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H](C)C[NH2+]C ZINC000393750855 357296451 /nfs/dbraw/zinc/29/64/51/357296451.db2.gz RHIHMSXANDOADF-QMMMGPOBSA-N 1 0 213.281 -0.740 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000393751752 387055612 /nfs/dbraw/zinc/05/56/12/387055612.db2.gz PFFUZDUHXOJIIY-GFCCVEGCSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000393751754 387056588 /nfs/dbraw/zinc/05/65/88/387056588.db2.gz PFFUZDUHXOJIIY-LBPRGKRZSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000393752001 323378268 /nfs/dbraw/zinc/37/82/68/323378268.db2.gz SMAZSGWMHBGSLW-LLVKDONJSA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000393752003 323378321 /nfs/dbraw/zinc/37/83/21/323378321.db2.gz SMAZSGWMHBGSLW-NSHDSACASA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCNC(=O)CNC(=O)C1([NH3+])CCC1 ZINC000393755282 357509364 /nfs/dbraw/zinc/50/93/64/357509364.db2.gz RZSPYHVREHMZQN-UHFFFAOYSA-N 1 0 211.265 -0.714 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000393758151 387142124 /nfs/dbraw/zinc/14/21/24/387142124.db2.gz ULODEVYATBVXHU-GFCCVEGCSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000393758152 387140708 /nfs/dbraw/zinc/14/07/08/387140708.db2.gz ULODEVYATBVXHU-LBPRGKRZSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC1CC[NH2+]CC1 ZINC000393759415 487689404 /nfs/dbraw/zinc/68/94/04/487689404.db2.gz VEIWFOSEUHZORO-UHFFFAOYSA-N 1 0 239.319 -0.206 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000393761854 357516360 /nfs/dbraw/zinc/51/63/60/357516360.db2.gz XRWWIHXOJBEMSS-JTQLQIEISA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000393761855 357297427 /nfs/dbraw/zinc/29/74/27/357297427.db2.gz XRWWIHXOJBEMSS-SNVBAGLBSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000393762172 711172245 /nfs/dbraw/zinc/17/22/45/711172245.db2.gz YEGZJGVTDXJRDV-SECBINFHSA-N 1 0 225.292 -0.468 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000393762174 711172400 /nfs/dbraw/zinc/17/24/00/711172400.db2.gz YEGZJGVTDXJRDV-VIFPVBQESA-N 1 0 225.292 -0.468 20 30 BBEDRO C=CCNC(=O)CNC(=O)C1([NH3+])CCCC1 ZINC000393762906 410761303 /nfs/dbraw/zinc/76/13/03/410761303.db2.gz ZAKCVACRBXQNFU-UHFFFAOYSA-N 1 0 225.292 -0.324 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000393763644 259475126 /nfs/dbraw/zinc/47/51/26/259475126.db2.gz ZQIHPCBBMWFEGD-NXEZZACHSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000393763648 387267585 /nfs/dbraw/zinc/26/75/85/387267585.db2.gz ZQIHPCBBMWFEGD-UWVGGRQHSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000393763650 387267058 /nfs/dbraw/zinc/26/70/58/387267058.db2.gz ZQIHPCBBMWFEGD-VHSXEESVSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000393763961 388440728 /nfs/dbraw/zinc/44/07/28/388440728.db2.gz ZQIHPCBBMWFEGD-ZJUUUORDSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC[NH2+]C(C)C ZINC000393765863 357297774 /nfs/dbraw/zinc/29/77/74/357297774.db2.gz GYOHWILVIVFBRN-UHFFFAOYSA-N 1 0 227.308 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000393772247 357298621 /nfs/dbraw/zinc/29/86/21/357298621.db2.gz KANOXFVNUVRMOY-SECBINFHSA-N 1 0 227.308 -0.222 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000393773561 343927042 /nfs/dbraw/zinc/92/70/42/343927042.db2.gz CRSGGMCVSBYNGM-SECBINFHSA-N 1 0 225.292 -0.453 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N(C)CCC[NH3+] ZINC000393778476 371526765 /nfs/dbraw/zinc/52/67/65/371526765.db2.gz ZVCRREVJECZEFD-UHFFFAOYSA-N 1 0 234.325 -0.643 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000393782716 411189232 /nfs/dbraw/zinc/18/92/32/411189232.db2.gz UFCHJYYCPHTVIR-JTQLQIEISA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000393785835 357299499 /nfs/dbraw/zinc/29/94/99/357299499.db2.gz UNHHBRZPADRBMW-MRVPVSSYSA-N 1 0 225.292 -0.455 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000393785836 357299393 /nfs/dbraw/zinc/29/93/93/357299393.db2.gz UNHHBRZPADRBMW-QMMMGPOBSA-N 1 0 225.292 -0.455 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000393795239 388442913 /nfs/dbraw/zinc/44/29/13/388442913.db2.gz GNIHYQSJXNHROF-SECBINFHSA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000393795240 388442784 /nfs/dbraw/zinc/44/27/84/388442784.db2.gz GNIHYQSJXNHROF-VIFPVBQESA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCOCCNC(=O)C[C@H](C[NH3+])OC ZINC000393800462 487584703 /nfs/dbraw/zinc/58/47/03/487584703.db2.gz RQZRWCMSSXQOIO-SECBINFHSA-N 1 0 216.281 -0.331 20 30 BBEDRO C=CCOCCNC(=O)C[C@@H](C[NH3+])OC ZINC000393800463 487584733 /nfs/dbraw/zinc/58/47/33/487584733.db2.gz RQZRWCMSSXQOIO-VIFPVBQESA-N 1 0 216.281 -0.331 20 30 BBEDRO C=CCNC(=O)CNC(=O)CCC(C)(C)[NH3+] ZINC000393812161 410760097 /nfs/dbraw/zinc/76/00/97/410760097.db2.gz XQRGIJZUHFDHGG-UHFFFAOYSA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000393819842 259393200 /nfs/dbraw/zinc/39/32/00/259393200.db2.gz JRKSRJXBRJQZDG-LLVKDONJSA-N 1 0 225.292 -0.596 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000393819843 259393252 /nfs/dbraw/zinc/39/32/52/259393252.db2.gz JRKSRJXBRJQZDG-NSHDSACASA-N 1 0 225.292 -0.596 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC[C@@H](C)[NH3+] ZINC000393820288 357302383 /nfs/dbraw/zinc/30/23/83/357302383.db2.gz KABIQSSBXMIOHV-MRVPVSSYSA-N 1 0 213.281 -0.468 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC[C@H](C)[NH3+] ZINC000393820293 357302226 /nfs/dbraw/zinc/30/22/26/357302226.db2.gz KABIQSSBXMIOHV-QMMMGPOBSA-N 1 0 213.281 -0.468 20 30 BBEDRO C=CCNC(=O)CNC(=O)C(C)(C)C[NH3+] ZINC000393832534 357302590 /nfs/dbraw/zinc/30/25/90/357302590.db2.gz XESVHSZFKLSFKV-UHFFFAOYSA-N 1 0 213.281 -0.610 20 30 BBEDRO C=CCNC(=O)CNC1=[NH+]CCCN1C ZINC000393835517 711177417 /nfs/dbraw/zinc/17/74/17/711177417.db2.gz JTOFMOQWZJHNLS-UHFFFAOYSA-N 1 0 210.281 -0.430 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000393860655 353974376 /nfs/dbraw/zinc/97/43/76/353974376.db2.gz HAJQOXLAVKNZEB-SECBINFHSA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000393860659 353975769 /nfs/dbraw/zinc/97/57/69/353975769.db2.gz HAJQOXLAVKNZEB-VIFPVBQESA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCNC(=O)C[NH2+]C1CCN(OC)CC1 ZINC000393873028 711679395 /nfs/dbraw/zinc/67/93/95/711679395.db2.gz CWSBHEHFCTVIAE-UHFFFAOYSA-N 1 0 227.308 -0.096 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000393882634 711178571 /nfs/dbraw/zinc/17/85/71/711178571.db2.gz NRRFJBJGDSDQGT-NXEZZACHSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000393882636 711178025 /nfs/dbraw/zinc/17/80/25/711178025.db2.gz NRRFJBJGDSDQGT-UWVGGRQHSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000393882638 711178308 /nfs/dbraw/zinc/17/83/08/711178308.db2.gz NRRFJBJGDSDQGT-VHSXEESVSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000393882639 711178303 /nfs/dbraw/zinc/17/83/03/711178303.db2.gz NRRFJBJGDSDQGT-ZJUUUORDSA-N 1 0 239.319 -0.065 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](O)CC1 ZINC000393918909 711179700 /nfs/dbraw/zinc/17/97/00/711179700.db2.gz GXGZYVONAMRHFS-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000393918911 711179063 /nfs/dbraw/zinc/17/90/63/711179063.db2.gz GXGZYVONAMRHFS-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC[N@@H+](C)CCCNCc1ncnn1C ZINC000393923151 711179516 /nfs/dbraw/zinc/17/95/16/711179516.db2.gz WULNGBONUYCLPE-UHFFFAOYSA-N 1 0 221.308 -0.140 20 30 BBEDRO C=CCCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000394072126 357322934 /nfs/dbraw/zinc/32/29/34/357322934.db2.gz LURNVTFOLDNKJH-JTQLQIEISA-N 1 0 211.309 -0.028 20 30 BBEDRO C=CCCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000394072127 357322914 /nfs/dbraw/zinc/32/29/14/357322914.db2.gz LURNVTFOLDNKJH-SNVBAGLBSA-N 1 0 211.309 -0.028 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(=O)[nH]n1 ZINC000394149543 384529073 /nfs/dbraw/zinc/52/90/73/384529073.db2.gz FTUAAXLFUOENIZ-UHFFFAOYSA-N 1 0 248.286 -0.133 20 30 BBEDRO N#Cc1cc(NC[C@H]2CN3CCN2CC3)ncn1 ZINC000394713262 412254022 /nfs/dbraw/zinc/25/40/22/412254022.db2.gz XCCPKSCLDUPETJ-NSHDSACASA-N 1 0 244.302 -0.240 20 30 BBEDRO Cc1nc(NC[C@H]2C[NH2+]CCN2C)ccc1C#N ZINC000394713923 411749589 /nfs/dbraw/zinc/74/95/89/411749589.db2.gz AEQZNQKIVLDGDW-GFCCVEGCSA-N 1 0 245.330 0.577 20 30 BBEDRO Cc1nc(NC[C@@H]2C[NH2+]CCN2C)ccc1C#N ZINC000394713924 411748597 /nfs/dbraw/zinc/74/85/97/411748597.db2.gz AEQZNQKIVLDGDW-LBPRGKRZSA-N 1 0 245.330 0.577 20 30 BBEDRO Cc1cc(C#N)nc(NC[C@H]2C[NH2+]CCN2C)n1 ZINC000394721503 412303378 /nfs/dbraw/zinc/30/33/78/412303378.db2.gz BYFKNEYFQKWBRU-LLVKDONJSA-N 1 0 246.318 -0.028 20 30 BBEDRO Cc1cc(C#N)nc(NC[C@@H]2C[NH2+]CCN2C)n1 ZINC000394721506 412301815 /nfs/dbraw/zinc/30/18/15/412301815.db2.gz BYFKNEYFQKWBRU-NSHDSACASA-N 1 0 246.318 -0.028 20 30 BBEDRO CN1CC[NH2+]C[C@@H]1CNc1ccc(C#N)cn1 ZINC000394745827 412253969 /nfs/dbraw/zinc/25/39/69/412253969.db2.gz WQFRCOIMIFCDMI-LLVKDONJSA-N 1 0 231.303 0.269 20 30 BBEDRO CN1CC[NH2+]C[C@H]1CNc1ccc(C#N)cn1 ZINC000394745828 412253775 /nfs/dbraw/zinc/25/37/75/412253775.db2.gz WQFRCOIMIFCDMI-NSHDSACASA-N 1 0 231.303 0.269 20 30 BBEDRO C=C[C@@H](NC[C@@H]1C[NH+]2CCN1CC2)C(=O)OC ZINC000394763268 342827070 /nfs/dbraw/zinc/82/70/70/342827070.db2.gz YEBFKIWFKWABCS-GHMZBOCLSA-N 1 0 239.319 -0.697 20 30 BBEDRO C=C[C@H](NC[C@@H]1C[NH+]2CCN1CC2)C(=O)OC ZINC000394763272 342827158 /nfs/dbraw/zinc/82/71/58/342827158.db2.gz YEBFKIWFKWABCS-MNOVXSKESA-N 1 0 239.319 -0.697 20 30 BBEDRO C=C[C@H](NC[C@H]1C[NH+]2CCN1CC2)C(=O)OC ZINC000394763274 342827081 /nfs/dbraw/zinc/82/70/81/342827081.db2.gz YEBFKIWFKWABCS-QWRGUYRKSA-N 1 0 239.319 -0.697 20 30 BBEDRO C=C[C@@H](NC[C@H]1C[NH+]2CCN1CC2)C(=O)OC ZINC000394763276 342827175 /nfs/dbraw/zinc/82/71/75/342827175.db2.gz YEBFKIWFKWABCS-WDEREUQCSA-N 1 0 239.319 -0.697 20 30 BBEDRO N#CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394810251 397952807 /nfs/dbraw/zinc/95/28/07/397952807.db2.gz RTQUBBWBNBJUFR-JTQLQIEISA-N 1 0 222.292 -0.594 20 30 BBEDRO N#CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394810252 397952714 /nfs/dbraw/zinc/95/27/14/397952714.db2.gz RTQUBBWBNBJUFR-SNVBAGLBSA-N 1 0 222.292 -0.594 20 30 BBEDRO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394822801 342843317 /nfs/dbraw/zinc/84/33/17/342843317.db2.gz YDYZYQLAICKJMV-GHMZBOCLSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[C@H](C#N)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394822804 342843324 /nfs/dbraw/zinc/84/33/24/342843324.db2.gz YDYZYQLAICKJMV-MNOVXSKESA-N 1 0 236.319 -0.348 20 30 BBEDRO C[C@@H](C#N)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394822807 342843182 /nfs/dbraw/zinc/84/31/82/342843182.db2.gz YDYZYQLAICKJMV-QWRGUYRKSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394822811 342843218 /nfs/dbraw/zinc/84/32/18/342843218.db2.gz YDYZYQLAICKJMV-WDEREUQCSA-N 1 0 236.319 -0.348 20 30 BBEDRO CCNC(NCc1cnnn1C)=[NH+]CC ZINC000395058506 711201287 /nfs/dbraw/zinc/20/12/87/711201287.db2.gz QPDGYACRNQZIDE-UHFFFAOYSA-N 1 0 210.285 -0.110 20 30 BBEDRO CNC(NCC(C)(C)OCCO)=[NH+]C ZINC000395104624 711202384 /nfs/dbraw/zinc/20/23/84/711202384.db2.gz KKUGTAKDJIMKHJ-UHFFFAOYSA-N 1 0 203.286 -0.431 20 30 BBEDRO CNC(NCCSCCCO)=[NH+]C ZINC000395160240 711203216 /nfs/dbraw/zinc/20/32/16/711203216.db2.gz QPHITQSQRXTNNN-UHFFFAOYSA-N 1 0 205.327 -0.103 20 30 BBEDRO CNC(NCCS(=O)(=O)C(C)C)=[NH+]C ZINC000395225687 711693094 /nfs/dbraw/zinc/69/30/94/711693094.db2.gz UIDAMOANZJUUSJ-UHFFFAOYSA-N 1 0 221.326 -0.396 20 30 BBEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395371089 386822389 /nfs/dbraw/zinc/82/23/89/386822389.db2.gz OVRFHWKNFOZWHH-NXEZZACHSA-N 1 0 201.266 -0.120 20 30 BBEDRO CCNC(NC[C@](C)(O)COC)=[NH+]CC ZINC000395591974 711213523 /nfs/dbraw/zinc/21/35/23/711213523.db2.gz JKIMZLMTDRNNTN-JTQLQIEISA-N 1 0 217.313 -0.041 20 30 BBEDRO CCNC(NC[C@@](C)(O)COC)=[NH+]CC ZINC000395591976 711212979 /nfs/dbraw/zinc/21/29/79/711212979.db2.gz JKIMZLMTDRNNTN-SNVBAGLBSA-N 1 0 217.313 -0.041 20 30 BBEDRO CCNC(NCC[C@@H](O)COC)=[NH+]CC ZINC000395656104 711214910 /nfs/dbraw/zinc/21/49/10/711214910.db2.gz BTJRQIXOKHKAGK-SECBINFHSA-N 1 0 217.313 -0.041 20 30 BBEDRO CCNC(NCC[C@H](O)COC)=[NH+]CC ZINC000395656105 711214722 /nfs/dbraw/zinc/21/47/22/711214722.db2.gz BTJRQIXOKHKAGK-VIFPVBQESA-N 1 0 217.313 -0.041 20 30 BBEDRO CCNC(NCC[S@@](C)=O)=[NH+]CC ZINC000395662262 711214182 /nfs/dbraw/zinc/21/41/82/711214182.db2.gz FLSABCMHJJCYHU-CYBMUJFWSA-N 1 0 205.327 -0.060 20 30 BBEDRO CCNC(NCC[S@](C)=O)=[NH+]CC ZINC000395662265 711214297 /nfs/dbraw/zinc/21/42/97/711214297.db2.gz FLSABCMHJJCYHU-ZDUSSCGKSA-N 1 0 205.327 -0.060 20 30 BBEDRO CCNC(NC[C@@]1(O)CCOC1)=[NH+]CC ZINC000395711247 711214338 /nfs/dbraw/zinc/21/43/38/711214338.db2.gz JMMUZKDZLASOBD-JTQLQIEISA-N 1 0 215.297 -0.287 20 30 BBEDRO CCNC(NC[C@]1(O)CCOC1)=[NH+]CC ZINC000395711248 711214775 /nfs/dbraw/zinc/21/47/75/711214775.db2.gz JMMUZKDZLASOBD-SNVBAGLBSA-N 1 0 215.297 -0.287 20 30 BBEDRO CCNC(NCCCOCCO)=[NH+]CC ZINC000395717678 711215591 /nfs/dbraw/zinc/21/55/91/711215591.db2.gz LIQYATGYVJMSAF-UHFFFAOYSA-N 1 0 217.313 -0.040 20 30 BBEDRO CCNC(NC[C@@H]1COCCO1)=[NH+]CC ZINC000395751898 711215896 /nfs/dbraw/zinc/21/58/96/711215896.db2.gz XDFAAEAIZBVJFU-SECBINFHSA-N 1 0 215.297 -0.023 20 30 BBEDRO CCNC(NC[C@H]1COCCO1)=[NH+]CC ZINC000395751900 711216011 /nfs/dbraw/zinc/21/60/11/711216011.db2.gz XDFAAEAIZBVJFU-VIFPVBQESA-N 1 0 215.297 -0.023 20 30 BBEDRO CCNC(NCc1nncn1C)=[NH+]CC ZINC000395763039 711697132 /nfs/dbraw/zinc/69/71/32/711697132.db2.gz FHHPBSKPFOUXMI-UHFFFAOYSA-N 1 0 210.285 -0.110 20 30 BBEDRO CCNC(NCCc1nnc[nH]1)=[NH+]CC ZINC000395782769 711215654 /nfs/dbraw/zinc/21/56/54/711215654.db2.gz QRKHLZRKZURRSN-UHFFFAOYSA-N 1 0 210.285 -0.078 20 30 BBEDRO CCNC(NCc1ncn(C)n1)=[NH+]CC ZINC000395784177 711215416 /nfs/dbraw/zinc/21/54/16/711215416.db2.gz RTDHSVLHCKXQOG-UHFFFAOYSA-N 1 0 210.285 -0.110 20 30 BBEDRO CCNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]CC ZINC000395798036 711215624 /nfs/dbraw/zinc/21/56/24/711215624.db2.gz CNBGWPHBGYDSPB-SECBINFHSA-N 1 0 247.364 -0.004 20 30 BBEDRO CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]CC ZINC000395798037 711216368 /nfs/dbraw/zinc/21/63/68/711216368.db2.gz CNBGWPHBGYDSPB-VIFPVBQESA-N 1 0 247.364 -0.004 20 30 BBEDRO CCNC(NCCCS(N)(=O)=O)=[NH+]CC ZINC000395856751 711217341 /nfs/dbraw/zinc/21/73/41/711217341.db2.gz RMSISYKUKDKFSR-UHFFFAOYSA-N 1 0 236.341 -0.760 20 30 BBEDRO CCNC(=O)CNC(NCC)=[NH+]CC ZINC000395928315 711217337 /nfs/dbraw/zinc/21/73/37/711217337.db2.gz XEIHFOHEHPEDGL-UHFFFAOYSA-N 1 0 200.286 -0.303 20 30 BBEDRO CCNC(NCCn1cncn1)=[NH+]CC ZINC000395947779 711699020 /nfs/dbraw/zinc/69/90/20/711699020.db2.gz DUSASAIFKXWMCD-UHFFFAOYSA-N 1 0 210.285 -0.147 20 30 BBEDRO CCNC(NC[C@@H](O)COC)=[NH+]CC ZINC000395974767 711218614 /nfs/dbraw/zinc/21/86/14/711218614.db2.gz OLXUERXUFYAQFW-MRVPVSSYSA-N 1 0 203.286 -0.431 20 30 BBEDRO CCNC(NC[C@H](O)COC)=[NH+]CC ZINC000395974769 711218689 /nfs/dbraw/zinc/21/86/89/711218689.db2.gz OLXUERXUFYAQFW-QMMMGPOBSA-N 1 0 203.286 -0.431 20 30 BBEDRO N#CCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000397237252 387110492 /nfs/dbraw/zinc/11/04/92/387110492.db2.gz PNGCHUZTHSFQPM-UHFFFAOYSA-N 1 0 224.264 -0.193 20 30 BBEDRO CCNC(NCC(=O)N(C)OC)=[NH+]CC ZINC000397533671 711385277 /nfs/dbraw/zinc/38/52/77/711385277.db2.gz MMWDIHUDXNDDRP-UHFFFAOYSA-N 1 0 216.285 -0.419 20 30 BBEDRO CNC(=O)CCCNC1=[NH+]CCCN1C ZINC000398100912 711400983 /nfs/dbraw/zinc/40/09/83/711400983.db2.gz ZGSRLMAHUVRPGJ-UHFFFAOYSA-N 1 0 212.297 -0.206 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC1([NH3+])CC1 ZINC000398118766 488211033 /nfs/dbraw/zinc/21/10/33/488211033.db2.gz FTLBJBXNCBXEPI-UHFFFAOYSA-N 1 0 211.265 -0.714 20 30 BBEDRO N#CCCN1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398155944 351012324 /nfs/dbraw/zinc/01/23/24/351012324.db2.gz UNPXIWRLPDGMPD-UHFFFAOYSA-N 1 0 236.319 -0.074 20 30 BBEDRO CCNC(NC[C@@H](C)S(N)(=O)=O)=[NH+]CC ZINC000398324107 711709984 /nfs/dbraw/zinc/70/99/84/711709984.db2.gz XRIKGKWXDMAOAD-SSDOTTSWSA-N 1 0 236.341 -0.762 20 30 BBEDRO CCNC(NC[C@H](C)S(N)(=O)=O)=[NH+]CC ZINC000398324109 711407603 /nfs/dbraw/zinc/40/76/03/711407603.db2.gz XRIKGKWXDMAOAD-ZETCQYMHSA-N 1 0 236.341 -0.762 20 30 BBEDRO CCNC(NC[C@H]1CNC(=O)C1)=[NH+]CC ZINC000398350420 711628541 /nfs/dbraw/zinc/62/85/41/711628541.db2.gz ZLUCFIBTPDAULQ-MRVPVSSYSA-N 1 0 212.297 -0.303 20 30 BBEDRO CCNC(NC[C@@H]1CNC(=O)C1)=[NH+]CC ZINC000398350421 711407696 /nfs/dbraw/zinc/40/76/96/711407696.db2.gz ZLUCFIBTPDAULQ-QMMMGPOBSA-N 1 0 212.297 -0.303 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398999819 357892666 /nfs/dbraw/zinc/89/26/66/357892666.db2.gz SCXYQFOZSFQLHO-JTQLQIEISA-N 1 0 225.292 -0.468 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398999820 357892544 /nfs/dbraw/zinc/89/25/44/357892544.db2.gz SCXYQFOZSFQLHO-SNVBAGLBSA-N 1 0 225.292 -0.468 20 30 BBEDRO C#CCNC(=O)CN1CCOC[C@@H](C)C1 ZINC000399031253 711418927 /nfs/dbraw/zinc/41/89/27/711418927.db2.gz KFECKXHAOSUQKY-JTQLQIEISA-N 1 0 210.277 -0.296 20 30 BBEDRO C#CCNC(=O)CN1CCOC[C@H](C)C1 ZINC000399031255 711419248 /nfs/dbraw/zinc/41/92/48/711419248.db2.gz KFECKXHAOSUQKY-SNVBAGLBSA-N 1 0 210.277 -0.296 20 30 BBEDRO Cc1cc(NC[C@H]2C[NH2+]CCN2C)c(C#N)cn1 ZINC000399082871 386198338 /nfs/dbraw/zinc/19/83/38/386198338.db2.gz QHCVZETVUXYQKT-GFCCVEGCSA-N 1 0 245.330 -0.001 20 30 BBEDRO Cc1cc(NC[C@@H]2C[NH2+]CCN2C)c(C#N)cn1 ZINC000399083532 386198542 /nfs/dbraw/zinc/19/85/42/386198542.db2.gz QHCVZETVUXYQKT-LBPRGKRZSA-N 1 0 245.330 -0.001 20 30 BBEDRO C=CCNC(=O)CNC(=O)C1(C)C[NH2+]C1 ZINC000399245541 357899775 /nfs/dbraw/zinc/89/97/75/357899775.db2.gz NMHUCKHHZCXULI-UHFFFAOYSA-N 1 0 211.265 -0.986 20 30 BBEDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)NCCC#N ZINC000399246317 711425696 /nfs/dbraw/zinc/42/56/96/711425696.db2.gz NPUWUVQHDBLVPM-NXEZZACHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)NCCC#N ZINC000399246321 711425974 /nfs/dbraw/zinc/42/59/74/711425974.db2.gz NPUWUVQHDBLVPM-ZJUUUORDSA-N 1 0 225.292 -0.139 20 30 BBEDRO CC1(C(=O)N2CCN(CCC#N)CC2)C[NH2+]C1 ZINC000399310351 355857904 /nfs/dbraw/zinc/85/79/04/355857904.db2.gz QYJRMURISDQPSE-UHFFFAOYSA-N 1 0 236.319 -0.346 20 30 BBEDRO C[C@@H]1CC[C@H](O)CN1CC(=O)NCC#N ZINC000399330635 711426963 /nfs/dbraw/zinc/42/69/63/711426963.db2.gz YERXZJYULMHOLC-BDAKNGLRSA-N 1 0 211.265 -0.529 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@H](O)CC[C@H]1C ZINC000399349042 711746972 /nfs/dbraw/zinc/74/69/72/711746972.db2.gz KVRRTTYSDCLHDN-NXEZZACHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399349047 711429577 /nfs/dbraw/zinc/42/95/77/711429577.db2.gz KVRRTTYSDCLHDN-ZJUUUORDSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000399595741 711755365 /nfs/dbraw/zinc/75/53/65/711755365.db2.gz NTFRQSPTHRCTAJ-JTQLQIEISA-N 1 0 210.277 -0.296 20 30 BBEDRO C#CCNC(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000399595743 711432637 /nfs/dbraw/zinc/43/26/37/711432637.db2.gz NTFRQSPTHRCTAJ-SNVBAGLBSA-N 1 0 210.277 -0.296 20 30 BBEDRO N#CCNC(=O)C[NH+]1CCC(CCO)CC1 ZINC000400930139 384380110 /nfs/dbraw/zinc/38/01/10/384380110.db2.gz OARSKHLENUEPRM-UHFFFAOYSA-N 1 0 225.292 -0.279 20 30 BBEDRO N#Cc1cncc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000401466155 369363723 /nfs/dbraw/zinc/36/37/23/369363723.db2.gz UZSWQNIBIGBGMQ-MBTKJCJQSA-N 1 0 201.233 -0.022 20 30 BBEDRO CN1CC[NH2+]C[C@H]1CNc1cncc(C#N)n1 ZINC000401482573 385368523 /nfs/dbraw/zinc/36/85/23/385368523.db2.gz RIXQIUGIMDLVJN-JTQLQIEISA-N 1 0 232.291 -0.336 20 30 BBEDRO CN1CC[NH2+]C[C@@H]1CNc1cncc(C#N)n1 ZINC000401482574 385369829 /nfs/dbraw/zinc/36/98/29/385369829.db2.gz RIXQIUGIMDLVJN-SNVBAGLBSA-N 1 0 232.291 -0.336 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401482994 527029628 /nfs/dbraw/zinc/02/96/28/527029628.db2.gz BBDASZOTWLOKND-GARJFASQSA-N 1 0 224.304 -0.173 20 30 BBEDRO N#Cc1cncc(N2CCC[N@@H+](CCO)CC2)n1 ZINC000401516396 346765975 /nfs/dbraw/zinc/76/59/75/346765975.db2.gz OPWKRARZUZVLNN-UHFFFAOYSA-N 1 0 247.302 -0.147 20 30 BBEDRO N#Cc1cncc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000401525907 346772775 /nfs/dbraw/zinc/77/27/75/346772775.db2.gz TZASDKCEVDAYGQ-SECBINFHSA-N 1 0 219.248 -0.251 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401750472 526542688 /nfs/dbraw/zinc/54/26/88/526542688.db2.gz PYQZWVUHKXXHQB-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@@](CO)(OC)C1 ZINC000401803506 488068909 /nfs/dbraw/zinc/06/89/09/488068909.db2.gz OWPCHJRDMMOOGM-GFCCVEGCSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@](CO)(OC)C1 ZINC000401803507 488068750 /nfs/dbraw/zinc/06/87/50/488068750.db2.gz OWPCHJRDMMOOGM-LBPRGKRZSA-N 1 0 242.319 -0.238 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401863443 527022271 /nfs/dbraw/zinc/02/22/71/527022271.db2.gz BBDASZOTWLOKND-HBNTYKKESA-N 1 0 224.304 -0.173 20 30 BBEDRO N#CCNC(=O)C[N@@H+](CCCO)C1CC1 ZINC000404322649 369426994 /nfs/dbraw/zinc/42/69/94/369426994.db2.gz KPDILZXZDZJIGB-UHFFFAOYSA-N 1 0 211.265 -0.527 20 30 BBEDRO C[C@H](C#N)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405232085 369449736 /nfs/dbraw/zinc/44/97/36/369449736.db2.gz BKXYPEQTKCURJA-KXUCPTDWSA-N 1 0 223.276 -0.577 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405244282 411420920 /nfs/dbraw/zinc/42/09/20/411420920.db2.gz GAEWSIDEKOVVJD-VHSXEESVSA-N 1 0 239.319 -0.078 20 30 BBEDRO CC[C@H](C#N)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405255351 369449916 /nfs/dbraw/zinc/44/99/16/369449916.db2.gz LZCQIAYFBBCUID-OUAUKWLOSA-N 1 0 237.303 -0.186 20 30 BBEDRO CC(C)(C#N)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405260407 369449950 /nfs/dbraw/zinc/44/99/50/369449950.db2.gz OKAQJSPGIRGVGU-VHSXEESVSA-N 1 0 237.303 -0.186 20 30 BBEDRO N#Cc1cncc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000405260688 369449020 /nfs/dbraw/zinc/44/90/20/369449020.db2.gz IVIOVOBJKGGLRO-WDEREUQCSA-N 1 0 245.286 -0.397 20 30 BBEDRO N#CC1(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000405273856 369451141 /nfs/dbraw/zinc/45/11/41/369451141.db2.gz WCDFHUNUQJRZBA-WDEREUQCSA-N 1 0 249.314 -0.042 20 30 BBEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000405276016 369451074 /nfs/dbraw/zinc/45/10/74/369451074.db2.gz AMPXSSMQXVCWJX-WDEREUQCSA-N 1 0 245.286 -0.397 20 30 BBEDRO C=CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405278849 487580119 /nfs/dbraw/zinc/58/01/19/487580119.db2.gz UIGYRGLPVCLOGS-VHSXEESVSA-N 1 0 225.292 -0.367 20 30 BBEDRO C=C[C@H](C(=O)OC)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405298015 352176434 /nfs/dbraw/zinc/17/64/34/352176434.db2.gz HBWQKWSREBFVPM-HBNTYKKESA-N 1 0 240.303 -0.535 20 30 BBEDRO N#CCCOCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405307555 352180029 /nfs/dbraw/zinc/18/00/29/352180029.db2.gz LNHCBRJNYQURNU-NWDGAFQWSA-N 1 0 239.319 -0.333 20 30 BBEDRO C=CCOCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405334381 411425253 /nfs/dbraw/zinc/42/52/53/411425253.db2.gz YFGBTTQGINQPGC-NWDGAFQWSA-N 1 0 226.320 -0.060 20 30 BBEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ncn1 ZINC000405382141 369458387 /nfs/dbraw/zinc/45/83/87/369458387.db2.gz JQCBMASNOVEJET-WDEREUQCSA-N 1 0 245.286 -0.397 20 30 BBEDRO N#Cc1cncnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405415325 369459618 /nfs/dbraw/zinc/45/96/18/369459618.db2.gz VXQSWCUKAFMHIY-WDEREUQCSA-N 1 0 245.286 -0.397 20 30 BBEDRO N#Cc1nccnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405424971 369459419 /nfs/dbraw/zinc/45/94/19/369459419.db2.gz YYSNSBWARSEUOA-VHSXEESVSA-N 1 0 245.286 -0.397 20 30 BBEDRO N#Cc1nccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000405425037 369460119 /nfs/dbraw/zinc/46/01/19/369460119.db2.gz ZBRPBTTXZFKEHA-VHSXEESVSA-N 1 0 245.286 -0.397 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405543263 411434577 /nfs/dbraw/zinc/43/45/77/411434577.db2.gz UKDWWRBRICFUIS-GHMZBOCLSA-N 1 0 241.335 -0.416 20 30 BBEDRO C=CCNC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405730675 411440023 /nfs/dbraw/zinc/44/00/23/411440023.db2.gz WTPHIOMSKMTFHW-WDEREUQCSA-N 1 0 239.319 -0.961 20 30 BBEDRO C[C@H]1COCCN(CC(=O)NCC#N)C1 ZINC000407981243 490269263 /nfs/dbraw/zinc/26/92/63/490269263.db2.gz SBAISHVWIKXCBU-SECBINFHSA-N 1 0 211.265 -0.406 20 30 BBEDRO C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1[NH+](C)C ZINC000408021589 136209153 /nfs/dbraw/zinc/20/91/53/136209153.db2.gz IPSCAXIUDCQEIP-NXEZZACHSA-N 1 0 224.308 -0.492 20 30 BBEDRO C[C@H]1CN(CC(=O)NCC#N)C[C@@H]1[NH+](C)C ZINC000408021591 136209064 /nfs/dbraw/zinc/20/90/64/136209064.db2.gz IPSCAXIUDCQEIP-UWVGGRQHSA-N 1 0 224.308 -0.492 20 30 BBEDRO C[C@H]1CN(CC(=O)NCC#N)C[C@H]1[NH+](C)C ZINC000408021593 397814519 /nfs/dbraw/zinc/81/45/19/397814519.db2.gz IPSCAXIUDCQEIP-VHSXEESVSA-N 1 0 224.308 -0.492 20 30 BBEDRO C[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1[NH+](C)C ZINC000408021596 397814490 /nfs/dbraw/zinc/81/44/90/397814490.db2.gz IPSCAXIUDCQEIP-ZJUUUORDSA-N 1 0 224.308 -0.492 20 30 BBEDRO N#CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408035193 385552348 /nfs/dbraw/zinc/55/23/48/385552348.db2.gz JNAOSTISVXHCRQ-SECBINFHSA-N 1 0 208.265 -0.984 20 30 BBEDRO N#CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408035194 385551871 /nfs/dbraw/zinc/55/18/71/385551871.db2.gz JNAOSTISVXHCRQ-VIFPVBQESA-N 1 0 208.265 -0.984 20 30 BBEDRO CO[C@H]1C[C@@H](C(N)=O)N(CC2(C#N)CC2)C1 ZINC000408036621 384594951 /nfs/dbraw/zinc/59/49/51/384594951.db2.gz VICLRLHFVVLNAS-IUCAKERBSA-N 1 0 223.276 -0.135 20 30 BBEDRO N#CC1(CN2CCC[C@](O)(C(N)=O)C2)CC1 ZINC000408046093 385025421 /nfs/dbraw/zinc/02/54/21/385025421.db2.gz AQXNSNMMAQBQEG-LLVKDONJSA-N 1 0 223.276 -0.398 20 30 BBEDRO CO[C@H]1C[C@@H](C(=O)NCCC#N)N(C)C1 ZINC000408049447 385188464 /nfs/dbraw/zinc/18/84/64/385188464.db2.gz ZRRIPKADTDWNKO-IUCAKERBSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[N@@H+]1CCN(CC(=O)NCC#N)C(C)(C)C1 ZINC000408054666 385280501 /nfs/dbraw/zinc/28/05/01/385280501.db2.gz NPCNBBFFDADUGZ-UHFFFAOYSA-N 1 0 224.308 -0.348 20 30 BBEDRO C[C@H](CN1CCOCC1)C(=O)NCC#N ZINC000408056950 384188510 /nfs/dbraw/zinc/18/85/10/384188510.db2.gz NVZUROSAVBJUKV-SECBINFHSA-N 1 0 211.265 -0.406 20 30 BBEDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CC#N)[C@@H]2C1 ZINC000408059293 385377889 /nfs/dbraw/zinc/37/78/89/385377889.db2.gz ATAQGFIQOFDPCU-NXEZZACHSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC#N)[C@H]2C1 ZINC000408059295 385377502 /nfs/dbraw/zinc/37/75/02/385377502.db2.gz ATAQGFIQOFDPCU-UWVGGRQHSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CC#N)[C@H]2C1 ZINC000408059297 385377372 /nfs/dbraw/zinc/37/73/72/385377372.db2.gz ATAQGFIQOFDPCU-VHSXEESVSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC#N)[C@@H]2C1 ZINC000408059299 384558597 /nfs/dbraw/zinc/55/85/97/384558597.db2.gz ATAQGFIQOFDPCU-ZJUUUORDSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)NCC#N ZINC000408070197 134386389 /nfs/dbraw/zinc/38/63/89/134386389.db2.gz MUQRZGKBXMKPAY-NXEZZACHSA-N 1 0 224.308 -0.349 20 30 BBEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)NCC#N ZINC000408070198 134385654 /nfs/dbraw/zinc/38/56/54/134385654.db2.gz MUQRZGKBXMKPAY-UWVGGRQHSA-N 1 0 224.308 -0.349 20 30 BBEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)NCC#N ZINC000408070199 134385692 /nfs/dbraw/zinc/38/56/92/134385692.db2.gz MUQRZGKBXMKPAY-VHSXEESVSA-N 1 0 224.308 -0.349 20 30 BBEDRO C[C@@H]1CN(CC(=O)NCC#N)[C@@H](C)C[N@@H+]1C ZINC000408070200 134386009 /nfs/dbraw/zinc/38/60/09/134386009.db2.gz MUQRZGKBXMKPAY-ZJUUUORDSA-N 1 0 224.308 -0.349 20 30 BBEDRO N#CCN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408099334 385422656 /nfs/dbraw/zinc/42/26/56/385422656.db2.gz KLZXASQCTLDBNA-UHFFFAOYSA-N 1 0 239.319 -0.331 20 30 BBEDRO C[C@@H]1CN(CC(=O)NCC#N)[C@@H](C)CO1 ZINC000408107878 134394321 /nfs/dbraw/zinc/39/43/21/134394321.db2.gz PZFLORHKAHUDIS-DTWKUNHWSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[C@H]1CN(CC(=O)NCC#N)[C@@H](C)CO1 ZINC000408107880 134394143 /nfs/dbraw/zinc/39/41/43/134394143.db2.gz PZFLORHKAHUDIS-IUCAKERBSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CC#N ZINC000408125066 134397797 /nfs/dbraw/zinc/39/77/97/134397797.db2.gz VPBHTADZZWCLQI-NXEZZACHSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[C@@H](C(=O)N(C)CC#N)N1CCN(C)CC1 ZINC000408146369 411130989 /nfs/dbraw/zinc/13/09/89/411130989.db2.gz ZHTJVXQCIUYOHG-JTQLQIEISA-N 1 0 224.308 -0.396 20 30 BBEDRO C[C@H](C(=O)N(C)CC#N)N1CCN(C)CC1 ZINC000408146370 411130964 /nfs/dbraw/zinc/13/09/64/411130964.db2.gz ZHTJVXQCIUYOHG-SNVBAGLBSA-N 1 0 224.308 -0.396 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CC#N)C1 ZINC000408157608 397952682 /nfs/dbraw/zinc/95/26/82/397952682.db2.gz DWHLPDGBGOFQAO-SECBINFHSA-N 1 0 223.276 -0.432 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CC#N)C1 ZINC000408157609 397952690 /nfs/dbraw/zinc/95/26/90/397952690.db2.gz DWHLPDGBGOFQAO-VIFPVBQESA-N 1 0 223.276 -0.432 20 30 BBEDRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CC#N)C1 ZINC000408158715 385576572 /nfs/dbraw/zinc/57/65/72/385576572.db2.gz MFBCCBHADNYWPO-UHFFFAOYSA-N 1 0 225.292 -0.186 20 30 BBEDRO CC[C@H](C(=O)N1CC(O)(CC#N)C1)[NH+](C)C ZINC000408158724 384574377 /nfs/dbraw/zinc/57/43/77/384574377.db2.gz MGRVUIPRKBDVHG-SECBINFHSA-N 1 0 225.292 -0.186 20 30 BBEDRO N#CCCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408185335 385640419 /nfs/dbraw/zinc/64/04/19/385640419.db2.gz CHBFAOTZFJOTAN-LLVKDONJSA-N 1 0 236.319 -0.204 20 30 BBEDRO N#CCCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408185336 384488199 /nfs/dbraw/zinc/48/81/99/384488199.db2.gz CHBFAOTZFJOTAN-NSHDSACASA-N 1 0 236.319 -0.204 20 30 BBEDRO C[NH+]1CCC(NS(=O)(=O)CCC#N)CC1 ZINC000408193143 385678183 /nfs/dbraw/zinc/67/81/83/385678183.db2.gz RDBPBOPTNBKLLO-UHFFFAOYSA-N 1 0 231.321 -0.086 20 30 BBEDRO C[C@H](O)CN1CCN(C(=O)CC#N)C[C@@H]1C ZINC000408227212 344264221 /nfs/dbraw/zinc/26/42/21/344264221.db2.gz ANEFIMCITIIYML-UWVGGRQHSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[C@@H](O)CN1CCN(C(=O)CC#N)C[C@@H]1C ZINC000408227214 344264317 /nfs/dbraw/zinc/26/43/17/344264317.db2.gz ANEFIMCITIIYML-VHSXEESVSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[C@H](O)CN1CCN(C(=O)CC#N)C[C@H]1C ZINC000408227216 344264189 /nfs/dbraw/zinc/26/41/89/344264189.db2.gz ANEFIMCITIIYML-ZJUUUORDSA-N 1 0 225.292 -0.186 20 30 BBEDRO CC[C@H](O)CN1CCN(C(=O)CC#N)CC1 ZINC000408228387 344736842 /nfs/dbraw/zinc/73/68/42/344736842.db2.gz HTTKOVGLVIZXME-JTQLQIEISA-N 1 0 225.292 -0.185 20 30 BBEDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)NCC#N ZINC000408281483 345033693 /nfs/dbraw/zinc/03/36/93/345033693.db2.gz OYSXUZDPRKFSBV-LLVKDONJSA-N 1 0 238.335 -0.102 20 30 BBEDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)NCC#N ZINC000408281486 345033196 /nfs/dbraw/zinc/03/31/96/345033196.db2.gz OYSXUZDPRKFSBV-NSHDSACASA-N 1 0 238.335 -0.102 20 30 BBEDRO C[NH+](C)C[C@@H]1CN(C(=O)CC#N)CCO1 ZINC000408323071 345156067 /nfs/dbraw/zinc/15/60/67/345156067.db2.gz XKWWUJPIRMRLRC-SECBINFHSA-N 1 0 211.265 -0.311 20 30 BBEDRO C[NH+](C)C[C@H]1CN(C(=O)CC#N)CCO1 ZINC000408323072 345156165 /nfs/dbraw/zinc/15/61/65/345156165.db2.gz XKWWUJPIRMRLRC-VIFPVBQESA-N 1 0 211.265 -0.311 20 30 BBEDRO CC[C@H](C(=O)N1CCN(CC#N)CC1)[NH+](C)C ZINC000408347439 386162216 /nfs/dbraw/zinc/16/22/16/386162216.db2.gz ZECKLNCCBRTXCJ-LLVKDONJSA-N 1 0 238.335 -0.006 20 30 BBEDRO CC[C@@H](C(=O)N1CCN(CC#N)CC1)[NH+](C)C ZINC000408347440 386162360 /nfs/dbraw/zinc/16/23/60/386162360.db2.gz ZECKLNCCBRTXCJ-NSHDSACASA-N 1 0 238.335 -0.006 20 30 BBEDRO C[NH+](C)C[C@H]1CN(C(=O)NCCC#N)CCO1 ZINC000408366526 386401567 /nfs/dbraw/zinc/40/15/67/386401567.db2.gz PHUJZRLQEONMNT-JTQLQIEISA-N 1 0 240.307 -0.128 20 30 BBEDRO C[NH+](C)C[C@@H]1CN(C(=O)NCCC#N)CCO1 ZINC000408366527 386400099 /nfs/dbraw/zinc/40/00/99/386400099.db2.gz PHUJZRLQEONMNT-SNVBAGLBSA-N 1 0 240.307 -0.128 20 30 BBEDRO CC1(C)CN(C(=O)Cn2cnc(C#N)n2)CC[NH2+]1 ZINC000408368335 386396327 /nfs/dbraw/zinc/39/63/27/386396327.db2.gz GKTIDPASJHTTSO-UHFFFAOYSA-N 1 0 248.290 -0.640 20 30 BBEDRO N#CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408370823 133478537 /nfs/dbraw/zinc/47/85/37/133478537.db2.gz QECASNKPUZSHTM-JTQLQIEISA-N 1 0 222.292 -0.594 20 30 BBEDRO N#CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408370824 385043450 /nfs/dbraw/zinc/04/34/50/385043450.db2.gz QECASNKPUZSHTM-SNVBAGLBSA-N 1 0 222.292 -0.594 20 30 BBEDRO N#CCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000408417690 136213824 /nfs/dbraw/zinc/21/38/24/136213824.db2.gz SCPWRVKOGIQDKX-UHFFFAOYSA-N 1 0 211.265 -0.261 20 30 BBEDRO C[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1CO ZINC000408426245 386574807 /nfs/dbraw/zinc/57/48/07/386574807.db2.gz SDPPZUVQRIUOOQ-UWVGGRQHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1CO ZINC000408426246 386576079 /nfs/dbraw/zinc/57/60/79/386576079.db2.gz SDPPZUVQRIUOOQ-ZJUUUORDSA-N 1 0 225.292 -0.281 20 30 BBEDRO CC[C@H](C(=O)N(CC#N)CC(=O)OC)[NH+](C)C ZINC000413475337 191387015 /nfs/dbraw/zinc/38/70/15/191387015.db2.gz CDIVXZYIJHEEJJ-SECBINFHSA-N 1 0 241.291 -0.148 20 30 BBEDRO CC[C@@H](C(=O)N(CC#N)CC(=O)OC)[NH+](C)C ZINC000413475343 191386475 /nfs/dbraw/zinc/38/64/75/191386475.db2.gz CDIVXZYIJHEEJJ-VIFPVBQESA-N 1 0 241.291 -0.148 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000413860615 385903610 /nfs/dbraw/zinc/90/36/10/385903610.db2.gz OVORRNZHLSSLTB-NXEZZACHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000413860616 385903064 /nfs/dbraw/zinc/90/30/64/385903064.db2.gz OVORRNZHLSSLTB-UWVGGRQHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000413860617 385902627 /nfs/dbraw/zinc/90/26/27/385902627.db2.gz OVORRNZHLSSLTB-VHSXEESVSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000413860618 385903188 /nfs/dbraw/zinc/90/31/88/385903188.db2.gz OVORRNZHLSSLTB-ZJUUUORDSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=CCSCCNC(=O)N(CC[NH3+])CCO ZINC000417342275 191789399 /nfs/dbraw/zinc/78/93/99/191789399.db2.gz MKTJAHPHZJIWLO-UHFFFAOYSA-N 1 0 247.364 -0.132 20 30 BBEDRO CC#CCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000418029817 387040427 /nfs/dbraw/zinc/04/04/27/387040427.db2.gz LVIGVOILCMXGDQ-UHFFFAOYSA-N 1 0 238.335 -0.396 20 30 BBEDRO CC#CCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418033139 191956206 /nfs/dbraw/zinc/95/62/06/191956206.db2.gz RDQXNCJFKHGLNC-MYJAWHEDSA-N 1 0 207.277 -0.083 20 30 BBEDRO CC#CCCNC(=O)NCC[NH2+]CCOC ZINC000418034300 387055082 /nfs/dbraw/zinc/05/50/82/387055082.db2.gz SPOFSUDEJSAQQH-UHFFFAOYSA-N 1 0 227.308 -0.065 20 30 BBEDRO CC#CCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418290828 192016558 /nfs/dbraw/zinc/01/65/58/192016558.db2.gz TVWSUCPLYAZLHJ-UHFFFAOYSA-N 1 0 238.335 -0.396 20 30 BBEDRO CC#CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000418294406 192019607 /nfs/dbraw/zinc/01/96/07/192019607.db2.gz HBVRJEATYJIELT-UHFFFAOYSA-N 1 0 224.308 -0.786 20 30 BBEDRO C=C(C)CNC(=O)NCCN1CC[NH2+]CC1 ZINC000418294624 192020163 /nfs/dbraw/zinc/02/01/63/192020163.db2.gz GNULUBFQIKJUEY-UHFFFAOYSA-N 1 0 226.324 -0.233 20 30 BBEDRO CC#CCN(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418295088 192020170 /nfs/dbraw/zinc/02/01/70/192020170.db2.gz IJEIYMZLXWXTCL-UHFFFAOYSA-N 1 0 238.335 -0.444 20 30 BBEDRO C=C[C@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418303439 387807964 /nfs/dbraw/zinc/80/79/64/387807964.db2.gz VSGIYVFDOTYUBV-JTQLQIEISA-N 1 0 226.324 -0.235 20 30 BBEDRO C=C[C@@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418303442 205995423 /nfs/dbraw/zinc/99/54/23/205995423.db2.gz VSGIYVFDOTYUBV-SNVBAGLBSA-N 1 0 226.324 -0.235 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418373450 192029797 /nfs/dbraw/zinc/02/97/97/192029797.db2.gz VBSZRHXQCZELRS-NXEZZACHSA-N 1 0 227.308 -0.025 20 30 BBEDRO C=C[C@@H](CO)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418373453 192029772 /nfs/dbraw/zinc/02/97/72/192029772.db2.gz VBSZRHXQCZELRS-UWVGGRQHSA-N 1 0 227.308 -0.025 20 30 BBEDRO C=C[C@@H](CO)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418373455 192029490 /nfs/dbraw/zinc/02/94/90/192029490.db2.gz VBSZRHXQCZELRS-VHSXEESVSA-N 1 0 227.308 -0.025 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418373457 192029775 /nfs/dbraw/zinc/02/97/75/192029775.db2.gz VBSZRHXQCZELRS-ZJUUUORDSA-N 1 0 227.308 -0.025 20 30 BBEDRO C=C[C@H](CO)NC(=O)NCC[NH2+]CCC ZINC000418489926 192041488 /nfs/dbraw/zinc/04/14/88/192041488.db2.gz PALNKHLZDPWZBS-SECBINFHSA-N 1 0 215.297 -0.168 20 30 BBEDRO C=C[C@@H](CO)NC(=O)NCC[NH2+]CCC ZINC000418489927 192041451 /nfs/dbraw/zinc/04/14/51/192041451.db2.gz PALNKHLZDPWZBS-VIFPVBQESA-N 1 0 215.297 -0.168 20 30 BBEDRO CC#CCNC(=O)NCC[NH2+]CCOC ZINC000418505046 192045020 /nfs/dbraw/zinc/04/50/20/192045020.db2.gz DFIXPHLGZXFNQL-UHFFFAOYSA-N 1 0 213.281 -0.455 20 30 BBEDRO CC#CCN(C)C(=O)NCC[NH2+]CCOC ZINC000418512166 192045398 /nfs/dbraw/zinc/04/53/98/192045398.db2.gz SOGIUMQKOHMYME-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418572771 192052002 /nfs/dbraw/zinc/05/20/02/192052002.db2.gz KQYJXWRMWVAPFO-AEJSXWLSSA-N 1 0 227.308 -0.170 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418572780 192052472 /nfs/dbraw/zinc/05/24/72/192052472.db2.gz KQYJXWRMWVAPFO-BBBLOLIVSA-N 1 0 227.308 -0.170 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418572786 192052300 /nfs/dbraw/zinc/05/23/00/192052300.db2.gz KQYJXWRMWVAPFO-IVZWLZJFSA-N 1 0 227.308 -0.170 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418572791 192052488 /nfs/dbraw/zinc/05/24/88/192052488.db2.gz KQYJXWRMWVAPFO-OPRDCNLKSA-N 1 0 227.308 -0.170 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000418580774 192053012 /nfs/dbraw/zinc/05/30/12/192053012.db2.gz XZBFAQCAEKUSDY-AEJSXWLSSA-N 1 0 227.308 -0.027 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000418580775 192052675 /nfs/dbraw/zinc/05/26/75/192052675.db2.gz XZBFAQCAEKUSDY-BBBLOLIVSA-N 1 0 227.308 -0.027 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000418580776 192052861 /nfs/dbraw/zinc/05/28/61/192052861.db2.gz XZBFAQCAEKUSDY-IVZWLZJFSA-N 1 0 227.308 -0.027 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000418580777 192052667 /nfs/dbraw/zinc/05/26/67/192052667.db2.gz XZBFAQCAEKUSDY-OPRDCNLKSA-N 1 0 227.308 -0.027 20 30 BBEDRO C=CCC[C@@H](CO)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418670327 192059580 /nfs/dbraw/zinc/05/95/80/192059580.db2.gz KYLPZLYCNOCCNI-UKKRHICBSA-N 1 0 239.319 -0.170 20 30 BBEDRO C=CCC[C@H](CO)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418670329 192059730 /nfs/dbraw/zinc/05/97/30/192059730.db2.gz KYLPZLYCNOCCNI-ZNSHCXBVSA-N 1 0 239.319 -0.170 20 30 BBEDRO C=C(C)CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418758848 192066507 /nfs/dbraw/zinc/06/65/07/192066507.db2.gz IUDAEPMWMNZNRI-JTQLQIEISA-N 1 0 226.324 -0.235 20 30 BBEDRO C=C(C)CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418758852 192066451 /nfs/dbraw/zinc/06/64/51/192066451.db2.gz IUDAEPMWMNZNRI-SNVBAGLBSA-N 1 0 226.324 -0.235 20 30 BBEDRO CC#CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418761200 192066890 /nfs/dbraw/zinc/06/68/90/192066890.db2.gz LCOZLLUGRZQOSX-JTQLQIEISA-N 1 0 224.308 -0.788 20 30 BBEDRO CC#CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418761207 192066372 /nfs/dbraw/zinc/06/63/72/192066372.db2.gz LCOZLLUGRZQOSX-SNVBAGLBSA-N 1 0 224.308 -0.788 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000418882996 192088415 /nfs/dbraw/zinc/08/84/15/192088415.db2.gz BECSRWHGRQSANV-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000418882998 192088227 /nfs/dbraw/zinc/08/82/27/192088227.db2.gz BECSRWHGRQSANV-SNVBAGLBSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)NCC[NH2+]CC ZINC000418883506 192088383 /nfs/dbraw/zinc/08/83/83/192088383.db2.gz CHXGYLGXGPRUFO-UHFFFAOYSA-N 1 0 227.308 -0.206 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000418883810 192088400 /nfs/dbraw/zinc/08/84/00/192088400.db2.gz CXIVGTBQUZHUJE-UHFFFAOYSA-N 1 0 225.292 -0.499 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418884774 192088272 /nfs/dbraw/zinc/08/82/72/192088272.db2.gz GONDCFWTIXAXAF-JTQLQIEISA-N 1 0 239.319 -0.063 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418884775 192088408 /nfs/dbraw/zinc/08/84/08/192088408.db2.gz GONDCFWTIXAXAF-SNVBAGLBSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418890091 192088790 /nfs/dbraw/zinc/08/87/90/192088790.db2.gz REBBPTPYQJGTIJ-JTQLQIEISA-N 1 0 239.319 -0.078 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418890092 192088899 /nfs/dbraw/zinc/08/88/99/192088899.db2.gz REBBPTPYQJGTIJ-SNVBAGLBSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418890536 192088948 /nfs/dbraw/zinc/08/89/48/192088948.db2.gz RVOBAQOLTYLQTI-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000418890537 192088925 /nfs/dbraw/zinc/08/89/25/192088925.db2.gz RVOBAQOLTYLQTI-SNVBAGLBSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418890850 387840190 /nfs/dbraw/zinc/84/01/90/387840190.db2.gz SNYQLGZRBCQFAU-JTQLQIEISA-N 1 0 239.319 -0.063 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418890851 387839993 /nfs/dbraw/zinc/83/99/93/387839993.db2.gz SNYQLGZRBCQFAU-SNVBAGLBSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418892939 192088728 /nfs/dbraw/zinc/08/87/28/192088728.db2.gz WRTORMPVNQFUNA-JTQLQIEISA-N 1 0 239.319 -0.078 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418892940 192088759 /nfs/dbraw/zinc/08/87/59/192088759.db2.gz WRTORMPVNQFUNA-SNVBAGLBSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418893529 192088613 /nfs/dbraw/zinc/08/86/13/192088613.db2.gz XTSQPCZVPILSAE-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418893530 192088671 /nfs/dbraw/zinc/08/86/71/192088671.db2.gz XTSQPCZVPILSAE-SNVBAGLBSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000418893579 192088515 /nfs/dbraw/zinc/08/85/15/192088515.db2.gz XYHKZMGODLROMP-UHFFFAOYSA-N 1 0 227.308 -0.078 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000418894165 192088850 /nfs/dbraw/zinc/08/88/50/192088850.db2.gz YULRIXKDIVCVLH-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000418894167 192088663 /nfs/dbraw/zinc/08/86/63/192088663.db2.gz YULRIXKDIVCVLH-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000418894169 192088574 /nfs/dbraw/zinc/08/85/74/192088574.db2.gz YULRIXKDIVCVLH-VHSXEESVSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000418894171 192088652 /nfs/dbraw/zinc/08/86/52/192088652.db2.gz YULRIXKDIVCVLH-ZJUUUORDSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000418894830 192088858 /nfs/dbraw/zinc/08/88/58/192088858.db2.gz ZVBFRMGPBOVOIG-UHFFFAOYSA-N 1 0 239.319 -0.109 20 30 BBEDRO C=CCCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419035862 192095980 /nfs/dbraw/zinc/09/59/80/192095980.db2.gz AQRIDMAUGKOETK-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419042184 192097989 /nfs/dbraw/zinc/09/79/89/192097989.db2.gz LBPWCYYKYDZVMG-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CCCCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419042185 192098095 /nfs/dbraw/zinc/09/80/95/192098095.db2.gz LBPWCYYKYDZVMG-SNVBAGLBSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419045515 192098702 /nfs/dbraw/zinc/09/87/02/192098702.db2.gz SLQATBRCAQGLLJ-SNVBAGLBSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419047546 192098601 /nfs/dbraw/zinc/09/86/01/192098601.db2.gz YJPLGLYIZYOAPI-JTQLQIEISA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419047547 192098570 /nfs/dbraw/zinc/09/85/70/192098570.db2.gz YJPLGLYIZYOAPI-SNVBAGLBSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419047834 192098441 /nfs/dbraw/zinc/09/84/41/192098441.db2.gz AJRJHANIGNDQIV-JTQLQIEISA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419047835 192098756 /nfs/dbraw/zinc/09/87/56/192098756.db2.gz AJRJHANIGNDQIV-SNVBAGLBSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCCCNC(=O)C(=O)NCC[NH2+]CC ZINC000419052857 192098488 /nfs/dbraw/zinc/09/84/88/192098488.db2.gz IFCWBETXUAJYPV-UHFFFAOYSA-N 1 0 227.308 -0.206 20 30 BBEDRO C=CCCCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419053641 192098468 /nfs/dbraw/zinc/09/84/68/192098468.db2.gz JRBOSGBTFVRHHZ-UHFFFAOYSA-N 1 0 225.292 -0.499 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419068134 192099124 /nfs/dbraw/zinc/09/91/24/192099124.db2.gz SLQATBRCAQGLLJ-JTQLQIEISA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCCCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419073468 192099212 /nfs/dbraw/zinc/09/92/12/192099212.db2.gz YLYJGSHVVILYIN-JTQLQIEISA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCCCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419073469 192099313 /nfs/dbraw/zinc/09/93/13/192099313.db2.gz YLYJGSHVVILYIN-SNVBAGLBSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419073481 192099108 /nfs/dbraw/zinc/09/91/08/192099108.db2.gz YNEIRHMQWSBLFW-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CCCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419073482 192099372 /nfs/dbraw/zinc/09/93/72/192099372.db2.gz YNEIRHMQWSBLFW-SNVBAGLBSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CC[C@H](CC)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419133427 192101086 /nfs/dbraw/zinc/10/10/86/192101086.db2.gz GSNVYYPPVFWROK-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CC[C@@H](CC)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419133428 192100689 /nfs/dbraw/zinc/10/06/89/192100689.db2.gz GSNVYYPPVFWROK-SNVBAGLBSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCC[NH3+] ZINC000419160241 192100950 /nfs/dbraw/zinc/10/09/50/192100950.db2.gz YQRLNKAIHDWIAY-SECBINFHSA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCC[NH3+] ZINC000419160243 192100892 /nfs/dbraw/zinc/10/08/92/192100892.db2.gz YQRLNKAIHDWIAY-VIFPVBQESA-N 1 0 227.308 -0.078 20 30 BBEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)NCC[NH3+] ZINC000419838457 192146895 /nfs/dbraw/zinc/14/68/95/192146895.db2.gz OQQNIXAKKPJGBG-SECBINFHSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=C[C@H]1CCCCN1C(=O)C(=O)NCC[NH3+] ZINC000419838458 192146629 /nfs/dbraw/zinc/14/66/29/192146629.db2.gz OQQNIXAKKPJGBG-VIFPVBQESA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CCCCCNC(=O)C(=O)NCCC[NH3+] ZINC000419839225 192146566 /nfs/dbraw/zinc/14/65/66/192146566.db2.gz PYZHLKBLFPZSHQ-UHFFFAOYSA-N 1 0 227.308 -0.076 20 30 BBEDRO C=CC1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419840004 192146880 /nfs/dbraw/zinc/14/68/80/192146880.db2.gz QXFBUWNTADMPHB-UHFFFAOYSA-N 1 0 239.319 -0.124 20 30 BBEDRO C=CCCCCNC(=O)C(=O)NCC[NH2+]C ZINC000419861846 192147672 /nfs/dbraw/zinc/14/76/72/192147672.db2.gz AINTZYJQQGXIKC-UHFFFAOYSA-N 1 0 227.308 -0.206 20 30 BBEDRO C=CCCCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419870716 192147229 /nfs/dbraw/zinc/14/72/29/192147229.db2.gz DMJQPDYXXGEICS-JTQLQIEISA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419870718 192147291 /nfs/dbraw/zinc/14/72/91/192147291.db2.gz DMJQPDYXXGEICS-SNVBAGLBSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CC1CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419880983 192148230 /nfs/dbraw/zinc/14/82/30/192148230.db2.gz VUCOGFIUCOIUIK-UHFFFAOYSA-N 1 0 239.319 -0.253 20 30 BBEDRO C=C[C@H]1CCCCN1C(=O)C(=O)NCC[NH2+]C ZINC000419882052 192147887 /nfs/dbraw/zinc/14/78/87/192147887.db2.gz XCLHKYJXCQSTSJ-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)NCC[NH2+]C ZINC000419882056 192148093 /nfs/dbraw/zinc/14/80/93/192148093.db2.gz XCLHKYJXCQSTSJ-SNVBAGLBSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)NCC[NH2+]CC ZINC000419884232 192148319 /nfs/dbraw/zinc/14/83/19/192148319.db2.gz FRWCDXZKKWOHBG-UHFFFAOYSA-N 1 0 239.319 -0.087 20 30 BBEDRO CC#CCCNC(=O)C(=O)NCC[NH2+]CCC ZINC000419911167 192148842 /nfs/dbraw/zinc/14/88/42/192148842.db2.gz RUQBATZHSPYWON-UHFFFAOYSA-N 1 0 239.319 -0.368 20 30 BBEDRO CC#CCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419977615 192154419 /nfs/dbraw/zinc/15/44/19/192154419.db2.gz NOHIQSVDPFSOOZ-JTQLQIEISA-N 1 0 239.319 -0.385 20 30 BBEDRO CC#CCCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419977616 192154200 /nfs/dbraw/zinc/15/42/00/192154200.db2.gz NOHIQSVDPFSOOZ-SNVBAGLBSA-N 1 0 239.319 -0.385 20 30 BBEDRO C=CCCCCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420018393 192153982 /nfs/dbraw/zinc/15/39/82/192153982.db2.gz XYXHSELUUJFGLB-SECBINFHSA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CC1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000420027346 192158640 /nfs/dbraw/zinc/15/86/40/192158640.db2.gz KXBNLGVFWYBIBC-SECBINFHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420027348 192158327 /nfs/dbraw/zinc/15/83/27/192158327.db2.gz KXBNLGVFWYBIBC-VIFPVBQESA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCCCCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420034705 192158667 /nfs/dbraw/zinc/15/86/67/192158667.db2.gz XYXHSELUUJFGLB-VIFPVBQESA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420329443 192229076 /nfs/dbraw/zinc/22/90/76/192229076.db2.gz GVWSMDIDNNOJNP-LLVKDONJSA-N 1 0 229.299 -0.078 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000420329444 192229770 /nfs/dbraw/zinc/22/97/70/192229770.db2.gz GVWSMDIDNNOJNP-NSHDSACASA-N 1 0 229.299 -0.078 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC[NH2+]C ZINC000420332359 192214126 /nfs/dbraw/zinc/21/41/26/192214126.db2.gz BZAVXFBDOKCAGD-SECBINFHSA-N 1 0 242.323 -0.462 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)N(C)CC[NH2+]C ZINC000420332360 192215264 /nfs/dbraw/zinc/21/52/64/192215264.db2.gz BZAVXFBDOKCAGD-VIFPVBQESA-N 1 0 242.323 -0.462 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000420456417 192242806 /nfs/dbraw/zinc/24/28/06/192242806.db2.gz AHXLAMROALJVCI-UHFFFAOYSA-N 1 0 246.336 -0.502 20 30 BBEDRO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000422985251 387795704 /nfs/dbraw/zinc/79/57/04/387795704.db2.gz CTBUNHLSRJNTRQ-UHFFFAOYSA-N 1 0 239.319 -0.157 20 30 BBEDRO C=CCCCN(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423353432 387205765 /nfs/dbraw/zinc/20/57/65/387205765.db2.gz DEJSSTOHZOYCGT-UHFFFAOYSA-N 1 0 239.319 -0.157 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423458797 387306457 /nfs/dbraw/zinc/30/64/57/387306457.db2.gz HLKLIPMQXGNJHA-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423458798 387306734 /nfs/dbraw/zinc/30/67/34/387306734.db2.gz HLKLIPMQXGNJHA-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCN(C(=O)C(=O)N1CC[NH2+]CC1)C1CC1 ZINC000423550650 387372325 /nfs/dbraw/zinc/37/23/25/387372325.db2.gz FRJIVCAYTFEUNV-UHFFFAOYSA-N 1 0 237.303 -0.405 20 30 BBEDRO C=C[C@H]1CCCCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423562731 387378178 /nfs/dbraw/zinc/37/81/78/387378178.db2.gz NCXAKSRPCZPZBM-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423562740 387378202 /nfs/dbraw/zinc/37/82/02/387378202.db2.gz NCXAKSRPCZPZBM-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000423614403 387387439 /nfs/dbraw/zinc/38/74/39/387387439.db2.gz XAHSEERKVFFZAR-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000423614404 387388244 /nfs/dbraw/zinc/38/82/44/387388244.db2.gz XAHSEERKVFFZAR-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423629554 387388902 /nfs/dbraw/zinc/38/89/02/387388902.db2.gz XPGVPYWZWPAWSO-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423629558 192819171 /nfs/dbraw/zinc/81/91/71/192819171.db2.gz XPGVPYWZWPAWSO-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO C=CCCn1cc(C(=O)N2CC[NH2+]CC2)nn1 ZINC000424057959 387471643 /nfs/dbraw/zinc/47/16/43/387471643.db2.gz KJFZAZJCMDXFBT-UHFFFAOYSA-N 1 0 235.291 -0.100 20 30 BBEDRO C=CCCn1cc(C(=O)N[C@@H]2CC[NH2+]C2)nn1 ZINC000424058447 192856781 /nfs/dbraw/zinc/85/67/81/192856781.db2.gz LAMJDMCWYUQUBD-SECBINFHSA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCCn1cc(C(=O)N[C@H]2CC[NH2+]C2)nn1 ZINC000424058454 387471894 /nfs/dbraw/zinc/47/18/94/387471894.db2.gz LAMJDMCWYUQUBD-VIFPVBQESA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCCn1cc(C(=O)NCC[NH3+])nn1 ZINC000424060100 192858122 /nfs/dbraw/zinc/85/81/22/192858122.db2.gz PFBJKMAXPFHONR-UHFFFAOYSA-N 1 0 209.253 -0.457 20 30 BBEDRO C=CCCn1cc(C(=O)NCCC[NH3+])nn1 ZINC000424063115 387473605 /nfs/dbraw/zinc/47/36/05/387473605.db2.gz XBFQAFYTTDJFQK-UHFFFAOYSA-N 1 0 223.280 -0.067 20 30 BBEDRO C=CCCn1cc(C(=O)NCC[NH2+]C)nn1 ZINC000424077773 192860443 /nfs/dbraw/zinc/86/04/43/192860443.db2.gz OUCAYGSTHKDADD-UHFFFAOYSA-N 1 0 223.280 -0.197 20 30 BBEDRO COC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424110182 387535995 /nfs/dbraw/zinc/53/59/95/387535995.db2.gz CECOTQMNISGGCF-BDAKNGLRSA-N 1 0 241.291 -0.067 20 30 BBEDRO COC(=O)[C@@H](C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424110184 387537230 /nfs/dbraw/zinc/53/72/30/387537230.db2.gz CECOTQMNISGGCF-DTWKUNHWSA-N 1 0 241.291 -0.067 20 30 BBEDRO COC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424110186 387536451 /nfs/dbraw/zinc/53/64/51/387536451.db2.gz CECOTQMNISGGCF-IUCAKERBSA-N 1 0 241.291 -0.067 20 30 BBEDRO COC(=O)[C@H](C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424110188 387536312 /nfs/dbraw/zinc/53/63/12/387536312.db2.gz CECOTQMNISGGCF-RKDXNWHRSA-N 1 0 241.291 -0.067 20 30 BBEDRO C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424116293 387558916 /nfs/dbraw/zinc/55/89/16/387558916.db2.gz XNAYPDOFALYSSH-BDAKNGLRSA-N 1 0 238.291 -0.646 20 30 BBEDRO C[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424116296 387559142 /nfs/dbraw/zinc/55/91/42/387559142.db2.gz XNAYPDOFALYSSH-DTWKUNHWSA-N 1 0 238.291 -0.646 20 30 BBEDRO C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424116297 387558354 /nfs/dbraw/zinc/55/83/54/387558354.db2.gz XNAYPDOFALYSSH-IUCAKERBSA-N 1 0 238.291 -0.646 20 30 BBEDRO C[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424116299 387558226 /nfs/dbraw/zinc/55/82/26/387558226.db2.gz XNAYPDOFALYSSH-RKDXNWHRSA-N 1 0 238.291 -0.646 20 30 BBEDRO CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424152696 387800307 /nfs/dbraw/zinc/80/03/07/387800307.db2.gz KACSKWXJMBNJIA-JTQLQIEISA-N 1 0 224.308 -0.218 20 30 BBEDRO CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424152698 387800134 /nfs/dbraw/zinc/80/01/34/387800134.db2.gz KACSKWXJMBNJIA-SNVBAGLBSA-N 1 0 224.308 -0.218 20 30 BBEDRO C=CCCn1cc(C(=O)N[C@H](C)C[NH3+])nn1 ZINC000424154755 200868980 /nfs/dbraw/zinc/86/89/80/200868980.db2.gz MUOIVOJHCVQKFZ-MRVPVSSYSA-N 1 0 223.280 -0.069 20 30 BBEDRO N#CCCC[C@@H]([NH3+])C(=O)NCC(F)(F)CN ZINC000424156728 387825053 /nfs/dbraw/zinc/82/50/53/387825053.db2.gz PZXJCRGFKKQFPW-SSDOTTSWSA-N 1 0 234.250 -0.282 20 30 BBEDRO N#CCCC[C@H]([NH3+])C(=O)NCC(F)(F)CN ZINC000424156732 387824445 /nfs/dbraw/zinc/82/44/45/387824445.db2.gz PZXJCRGFKKQFPW-ZETCQYMHSA-N 1 0 234.250 -0.282 20 30 BBEDRO C=CCCn1cc(C(=O)N[C@@H](C)C[NH3+])nn1 ZINC000424157204 200869692 /nfs/dbraw/zinc/86/96/92/200869692.db2.gz MUOIVOJHCVQKFZ-QMMMGPOBSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CCCn1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nn1 ZINC000424178971 517328489 /nfs/dbraw/zinc/32/84/89/517328489.db2.gz SBKMUIHJQGXFBH-JZYVYDRUSA-N 1 0 247.302 -0.198 20 30 BBEDRO C=CCCn1cc(C(=O)N(C)CC[NH3+])nn1 ZINC000424190241 200884149 /nfs/dbraw/zinc/88/41/49/200884149.db2.gz FRXXPVDFDIDNRT-UHFFFAOYSA-N 1 0 223.280 -0.115 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@@H]2CC[NH2+]C2)nn1 ZINC000424207028 398176793 /nfs/dbraw/zinc/17/67/93/398176793.db2.gz IGBIOFZOSUNIDO-SECBINFHSA-N 1 0 235.291 -0.310 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@H]2CC[NH2+]C2)nn1 ZINC000424207031 398176560 /nfs/dbraw/zinc/17/65/60/398176560.db2.gz IGBIOFZOSUNIDO-VIFPVBQESA-N 1 0 235.291 -0.310 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@H](C)C[NH2+]C)nn1 ZINC000424208684 387930228 /nfs/dbraw/zinc/93/02/28/387930228.db2.gz KGZAUTSXORFZGC-SECBINFHSA-N 1 0 237.307 -0.064 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@@H](C)C[NH2+]C)nn1 ZINC000424208686 387930402 /nfs/dbraw/zinc/93/04/02/387930402.db2.gz KGZAUTSXORFZGC-VIFPVBQESA-N 1 0 237.307 -0.064 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000424209141 387930198 /nfs/dbraw/zinc/93/01/98/387930198.db2.gz LFNOJSKVKKSHPW-GUBZILKMSA-N 1 0 228.292 -0.333 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000424209143 387930056 /nfs/dbraw/zinc/93/00/56/387930056.db2.gz LFNOJSKVKKSHPW-LPEHRKFASA-N 1 0 228.292 -0.333 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@@H]2CCC[NH2+]2)nn1 ZINC000424209152 387929773 /nfs/dbraw/zinc/92/97/73/387929773.db2.gz LGLGKZXWSSEESY-JTQLQIEISA-N 1 0 235.291 -0.168 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@H]2CCC[NH2+]2)nn1 ZINC000424209154 387930343 /nfs/dbraw/zinc/93/03/43/387930343.db2.gz LGLGKZXWSSEESY-SNVBAGLBSA-N 1 0 235.291 -0.168 20 30 BBEDRO C=CCn1cc(CNC(=O)C2([NH3+])CCC2)nn1 ZINC000424210283 387930076 /nfs/dbraw/zinc/93/00/76/387930076.db2.gz NJHCKPPEHUQZIX-UHFFFAOYSA-N 1 0 235.291 -0.038 20 30 BBEDRO C=CCn1cc(CNC2=[NH+]CCCN2)nn1 ZINC000424210972 490225724 /nfs/dbraw/zinc/22/57/24/490225724.db2.gz VYDPMUXSKFGTKW-UHFFFAOYSA-N 1 0 220.280 -0.097 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]([NH3+])COC ZINC000424212460 387931638 /nfs/dbraw/zinc/93/16/38/387931638.db2.gz PEMBHPQAZKUKLG-AEJSXWLSSA-N 1 0 228.292 -0.333 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])COC ZINC000424212461 387931545 /nfs/dbraw/zinc/93/15/45/387931545.db2.gz PEMBHPQAZKUKLG-GUBZILKMSA-N 1 0 228.292 -0.333 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[NH2+]CCOC ZINC000424212642 387930767 /nfs/dbraw/zinc/93/07/67/387930767.db2.gz PUGYGBIOPFUVKM-QWRGUYRKSA-N 1 0 242.319 -0.070 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000424212960 387931211 /nfs/dbraw/zinc/93/12/11/387931211.db2.gz RKXFIVVBOLCMTB-DCAQKATOSA-N 1 0 240.303 -0.318 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000424212961 387931510 /nfs/dbraw/zinc/93/15/10/387931510.db2.gz RKXFIVVBOLCMTB-GARJFASQSA-N 1 0 240.303 -0.318 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)COC1C[NH2+]C1 ZINC000424213137 387930938 /nfs/dbraw/zinc/93/09/38/387930938.db2.gz SCSJEMIZWKYBJI-ONGXEEELSA-N 1 0 240.303 -0.318 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@H]2C[C@H]2[NH3+])nn1 ZINC000424213426 387930858 /nfs/dbraw/zinc/93/08/58/387930858.db2.gz UMFKHJCWQCKZSF-DTWKUNHWSA-N 1 0 221.264 -0.573 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@@H]([NH3+])CC)nn1 ZINC000424214094 387933345 /nfs/dbraw/zinc/93/33/45/387933345.db2.gz WMUBJEBKKLMWRQ-VIFPVBQESA-N 1 0 223.280 -0.182 20 30 BBEDRO CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424216081 387932506 /nfs/dbraw/zinc/93/25/06/387932506.db2.gz HSYCPMJPXLOBEJ-DJLDLDEBSA-N 1 0 211.265 -0.231 20 30 BBEDRO CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424216087 200890543 /nfs/dbraw/zinc/89/05/43/200890543.db2.gz HSYCPMJPXLOBEJ-YIZRAAEISA-N 1 0 211.265 -0.231 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000424217491 387934545 /nfs/dbraw/zinc/93/45/45/387934545.db2.gz LVWFFDZANYPVIC-DTWKUNHWSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000424218054 387934985 /nfs/dbraw/zinc/93/49/85/387934985.db2.gz QERONUHZAXBTBX-AEJSXWLSSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424218055 200892711 /nfs/dbraw/zinc/89/27/11/200892711.db2.gz QERONUHZAXBTBX-IVZWLZJFSA-N 1 0 223.276 -0.217 20 30 BBEDRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424218437 387935703 /nfs/dbraw/zinc/93/57/03/387935703.db2.gz TZYCXDALUUBZJK-YIZRAAEISA-N 1 0 239.275 -0.315 20 30 BBEDRO COC[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424218591 387934285 /nfs/dbraw/zinc/93/42/85/387934285.db2.gz VDZNMWXASZLIDS-DJLDLDEBSA-N 1 0 211.265 -0.231 20 30 BBEDRO COC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424218592 387934803 /nfs/dbraw/zinc/93/48/03/387934803.db2.gz VDZNMWXASZLIDS-YIZRAAEISA-N 1 0 211.265 -0.231 20 30 BBEDRO C=CCn1cc(CNC(=O)NCC[NH2+]C)nn1 ZINC000424474227 388024480 /nfs/dbraw/zinc/02/44/80/388024480.db2.gz IFXHBQVGHFRMJR-UHFFFAOYSA-N 1 0 238.295 -0.517 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[NH3+] ZINC000424474785 200929073 /nfs/dbraw/zinc/92/90/73/200929073.db2.gz IYEURUPVFGIUMP-IUCAKERBSA-N 1 0 213.281 -0.165 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000424476472 388031797 /nfs/dbraw/zinc/03/17/97/388031797.db2.gz ZWJFZEYWCKCWCM-VHSXEESVSA-N 1 0 240.307 -0.359 20 30 BBEDRO C=CCn1cc(CNC(=O)N[C@H](C)C[NH3+])nn1 ZINC000424479852 388037568 /nfs/dbraw/zinc/03/75/68/388037568.db2.gz PAYWCGFXZVSWAY-MRVPVSSYSA-N 1 0 238.295 -0.390 20 30 BBEDRO C=CCn1cc(CNC(=O)N[C@@H](C)C[NH3+])nn1 ZINC000424479853 388037646 /nfs/dbraw/zinc/03/76/46/388037646.db2.gz PAYWCGFXZVSWAY-QMMMGPOBSA-N 1 0 238.295 -0.390 20 30 BBEDRO C=CCn1cc(CNC(=O)NCCC[NH3+])nn1 ZINC000424483961 388040849 /nfs/dbraw/zinc/04/08/49/388040849.db2.gz ZHZJGCHCEGKQGA-UHFFFAOYSA-N 1 0 238.295 -0.388 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000424526668 398189860 /nfs/dbraw/zinc/18/98/60/398189860.db2.gz SBFSUSWRSZGBGN-DTWKUNHWSA-N 1 0 238.291 -0.740 20 30 BBEDRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424540038 388109485 /nfs/dbraw/zinc/10/94/85/388109485.db2.gz FZVQUWIWWOESCR-HRDYMLBCSA-N 1 0 238.291 -0.742 20 30 BBEDRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424540040 388109542 /nfs/dbraw/zinc/10/95/42/388109542.db2.gz FZVQUWIWWOESCR-XHNCKOQMSA-N 1 0 238.291 -0.742 20 30 BBEDRO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424541514 398193006 /nfs/dbraw/zinc/19/30/06/398193006.db2.gz HIHCINDPRDNLSI-DTWKUNHWSA-N 1 0 238.291 -0.870 20 30 BBEDRO CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424550707 387130897 /nfs/dbraw/zinc/13/08/97/387130897.db2.gz UCIUWMDSUBRADA-DTWKUNHWSA-N 1 0 238.291 -0.788 20 30 BBEDRO C=CCn1cc(CNC(=O)C[NH+](C)C)nn1 ZINC000424908978 386211411 /nfs/dbraw/zinc/21/14/11/386211411.db2.gz RBZRLVNMRDUJBF-UHFFFAOYSA-N 1 0 223.280 -0.358 20 30 BBEDRO Cc1cc(NCC(=O)NCCO)c(C#N)cn1 ZINC000425247268 388701731 /nfs/dbraw/zinc/70/17/31/388701731.db2.gz ZHNKZGXFIRGYDV-UHFFFAOYSA-N 1 0 234.259 -0.796 20 30 BBEDRO N#Cc1ncn(CC(=O)NCC[NH+]2CCCC2)n1 ZINC000425952494 388708855 /nfs/dbraw/zinc/70/88/55/388708855.db2.gz SSOLHKVHXAQJPG-UHFFFAOYSA-N 1 0 248.290 -0.638 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCC#N)C1 ZINC000426412648 631725921 /nfs/dbraw/zinc/72/59/21/631725921.db2.gz UTUUPCHXXAIPTG-JTQLQIEISA-N 1 0 226.280 -0.734 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCC#N)C1 ZINC000426412650 631725454 /nfs/dbraw/zinc/72/54/54/631725454.db2.gz UTUUPCHXXAIPTG-SNVBAGLBSA-N 1 0 226.280 -0.734 20 30 BBEDRO COCC[N@H+](C)CCNC(=O)NCCC#N ZINC000426431942 711764473 /nfs/dbraw/zinc/76/44/73/711764473.db2.gz FYWZITPCEUNPON-UHFFFAOYSA-N 1 0 228.296 -0.223 20 30 BBEDRO C[NH+](C)CCOCCNC(=O)NCCC#N ZINC000426434663 711764368 /nfs/dbraw/zinc/76/43/68/711764368.db2.gz ZSTLCEJUWGPRTH-UHFFFAOYSA-N 1 0 228.296 -0.223 20 30 BBEDRO CC[N@H+](CCO)CCNC(=O)NCCC#N ZINC000426457112 636973348 /nfs/dbraw/zinc/97/33/48/636973348.db2.gz FGVMVYFQLRIGRA-UHFFFAOYSA-N 1 0 228.296 -0.487 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C#N)n1 ZINC000426743775 388711786 /nfs/dbraw/zinc/71/17/86/388711786.db2.gz OZMRLHVKRPCZHI-SECBINFHSA-N 1 0 248.290 -0.640 20 30 BBEDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C#N)n1 ZINC000426743776 388712527 /nfs/dbraw/zinc/71/25/27/388712527.db2.gz OZMRLHVKRPCZHI-VIFPVBQESA-N 1 0 248.290 -0.640 20 30 BBEDRO CC[N@H+](C)CCNC(=O)Cn1cnc(C#N)n1 ZINC000426769650 191006536 /nfs/dbraw/zinc/00/65/36/191006536.db2.gz KUKKBXQMIKGSDK-UHFFFAOYSA-N 1 0 236.279 -0.782 20 30 BBEDRO C=C[C@@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000426858240 191047013 /nfs/dbraw/zinc/04/70/13/191047013.db2.gz SHXAQMDXAMKBEY-JTQLQIEISA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000426858242 191047193 /nfs/dbraw/zinc/04/71/93/191047193.db2.gz SHXAQMDXAMKBEY-SNVBAGLBSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000426861606 191048117 /nfs/dbraw/zinc/04/81/17/191048117.db2.gz LFWXHZBDHSIYJK-AEJSXWLSSA-N 1 0 212.293 -0.153 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000426861607 191048290 /nfs/dbraw/zinc/04/82/90/191048290.db2.gz LFWXHZBDHSIYJK-BBBLOLIVSA-N 1 0 212.293 -0.153 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000426861608 191048162 /nfs/dbraw/zinc/04/81/62/191048162.db2.gz LFWXHZBDHSIYJK-IVZWLZJFSA-N 1 0 212.293 -0.153 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000426861609 191048201 /nfs/dbraw/zinc/04/82/01/191048201.db2.gz LFWXHZBDHSIYJK-OPRDCNLKSA-N 1 0 212.293 -0.153 20 30 BBEDRO C=CCOCC(=O)NCCN1CC[NH2+]CC1 ZINC000428653613 201030629 /nfs/dbraw/zinc/03/06/29/201030629.db2.gz YAMLEVXRYCRCLF-UHFFFAOYSA-N 1 0 227.308 -0.790 20 30 BBEDRO C=CCOCC(=O)NCCCN1CC[NH2+]CC1 ZINC000428772656 201041446 /nfs/dbraw/zinc/04/14/46/201041446.db2.gz NCKLEWKGEGFSJG-UHFFFAOYSA-N 1 0 241.335 -0.400 20 30 BBEDRO C[N@@H+]1CC[C@@]2(CCN(CC(=O)NCC#N)C2)C1 ZINC000429038350 201061240 /nfs/dbraw/zinc/06/12/40/201061240.db2.gz WOLGJECXQRMTET-GFCCVEGCSA-N 1 0 236.319 -0.346 20 30 BBEDRO C[N@@H+]1CC[C@]2(CCN(CC(=O)NCC#N)C2)C1 ZINC000429038353 201060341 /nfs/dbraw/zinc/06/03/41/201060341.db2.gz WOLGJECXQRMTET-LBPRGKRZSA-N 1 0 236.319 -0.346 20 30 BBEDRO COCC(C)(C)[N@H+](C)CC(=O)NCC#N ZINC000429248913 201083111 /nfs/dbraw/zinc/08/31/11/201083111.db2.gz XYMFHRSHMMBBIM-UHFFFAOYSA-N 1 0 213.281 -0.017 20 30 BBEDRO C[N@H+](CC(=O)NCC#N)C1(CO)CCC1 ZINC000429250755 201083557 /nfs/dbraw/zinc/08/35/57/201083557.db2.gz YTKSVSPTHZMRGT-UHFFFAOYSA-N 1 0 211.265 -0.527 20 30 BBEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)NC(N)=O ZINC000429726946 201128149 /nfs/dbraw/zinc/12/81/49/201128149.db2.gz RFKDIHZZUVKHAA-UHFFFAOYSA-N 1 0 242.323 -0.379 20 30 BBEDRO C=CCN(C(=O)C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000430286418 387608835 /nfs/dbraw/zinc/60/88/35/387608835.db2.gz UAKSZIXISFMKTA-SECBINFHSA-N 1 0 246.332 -0.593 20 30 BBEDRO C=CCN(C(=O)C[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000430286420 387609397 /nfs/dbraw/zinc/60/93/97/387609397.db2.gz UAKSZIXISFMKTA-VIFPVBQESA-N 1 0 246.332 -0.593 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]([NH3+])C1 ZINC000430610908 387634123 /nfs/dbraw/zinc/63/41/23/387634123.db2.gz MJQYYLYRBBFJEE-DTWKUNHWSA-N 1 0 240.307 -0.580 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]([NH3+])C1 ZINC000430610909 387633675 /nfs/dbraw/zinc/63/36/75/387633675.db2.gz MJQYYLYRBBFJEE-RKDXNWHRSA-N 1 0 240.307 -0.580 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H]([NH3+])C1 ZINC000430918282 387660222 /nfs/dbraw/zinc/66/02/22/387660222.db2.gz MJQYYLYRBBFJEE-BDAKNGLRSA-N 1 0 240.307 -0.580 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]([NH3+])C1 ZINC000430918283 387660900 /nfs/dbraw/zinc/66/09/00/387660900.db2.gz MJQYYLYRBBFJEE-IUCAKERBSA-N 1 0 240.307 -0.580 20 30 BBEDRO CC(C)OC[C@H](CO)N(C)CC(=O)NCC#N ZINC000433151783 387872056 /nfs/dbraw/zinc/87/20/56/387872056.db2.gz OQZRGUNAGJLKFB-JTQLQIEISA-N 1 0 243.307 -0.656 20 30 BBEDRO CC(C)OC[C@@H](CO)N(C)CC(=O)NCC#N ZINC000433151784 387872070 /nfs/dbraw/zinc/87/20/70/387872070.db2.gz OQZRGUNAGJLKFB-SNVBAGLBSA-N 1 0 243.307 -0.656 20 30 BBEDRO COC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCO1 ZINC000434786232 201242010 /nfs/dbraw/zinc/24/20/10/201242010.db2.gz QPVGYRSYXUCDSJ-NXEZZACHSA-N 1 0 241.291 -0.590 20 30 BBEDRO COC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCCO1 ZINC000434786236 201241409 /nfs/dbraw/zinc/24/14/09/201241409.db2.gz QPVGYRSYXUCDSJ-UWVGGRQHSA-N 1 0 241.291 -0.590 20 30 BBEDRO COC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCO1 ZINC000434786238 201241449 /nfs/dbraw/zinc/24/14/49/201241449.db2.gz QPVGYRSYXUCDSJ-VHSXEESVSA-N 1 0 241.291 -0.590 20 30 BBEDRO COC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCCO1 ZINC000434786240 201240677 /nfs/dbraw/zinc/24/06/77/201240677.db2.gz QPVGYRSYXUCDSJ-ZJUUUORDSA-N 1 0 241.291 -0.590 20 30 BBEDRO C=C(C)CS(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000435436958 201271636 /nfs/dbraw/zinc/27/16/36/201271636.db2.gz HPVGWRDIUOYEGJ-JTQLQIEISA-N 1 0 248.348 -0.452 20 30 BBEDRO C=C(C)CS(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000435436959 201271400 /nfs/dbraw/zinc/27/14/00/201271400.db2.gz HPVGWRDIUOYEGJ-SNVBAGLBSA-N 1 0 248.348 -0.452 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000440354822 201477982 /nfs/dbraw/zinc/47/79/82/201477982.db2.gz DSUBDOWIUXOTMV-SECBINFHSA-N 1 0 246.336 -0.582 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000440354824 388039785 /nfs/dbraw/zinc/03/97/85/388039785.db2.gz DSUBDOWIUXOTMV-VIFPVBQESA-N 1 0 246.336 -0.582 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000440403579 388041345 /nfs/dbraw/zinc/04/13/45/388041345.db2.gz CWYVFNZCTBKGPO-VIFPVBQESA-N 1 0 246.336 -0.500 20 30 BBEDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)N(C)CCC#N ZINC000440422024 388043409 /nfs/dbraw/zinc/04/34/09/388043409.db2.gz LPYKBIDPIVFYGR-SECBINFHSA-N 1 0 248.352 -0.350 20 30 BBEDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)N(C)CCC#N ZINC000440422175 388042986 /nfs/dbraw/zinc/04/29/86/388042986.db2.gz LPYKBIDPIVFYGR-VIFPVBQESA-N 1 0 248.352 -0.350 20 30 BBEDRO CCC[NH2+]CCNS(=O)(=O)N(C)CCC#N ZINC000440852170 387707895 /nfs/dbraw/zinc/70/78/95/387707895.db2.gz WQDPXGYVQJBFAG-UHFFFAOYSA-N 1 0 248.352 -0.334 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000441669060 397933078 /nfs/dbraw/zinc/93/30/78/397933078.db2.gz KQFBPEVXYAMURH-GHMZBOCLSA-N 1 0 237.303 -0.015 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441669062 397933271 /nfs/dbraw/zinc/93/32/71/397933271.db2.gz KQFBPEVXYAMURH-MNOVXSKESA-N 1 0 237.303 -0.015 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441669064 397933053 /nfs/dbraw/zinc/93/30/53/397933053.db2.gz KQFBPEVXYAMURH-QWRGUYRKSA-N 1 0 237.303 -0.015 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441669067 397932823 /nfs/dbraw/zinc/93/28/23/397932823.db2.gz KQFBPEVXYAMURH-WDEREUQCSA-N 1 0 237.303 -0.015 20 30 BBEDRO C=CCNC(=O)CN1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442662228 387818039 /nfs/dbraw/zinc/81/80/39/387818039.db2.gz PSXJAMBIPABAFE-LLVKDONJSA-N 1 0 240.351 -0.747 20 30 BBEDRO C=CCNC(=O)CN1CCN(C[C@H](C)[NH3+])CC1 ZINC000442662231 387817998 /nfs/dbraw/zinc/81/79/98/387817998.db2.gz PSXJAMBIPABAFE-NSHDSACASA-N 1 0 240.351 -0.747 20 30 BBEDRO C=CCNC(=O)C[N@@H+](CCO)C1CCOCC1 ZINC000444777499 387930902 /nfs/dbraw/zinc/93/09/02/387930902.db2.gz POCJWUWTSGECLT-UHFFFAOYSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446418848 388019797 /nfs/dbraw/zinc/01/97/97/388019797.db2.gz SJIVUFIBRYZSQL-JGVFFNPUSA-N 1 0 229.255 -0.895 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000447248630 201710685 /nfs/dbraw/zinc/71/06/85/201710685.db2.gz UPVLDDHQBMNJOL-SECBINFHSA-N 1 0 246.336 -0.596 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000447248632 201710273 /nfs/dbraw/zinc/71/02/73/201710273.db2.gz UPVLDDHQBMNJOL-VIFPVBQESA-N 1 0 246.336 -0.596 20 30 BBEDRO C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@H]1[NH3+] ZINC000447254711 388060303 /nfs/dbraw/zinc/06/03/03/388060303.db2.gz HOMXJMIZZUUGLE-BDAKNGLRSA-N 1 0 246.336 -0.644 20 30 BBEDRO C[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H]1[NH3+] ZINC000447254713 388059407 /nfs/dbraw/zinc/05/94/07/388059407.db2.gz HOMXJMIZZUUGLE-DTWKUNHWSA-N 1 0 246.336 -0.644 20 30 BBEDRO C[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@H]1[NH3+] ZINC000447254715 388060290 /nfs/dbraw/zinc/06/02/90/388060290.db2.gz HOMXJMIZZUUGLE-IUCAKERBSA-N 1 0 246.336 -0.644 20 30 BBEDRO C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H]1[NH3+] ZINC000447254716 388058631 /nfs/dbraw/zinc/05/86/31/388058631.db2.gz HOMXJMIZZUUGLE-RKDXNWHRSA-N 1 0 246.336 -0.644 20 30 BBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447914522 384021617 /nfs/dbraw/zinc/02/16/17/384021617.db2.gz LDEDHJZIQSWGPJ-AXFHLTTASA-N 1 0 242.319 -0.193 20 30 BBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447914523 322903109 /nfs/dbraw/zinc/90/31/09/322903109.db2.gz LDEDHJZIQSWGPJ-DCAQKATOSA-N 1 0 242.319 -0.193 20 30 BBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447914525 384020401 /nfs/dbraw/zinc/02/04/01/384020401.db2.gz LDEDHJZIQSWGPJ-GARJFASQSA-N 1 0 242.319 -0.193 20 30 BBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447914528 322903162 /nfs/dbraw/zinc/90/31/62/322903162.db2.gz LDEDHJZIQSWGPJ-HBNTYKKESA-N 1 0 242.319 -0.193 20 30 BBEDRO CC#CC[N@@H+](C)C[C@@H](O)COCCOC ZINC000451076388 202347492 /nfs/dbraw/zinc/34/74/92/202347492.db2.gz HHAMJGWSJHNEOA-LLVKDONJSA-N 1 0 215.293 -0.035 20 30 BBEDRO CC#CC[N@@H+](C)C[C@H](O)COCCOC ZINC000451076389 202348503 /nfs/dbraw/zinc/34/85/03/202348503.db2.gz HHAMJGWSJHNEOA-NSHDSACASA-N 1 0 215.293 -0.035 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(CC)C1COC1 ZINC000451291077 202398554 /nfs/dbraw/zinc/39/85/54/202398554.db2.gz ZHFJVYANFRUHJY-UHFFFAOYSA-N 1 0 241.291 -0.281 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCNS(=O)(=O)CC ZINC000451609912 388283879 /nfs/dbraw/zinc/28/38/79/388283879.db2.gz WWDXZHLMAZQPLD-ZJUUUORDSA-N 1 0 248.348 -0.141 20 30 BBEDRO C=CCC[C@H](CO)NC(=O)[C@H]1CN(C)CCO1 ZINC000456762494 388219113 /nfs/dbraw/zinc/21/91/13/388219113.db2.gz CBUMFHCBKAOOMA-GHMZBOCLSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCC[C@H](CO)NC(=O)[C@@H]1CN(C)CCO1 ZINC000456762496 388218957 /nfs/dbraw/zinc/21/89/57/388218957.db2.gz CBUMFHCBKAOOMA-MNOVXSKESA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCC[C@@H](CO)NC(=O)[C@@H]1CN(C)CCO1 ZINC000456762497 388219272 /nfs/dbraw/zinc/21/92/72/388219272.db2.gz CBUMFHCBKAOOMA-QWRGUYRKSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCC[C@@H](CO)NC(=O)[C@H]1CN(C)CCO1 ZINC000456762500 388219335 /nfs/dbraw/zinc/21/93/35/388219335.db2.gz CBUMFHCBKAOOMA-WDEREUQCSA-N 1 0 242.319 -0.240 20 30 BBEDRO CC#CC[N@H+](C)CCN1C(=O)N[C@H](C)C1=O ZINC000459488462 203289729 /nfs/dbraw/zinc/28/97/29/203289729.db2.gz OLDDFBFICMNFRU-SECBINFHSA-N 1 0 223.276 -0.118 20 30 BBEDRO CC#CC[N@H+](C)CCN1C(=O)N[C@@H](C)C1=O ZINC000459488463 203289011 /nfs/dbraw/zinc/28/90/11/203289011.db2.gz OLDDFBFICMNFRU-VIFPVBQESA-N 1 0 223.276 -0.118 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@]1(C#N)CCOC1 ZINC000487057388 534444323 /nfs/dbraw/zinc/44/43/23/534444323.db2.gz KRKINFIQENGANQ-CKYFFXLPSA-N 1 0 237.303 -0.017 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@]1(C#N)CCOC1 ZINC000487057389 534443703 /nfs/dbraw/zinc/44/37/03/534443703.db2.gz KRKINFIQENGANQ-FOGDFJRCSA-N 1 0 237.303 -0.017 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@]1(C#N)CCOC1 ZINC000487057390 534440276 /nfs/dbraw/zinc/44/02/76/534440276.db2.gz KRKINFIQENGANQ-JFGNBEQYSA-N 1 0 237.303 -0.017 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@]1(C#N)CCOC1 ZINC000487057391 534439698 /nfs/dbraw/zinc/43/96/98/534439698.db2.gz KRKINFIQENGANQ-SCVCMEIPSA-N 1 0 237.303 -0.017 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487228248 398022557 /nfs/dbraw/zinc/02/25/57/398022557.db2.gz DINJIWZPLIUABB-NXEZZACHSA-N 1 0 239.319 -0.398 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487228251 398022444 /nfs/dbraw/zinc/02/24/44/398022444.db2.gz DINJIWZPLIUABB-UWVGGRQHSA-N 1 0 239.319 -0.398 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487228252 398022663 /nfs/dbraw/zinc/02/26/63/398022663.db2.gz DINJIWZPLIUABB-VHSXEESVSA-N 1 0 239.319 -0.398 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487228253 398022600 /nfs/dbraw/zinc/02/26/00/398022600.db2.gz DINJIWZPLIUABB-ZJUUUORDSA-N 1 0 239.319 -0.398 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CC#N)C1 ZINC000487455980 534441193 /nfs/dbraw/zinc/44/11/93/534441193.db2.gz QDZQFLTYPKKLIK-NXEZZACHSA-N 1 0 237.303 -0.329 20 30 BBEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CC#N)C1 ZINC000487455982 533898873 /nfs/dbraw/zinc/89/88/73/533898873.db2.gz QDZQFLTYPKKLIK-UWVGGRQHSA-N 1 0 237.303 -0.329 20 30 BBEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CC#N)C1 ZINC000487455984 225305178 /nfs/dbraw/zinc/30/51/78/225305178.db2.gz QDZQFLTYPKKLIK-VHSXEESVSA-N 1 0 237.303 -0.329 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CC#N)C1 ZINC000487455985 225304632 /nfs/dbraw/zinc/30/46/32/225304632.db2.gz QDZQFLTYPKKLIK-ZJUUUORDSA-N 1 0 237.303 -0.329 20 30 BBEDRO CC(C)[C@H]1CN(CC(=O)NCC#N)CC[N@@H+]1C ZINC000488087468 527855402 /nfs/dbraw/zinc/85/54/02/527855402.db2.gz HEYOEHLFBJJOQC-LLVKDONJSA-N 1 0 238.335 -0.102 20 30 BBEDRO CC(C)[C@@H]1CN(CC(=O)NCC#N)CC[N@@H+]1C ZINC000488087469 528746856 /nfs/dbraw/zinc/74/68/56/528746856.db2.gz HEYOEHLFBJJOQC-NSHDSACASA-N 1 0 238.335 -0.102 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000489229255 388206263 /nfs/dbraw/zinc/20/62/63/388206263.db2.gz YSTGHCXQFJAORM-LLVKDONJSA-N 1 0 223.276 -0.527 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489229256 388205968 /nfs/dbraw/zinc/20/59/68/388205968.db2.gz YSTGHCXQFJAORM-NSHDSACASA-N 1 0 223.276 -0.527 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N(C)CC(N)=O)CC1 ZINC000490555656 388240320 /nfs/dbraw/zinc/24/03/20/388240320.db2.gz ILUWKDLZVNBJLZ-UHFFFAOYSA-N 1 0 237.303 -0.725 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)CO)CC1 ZINC000490574108 526928493 /nfs/dbraw/zinc/92/84/93/526928493.db2.gz DFYIASYEYHNBRK-JTQLQIEISA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)CO)CC1 ZINC000490574109 526930157 /nfs/dbraw/zinc/93/01/57/526930157.db2.gz DFYIASYEYHNBRK-SNVBAGLBSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N(C)CCO)CC1 ZINC000490574299 526915384 /nfs/dbraw/zinc/91/53/84/526915384.db2.gz NWZBEMCCAPDVNQ-UHFFFAOYSA-N 1 0 224.304 -0.218 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)NCCCO)CC1 ZINC000490574369 384219786 /nfs/dbraw/zinc/21/97/86/384219786.db2.gz RDZRDQXOGRHKKE-UHFFFAOYSA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000490618518 388242751 /nfs/dbraw/zinc/24/27/51/388242751.db2.gz WQBXQHRAIGKPOT-UHFFFAOYSA-N 1 0 235.331 -0.140 20 30 BBEDRO C#CCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000490627183 384278943 /nfs/dbraw/zinc/27/89/43/384278943.db2.gz AZDAKSQPHPSPOP-JTQLQIEISA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000490627186 384278047 /nfs/dbraw/zinc/27/80/47/384278047.db2.gz AZDAKSQPHPSPOP-SNVBAGLBSA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000490671139 527008982 /nfs/dbraw/zinc/00/89/82/527008982.db2.gz PXEFLAPABGNKIZ-UHFFFAOYSA-N 1 0 239.319 -0.282 20 30 BBEDRO C#CC[N@H+](CC#CC)CCCC(=O)NC(N)=O ZINC000490679043 388247699 /nfs/dbraw/zinc/24/76/99/388247699.db2.gz QLKVAWWZROKBBB-UHFFFAOYSA-N 1 0 235.287 -0.080 20 30 BBEDRO C#CC[N@H+](CC#CC)CCC(=O)NC(N)=O ZINC000490679161 388247490 /nfs/dbraw/zinc/24/74/90/388247490.db2.gz RFGMIEIVYQCYDR-UHFFFAOYSA-N 1 0 221.260 -0.470 20 30 BBEDRO C#CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000490680157 324155047 /nfs/dbraw/zinc/15/50/47/324155047.db2.gz XZWYJFFFKCFUHI-UHFFFAOYSA-N 1 0 225.292 -0.625 20 30 BBEDRO C#CC[N@H+](CC#CC)CCCN1C(=O)CNC1=O ZINC000490687570 388247524 /nfs/dbraw/zinc/24/75/24/388247524.db2.gz CLCXQJRCFBHJIV-UHFFFAOYSA-N 1 0 247.298 -0.113 20 30 BBEDRO C#CCN(CC#CC)CCCS(=O)(=O)NC ZINC000490699277 388248210 /nfs/dbraw/zinc/24/82/10/388248210.db2.gz QDDLVFBYJBJABN-UHFFFAOYSA-N 1 0 242.344 -0.116 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)NOCCO)CC1 ZINC000490739361 526928721 /nfs/dbraw/zinc/92/87/21/526928721.db2.gz HYFQYQQWMOECQZ-UHFFFAOYSA-N 1 0 226.276 -0.628 20 30 BBEDRO C#CC[N@@H+](CC)C[C@@H](O)CN1CCOCC1 ZINC000490739922 388250047 /nfs/dbraw/zinc/25/00/47/388250047.db2.gz HVWSAIBIFDFPJN-GFCCVEGCSA-N 1 0 226.320 -0.365 20 30 BBEDRO C#CC[N@@H+](CC)C[C@H](O)CN1CCOCC1 ZINC000490739923 388250722 /nfs/dbraw/zinc/25/07/22/388250722.db2.gz HVWSAIBIFDFPJN-LBPRGKRZSA-N 1 0 226.320 -0.365 20 30 BBEDRO C#CCN1CCN(C(=O)C[N@@H+](C)C2CC2)CC1 ZINC000490740417 388251800 /nfs/dbraw/zinc/25/18/00/388251800.db2.gz LHDFTGNFHIVMRQ-UHFFFAOYSA-N 1 0 235.331 -0.142 20 30 BBEDRO C#CCNS(=O)(=O)CC[NH+]1CCCC1 ZINC000490740684 388251849 /nfs/dbraw/zinc/25/18/49/388251849.db2.gz MNOCXDVVFBXNEW-UHFFFAOYSA-N 1 0 216.306 -0.365 20 30 BBEDRO C#CC[N@H+](CC)CCCS(=O)(=O)NC ZINC000490740879 388252216 /nfs/dbraw/zinc/25/22/16/388252216.db2.gz ONTVFVCELPYPCY-UHFFFAOYSA-N 1 0 218.322 -0.119 20 30 BBEDRO C#CC[N@H+](CC)CCC(=O)N(C)CC(=O)OC ZINC000490741324 384368019 /nfs/dbraw/zinc/36/80/19/384368019.db2.gz QNICMBIDXGZGEG-UHFFFAOYSA-N 1 0 240.303 -0.037 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](O)C2)CC1 ZINC000490741475 384372916 /nfs/dbraw/zinc/37/29/16/384372916.db2.gz RZCQIAUZHRQWFC-GFCCVEGCSA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CCN1CCN(C(=O)Cn2cc(C)cn2)CC1 ZINC000490759283 388252641 /nfs/dbraw/zinc/25/26/41/388252641.db2.gz BESGTQGAMZFBID-UHFFFAOYSA-N 1 0 246.314 -0.031 20 30 BBEDRO C#CCN(CC)CCNS(=O)(=O)CC ZINC000490760299 388252720 /nfs/dbraw/zinc/25/27/20/388252720.db2.gz KWFIPBVJLGKJNZ-UHFFFAOYSA-N 1 0 218.322 -0.119 20 30 BBEDRO C#CCN(CC)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000490780639 388254507 /nfs/dbraw/zinc/25/45/07/388254507.db2.gz NEPFYDIPZFHIKA-JTQLQIEISA-N 1 0 239.319 -0.466 20 30 BBEDRO C#CCN(CC)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000490780640 388254034 /nfs/dbraw/zinc/25/40/34/388254034.db2.gz NEPFYDIPZFHIKA-SNVBAGLBSA-N 1 0 239.319 -0.466 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](O)C2)CC1 ZINC000490780829 388254420 /nfs/dbraw/zinc/25/44/20/388254420.db2.gz RZCQIAUZHRQWFC-LBPRGKRZSA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CCN(CC#CC)C(=O)[C@H]1CN(C)CCO1 ZINC000490781454 388254331 /nfs/dbraw/zinc/25/43/31/388254331.db2.gz ZQGCWQHKUOICCV-GFCCVEGCSA-N 1 0 234.299 -0.198 20 30 BBEDRO C#CCN(CC#CC)C(=O)[C@@H]1CN(C)CCO1 ZINC000490781468 388254207 /nfs/dbraw/zinc/25/42/07/388254207.db2.gz ZQGCWQHKUOICCV-LBPRGKRZSA-N 1 0 234.299 -0.198 20 30 BBEDRO C#CC[N@H+](CC#CC)CCC(=O)NC(=O)NC ZINC000490866173 388257017 /nfs/dbraw/zinc/25/70/17/388257017.db2.gz NRKKFBNEZVWBQQ-UHFFFAOYSA-N 1 0 235.287 -0.209 20 30 BBEDRO C#CCN(CC)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000490892547 388258057 /nfs/dbraw/zinc/25/80/57/388258057.db2.gz LRFHUBVHKKPXFI-GFCCVEGCSA-N 1 0 235.331 -0.142 20 30 BBEDRO C#CCN(CC)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000490892548 388258153 /nfs/dbraw/zinc/25/81/53/388258153.db2.gz LRFHUBVHKKPXFI-LBPRGKRZSA-N 1 0 235.331 -0.142 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)O)CC1 ZINC000490892789 388257942 /nfs/dbraw/zinc/25/79/42/388257942.db2.gz OSDPKQSYZOIAKH-SNVBAGLBSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)OCCO)CC1 ZINC000490897698 388259236 /nfs/dbraw/zinc/25/92/36/388259236.db2.gz DSIOGMIPBQQQRP-UHFFFAOYSA-N 1 0 211.261 -0.133 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1CCN2C(=O)CC[C@@H]2C1 ZINC000490899347 388259211 /nfs/dbraw/zinc/25/92/11/388259211.db2.gz OMJGNVSWGJOBDW-GHMZBOCLSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1CCN2C(=O)CC[C@H]2C1 ZINC000490899348 388258668 /nfs/dbraw/zinc/25/86/68/388258668.db2.gz OMJGNVSWGJOBDW-MNOVXSKESA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1CCN2C(=O)CC[C@H]2C1 ZINC000490899349 388258604 /nfs/dbraw/zinc/25/86/04/388258604.db2.gz OMJGNVSWGJOBDW-QWRGUYRKSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1CCN2C(=O)CC[C@@H]2C1 ZINC000490899350 388258712 /nfs/dbraw/zinc/25/87/12/388258712.db2.gz OMJGNVSWGJOBDW-WDEREUQCSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](C)O)CC1 ZINC000490899387 388258715 /nfs/dbraw/zinc/25/87/15/388258715.db2.gz OSDPKQSYZOIAKH-JTQLQIEISA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCN(CC#CC)CC(=O)N1CCN(C)CC1 ZINC000490921937 388260611 /nfs/dbraw/zinc/26/06/11/388260611.db2.gz AYTYSTATQLRQCQ-UHFFFAOYSA-N 1 0 247.342 -0.281 20 30 BBEDRO C#CCN1CCN(C(=O)Cn2ccnc2C)CC1 ZINC000490923171 388260258 /nfs/dbraw/zinc/26/02/58/388260258.db2.gz IVGOUNUQKNKSMT-UHFFFAOYSA-N 1 0 246.314 -0.031 20 30 BBEDRO C#CCN(CC)CC(=O)N1CCN(C)CC1 ZINC000490925692 388260245 /nfs/dbraw/zinc/26/02/45/388260245.db2.gz XLVMTYNYMFTANT-UHFFFAOYSA-N 1 0 223.320 -0.285 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CNC(=O)C2)CC1 ZINC000490935176 526932197 /nfs/dbraw/zinc/93/21/97/526932197.db2.gz LNXSNBSMPZYITP-LLVKDONJSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CNC(=O)C2)CC1 ZINC000490935180 384513918 /nfs/dbraw/zinc/51/39/18/384513918.db2.gz LNXSNBSMPZYITP-NSHDSACASA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2CC(=O)N(C)C2)CC1 ZINC000490948687 388261239 /nfs/dbraw/zinc/26/12/39/388261239.db2.gz GPCKHYXZFCTGQO-UHFFFAOYSA-N 1 0 249.314 -0.410 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C1CC(O)C1 ZINC000490948729 388261061 /nfs/dbraw/zinc/26/10/61/388261061.db2.gz GTWNGNOMSUPEGC-IDKOKCKLSA-N 1 0 210.277 -0.421 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C1CC(O)C1 ZINC000490948730 388261331 /nfs/dbraw/zinc/26/13/31/388261331.db2.gz GTWNGNOMSUPEGC-XNWIYYODSA-N 1 0 210.277 -0.421 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1(O)CCC1 ZINC000490950853 388261898 /nfs/dbraw/zinc/26/18/98/388261898.db2.gz UDVQZRDISWZIBQ-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1(O)CCC1 ZINC000490950854 527016489 /nfs/dbraw/zinc/01/64/89/527016489.db2.gz UDVQZRDISWZIBQ-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCN(CC#N)C(=O)CN1CC[NH+](CC)CC1 ZINC000490963647 388262388 /nfs/dbraw/zinc/26/23/88/388262388.db2.gz WWBQYJPORLGXSQ-UHFFFAOYSA-N 1 0 248.330 -0.391 20 30 BBEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CNC(C)=O ZINC000490986997 388263784 /nfs/dbraw/zinc/26/37/84/388263784.db2.gz WMWIADZLUNMRNC-LLVKDONJSA-N 1 0 238.287 -0.237 20 30 BBEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CNC(C)=O ZINC000490986998 388263646 /nfs/dbraw/zinc/26/36/46/388263646.db2.gz WMWIADZLUNMRNC-NSHDSACASA-N 1 0 238.287 -0.237 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2CC(C)(O)C2)CC1 ZINC000491036692 384723149 /nfs/dbraw/zinc/72/31/49/384723149.db2.gz ALNAJNHKGMIAAD-UHFFFAOYSA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CC[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000491039570 388266868 /nfs/dbraw/zinc/26/68/68/388266868.db2.gz PLKWHMKPXVGPJS-GFCCVEGCSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CC[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000491039572 526936532 /nfs/dbraw/zinc/93/65/32/526936532.db2.gz PLKWHMKPXVGPJS-LBPRGKRZSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCNC(=O)NCCOCC[NH+](C)C ZINC000491046843 527010747 /nfs/dbraw/zinc/01/07/47/527010747.db2.gz RKJMIFORZNQZPK-UHFFFAOYSA-N 1 0 213.281 -0.503 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CC)C1 ZINC000491048092 527028386 /nfs/dbraw/zinc/02/83/86/527028386.db2.gz WXBUXEDBUSQLAX-CMPLNLGQSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CC)C1 ZINC000491048094 527028409 /nfs/dbraw/zinc/02/84/09/527028409.db2.gz WXBUXEDBUSQLAX-JQWIXIFHSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CC)C1 ZINC000491048097 527020900 /nfs/dbraw/zinc/02/09/00/527020900.db2.gz WXBUXEDBUSQLAX-PWSUYJOCSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CC)C1 ZINC000491048101 527021406 /nfs/dbraw/zinc/02/14/06/527021406.db2.gz WXBUXEDBUSQLAX-ZYHUDNBSSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000491066911 526974323 /nfs/dbraw/zinc/97/43/23/526974323.db2.gz FLQWASHDLAALOY-GFCCVEGCSA-N 1 0 240.303 -0.791 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000491066914 526974052 /nfs/dbraw/zinc/97/40/52/526974052.db2.gz FLQWASHDLAALOY-LBPRGKRZSA-N 1 0 240.303 -0.791 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@](O)(CC)C1 ZINC000491067173 384799800 /nfs/dbraw/zinc/79/98/00/384799800.db2.gz GVQYOGRPXHNOAY-GFCCVEGCSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@](O)(CC)C1 ZINC000491067174 384799295 /nfs/dbraw/zinc/79/92/95/384799295.db2.gz GVQYOGRPXHNOAY-LBPRGKRZSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCCOCC1 ZINC000491067194 384799937 /nfs/dbraw/zinc/79/99/37/384799937.db2.gz GWQLKJBIPRPFPT-UHFFFAOYSA-N 1 0 210.277 -0.152 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000491067933 526980382 /nfs/dbraw/zinc/98/03/82/526980382.db2.gz LNDDJRJTOIMLSH-PHIMTYICSA-N 1 0 238.287 -0.775 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](OC)C1 ZINC000491068256 488030052 /nfs/dbraw/zinc/03/00/52/488030052.db2.gz NGVOAOQBSIZYID-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000491068798 488030129 /nfs/dbraw/zinc/03/01/29/488030129.db2.gz RFYDNNBFFKEOLA-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000491068799 488029273 /nfs/dbraw/zinc/02/92/73/488029273.db2.gz RFYDNNBFFKEOLA-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000491068800 488029903 /nfs/dbraw/zinc/02/99/03/488029903.db2.gz RFYDNNBFFKEOLA-QWRGUYRKSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000491068801 488030042 /nfs/dbraw/zinc/03/00/42/488030042.db2.gz RFYDNNBFFKEOLA-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[N@H+](C)CCCNS(=O)(=O)C1COC1 ZINC000491068823 538489767 /nfs/dbraw/zinc/48/97/67/538489767.db2.gz RQUSPDBVFHEMPK-UHFFFAOYSA-N 1 0 246.332 -0.740 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CCN(C)CC1 ZINC000491069181 488029525 /nfs/dbraw/zinc/02/95/25/488029525.db2.gz UFQZBBSMGMGQRH-UHFFFAOYSA-N 1 0 209.293 -0.627 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](O)C1(C)C ZINC000491069736 388267576 /nfs/dbraw/zinc/26/75/76/388267576.db2.gz XUOSWQFTIYKCLP-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](O)C1(C)C ZINC000491069738 388267990 /nfs/dbraw/zinc/26/79/90/388267990.db2.gz XUOSWQFTIYKCLP-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000491069793 388267554 /nfs/dbraw/zinc/26/75/54/388267554.db2.gz YETXCOVVJCQYSJ-CYBMUJFWSA-N 1 0 249.314 -0.662 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000491069794 362847770 /nfs/dbraw/zinc/84/77/70/362847770.db2.gz YETXCOVVJCQYSJ-ZDUSSCGKSA-N 1 0 249.314 -0.662 20 30 BBEDRO C#CCNC(=O)C1CC[NH+](CCCO)CC1 ZINC000491102161 388269342 /nfs/dbraw/zinc/26/93/42/388269342.db2.gz LSYNWCACPVHZJI-UHFFFAOYSA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC1(O)CCC1 ZINC000491119248 398032447 /nfs/dbraw/zinc/03/24/47/398032447.db2.gz HRHVSPKEVYTPSA-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CCN(CC)Cc1cn(C)nn1 ZINC000491119915 388270717 /nfs/dbraw/zinc/27/07/17/388270717.db2.gz KTDSUAQTNLAEKR-UHFFFAOYSA-N 1 0 249.318 -0.224 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000491121471 259508150 /nfs/dbraw/zinc/50/81/50/259508150.db2.gz RCYUBFQJZYYPER-LLVKDONJSA-N 1 0 249.314 -0.568 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000491121483 388271348 /nfs/dbraw/zinc/27/13/48/388271348.db2.gz RCYUBFQJZYYPER-NSHDSACASA-N 1 0 249.314 -0.568 20 30 BBEDRO C#CCNC(=O)CCN1CC[S@](=O)[C@H](C)C1 ZINC000491122306 388271029 /nfs/dbraw/zinc/27/10/29/388271029.db2.gz VMASWEKDSMOYAQ-HWPZZCPQSA-N 1 0 242.344 -0.421 20 30 BBEDRO C#CCNC(=O)CCN1CC[S@@](=O)[C@@H](C)C1 ZINC000491122307 388271289 /nfs/dbraw/zinc/27/12/89/388271289.db2.gz VMASWEKDSMOYAQ-MGPLVRAMSA-N 1 0 242.344 -0.421 20 30 BBEDRO C#CCNC(=O)CCN1CC[S@](=O)[C@@H](C)C1 ZINC000491122308 388270726 /nfs/dbraw/zinc/27/07/26/388270726.db2.gz VMASWEKDSMOYAQ-QFYYESIMSA-N 1 0 242.344 -0.421 20 30 BBEDRO C#CCNC(=O)CCN1CC[S@@](=O)[C@H](C)C1 ZINC000491122309 388270793 /nfs/dbraw/zinc/27/07/93/388270793.db2.gz VMASWEKDSMOYAQ-QLJPJBMISA-N 1 0 242.344 -0.421 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C(=O)NC)C(C)C ZINC000491122801 388271192 /nfs/dbraw/zinc/27/11/92/388271192.db2.gz XZECOSUNCBTSSW-NSHDSACASA-N 1 0 239.319 -0.514 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CCN(C2CC2)CC1 ZINC000491122820 388270056 /nfs/dbraw/zinc/27/00/56/388270056.db2.gz YGSYLHRSDYSHGA-UHFFFAOYSA-N 1 0 235.331 -0.094 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C(C)(C)C(=O)N(C)C ZINC000491122943 388271166 /nfs/dbraw/zinc/27/11/66/388271166.db2.gz YTBVTYLQMRIHMD-UHFFFAOYSA-N 1 0 239.319 -0.418 20 30 BBEDRO C#CC[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000491126840 388271557 /nfs/dbraw/zinc/27/15/57/388271557.db2.gz STFLZYJGCBKKFL-UHFFFAOYSA-N 1 0 230.333 -0.119 20 30 BBEDRO C#CCCC[NH+]1CCN(CC(=O)NCC#C)CC1 ZINC000491128187 388271743 /nfs/dbraw/zinc/27/17/43/388271743.db2.gz ZHFAZCCNNKJVCY-UHFFFAOYSA-N 1 0 247.342 -0.233 20 30 BBEDRO C#CCNC(=O)CN1CC[NH+](CCC=C)CC1 ZINC000491147629 388273259 /nfs/dbraw/zinc/27/32/59/388273259.db2.gz SGXMPCLDYMDXAE-UHFFFAOYSA-N 1 0 235.331 -0.071 20 30 BBEDRO C#CC[N@H+](C)CCCNc1cncc(C(N)=O)n1 ZINC000491153744 388273343 /nfs/dbraw/zinc/27/33/43/388273343.db2.gz CZDWUYSTOBLEPH-UHFFFAOYSA-N 1 0 247.302 -0.058 20 30 BBEDRO C#CCNC(=O)CC[NH+](CCOC)CCOC ZINC000491154669 388273681 /nfs/dbraw/zinc/27/36/81/388273681.db2.gz LDIXGPKQZNNCBT-UHFFFAOYSA-N 1 0 242.319 -0.279 20 30 BBEDRO C#CCNC(=O)CCN1CCNC(=O)C1(C)C ZINC000491154772 388273266 /nfs/dbraw/zinc/27/32/66/388273266.db2.gz LZIJRMZKWRJQBW-UHFFFAOYSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C1CC(O)C1 ZINC000491164787 385027687 /nfs/dbraw/zinc/02/76/87/385027687.db2.gz FSVQALYUVKPGLW-UHFFFAOYSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCN(CCNS(C)(=O)=O)C1CC1 ZINC000491165056 388273566 /nfs/dbraw/zinc/27/35/66/388273566.db2.gz IETYBRNFHSRYGD-UHFFFAOYSA-N 1 0 216.306 -0.367 20 30 BBEDRO C#CC[N@H+](C)CCCNS(=O)(=O)N1CCC1 ZINC000491165338 388274545 /nfs/dbraw/zinc/27/45/45/388274545.db2.gz KEELQDOQQRRQES-UHFFFAOYSA-N 1 0 245.348 -0.518 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000491165650 385029377 /nfs/dbraw/zinc/02/93/77/385029377.db2.gz MOAJZLRIRQQUGE-JTQLQIEISA-N 1 0 222.288 -0.417 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000491165651 385028706 /nfs/dbraw/zinc/02/87/06/385028706.db2.gz MOAJZLRIRQQUGE-SNVBAGLBSA-N 1 0 222.288 -0.417 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1CCO ZINC000491167172 388274221 /nfs/dbraw/zinc/27/42/21/388274221.db2.gz WSMPQSINMBIDPX-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]1CCO ZINC000491167173 388274141 /nfs/dbraw/zinc/27/41/41/388274141.db2.gz WSMPQSINMBIDPX-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1cnn(C)c1C ZINC000491167395 388274017 /nfs/dbraw/zinc/27/40/17/388274017.db2.gz XVEUGJKRGVGPFC-UHFFFAOYSA-N 1 0 234.303 -0.042 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000491181265 388275201 /nfs/dbraw/zinc/27/52/01/388275201.db2.gz RRQPADFTLUKXKC-GMTAPVOTSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000491181266 388274767 /nfs/dbraw/zinc/27/47/67/388274767.db2.gz RRQPADFTLUKXKC-HBNTYKKESA-N 1 0 224.304 -0.031 20 30 BBEDRO C#CCNC(=O)C1CC[NH+](CCO)CC1 ZINC000491200840 388276365 /nfs/dbraw/zinc/27/63/65/388276365.db2.gz CSFBTFGPXKYFRS-UHFFFAOYSA-N 1 0 210.277 -0.560 20 30 BBEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)N(C)CC ZINC000491201886 388277361 /nfs/dbraw/zinc/27/73/61/388277361.db2.gz KSDQKPPPPCBAAQ-UHFFFAOYSA-N 1 0 247.364 -0.272 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000491202465 388277097 /nfs/dbraw/zinc/27/70/97/388277097.db2.gz OLRCSLTYTQSGAD-UHFFFAOYSA-N 1 0 233.275 -0.698 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000491203338 388277387 /nfs/dbraw/zinc/27/73/87/388277387.db2.gz VDBXWZQLWYZZGP-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH+](CC#C)CCC(=O)N(C)OC ZINC000491210022 388277687 /nfs/dbraw/zinc/27/76/87/388277687.db2.gz PACMKZSLRVHWAR-UHFFFAOYSA-N 1 0 208.261 -0.035 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1COC(=O)N1 ZINC000491228989 526822530 /nfs/dbraw/zinc/82/25/30/526822530.db2.gz DTGFOOXLGSVNJY-SECBINFHSA-N 1 0 239.275 -0.834 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1COC(=O)N1 ZINC000491228990 385203953 /nfs/dbraw/zinc/20/39/53/385203953.db2.gz DTGFOOXLGSVNJY-VIFPVBQESA-N 1 0 239.275 -0.834 20 30 BBEDRO C#CCn1ccnc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000491232098 388278379 /nfs/dbraw/zinc/27/83/79/388278379.db2.gz YCFOWLSYPCTUCK-SECBINFHSA-N 1 0 230.275 -0.213 20 30 BBEDRO C#CCn1ccnc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000491232099 388278523 /nfs/dbraw/zinc/27/85/23/388278523.db2.gz YCFOWLSYPCTUCK-VIFPVBQESA-N 1 0 230.275 -0.213 20 30 BBEDRO C#C[C@@H](C)[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000491252106 388280396 /nfs/dbraw/zinc/28/03/96/388280396.db2.gz FNCCDYRYYZGSSZ-SECBINFHSA-N 1 0 235.287 -0.463 20 30 BBEDRO C#C[C@H](C)[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000491252107 388280043 /nfs/dbraw/zinc/28/00/43/388280043.db2.gz FNCCDYRYYZGSSZ-VIFPVBQESA-N 1 0 235.287 -0.463 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)NOCCOC ZINC000491252503 388280314 /nfs/dbraw/zinc/28/03/14/388280314.db2.gz IDKMCKUNUDUEQS-UHFFFAOYSA-N 1 0 243.307 -0.181 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@H](C)[NH+](C)C ZINC000491295361 256599212 /nfs/dbraw/zinc/59/92/12/256599212.db2.gz HAUXIVZZKPLTSW-QWRGUYRKSA-N 1 0 239.319 -0.020 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H](C)[NH+](C)C ZINC000491295362 385314995 /nfs/dbraw/zinc/31/49/95/385314995.db2.gz HAUXIVZZKPLTSW-WDEREUQCSA-N 1 0 239.319 -0.020 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000491297110 388283504 /nfs/dbraw/zinc/28/35/04/388283504.db2.gz OSOOWVSATYFAJI-NXEZZACHSA-N 1 0 239.275 -0.277 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@H](C)CC[NH3+] ZINC000491303541 388284129 /nfs/dbraw/zinc/28/41/29/388284129.db2.gz BGDAQXVHUHDHJW-NXEZZACHSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000491303542 388284130 /nfs/dbraw/zinc/28/41/30/388284130.db2.gz BGDAQXVHUHDHJW-UWVGGRQHSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000491303543 527301314 /nfs/dbraw/zinc/30/13/14/527301314.db2.gz BGDAQXVHUHDHJW-VHSXEESVSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@H](C)CC[NH3+] ZINC000491303544 527421587 /nfs/dbraw/zinc/42/15/87/527421587.db2.gz BGDAQXVHUHDHJW-ZJUUUORDSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#CCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000491308907 388284344 /nfs/dbraw/zinc/28/43/44/388284344.db2.gz WWQSOOFXBDHPLG-LLVKDONJSA-N 1 0 225.292 -0.313 20 30 BBEDRO C#CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000491308908 527012178 /nfs/dbraw/zinc/01/21/78/527012178.db2.gz WWQSOOFXBDHPLG-NSHDSACASA-N 1 0 225.292 -0.313 20 30 BBEDRO C#CC[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000491313885 388284564 /nfs/dbraw/zinc/28/45/64/388284564.db2.gz BMSHOWQOYSCNJS-UHFFFAOYSA-N 1 0 218.322 -0.167 20 30 BBEDRO C#CC(C)(C)N(C)CCNS(C)(=O)=O ZINC000491314971 388284498 /nfs/dbraw/zinc/28/44/98/388284498.db2.gz KJEUDNVISODWBH-UHFFFAOYSA-N 1 0 218.322 -0.121 20 30 BBEDRO C#CCN(CC#CC)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000491337434 388286111 /nfs/dbraw/zinc/28/61/11/388286111.db2.gz ADYQCQBVRJSJFX-GFCCVEGCSA-N 1 0 249.314 -0.357 20 30 BBEDRO C#CCN(CC#CC)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000491337435 388286003 /nfs/dbraw/zinc/28/60/03/388286003.db2.gz ADYQCQBVRJSJFX-LBPRGKRZSA-N 1 0 249.314 -0.357 20 30 BBEDRO C#CCN(CC#CC)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000491339410 385365880 /nfs/dbraw/zinc/36/58/80/385365880.db2.gz PRUOCKBWNVODRX-GDNZZTSVSA-N 1 0 231.299 -0.128 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)C(=C)CO ZINC000491352309 388287546 /nfs/dbraw/zinc/28/75/46/388287546.db2.gz ZDMRIESBXOZESJ-UHFFFAOYSA-N 1 0 210.277 -0.394 20 30 BBEDRO C#C[C@H](CC)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000491362567 388288778 /nfs/dbraw/zinc/28/87/78/388288778.db2.gz SVLGHRVIMQFUIO-NEPJUHHUSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#C[C@@H](CC)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000491362568 388288795 /nfs/dbraw/zinc/28/87/95/388288795.db2.gz SVLGHRVIMQFUIO-NWDGAFQWSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#C[C@@H](CC)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000491362569 388288720 /nfs/dbraw/zinc/28/87/20/388288720.db2.gz SVLGHRVIMQFUIO-RYUDHWBXSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#C[C@H](CC)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000491362570 388288677 /nfs/dbraw/zinc/28/86/77/388288677.db2.gz SVLGHRVIMQFUIO-VXGBXAGGSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#C[C@@H]1COCCN1CCC(=O)NC(=O)NC ZINC000491374691 385507636 /nfs/dbraw/zinc/50/76/36/385507636.db2.gz SDSVEJKQDCYUHM-SECBINFHSA-N 1 0 239.275 -0.834 20 30 BBEDRO C#C[C@H]1COCCN1CCC(=O)NC(=O)NC ZINC000491374692 385506791 /nfs/dbraw/zinc/50/67/91/385506791.db2.gz SDSVEJKQDCYUHM-VIFPVBQESA-N 1 0 239.275 -0.834 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](CO)C(C)C ZINC000491381201 388290440 /nfs/dbraw/zinc/29/04/40/388290440.db2.gz CSCFEBMZMWNCKS-LLVKDONJSA-N 1 0 226.320 -0.020 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](CO)C(C)C ZINC000491381206 526982506 /nfs/dbraw/zinc/98/25/06/526982506.db2.gz CSCFEBMZMWNCKS-NSHDSACASA-N 1 0 226.320 -0.020 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)CN(C)C ZINC000491381698 388290278 /nfs/dbraw/zinc/29/02/78/388290278.db2.gz GLGGUUILTUIDQJ-JTQLQIEISA-N 1 0 211.309 -0.334 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491382164 384615741 /nfs/dbraw/zinc/61/57/41/384615741.db2.gz HRZIRMUIDKJNBK-GHMZBOCLSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491382165 384615243 /nfs/dbraw/zinc/61/52/43/384615243.db2.gz HRZIRMUIDKJNBK-MNOVXSKESA-N 1 0 237.303 -0.218 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCCn1ccnn1 ZINC000491383553 526982024 /nfs/dbraw/zinc/98/20/24/526982024.db2.gz MBCGHVAJXVKYSB-UHFFFAOYSA-N 1 0 235.291 -0.603 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)NC(C)(C)C[NH3+] ZINC000491384814 388291053 /nfs/dbraw/zinc/29/10/53/388291053.db2.gz PSAIMBCBBIEUQJ-UHFFFAOYSA-N 1 0 240.351 -0.022 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCCOCCO ZINC000491385296 526981558 /nfs/dbraw/zinc/98/15/58/526981558.db2.gz QZCMDNGTOJUSQY-UHFFFAOYSA-N 1 0 228.292 -0.886 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCc1ccn(C)n1 ZINC000491386771 388290865 /nfs/dbraw/zinc/29/08/65/388290865.db2.gz WCNZOULIGWNVFC-UHFFFAOYSA-N 1 0 234.303 -0.308 20 30 BBEDRO C#CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000491393335 388291488 /nfs/dbraw/zinc/29/14/88/388291488.db2.gz HHHYNAJSFULCGT-LLVKDONJSA-N 1 0 239.319 -0.234 20 30 BBEDRO C#CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000491393337 388291331 /nfs/dbraw/zinc/29/13/31/388291331.db2.gz HHHYNAJSFULCGT-NSHDSACASA-N 1 0 239.319 -0.234 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)C1CC1 ZINC000491393612 384674303 /nfs/dbraw/zinc/67/43/03/384674303.db2.gz IUHVWCHTNVLRFS-JTQLQIEISA-N 1 0 210.277 -0.514 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)C1CC1 ZINC000491393613 384673570 /nfs/dbraw/zinc/67/35/70/384673570.db2.gz IUHVWCHTNVLRFS-SNVBAGLBSA-N 1 0 210.277 -0.514 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)C1CCC1 ZINC000491394547 388291785 /nfs/dbraw/zinc/29/17/85/388291785.db2.gz NBXITBNVAKGFFL-LLVKDONJSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)C1CCC1 ZINC000491394548 388291912 /nfs/dbraw/zinc/29/19/12/388291912.db2.gz NBXITBNVAKGFFL-NSHDSACASA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCC(=O)NC(C)C ZINC000491395438 388291776 /nfs/dbraw/zinc/29/17/76/388291776.db2.gz SGDGIVLGISNVHJ-UHFFFAOYSA-N 1 0 239.319 -0.370 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)C(=O)NC ZINC000491395488 388291939 /nfs/dbraw/zinc/29/19/39/388291939.db2.gz SQMGJJRGHZVPLF-UHFFFAOYSA-N 1 0 239.319 -0.512 20 30 BBEDRO C#C[C@H]1COCCN1CCCC(=O)NC ZINC000491395737 388291978 /nfs/dbraw/zinc/29/19/78/388291978.db2.gz UQOMOOJYIQOBAA-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#C[C@@H]1COCCN1CCCC(=O)NC ZINC000491395738 388291891 /nfs/dbraw/zinc/29/18/91/388291891.db2.gz UQOMOOJYIQOBAA-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)N(CC)CCO ZINC000491404125 388292424 /nfs/dbraw/zinc/29/24/24/388292424.db2.gz ACEIHADQSHDJDU-UHFFFAOYSA-N 1 0 241.335 -0.035 20 30 BBEDRO C#CC(C)(C)[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000491405550 388292570 /nfs/dbraw/zinc/29/25/70/388292570.db2.gz JKNWHOBGNMOTJR-UHFFFAOYSA-N 1 0 249.314 -0.072 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CC#C ZINC000491405812 388292721 /nfs/dbraw/zinc/29/27/21/388292721.db2.gz KSGRXMFYZFVKJY-JTQLQIEISA-N 1 0 208.261 -0.900 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CC#C ZINC000491405813 388292669 /nfs/dbraw/zinc/29/26/69/388292669.db2.gz KSGRXMFYZFVKJY-SNVBAGLBSA-N 1 0 208.261 -0.900 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)COCCOC ZINC000491405892 384728593 /nfs/dbraw/zinc/72/85/93/384728593.db2.gz LLTMOYIFDQPOMU-LLVKDONJSA-N 1 0 242.319 -0.233 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)COCCOC ZINC000491405893 384728881 /nfs/dbraw/zinc/72/88/81/384728881.db2.gz LLTMOYIFDQPOMU-NSHDSACASA-N 1 0 242.319 -0.233 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCc1nc(C)no1 ZINC000491407612 398040692 /nfs/dbraw/zinc/04/06/92/398040692.db2.gz RVDDCBWYQQPWAR-UHFFFAOYSA-N 1 0 236.275 -0.350 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCCC(=O)NC ZINC000491414043 388292985 /nfs/dbraw/zinc/29/29/85/388292985.db2.gz AWZRMMASALTKKM-UHFFFAOYSA-N 1 0 225.292 -0.758 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCC1(CO)CC1 ZINC000491414966 526981932 /nfs/dbraw/zinc/98/19/32/526981932.db2.gz FLBJZFSDYKGBSF-UHFFFAOYSA-N 1 0 224.304 -0.122 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CC(=O)N(CC)C1 ZINC000491415174 488032489 /nfs/dbraw/zinc/03/24/89/488032489.db2.gz HACRILOWDZIWNP-JTQLQIEISA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC(=O)N(CC)C1 ZINC000491415175 488032620 /nfs/dbraw/zinc/03/26/20/488032620.db2.gz HACRILOWDZIWNP-SNVBAGLBSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#C[C@H](CO)[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000491415561 410659115 /nfs/dbraw/zinc/65/91/15/410659115.db2.gz HNLQSNLMZATEIR-SECBINFHSA-N 1 0 237.259 -0.105 20 30 BBEDRO C#C[C@@H](CO)[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000491415562 410659148 /nfs/dbraw/zinc/65/91/48/410659148.db2.gz HNLQSNLMZATEIR-VIFPVBQESA-N 1 0 237.259 -0.105 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NCCC[NH2+]C ZINC000491416016 398041945 /nfs/dbraw/zinc/04/19/45/398041945.db2.gz JLJIDRACZKUNNN-JTQLQIEISA-N 1 0 225.292 -0.361 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NCCC[NH2+]C ZINC000491416018 527299333 /nfs/dbraw/zinc/29/93/33/527299333.db2.gz JLJIDRACZKUNNN-SNVBAGLBSA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)CCc1nnc[nH]1 ZINC000491417557 384770104 /nfs/dbraw/zinc/77/01/04/384770104.db2.gz NWCRBDXIQCWSFF-UHFFFAOYSA-N 1 0 249.318 -0.191 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCCC(=O)OC ZINC000491417575 384770253 /nfs/dbraw/zinc/77/02/53/384770253.db2.gz NZENXHWPLBETHX-UHFFFAOYSA-N 1 0 226.276 -0.331 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@@H](O)CC ZINC000491418280 262915855 /nfs/dbraw/zinc/91/58/55/262915855.db2.gz QLCLMOSYEWJPFQ-JTQLQIEISA-N 1 0 212.293 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@H](O)CC ZINC000491418281 262915864 /nfs/dbraw/zinc/91/58/64/262915864.db2.gz QLCLMOSYEWJPFQ-SNVBAGLBSA-N 1 0 212.293 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCCO1 ZINC000491418579 526982873 /nfs/dbraw/zinc/98/28/73/526982873.db2.gz RJYYVJXLYDCQRO-JTQLQIEISA-N 1 0 210.277 -0.106 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCCO1 ZINC000491418581 388293236 /nfs/dbraw/zinc/29/32/36/388293236.db2.gz RJYYVJXLYDCQRO-SNVBAGLBSA-N 1 0 210.277 -0.106 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000491418720 388293557 /nfs/dbraw/zinc/29/35/57/388293557.db2.gz RWUMCHMCDYIVHE-LLVKDONJSA-N 1 0 246.314 -0.004 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000491418721 388293495 /nfs/dbraw/zinc/29/34/95/388293495.db2.gz RWUMCHMCDYIVHE-NSHDSACASA-N 1 0 246.314 -0.004 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCC(C)(C)O ZINC000491419762 388293097 /nfs/dbraw/zinc/29/30/97/388293097.db2.gz VYQIDCHXFLNOEJ-UHFFFAOYSA-N 1 0 212.293 -0.124 20 30 BBEDRO C#CCN(CC#CC)CCN1CCNC1=O ZINC000491420305 388293184 /nfs/dbraw/zinc/29/31/84/388293184.db2.gz WYPOJZDMRUJSRK-UHFFFAOYSA-N 1 0 219.288 -0.030 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CCO)COC ZINC000491421201 388293102 /nfs/dbraw/zinc/29/31/02/388293102.db2.gz ZPSQRLWSHPGLAK-JTQLQIEISA-N 1 0 228.292 -0.887 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CCO)COC ZINC000491421205 388293291 /nfs/dbraw/zinc/29/32/91/388293291.db2.gz ZPSQRLWSHPGLAK-SNVBAGLBSA-N 1 0 228.292 -0.887 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NCC1=CC[NH2+]CC1 ZINC000491429937 527298536 /nfs/dbraw/zinc/29/85/36/527298536.db2.gz WONXIWQWSVKRNB-GFCCVEGCSA-N 1 0 249.314 -0.050 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NCC1=CC[NH2+]CC1 ZINC000491429938 384835872 /nfs/dbraw/zinc/83/58/72/384835872.db2.gz WONXIWQWSVKRNB-LBPRGKRZSA-N 1 0 249.314 -0.050 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000491438523 527421692 /nfs/dbraw/zinc/42/16/92/527421692.db2.gz DDDICHLQZUFSRH-UWVGGRQHSA-N 1 0 223.276 -0.608 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000491438524 384848938 /nfs/dbraw/zinc/84/89/38/384848938.db2.gz DDDICHLQZUFSRH-VHSXEESVSA-N 1 0 223.276 -0.608 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C(=O)N(C)CC ZINC000491439316 388294971 /nfs/dbraw/zinc/29/49/71/388294971.db2.gz JAJJMFQSZOEHKC-JTQLQIEISA-N 1 0 239.319 -0.418 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)C(=O)N(C)CC ZINC000491439318 388294900 /nfs/dbraw/zinc/29/49/00/388294900.db2.gz JAJJMFQSZOEHKC-SNVBAGLBSA-N 1 0 239.319 -0.418 20 30 BBEDRO C#CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000491450624 259509181 /nfs/dbraw/zinc/50/91/81/259509181.db2.gz BCLVNYCSNWIHGL-SECBINFHSA-N 1 0 233.275 -0.607 20 30 BBEDRO C#CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000491450625 388295371 /nfs/dbraw/zinc/29/53/71/388295371.db2.gz BCLVNYCSNWIHGL-VIFPVBQESA-N 1 0 233.275 -0.607 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CC(F)F ZINC000491451063 526985906 /nfs/dbraw/zinc/98/59/06/526985906.db2.gz DGNURALZTRVCGL-MRVPVSSYSA-N 1 0 234.246 -0.268 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CC(F)F ZINC000491451064 526987385 /nfs/dbraw/zinc/98/73/85/526987385.db2.gz DGNURALZTRVCGL-QMMMGPOBSA-N 1 0 234.246 -0.268 20 30 BBEDRO C#CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000491451437 527032703 /nfs/dbraw/zinc/03/27/03/527032703.db2.gz GFPVPPIZALSNPK-MRVPVSSYSA-N 1 0 218.260 -0.150 20 30 BBEDRO C#CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000491451438 527032406 /nfs/dbraw/zinc/03/24/06/527032406.db2.gz GFPVPPIZALSNPK-QMMMGPOBSA-N 1 0 218.260 -0.150 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCC[C@H](C)O ZINC000491452356 526981976 /nfs/dbraw/zinc/98/19/76/526981976.db2.gz KYIYXXASMZRYJQ-JTQLQIEISA-N 1 0 212.293 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCC[C@@H](C)O ZINC000491452357 411393679 /nfs/dbraw/zinc/39/36/79/411393679.db2.gz KYIYXXASMZRYJQ-SNVBAGLBSA-N 1 0 212.293 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCNC(=O)OC ZINC000491452966 388295832 /nfs/dbraw/zinc/29/58/32/388295832.db2.gz OVZRLNDYMPTTSV-UHFFFAOYSA-N 1 0 227.264 -0.929 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000491453416 384891818 /nfs/dbraw/zinc/89/18/18/384891818.db2.gz RBEFFAFZYYKYFR-SECBINFHSA-N 1 0 246.332 -0.851 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000491453417 384892323 /nfs/dbraw/zinc/89/23/23/384892323.db2.gz RBEFFAFZYYKYFR-VIFPVBQESA-N 1 0 246.332 -0.851 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)Cn1cncn1 ZINC000491454104 388295642 /nfs/dbraw/zinc/29/56/42/388295642.db2.gz VXVLXYUVPMNCEM-JTQLQIEISA-N 1 0 235.291 -0.604 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)Cn1cncn1 ZINC000491454105 526987081 /nfs/dbraw/zinc/98/70/81/526987081.db2.gz VXVLXYUVPMNCEM-SNVBAGLBSA-N 1 0 235.291 -0.604 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)C(=O)N(C)C ZINC000491454563 388295933 /nfs/dbraw/zinc/29/59/33/388295933.db2.gz ZRYKFNGCESRYCT-SECBINFHSA-N 1 0 225.292 -0.808 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC000491454564 388295696 /nfs/dbraw/zinc/29/56/96/388295696.db2.gz ZRYKFNGCESRYCT-VIFPVBQESA-N 1 0 225.292 -0.808 20 30 BBEDRO C#CC[N@@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000491463058 388296091 /nfs/dbraw/zinc/29/60/91/388296091.db2.gz LBJPWXMWBVNLSU-JTQLQIEISA-N 1 0 230.333 -0.167 20 30 BBEDRO C#CC[N@@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000491463059 388296036 /nfs/dbraw/zinc/29/60/36/388296036.db2.gz LBJPWXMWBVNLSU-SNVBAGLBSA-N 1 0 230.333 -0.167 20 30 BBEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000491463596 384930133 /nfs/dbraw/zinc/93/01/33/384930133.db2.gz NUVIFGDXUNCEOV-AXTSPUMRSA-N 1 0 207.277 -0.133 20 30 BBEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000491463597 527204154 /nfs/dbraw/zinc/20/41/54/527204154.db2.gz NUVIFGDXUNCEOV-IMSYWVGJSA-N 1 0 207.277 -0.133 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CCOCC ZINC000491463750 388295975 /nfs/dbraw/zinc/29/59/75/388295975.db2.gz OKWJXGXPVGMQTA-NXEZZACHSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CCOCC ZINC000491463751 388296032 /nfs/dbraw/zinc/29/60/32/388296032.db2.gz OKWJXGXPVGMQTA-UWVGGRQHSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CCOCC ZINC000491463752 527260954 /nfs/dbraw/zinc/26/09/54/527260954.db2.gz OKWJXGXPVGMQTA-VHSXEESVSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CCOCC ZINC000491463753 388294455 /nfs/dbraw/zinc/29/44/55/388294455.db2.gz OKWJXGXPVGMQTA-ZJUUUORDSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)CCO ZINC000491466024 384937441 /nfs/dbraw/zinc/93/74/41/384937441.db2.gz YWIQKHSKKXVIHG-JTQLQIEISA-N 1 0 212.293 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CC)CCO ZINC000491466025 384936875 /nfs/dbraw/zinc/93/68/75/384936875.db2.gz YWIQKHSKKXVIHG-SNVBAGLBSA-N 1 0 212.293 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C1CCN(OC)CC1 ZINC000491474684 526980106 /nfs/dbraw/zinc/98/01/06/526980106.db2.gz PCGKWCNNMYOKFS-UHFFFAOYSA-N 1 0 239.319 -0.259 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCC(=O)N(C)C ZINC000491474712 388297042 /nfs/dbraw/zinc/29/70/42/388297042.db2.gz PHMOPHBMPXYXCG-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@]12CCNC2=O ZINC000491475213 388297976 /nfs/dbraw/zinc/29/79/76/388297976.db2.gz UVFAQVCISRSGTM-CYBMUJFWSA-N 1 0 249.314 -0.520 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000491475214 388297961 /nfs/dbraw/zinc/29/79/61/388297961.db2.gz UVFAQVCISRSGTM-ZDUSSCGKSA-N 1 0 249.314 -0.520 20 30 BBEDRO C#C[C@@H](C)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000491475769 388297937 /nfs/dbraw/zinc/29/79/37/388297937.db2.gz ZTBSBGWIIIESAN-NEPJUHHUSA-N 1 0 226.320 -0.367 20 30 BBEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000491475770 388297629 /nfs/dbraw/zinc/29/76/29/388297629.db2.gz ZTBSBGWIIIESAN-NWDGAFQWSA-N 1 0 226.320 -0.367 20 30 BBEDRO C#C[C@@H](C)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000491475772 388296044 /nfs/dbraw/zinc/29/60/44/388296044.db2.gz ZTBSBGWIIIESAN-VXGBXAGGSA-N 1 0 226.320 -0.367 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCCCCO ZINC000491483227 526981949 /nfs/dbraw/zinc/98/19/49/526981949.db2.gz AGTIKSWTDIGKLC-UHFFFAOYSA-N 1 0 212.293 -0.122 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC000491483352 526988303 /nfs/dbraw/zinc/98/83/03/526988303.db2.gz BGIKOHSQWJJICO-JZYVYDRUSA-N 1 0 208.261 -0.640 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000491483921 384991433 /nfs/dbraw/zinc/99/14/33/384991433.db2.gz FRAZIPBCOVJPHG-JTQLQIEISA-N 1 0 247.302 -0.267 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000491483922 384991646 /nfs/dbraw/zinc/99/16/46/384991646.db2.gz FRAZIPBCOVJPHG-SNVBAGLBSA-N 1 0 247.302 -0.267 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CCC(=O)OCC ZINC000491484021 388297672 /nfs/dbraw/zinc/29/76/72/388297672.db2.gz GPMJQOJTVCRJOY-NXEZZACHSA-N 1 0 229.276 -0.726 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CCC(=O)OCC ZINC000491484022 388297606 /nfs/dbraw/zinc/29/76/06/388297606.db2.gz GPMJQOJTVCRJOY-UWVGGRQHSA-N 1 0 229.276 -0.726 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CCC(=O)OCC ZINC000491484023 388297578 /nfs/dbraw/zinc/29/75/78/388297578.db2.gz GPMJQOJTVCRJOY-VHSXEESVSA-N 1 0 229.276 -0.726 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CCC(=O)OCC ZINC000491484024 388297517 /nfs/dbraw/zinc/29/75/17/388297517.db2.gz GPMJQOJTVCRJOY-ZJUUUORDSA-N 1 0 229.276 -0.726 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](CO)CC=C ZINC000491484971 388298131 /nfs/dbraw/zinc/29/81/31/388298131.db2.gz MACFHZQEZOMUNS-LLVKDONJSA-N 1 0 224.304 -0.100 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](CO)CC=C ZINC000491484972 388298099 /nfs/dbraw/zinc/29/80/99/388298099.db2.gz MACFHZQEZOMUNS-NSHDSACASA-N 1 0 224.304 -0.100 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCOCC(F)F ZINC000491485773 526982136 /nfs/dbraw/zinc/98/21/36/526982136.db2.gz QZFMZYDOUIQBHE-UHFFFAOYSA-N 1 0 234.246 -0.003 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000491486485 527303219 /nfs/dbraw/zinc/30/32/19/527303219.db2.gz WOAQZRMGFKSBHZ-GHMZBOCLSA-N 1 0 237.303 -0.233 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000491486486 527302175 /nfs/dbraw/zinc/30/21/75/527302175.db2.gz WOAQZRMGFKSBHZ-MNOVXSKESA-N 1 0 237.303 -0.233 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000491486487 527421119 /nfs/dbraw/zinc/42/11/19/527421119.db2.gz WOAQZRMGFKSBHZ-QWRGUYRKSA-N 1 0 237.303 -0.233 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000491486488 527421841 /nfs/dbraw/zinc/42/18/41/527421841.db2.gz WOAQZRMGFKSBHZ-WDEREUQCSA-N 1 0 237.303 -0.233 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H](C)C[NH2+]C ZINC000491495950 527299932 /nfs/dbraw/zinc/29/99/32/527299932.db2.gz MPYUQQBTKMKGQB-GHMZBOCLSA-N 1 0 239.319 -0.115 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@H](C)C[NH2+]C ZINC000491495951 527419008 /nfs/dbraw/zinc/41/90/08/527419008.db2.gz MPYUQQBTKMKGQB-MNOVXSKESA-N 1 0 239.319 -0.115 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@@H](C)C[NH2+]C ZINC000491495952 388298814 /nfs/dbraw/zinc/29/88/14/388298814.db2.gz MPYUQQBTKMKGQB-QWRGUYRKSA-N 1 0 239.319 -0.115 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@@H](C)C[NH2+]C ZINC000491495953 527299705 /nfs/dbraw/zinc/29/97/05/527299705.db2.gz MPYUQQBTKMKGQB-WDEREUQCSA-N 1 0 239.319 -0.115 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)NC(C)=O ZINC000491496809 388299043 /nfs/dbraw/zinc/29/90/43/388299043.db2.gz TWCIUOLGHMIOER-JTQLQIEISA-N 1 0 239.319 -0.418 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)NC(C)=O ZINC000491496810 388299066 /nfs/dbraw/zinc/29/90/66/388299066.db2.gz TWCIUOLGHMIOER-SNVBAGLBSA-N 1 0 239.319 -0.418 20 30 BBEDRO C#C[C@@H](C)[N@H+](C)CCCC(=O)NC(N)=O ZINC000491497564 388299189 /nfs/dbraw/zinc/29/91/89/388299189.db2.gz YPWJMWFTLCAQGH-MRVPVSSYSA-N 1 0 211.265 -0.085 20 30 BBEDRO C#C[C@H](C)[N@H+](C)CCCC(=O)NC(N)=O ZINC000491497568 388299418 /nfs/dbraw/zinc/29/94/18/388299418.db2.gz YPWJMWFTLCAQGH-QMMMGPOBSA-N 1 0 211.265 -0.085 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NCC[NH2+]CC ZINC000491497586 527419050 /nfs/dbraw/zinc/41/90/50/527419050.db2.gz YQXPETORLOHLEH-JTQLQIEISA-N 1 0 225.292 -0.361 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NCC[NH2+]CC ZINC000491497587 388299111 /nfs/dbraw/zinc/29/91/11/388299111.db2.gz YQXPETORLOHLEH-SNVBAGLBSA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@@H](CO)SC ZINC000491507387 388299809 /nfs/dbraw/zinc/29/98/09/388299809.db2.gz VAFWNGRJVJEEJR-NXEZZACHSA-N 1 0 244.360 -0.172 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@H](CO)SC ZINC000491507390 388299729 /nfs/dbraw/zinc/29/97/29/388299729.db2.gz VAFWNGRJVJEEJR-UWVGGRQHSA-N 1 0 244.360 -0.172 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H](CO)SC ZINC000491507391 388299831 /nfs/dbraw/zinc/29/98/31/388299831.db2.gz VAFWNGRJVJEEJR-VHSXEESVSA-N 1 0 244.360 -0.172 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@H](CO)SC ZINC000491507393 388299818 /nfs/dbraw/zinc/29/98/18/388299818.db2.gz VAFWNGRJVJEEJR-ZJUUUORDSA-N 1 0 244.360 -0.172 20 30 BBEDRO C#CCN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000491507724 388299856 /nfs/dbraw/zinc/29/98/56/388299856.db2.gz WQUQXOXURNBYNL-LLVKDONJSA-N 1 0 221.304 -0.532 20 30 BBEDRO C#CCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000491507725 388299822 /nfs/dbraw/zinc/29/98/22/388299822.db2.gz WQUQXOXURNBYNL-NSHDSACASA-N 1 0 221.304 -0.532 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)NCCOC ZINC000491507828 388299769 /nfs/dbraw/zinc/29/97/69/388299769.db2.gz XKKAKABSDUXAAW-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO C#C[C@@H](C)[N@H+](C)CCN1C(=O)N[C@@H](C)C1=O ZINC000491508197 398045291 /nfs/dbraw/zinc/04/52/91/398045291.db2.gz YVVXBXPAZCEINA-BDAKNGLRSA-N 1 0 223.276 -0.120 20 30 BBEDRO C#C[C@H](C)[N@H+](C)CCN1C(=O)N[C@H](C)C1=O ZINC000491508198 398045352 /nfs/dbraw/zinc/04/53/52/398045352.db2.gz YVVXBXPAZCEINA-DTWKUNHWSA-N 1 0 223.276 -0.120 20 30 BBEDRO C#C[C@H](C)[N@H+](C)CCN1C(=O)N[C@@H](C)C1=O ZINC000491508199 398045320 /nfs/dbraw/zinc/04/53/20/398045320.db2.gz YVVXBXPAZCEINA-IUCAKERBSA-N 1 0 223.276 -0.120 20 30 BBEDRO C#C[C@@H](C)[N@H+](C)CCN1C(=O)N[C@H](C)C1=O ZINC000491508200 398045261 /nfs/dbraw/zinc/04/52/61/398045261.db2.gz YVVXBXPAZCEINA-RKDXNWHRSA-N 1 0 223.276 -0.120 20 30 BBEDRO C#C[C@@H](C)[N@@H+](C)CCC(=O)NC(=O)NC ZINC000491513536 398046044 /nfs/dbraw/zinc/04/60/44/398046044.db2.gz CSDVWDGGSQHGNP-MRVPVSSYSA-N 1 0 211.265 -0.214 20 30 BBEDRO C#C[C@H](C)[N@@H+](C)CCC(=O)NC(=O)NC ZINC000491513537 398046023 /nfs/dbraw/zinc/04/60/23/398046023.db2.gz CSDVWDGGSQHGNP-QMMMGPOBSA-N 1 0 211.265 -0.214 20 30 BBEDRO C#CCNC(=O)C1CC[NH+](C[C@H](C)O)CC1 ZINC000491514564 388300079 /nfs/dbraw/zinc/30/00/79/388300079.db2.gz ITEAEFUBNSGULQ-JTQLQIEISA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](C)O)CC1 ZINC000491514565 388300145 /nfs/dbraw/zinc/30/01/45/388300145.db2.gz ITEAEFUBNSGULQ-SNVBAGLBSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)[C@H](O)CCC ZINC000491514929 388300543 /nfs/dbraw/zinc/30/05/43/388300543.db2.gz KSHQBXFCMGIKOM-GHMZBOCLSA-N 1 0 242.319 -0.763 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)[C@@H](O)CCC ZINC000491514933 388300264 /nfs/dbraw/zinc/30/02/64/388300264.db2.gz KSHQBXFCMGIKOM-MNOVXSKESA-N 1 0 242.319 -0.763 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)[C@@H](O)CCC ZINC000491514935 388300388 /nfs/dbraw/zinc/30/03/88/388300388.db2.gz KSHQBXFCMGIKOM-QWRGUYRKSA-N 1 0 242.319 -0.763 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)[C@H](O)CCC ZINC000491514936 388300462 /nfs/dbraw/zinc/30/04/62/388300462.db2.gz KSHQBXFCMGIKOM-WDEREUQCSA-N 1 0 242.319 -0.763 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCc1cnn(C)c1 ZINC000491515087 388300106 /nfs/dbraw/zinc/30/01/06/388300106.db2.gz LQZFEDXUAJKJFF-UHFFFAOYSA-N 1 0 234.303 -0.308 20 30 BBEDRO C#CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000491523114 388300933 /nfs/dbraw/zinc/30/09/33/388300933.db2.gz BPGBXEUEKDRTAT-LLVKDONJSA-N 1 0 239.319 -0.234 20 30 BBEDRO C#CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000491523115 388300871 /nfs/dbraw/zinc/30/08/71/388300871.db2.gz BPGBXEUEKDRTAT-NSHDSACASA-N 1 0 239.319 -0.234 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000491524080 388301476 /nfs/dbraw/zinc/30/14/76/388301476.db2.gz IVDBXYUEPLUCKG-GHMZBOCLSA-N 1 0 240.303 -0.793 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000491524081 388301190 /nfs/dbraw/zinc/30/11/90/388301190.db2.gz IVDBXYUEPLUCKG-MNOVXSKESA-N 1 0 240.303 -0.793 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000491524082 388301290 /nfs/dbraw/zinc/30/12/90/388301290.db2.gz IVDBXYUEPLUCKG-QWRGUYRKSA-N 1 0 240.303 -0.793 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000491524083 388301497 /nfs/dbraw/zinc/30/14/97/388301497.db2.gz IVDBXYUEPLUCKG-WDEREUQCSA-N 1 0 240.303 -0.793 20 30 BBEDRO C#CCN(CC#N)C[C@H](O)C[N@@H+](C)CCOC ZINC000491524542 388301385 /nfs/dbraw/zinc/30/13/85/388301385.db2.gz MNLMWHWEMZKETA-GFCCVEGCSA-N 1 0 239.319 -0.616 20 30 BBEDRO C#CCN(CC#N)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491524543 388300119 /nfs/dbraw/zinc/30/01/19/388300119.db2.gz MNLMWHWEMZKETA-LBPRGKRZSA-N 1 0 239.319 -0.616 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1cccc(CO)n1 ZINC000491524912 388301419 /nfs/dbraw/zinc/30/14/19/388301419.db2.gz OXQMJWFJUNQXJU-UHFFFAOYSA-N 1 0 247.298 -0.197 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)N(C)C ZINC000491525875 388301623 /nfs/dbraw/zinc/30/16/23/388301623.db2.gz VZLNLBDUSBDYBB-JTQLQIEISA-N 1 0 211.309 -0.334 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC(=O)NCC1CC1 ZINC000491538358 388302796 /nfs/dbraw/zinc/30/27/96/388302796.db2.gz YKMNLLUFODIJPM-UHFFFAOYSA-N 1 0 237.303 -0.758 20 30 BBEDRO C#CCNC(=O)CC[N@H+](C)CCNC(C)=O ZINC000491546810 388302939 /nfs/dbraw/zinc/30/29/39/388302939.db2.gz XRRAFPATZXCOAH-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)C(F)F ZINC000491554828 388303502 /nfs/dbraw/zinc/30/35/02/388303502.db2.gz MLDJFMXYKZQYOV-SSDOTTSWSA-N 1 0 220.219 -0.659 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)C(F)F ZINC000491554829 388303561 /nfs/dbraw/zinc/30/35/61/388303561.db2.gz MLDJFMXYKZQYOV-ZETCQYMHSA-N 1 0 220.219 -0.659 20 30 BBEDRO C#CCNC(=O)CC[N@H+](C[C@@H](O)CO)C(C)C ZINC000491554866 385144943 /nfs/dbraw/zinc/14/49/43/385144943.db2.gz MSQZNRQFOIVUIO-LLVKDONJSA-N 1 0 242.319 -0.811 20 30 BBEDRO C#CCNC(=O)CC[N@H+](C[C@H](O)CO)C(C)C ZINC000491554867 385146202 /nfs/dbraw/zinc/14/62/02/385146202.db2.gz MSQZNRQFOIVUIO-NSHDSACASA-N 1 0 242.319 -0.811 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCC[C@@H]1O ZINC000491555278 388303625 /nfs/dbraw/zinc/30/36/25/388303625.db2.gz QADNUQMZJQXVLP-MNOVXSKESA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCC1CC(O)C1 ZINC000491555442 388303516 /nfs/dbraw/zinc/30/35/16/388303516.db2.gz REVDBOBDIIIPHD-UHFFFAOYSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)C[NH3+] ZINC000491556261 388303604 /nfs/dbraw/zinc/30/36/04/388303604.db2.gz WQTNGNAUGZUFPS-LLVKDONJSA-N 1 0 240.351 -0.165 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000491556265 388303576 /nfs/dbraw/zinc/30/35/76/388303576.db2.gz WQTNGNAUGZUFPS-NSHDSACASA-N 1 0 240.351 -0.165 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCN(C)C[C@H]1C ZINC000491566336 388303990 /nfs/dbraw/zinc/30/39/90/388303990.db2.gz FTSDNSVSLJVZKJ-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCN(C)C[C@@H]1C ZINC000491566337 388303856 /nfs/dbraw/zinc/30/38/56/388303856.db2.gz FTSDNSVSLJVZKJ-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000491569834 388304587 /nfs/dbraw/zinc/30/45/87/388304587.db2.gz YGZDGPFDFBTXCX-JTQLQIEISA-N 1 0 246.314 -0.004 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000491569835 388304437 /nfs/dbraw/zinc/30/44/37/388304437.db2.gz YGZDGPFDFBTXCX-SNVBAGLBSA-N 1 0 246.314 -0.004 20 30 BBEDRO C#C[C@@H]1COCCN1C[C@@H](O)C[N@@H+](C)CC ZINC000491616071 388304927 /nfs/dbraw/zinc/30/49/27/388304927.db2.gz IFHSYLBAODSACM-NEPJUHHUSA-N 1 0 226.320 -0.367 20 30 BBEDRO C#C[C@H]1COCCN1C[C@H](O)C[N@@H+](C)CC ZINC000491616072 388304796 /nfs/dbraw/zinc/30/47/96/388304796.db2.gz IFHSYLBAODSACM-NWDGAFQWSA-N 1 0 226.320 -0.367 20 30 BBEDRO C#C[C@H]1COCCN1C[C@@H](O)C[N@@H+](C)CC ZINC000491616073 388304803 /nfs/dbraw/zinc/30/48/03/388304803.db2.gz IFHSYLBAODSACM-RYUDHWBXSA-N 1 0 226.320 -0.367 20 30 BBEDRO C#C[C@@H]1COCCN1C[C@H](O)C[N@@H+](C)CC ZINC000491616074 388304785 /nfs/dbraw/zinc/30/47/85/388304785.db2.gz IFHSYLBAODSACM-VXGBXAGGSA-N 1 0 226.320 -0.367 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)CC1OCCO1 ZINC000491616255 398048473 /nfs/dbraw/zinc/04/84/73/398048473.db2.gz AVXIFXRESSFUMZ-UHFFFAOYSA-N 1 0 240.303 -0.179 20 30 BBEDRO C#CC[N@H+](C)CCCNc1nccn2nnnc12 ZINC000491616353 398048506 /nfs/dbraw/zinc/04/85/06/398048506.db2.gz ISBQCEVUVNANAL-UHFFFAOYSA-N 1 0 245.290 -0.114 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](CO)C1CC1 ZINC000491616701 388304898 /nfs/dbraw/zinc/30/48/98/388304898.db2.gz JDLDMUMFDAHMER-LLVKDONJSA-N 1 0 224.304 -0.266 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](CO)C1CC1 ZINC000491616704 388304978 /nfs/dbraw/zinc/30/49/78/388304978.db2.gz JDLDMUMFDAHMER-NSHDSACASA-N 1 0 224.304 -0.266 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC1([S@](C)=O)CC1 ZINC000491617514 398049376 /nfs/dbraw/zinc/04/93/76/398049376.db2.gz CSXHNDVPMAPRFX-INIZCTEOSA-N 1 0 242.344 -0.373 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC1([S@@](C)=O)CC1 ZINC000491617532 388304668 /nfs/dbraw/zinc/30/46/68/388304668.db2.gz CSXHNDVPMAPRFX-MRXNPFEDSA-N 1 0 242.344 -0.373 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC1(CCO)CC1 ZINC000491617681 388305233 /nfs/dbraw/zinc/30/52/33/388305233.db2.gz CGICOEJFQRNCMC-UHFFFAOYSA-N 1 0 224.304 -0.122 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000491619933 388305314 /nfs/dbraw/zinc/30/53/14/388305314.db2.gz FOPBEHJNHUFECM-GFCCVEGCSA-N 1 0 237.303 -0.616 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000491619966 388305512 /nfs/dbraw/zinc/30/55/12/388305512.db2.gz FOPBEHJNHUFECM-LBPRGKRZSA-N 1 0 237.303 -0.616 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CCC(O)CC1 ZINC000491623458 491079323 /nfs/dbraw/zinc/07/93/23/491079323.db2.gz GBACUVITKVQOAD-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCn1ccnc1 ZINC000491623815 398049930 /nfs/dbraw/zinc/04/99/30/398049930.db2.gz QOQDZQWLEHECLL-UHFFFAOYSA-N 1 0 220.276 -0.388 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC(=O)N1CCCC1 ZINC000491624456 385200446 /nfs/dbraw/zinc/20/04/46/385200446.db2.gz HBMCITVYVFPWFI-UHFFFAOYSA-N 1 0 237.303 -0.662 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NCC[NH2+]C ZINC000491624457 527299407 /nfs/dbraw/zinc/29/94/07/527299407.db2.gz HWRKQMDVZBHWRX-SECBINFHSA-N 1 0 211.265 -0.751 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NCC[NH2+]C ZINC000491624473 527418622 /nfs/dbraw/zinc/41/86/22/527418622.db2.gz HWRKQMDVZBHWRX-VIFPVBQESA-N 1 0 211.265 -0.751 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000491624735 388305829 /nfs/dbraw/zinc/30/58/29/388305829.db2.gz QXDGUUFNJWDPNC-QJPTWQEYSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000491624736 388305764 /nfs/dbraw/zinc/30/57/64/388305764.db2.gz QXDGUUFNJWDPNC-SDDRHHMPSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000491624737 388305928 /nfs/dbraw/zinc/30/59/28/388305928.db2.gz QXDGUUFNJWDPNC-SRVKXCTJSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000491624738 388305759 /nfs/dbraw/zinc/30/57/59/388305759.db2.gz QXDGUUFNJWDPNC-TUAOUCFPSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#C[C@@H](C)N(C)Cn1cc(C(=O)OC)nn1 ZINC000491624771 388305968 /nfs/dbraw/zinc/30/59/68/388305968.db2.gz HBRQXRAJUHXQIX-MRVPVSSYSA-N 1 0 222.248 -0.024 20 30 BBEDRO C#C[C@H](C)N(C)Cn1cc(C(=O)OC)nn1 ZINC000491624783 388305838 /nfs/dbraw/zinc/30/58/38/388305838.db2.gz HBRQXRAJUHXQIX-QMMMGPOBSA-N 1 0 222.248 -0.024 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CC)[C@@H](C)O ZINC000491625153 388305749 /nfs/dbraw/zinc/30/57/49/388305749.db2.gz KEZVPDLTICBEOI-NXEZZACHSA-N 1 0 212.293 -0.125 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)[C@H](C)O ZINC000491625189 388305718 /nfs/dbraw/zinc/30/57/18/388305718.db2.gz KEZVPDLTICBEOI-UWVGGRQHSA-N 1 0 212.293 -0.125 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CC)[C@H](C)O ZINC000491625192 388305943 /nfs/dbraw/zinc/30/59/43/388305943.db2.gz KEZVPDLTICBEOI-VHSXEESVSA-N 1 0 212.293 -0.125 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)[C@@H](C)O ZINC000491625195 388305980 /nfs/dbraw/zinc/30/59/80/388305980.db2.gz KEZVPDLTICBEOI-ZJUUUORDSA-N 1 0 212.293 -0.125 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000491625233 388305719 /nfs/dbraw/zinc/30/57/19/388305719.db2.gz RJOKBWGCOORJEX-JTQLQIEISA-N 1 0 240.303 -0.133 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1COC(C)(C)O1 ZINC000491625259 388305816 /nfs/dbraw/zinc/30/58/16/388305816.db2.gz RJOKBWGCOORJEX-SNVBAGLBSA-N 1 0 240.303 -0.133 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C(COC)COC ZINC000491626810 388306217 /nfs/dbraw/zinc/30/62/17/388306217.db2.gz MULUTYKLLYLLAX-UHFFFAOYSA-N 1 0 228.292 -0.623 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]CCC(=O)NCC#C ZINC000491628642 388306232 /nfs/dbraw/zinc/30/62/32/388306232.db2.gz NUDVCCVDXOFSJO-LLVKDONJSA-N 1 0 222.288 -0.510 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]CCC(=O)NCC#C ZINC000491628666 526754793 /nfs/dbraw/zinc/75/47/93/526754793.db2.gz NUDVCCVDXOFSJO-NSHDSACASA-N 1 0 222.288 -0.510 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCSC[C@@H]1CO ZINC000491628922 388306355 /nfs/dbraw/zinc/30/63/55/388306355.db2.gz LPMZZQRYQMKWDI-JTQLQIEISA-N 1 0 242.344 -0.464 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCSC[C@H]1CO ZINC000491628927 388306386 /nfs/dbraw/zinc/30/63/86/388306386.db2.gz LPMZZQRYQMKWDI-SNVBAGLBSA-N 1 0 242.344 -0.464 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@H](C)C[NH3+] ZINC000491629920 527421561 /nfs/dbraw/zinc/42/15/61/527421561.db2.gz MKMOXBSUDLQPJH-BDAKNGLRSA-N 1 0 211.265 -0.623 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@H](C)C[NH3+] ZINC000491629933 527302304 /nfs/dbraw/zinc/30/23/04/527302304.db2.gz MKMOXBSUDLQPJH-RKDXNWHRSA-N 1 0 211.265 -0.623 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)c1ccccn1 ZINC000491630213 526983082 /nfs/dbraw/zinc/98/30/82/526983082.db2.gz MSNKYULKDGSGSI-GFCCVEGCSA-N 1 0 247.298 -0.156 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)c1ccccn1 ZINC000491630215 526983524 /nfs/dbraw/zinc/98/35/24/526983524.db2.gz MSNKYULKDGSGSI-LBPRGKRZSA-N 1 0 247.298 -0.156 20 30 BBEDRO C#CCN(CC)C(=O)NCCN1CC[NH2+]CC1 ZINC000491630494 526888664 /nfs/dbraw/zinc/88/86/64/526888664.db2.gz PJEYBKBKCRFJOE-UHFFFAOYSA-N 1 0 238.335 -0.444 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000491631337 388306623 /nfs/dbraw/zinc/30/66/23/388306623.db2.gz NZSILSCZXWPQNL-IVZWLZJFSA-N 1 0 225.292 -0.234 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000491631345 388306783 /nfs/dbraw/zinc/30/67/83/388306783.db2.gz NZSILSCZXWPQNL-KXUCPTDWSA-N 1 0 225.292 -0.234 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000491631348 388306553 /nfs/dbraw/zinc/30/65/53/388306553.db2.gz NZSILSCZXWPQNL-LPEHRKFASA-N 1 0 225.292 -0.234 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000491631351 388306672 /nfs/dbraw/zinc/30/66/72/388306672.db2.gz NZSILSCZXWPQNL-OPRDCNLKSA-N 1 0 225.292 -0.234 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1COCCO1 ZINC000491632399 388306740 /nfs/dbraw/zinc/30/67/40/388306740.db2.gz QWYPCVAVHIVRHA-JTQLQIEISA-N 1 0 226.276 -0.869 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1COCCO1 ZINC000491632405 388306703 /nfs/dbraw/zinc/30/67/03/388306703.db2.gz QWYPCVAVHIVRHA-SNVBAGLBSA-N 1 0 226.276 -0.869 20 30 BBEDRO C#C[C@@H](C)[N@@H+](C)CCC(=O)NCC(=O)OC ZINC000491633219 566452212 /nfs/dbraw/zinc/45/22/12/566452212.db2.gz PODIEGFMBOHSSM-SECBINFHSA-N 1 0 226.276 -0.381 20 30 BBEDRO C#C[C@H](C)[N@@H+](C)CCC(=O)NCC(=O)OC ZINC000491633222 566452235 /nfs/dbraw/zinc/45/22/35/566452235.db2.gz PODIEGFMBOHSSM-VIFPVBQESA-N 1 0 226.276 -0.381 20 30 BBEDRO C#CCN(C)C(=O)CN1CC[NH+](CC)CC1 ZINC000491635467 385266973 /nfs/dbraw/zinc/26/69/73/385266973.db2.gz VCUJYYGOMKTSHI-UHFFFAOYSA-N 1 0 223.320 -0.285 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1COC[C@H]1OCC ZINC000491636663 388307375 /nfs/dbraw/zinc/30/73/75/388307375.db2.gz UZZVERQHUOJABH-GHMZBOCLSA-N 1 0 240.303 -0.481 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NCC1([NH3+])CCC1 ZINC000491637242 527418242 /nfs/dbraw/zinc/41/82/42/527418242.db2.gz UPARTCOYFRUWKD-JTQLQIEISA-N 1 0 237.303 -0.089 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NCC1([NH3+])CCC1 ZINC000491637247 527298228 /nfs/dbraw/zinc/29/82/28/527298228.db2.gz UPARTCOYFRUWKD-SNVBAGLBSA-N 1 0 237.303 -0.089 20 30 BBEDRO C#CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000491637333 527043089 /nfs/dbraw/zinc/04/30/89/527043089.db2.gz MGBMWTLUYBJVJU-UHFFFAOYSA-N 1 0 221.264 -0.620 20 30 BBEDRO C#C[C@@H](C)[N@@H+](C)CCCS(=O)(=O)NC ZINC000491637794 388307227 /nfs/dbraw/zinc/30/72/27/388307227.db2.gz UUJPBHLVLWEEMY-SECBINFHSA-N 1 0 218.322 -0.121 20 30 BBEDRO C#C[C@H](C)[N@@H+](C)CCCS(=O)(=O)NC ZINC000491637797 388307197 /nfs/dbraw/zinc/30/71/97/388307197.db2.gz UUJPBHLVLWEEMY-VIFPVBQESA-N 1 0 218.322 -0.121 20 30 BBEDRO C#CCN(CC#CC)C(=O)NCC[NH2+]C ZINC000491638226 388307445 /nfs/dbraw/zinc/30/74/45/388307445.db2.gz NKDMCLGNTAAVAF-UHFFFAOYSA-N 1 0 207.277 -0.126 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000491638528 526979090 /nfs/dbraw/zinc/97/90/90/526979090.db2.gz VYSAZUPTDUZYOW-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000491638531 526979994 /nfs/dbraw/zinc/97/99/94/526979994.db2.gz VYSAZUPTDUZYOW-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000491638967 526980035 /nfs/dbraw/zinc/98/00/35/526980035.db2.gz VYSAZUPTDUZYOW-QWRGUYRKSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000491638969 526978617 /nfs/dbraw/zinc/97/86/17/526978617.db2.gz VYSAZUPTDUZYOW-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCN(CC)C(=O)NCC[NH2+]CCOC ZINC000491639179 526888848 /nfs/dbraw/zinc/88/88/48/526888848.db2.gz WUBDUHQAGGICLR-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCCNC(C)=O ZINC000491639372 526982039 /nfs/dbraw/zinc/98/20/39/526982039.db2.gz WLCVQEQDWWXYKB-UHFFFAOYSA-N 1 0 225.292 -0.758 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)CCC ZINC000491640423 398052695 /nfs/dbraw/zinc/05/26/95/398052695.db2.gz OLZAZBOYTYZEEJ-JTQLQIEISA-N 1 0 212.293 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)CCC ZINC000491640427 526983591 /nfs/dbraw/zinc/98/35/91/526983591.db2.gz OLZAZBOYTYZEEJ-SNVBAGLBSA-N 1 0 212.293 -0.124 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1COC(=O)C1 ZINC000491641316 491079630 /nfs/dbraw/zinc/07/96/30/491079630.db2.gz ZXWKIXIFQMUQEJ-JTQLQIEISA-N 1 0 238.287 -0.379 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1COC(=O)C1 ZINC000491641319 491079613 /nfs/dbraw/zinc/07/96/13/491079613.db2.gz ZXWKIXIFQMUQEJ-SNVBAGLBSA-N 1 0 238.287 -0.379 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1COC[C@H]1OC ZINC000491642232 398053803 /nfs/dbraw/zinc/05/38/03/398053803.db2.gz AMAATQGQQZHRMY-NXEZZACHSA-N 1 0 226.276 -0.871 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)c1ncn(C)n1 ZINC000491645023 526825724 /nfs/dbraw/zinc/82/57/24/526825724.db2.gz MREDJHPKXAOTCV-UHFFFAOYSA-N 1 0 235.291 -0.500 20 30 BBEDRO C#CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000491645673 527008310 /nfs/dbraw/zinc/00/83/10/527008310.db2.gz PWWDGMHGJOLAMT-GHMZBOCLSA-N 1 0 239.319 -0.284 20 30 BBEDRO C#CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000491645674 527008711 /nfs/dbraw/zinc/00/87/11/527008711.db2.gz PWWDGMHGJOLAMT-MNOVXSKESA-N 1 0 239.319 -0.284 20 30 BBEDRO C#CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000491645675 527009171 /nfs/dbraw/zinc/00/91/71/527009171.db2.gz PWWDGMHGJOLAMT-QWRGUYRKSA-N 1 0 239.319 -0.284 20 30 BBEDRO C#CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000491645676 527009008 /nfs/dbraw/zinc/00/90/08/527009008.db2.gz PWWDGMHGJOLAMT-WDEREUQCSA-N 1 0 239.319 -0.284 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)C1(CO)COC1 ZINC000491652214 388308127 /nfs/dbraw/zinc/30/81/27/388308127.db2.gz AKQLYNQDEZZAQZ-UHFFFAOYSA-N 1 0 240.303 -0.933 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC(=O)N(C)CC ZINC000491652504 388308164 /nfs/dbraw/zinc/30/81/64/388308164.db2.gz AREHYEXINCNUJO-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO C#CCN(CC#N)C[C@H](O)C[N@@H+](C)CC ZINC000491656206 388308684 /nfs/dbraw/zinc/30/86/84/388308684.db2.gz AYHGYUNJTZQUMO-LLVKDONJSA-N 1 0 209.293 -0.242 20 30 BBEDRO C#CCN(CC#N)C[C@@H](O)C[N@@H+](C)CC ZINC000491656214 388308424 /nfs/dbraw/zinc/30/84/24/388308424.db2.gz AYHGYUNJTZQUMO-NSHDSACASA-N 1 0 209.293 -0.242 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)CCNC(N)=O ZINC000491656709 388308606 /nfs/dbraw/zinc/30/86/06/388308606.db2.gz FAKPUUSTCDSDHA-UHFFFAOYSA-N 1 0 240.307 -0.884 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCN(C)C1=O ZINC000491657526 385383947 /nfs/dbraw/zinc/38/39/47/385383947.db2.gz GKHDPPSZWUNVRX-JTQLQIEISA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC000491657529 385383672 /nfs/dbraw/zinc/38/36/72/385383672.db2.gz GKHDPPSZWUNVRX-SNVBAGLBSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCN(C)CCC[NH2+]CCC(=O)NC(N)=O ZINC000491659224 388308836 /nfs/dbraw/zinc/30/88/36/388308836.db2.gz MQNJJONVMQVEAA-UHFFFAOYSA-N 1 0 240.307 -0.884 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CCOC ZINC000491660730 526987398 /nfs/dbraw/zinc/98/73/98/526987398.db2.gz DXKFGXFDSKWEIP-JTQLQIEISA-N 1 0 228.292 -0.887 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CCOC ZINC000491660733 526985986 /nfs/dbraw/zinc/98/59/86/526985986.db2.gz DXKFGXFDSKWEIP-SNVBAGLBSA-N 1 0 228.292 -0.887 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CCOC)COC ZINC000491660751 526987192 /nfs/dbraw/zinc/98/71/92/526987192.db2.gz MYNGIDSFOYUZTI-LLVKDONJSA-N 1 0 242.319 -0.233 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CCOC)COC ZINC000491660753 526986627 /nfs/dbraw/zinc/98/66/27/526986627.db2.gz MYNGIDSFOYUZTI-NSHDSACASA-N 1 0 242.319 -0.233 20 30 BBEDRO C#C[C@H]1COCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000491661168 385400809 /nfs/dbraw/zinc/40/08/09/385400809.db2.gz DFYBATSBMMQFCM-AAEUAGOBSA-N 1 0 238.331 -0.225 20 30 BBEDRO C#C[C@@H]1COCCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000491661180 259369103 /nfs/dbraw/zinc/36/91/03/259369103.db2.gz DFYBATSBMMQFCM-DGCLKSJQSA-N 1 0 238.331 -0.225 20 30 BBEDRO C#C[C@@H]1COCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000491661187 259369164 /nfs/dbraw/zinc/36/91/64/259369164.db2.gz DFYBATSBMMQFCM-YPMHNXCESA-N 1 0 238.331 -0.225 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)CC(=O)NCC ZINC000491661312 526802975 /nfs/dbraw/zinc/80/29/75/526802975.db2.gz FRDZJHRJCVMKGY-UHFFFAOYSA-N 1 0 239.319 -0.416 20 30 BBEDRO C#CC[N@@H+](CCCS(N)(=O)=O)C1CC1 ZINC000491661771 711850165 /nfs/dbraw/zinc/85/01/65/711850165.db2.gz POUYEIPFIZIDJP-UHFFFAOYSA-N 1 0 216.306 -0.237 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@@H](C)C[NH+](C)C ZINC000491662087 411395263 /nfs/dbraw/zinc/39/52/63/411395263.db2.gz LJPYJPGEORINMB-QWRGUYRKSA-N 1 0 239.319 -0.020 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)C[NH+](C)C ZINC000491662090 411395111 /nfs/dbraw/zinc/39/51/11/411395111.db2.gz LJPYJPGEORINMB-WDEREUQCSA-N 1 0 239.319 -0.020 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)/C=C\C[NH+](C)C ZINC000491663284 388309139 /nfs/dbraw/zinc/30/91/39/388309139.db2.gz PITSENLQKBHCHT-GZTOBOFZSA-N 1 0 222.288 -0.035 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)/C=C\C[NH+](C)C ZINC000491663292 388309304 /nfs/dbraw/zinc/30/93/04/388309304.db2.gz PITSENLQKBHCHT-ISALQUGTSA-N 1 0 222.288 -0.035 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)/C=C/C[NH+](C)C ZINC000491663295 388309104 /nfs/dbraw/zinc/30/91/04/388309104.db2.gz PITSENLQKBHCHT-MVIFTORASA-N 1 0 222.288 -0.035 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)/C=C/C[NH+](C)C ZINC000491663298 388309085 /nfs/dbraw/zinc/30/90/85/388309085.db2.gz PITSENLQKBHCHT-QRGHLMKCSA-N 1 0 222.288 -0.035 20 30 BBEDRO C#CCN(C(=O)C(=O)NC1C[NH2+]C1)C1CCCC1 ZINC000491664638 388309409 /nfs/dbraw/zinc/30/94/09/388309409.db2.gz FJUVNPPPJXENSP-UHFFFAOYSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000491665328 388309454 /nfs/dbraw/zinc/30/94/54/388309454.db2.gz UMVVDODBJJWBBD-JTQLQIEISA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000491665330 388309406 /nfs/dbraw/zinc/30/94/06/388309406.db2.gz UMVVDODBJJWBBD-SNVBAGLBSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)COCC(C)C ZINC000491666748 398056835 /nfs/dbraw/zinc/05/68/35/398056835.db2.gz UFBOADHBMSLLTM-GHMZBOCLSA-N 1 0 215.293 -0.396 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)COCC(C)C ZINC000491666762 398056775 /nfs/dbraw/zinc/05/67/75/398056775.db2.gz UFBOADHBMSLLTM-MNOVXSKESA-N 1 0 215.293 -0.396 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)COCC(C)C ZINC000491666764 398056494 /nfs/dbraw/zinc/05/64/94/398056494.db2.gz UFBOADHBMSLLTM-QWRGUYRKSA-N 1 0 215.293 -0.396 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)COCC(C)C ZINC000491666766 398056234 /nfs/dbraw/zinc/05/62/34/398056234.db2.gz UFBOADHBMSLLTM-WDEREUQCSA-N 1 0 215.293 -0.396 20 30 BBEDRO C#CCN1C(=O)C[C@H]([NH2+]CCn2cccn2)C1=O ZINC000491667233 398056654 /nfs/dbraw/zinc/05/66/54/398056654.db2.gz MPDYBHJNERYYST-JTQLQIEISA-N 1 0 246.270 -0.767 20 30 BBEDRO C#CCN1C(=O)C[C@@H]([NH2+]CCn2cccn2)C1=O ZINC000491667250 398056605 /nfs/dbraw/zinc/05/66/05/398056605.db2.gz MPDYBHJNERYYST-SNVBAGLBSA-N 1 0 246.270 -0.767 20 30 BBEDRO C#CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000491669449 527042925 /nfs/dbraw/zinc/04/29/25/527042925.db2.gz PNBDHIKNCGXIMG-SECBINFHSA-N 1 0 233.275 -0.434 20 30 BBEDRO C#CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000491669452 527043543 /nfs/dbraw/zinc/04/35/43/527043543.db2.gz PNBDHIKNCGXIMG-VIFPVBQESA-N 1 0 233.275 -0.434 20 30 BBEDRO C#CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000491671804 388309884 /nfs/dbraw/zinc/30/98/84/388309884.db2.gz OGIYLQBCFJSBJU-UHFFFAOYSA-N 1 0 220.276 -0.192 20 30 BBEDRO C#CC[N@H+](C)CCCOC(=O)NC(N)=O ZINC000491674588 388310061 /nfs/dbraw/zinc/31/00/61/388310061.db2.gz SHIXWTIIZZMHFK-UHFFFAOYSA-N 1 0 213.237 -0.254 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@@](C)(O)COC ZINC000491676719 388310224 /nfs/dbraw/zinc/31/02/24/388310224.db2.gz XBWJMQFHTAXNLE-GFCCVEGCSA-N 1 0 242.319 -0.497 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@](C)(O)COC ZINC000491676723 388310158 /nfs/dbraw/zinc/31/01/58/388310158.db2.gz XBWJMQFHTAXNLE-LBPRGKRZSA-N 1 0 242.319 -0.497 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C[S@@](C)=O ZINC000491677803 388310201 /nfs/dbraw/zinc/31/02/01/388310201.db2.gz ZUQKFVALZLJEJC-BJOHPYRUSA-N 1 0 230.333 -0.518 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)C[S@](C)=O ZINC000491677804 388310215 /nfs/dbraw/zinc/31/02/15/388310215.db2.gz ZUQKFVALZLJEJC-PSLIRLAXSA-N 1 0 230.333 -0.518 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)C[S@@](C)=O ZINC000491677805 488036645 /nfs/dbraw/zinc/03/66/45/488036645.db2.gz ZUQKFVALZLJEJC-RFAUZJTJSA-N 1 0 230.333 -0.518 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C[S@](C)=O ZINC000491677806 398056464 /nfs/dbraw/zinc/05/64/64/398056464.db2.gz ZUQKFVALZLJEJC-VFZGTOFNSA-N 1 0 230.333 -0.518 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]2O)CC1 ZINC000491678378 385465872 /nfs/dbraw/zinc/46/58/72/385465872.db2.gz BBNYBPKGWMOIFO-VXGBXAGGSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1O ZINC000491678948 388310343 /nfs/dbraw/zinc/31/03/43/388310343.db2.gz CONLJURANPWLMI-NXEZZACHSA-N 1 0 210.277 -0.371 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCN(C)CCOC ZINC000491682247 526981892 /nfs/dbraw/zinc/98/18/92/526981892.db2.gz QUUZRRIKEPQMHV-UHFFFAOYSA-N 1 0 241.335 -0.706 20 30 BBEDRO C#C[C@H]1COCCN1C(=S)NCC[NH+](C)C ZINC000491688257 388310901 /nfs/dbraw/zinc/31/09/01/388310901.db2.gz ABCIRWLGYIVJMA-JTQLQIEISA-N 1 0 241.360 -0.244 20 30 BBEDRO C#C[C@@H]1COCCN1C(=S)NCC[NH+](C)C ZINC000491688258 388311015 /nfs/dbraw/zinc/31/10/15/388311015.db2.gz ABCIRWLGYIVJMA-SNVBAGLBSA-N 1 0 241.360 -0.244 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000491688710 388311018 /nfs/dbraw/zinc/31/10/18/388311018.db2.gz CWDZWKFMFRGIPK-JTQLQIEISA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000491688711 388311017 /nfs/dbraw/zinc/31/10/17/388311017.db2.gz CWDZWKFMFRGIPK-SNVBAGLBSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCN(C)CCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000491688858 388310873 /nfs/dbraw/zinc/31/08/73/388310873.db2.gz FFSVNZCFEUDDOS-LLVKDONJSA-N 1 0 246.376 -0.036 20 30 BBEDRO C#CCN(C)CCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000491688859 388311056 /nfs/dbraw/zinc/31/10/56/388311056.db2.gz FFSVNZCFEUDDOS-NSHDSACASA-N 1 0 246.376 -0.036 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)NOCCCO)CC1 ZINC000491689232 526927604 /nfs/dbraw/zinc/92/76/04/526927604.db2.gz HLJKSXWKXMKGIW-UHFFFAOYSA-N 1 0 240.303 -0.238 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC1(CC(N)=O)CC1 ZINC000491690240 526981917 /nfs/dbraw/zinc/98/19/17/526981917.db2.gz CHFXMQYHUCQDHT-UHFFFAOYSA-N 1 0 237.303 -0.629 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](C(=O)OC)C1 ZINC000491691526 385490139 /nfs/dbraw/zinc/49/01/39/385490139.db2.gz GPXOARVMFZDVTD-AOOOYVTPSA-N 1 0 238.287 -0.333 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCOCCOC ZINC000491691963 388311266 /nfs/dbraw/zinc/31/12/66/388311266.db2.gz GNKJCWPIWKNRPZ-UHFFFAOYSA-N 1 0 228.292 -0.622 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000491692181 388311412 /nfs/dbraw/zinc/31/14/12/388311412.db2.gz ICEIKPHKNXRRKY-LLVKDONJSA-N 1 0 246.314 -0.004 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000491692182 388311418 /nfs/dbraw/zinc/31/14/18/388311418.db2.gz ICEIKPHKNXRRKY-NSHDSACASA-N 1 0 246.314 -0.004 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000491693901 385509427 /nfs/dbraw/zinc/50/94/27/385509427.db2.gz DWDHONVYYVJOJV-WDEREUQCSA-N 1 0 222.288 -0.348 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000491694631 388311842 /nfs/dbraw/zinc/31/18/42/388311842.db2.gz VZMMEIYEFXMPIL-NXEZZACHSA-N 1 0 247.302 -0.268 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000491694636 388311701 /nfs/dbraw/zinc/31/17/01/388311701.db2.gz VZMMEIYEFXMPIL-UWVGGRQHSA-N 1 0 247.302 -0.268 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000491694637 388311613 /nfs/dbraw/zinc/31/16/13/388311613.db2.gz VZMMEIYEFXMPIL-VHSXEESVSA-N 1 0 247.302 -0.268 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000491694639 388311649 /nfs/dbraw/zinc/31/16/49/388311649.db2.gz VZMMEIYEFXMPIL-ZJUUUORDSA-N 1 0 247.302 -0.268 20 30 BBEDRO C#CC[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000491695055 388311755 /nfs/dbraw/zinc/31/17/55/388311755.db2.gz GWWZQLSDPQQSDQ-NEPJUHHUSA-N 1 0 227.304 -0.035 20 30 BBEDRO C#CC[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000491695056 388311721 /nfs/dbraw/zinc/31/17/21/388311721.db2.gz GWWZQLSDPQQSDQ-NWDGAFQWSA-N 1 0 227.304 -0.035 20 30 BBEDRO C#CC[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000491695058 388311819 /nfs/dbraw/zinc/31/18/19/388311819.db2.gz GWWZQLSDPQQSDQ-RYUDHWBXSA-N 1 0 227.304 -0.035 20 30 BBEDRO C#CC[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000491695062 388311858 /nfs/dbraw/zinc/31/18/58/388311858.db2.gz GWWZQLSDPQQSDQ-VXGBXAGGSA-N 1 0 227.304 -0.035 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCc1cnccn1 ZINC000491696204 388312068 /nfs/dbraw/zinc/31/20/68/388312068.db2.gz IURLVLARLMBYHZ-UHFFFAOYSA-N 1 0 232.287 -0.252 20 30 BBEDRO C#CCNS(=O)(=O)CC[NH+](CC)CC ZINC000491696551 259374863 /nfs/dbraw/zinc/37/48/63/259374863.db2.gz QAZNBCIKQHQJLO-UHFFFAOYSA-N 1 0 218.322 -0.119 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@H]1CO ZINC000491700852 526987586 /nfs/dbraw/zinc/98/75/86/526987586.db2.gz PIAODPJGDJRYIC-QWRGUYRKSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#C[C@@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000491701325 385566630 /nfs/dbraw/zinc/56/66/30/385566630.db2.gz WKFQSSCCDVVSFC-GXSJLCMTSA-N 1 0 212.293 -0.975 20 30 BBEDRO C#C[C@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000491701340 385566568 /nfs/dbraw/zinc/56/65/68/385566568.db2.gz WKFQSSCCDVVSFC-KOLCDFICSA-N 1 0 212.293 -0.975 20 30 BBEDRO C#C[C@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000491701342 385566784 /nfs/dbraw/zinc/56/67/84/385566784.db2.gz WKFQSSCCDVVSFC-MWLCHTKSSA-N 1 0 212.293 -0.975 20 30 BBEDRO C#C[C@@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000491701363 385566756 /nfs/dbraw/zinc/56/67/56/385566756.db2.gz WKFQSSCCDVVSFC-ONGXEEELSA-N 1 0 212.293 -0.975 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000491701666 388312578 /nfs/dbraw/zinc/31/25/78/388312578.db2.gz VBJJLMNDIPQBKY-UKKRHICBSA-N 1 0 235.287 -0.752 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000491701674 388312596 /nfs/dbraw/zinc/31/25/96/388312596.db2.gz VBJJLMNDIPQBKY-ZNSHCXBVSA-N 1 0 235.287 -0.752 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000491701779 388312569 /nfs/dbraw/zinc/31/25/69/388312569.db2.gz HRZIRMUIDKJNBK-QWRGUYRKSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000491701781 388312727 /nfs/dbraw/zinc/31/27/27/388312727.db2.gz HRZIRMUIDKJNBK-WDEREUQCSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](COC)OC ZINC000491703058 388312864 /nfs/dbraw/zinc/31/28/64/388312864.db2.gz WSABOSLIPOMZNW-JTQLQIEISA-N 1 0 228.292 -0.623 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](COC)OC ZINC000491703060 388312800 /nfs/dbraw/zinc/31/28/00/388312800.db2.gz WSABOSLIPOMZNW-SNVBAGLBSA-N 1 0 228.292 -0.623 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000491703422 388312823 /nfs/dbraw/zinc/31/28/23/388312823.db2.gz WZFKFJRBXSPCDP-LLVKDONJSA-N 1 0 235.331 -0.048 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(C2CC2)C1 ZINC000491703426 526987163 /nfs/dbraw/zinc/98/71/63/526987163.db2.gz WZFKFJRBXSPCDP-NSHDSACASA-N 1 0 235.331 -0.048 20 30 BBEDRO C#CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000491703456 388312976 /nfs/dbraw/zinc/31/29/76/388312976.db2.gz SQZLXONBUUEPAA-WDEREUQCSA-N 1 0 247.302 -0.511 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(C(N)=O)o1 ZINC000491704906 398061478 /nfs/dbraw/zinc/06/14/78/398061478.db2.gz UXWFAIFKDQNIDX-UHFFFAOYSA-N 1 0 249.270 -0.392 20 30 BBEDRO C#CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000491705242 388313108 /nfs/dbraw/zinc/31/31/08/388313108.db2.gz ZIDYGSLUMWFGJH-GHMZBOCLSA-N 1 0 239.319 -0.284 20 30 BBEDRO C#CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000491705243 385575030 /nfs/dbraw/zinc/57/50/30/385575030.db2.gz ZIDYGSLUMWFGJH-MNOVXSKESA-N 1 0 239.319 -0.284 20 30 BBEDRO C#CCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000491705255 385574894 /nfs/dbraw/zinc/57/48/94/385574894.db2.gz ZIDYGSLUMWFGJH-QWRGUYRKSA-N 1 0 239.319 -0.284 20 30 BBEDRO C#CCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000491705257 385574748 /nfs/dbraw/zinc/57/47/48/385574748.db2.gz ZIDYGSLUMWFGJH-WDEREUQCSA-N 1 0 239.319 -0.284 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)O[C@H]2CNOC2)CC1 ZINC000491706593 388313327 /nfs/dbraw/zinc/31/33/27/388313327.db2.gz DZYAQXXHHOONIP-NSHDSACASA-N 1 0 238.287 -0.222 20 30 BBEDRO C#CCN(C)C(=O)NCCOCC[NH+](C)C ZINC000491707885 388313560 /nfs/dbraw/zinc/31/35/60/388313560.db2.gz PDKTZRKFVYCTJL-UHFFFAOYSA-N 1 0 227.308 -0.161 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[C@H]1O ZINC000491708530 385606085 /nfs/dbraw/zinc/60/60/85/385606085.db2.gz QADNUQMZJQXVLP-WDEREUQCSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CC(C)(C(=O)OC)C1 ZINC000491708717 488038536 /nfs/dbraw/zinc/03/85/36/488038536.db2.gz HQEZXNWASAUMRA-UHFFFAOYSA-N 1 0 238.287 -0.379 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)CCO ZINC000491711398 526982555 /nfs/dbraw/zinc/98/25/55/526982555.db2.gz UNLBFRNEJWHTPI-JTQLQIEISA-N 1 0 212.293 -0.266 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)CCO ZINC000491711400 526984309 /nfs/dbraw/zinc/98/43/09/526984309.db2.gz UNLBFRNEJWHTPI-SNVBAGLBSA-N 1 0 212.293 -0.266 20 30 BBEDRO C#CC[N@H+](CC)CCN1C(=O)N[C@H](C)C1=O ZINC000491711699 388314086 /nfs/dbraw/zinc/31/40/86/388314086.db2.gz VJEWMVCNOPATGP-SECBINFHSA-N 1 0 223.276 -0.118 20 30 BBEDRO C#CC[N@H+](CC)CCN1C(=O)N[C@@H](C)C1=O ZINC000491711701 388314031 /nfs/dbraw/zinc/31/40/31/388314031.db2.gz VJEWMVCNOPATGP-VIFPVBQESA-N 1 0 223.276 -0.118 20 30 BBEDRO C#C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCO1)C(C)C ZINC000491711732 388314072 /nfs/dbraw/zinc/31/40/72/388314072.db2.gz VLHSNXZTPREMQC-GHMZBOCLSA-N 1 0 239.319 -0.068 20 30 BBEDRO C#C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)C(C)C ZINC000491711733 388314063 /nfs/dbraw/zinc/31/40/63/388314063.db2.gz VLHSNXZTPREMQC-MNOVXSKESA-N 1 0 239.319 -0.068 20 30 BBEDRO C#C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)C(C)C ZINC000491711734 527393257 /nfs/dbraw/zinc/39/32/57/527393257.db2.gz VLHSNXZTPREMQC-QWRGUYRKSA-N 1 0 239.319 -0.068 20 30 BBEDRO C#C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)C(C)C ZINC000491711735 527277179 /nfs/dbraw/zinc/27/71/79/527277179.db2.gz VLHSNXZTPREMQC-WDEREUQCSA-N 1 0 239.319 -0.068 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NCC(F)(F)CN ZINC000491712839 388313978 /nfs/dbraw/zinc/31/39/78/388313978.db2.gz ZDTLEOCBIQHPBJ-MRVPVSSYSA-N 1 0 247.245 -0.376 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NCC(F)(F)CN ZINC000491712840 388314104 /nfs/dbraw/zinc/31/41/04/388314104.db2.gz ZDTLEOCBIQHPBJ-QMMMGPOBSA-N 1 0 247.245 -0.376 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCCN(C)CC#C ZINC000491716728 385651216 /nfs/dbraw/zinc/65/12/16/385651216.db2.gz UNTKPAQOSUKKOP-UHFFFAOYSA-N 1 0 235.331 -0.329 20 30 BBEDRO C#CCN(CC#C)C[C@H](O)C[N@@H+](C)CCOC ZINC000491724583 388314968 /nfs/dbraw/zinc/31/49/68/388314968.db2.gz GAULGVBRXIYHLI-CYBMUJFWSA-N 1 0 238.331 -0.506 20 30 BBEDRO C#CCN(CC#C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491724584 388314871 /nfs/dbraw/zinc/31/48/71/388314871.db2.gz GAULGVBRXIYHLI-ZDUSSCGKSA-N 1 0 238.331 -0.506 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@H](C)CO ZINC000491728015 526987210 /nfs/dbraw/zinc/98/72/10/526987210.db2.gz GUMCFOPWNFRNOC-NXEZZACHSA-N 1 0 212.293 -0.268 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H](C)CO ZINC000491728018 388315269 /nfs/dbraw/zinc/31/52/69/388315269.db2.gz GUMCFOPWNFRNOC-UWVGGRQHSA-N 1 0 212.293 -0.268 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@@H](C)CO ZINC000491728019 388315259 /nfs/dbraw/zinc/31/52/59/388315259.db2.gz GUMCFOPWNFRNOC-VHSXEESVSA-N 1 0 212.293 -0.268 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@H](C)CO ZINC000491728021 388315261 /nfs/dbraw/zinc/31/52/61/388315261.db2.gz GUMCFOPWNFRNOC-ZJUUUORDSA-N 1 0 212.293 -0.268 20 30 BBEDRO C#C[C@@H](C)[N@H+](C)CCN1C(=O)CNC1=O ZINC000491728658 388315566 /nfs/dbraw/zinc/31/55/66/388315566.db2.gz HTOONFFDEHVQOT-MRVPVSSYSA-N 1 0 209.249 -0.508 20 30 BBEDRO C#C[C@H](C)[N@H+](C)CCN1C(=O)CNC1=O ZINC000491728660 388315670 /nfs/dbraw/zinc/31/56/70/388315670.db2.gz HTOONFFDEHVQOT-QMMMGPOBSA-N 1 0 209.249 -0.508 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)OCCO ZINC000491731108 388315800 /nfs/dbraw/zinc/31/58/00/388315800.db2.gz PNYRVULFHADONE-UHFFFAOYSA-N 1 0 242.319 -0.497 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1COC[C@H]1OCC ZINC000491732300 388315938 /nfs/dbraw/zinc/31/59/38/388315938.db2.gz JKNSWTCRABCCHP-GMTAPVOTSA-N 1 0 240.303 -0.482 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1COC[C@H]1OCC ZINC000491732309 388315884 /nfs/dbraw/zinc/31/58/84/388315884.db2.gz JKNSWTCRABCCHP-HBNTYKKESA-N 1 0 240.303 -0.482 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCSCCCO ZINC000491733262 388316292 /nfs/dbraw/zinc/31/62/92/388316292.db2.gz DAHXMZSAHPFPLO-UHFFFAOYSA-N 1 0 244.360 -0.169 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CCSC ZINC000491734932 388316207 /nfs/dbraw/zinc/31/62/07/388316207.db2.gz CFAFSJAPTSDBLT-JTQLQIEISA-N 1 0 244.360 -0.171 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CCSC ZINC000491734934 388316063 /nfs/dbraw/zinc/31/60/63/388316063.db2.gz CFAFSJAPTSDBLT-SNVBAGLBSA-N 1 0 244.360 -0.171 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H](C)C[NH3+] ZINC000491735382 527300732 /nfs/dbraw/zinc/30/07/32/527300732.db2.gz PZBHRXSUDUYRQX-NXEZZACHSA-N 1 0 225.292 -0.375 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000491735384 388316252 /nfs/dbraw/zinc/31/62/52/388316252.db2.gz PZBHRXSUDUYRQX-UWVGGRQHSA-N 1 0 225.292 -0.375 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000491735385 388316240 /nfs/dbraw/zinc/31/62/40/388316240.db2.gz PZBHRXSUDUYRQX-VHSXEESVSA-N 1 0 225.292 -0.375 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@H](C)C[NH3+] ZINC000491735387 388316181 /nfs/dbraw/zinc/31/61/81/388316181.db2.gz PZBHRXSUDUYRQX-ZJUUUORDSA-N 1 0 225.292 -0.375 20 30 BBEDRO C#C[C@@H](CO)[NH2+]CCC(=O)Nc1cccnc1 ZINC000491735444 388316197 /nfs/dbraw/zinc/31/61/97/388316197.db2.gz MJGHVWBOTCQAQT-JTQLQIEISA-N 1 0 233.271 -0.006 20 30 BBEDRO C#C[C@H](CO)[NH2+]CCC(=O)Nc1cccnc1 ZINC000491735445 388316079 /nfs/dbraw/zinc/31/60/79/388316079.db2.gz MJGHVWBOTCQAQT-SNVBAGLBSA-N 1 0 233.271 -0.006 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CCO)CSC ZINC000491738082 388316578 /nfs/dbraw/zinc/31/65/78/388316578.db2.gz BZNGTRNATGIIJY-JTQLQIEISA-N 1 0 244.360 -0.171 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CCO)CSC ZINC000491738084 388316625 /nfs/dbraw/zinc/31/66/25/388316625.db2.gz BZNGTRNATGIIJY-SNVBAGLBSA-N 1 0 244.360 -0.171 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1cc(C(N)=O)co1 ZINC000491739062 388316604 /nfs/dbraw/zinc/31/66/04/388316604.db2.gz IYUZXTBPAGFZCR-UHFFFAOYSA-N 1 0 249.270 -0.392 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)c1nc(C)nn1C ZINC000491740755 388317071 /nfs/dbraw/zinc/31/70/71/388317071.db2.gz VCPMVMCBRAHQID-UHFFFAOYSA-N 1 0 249.318 -0.192 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C1(CC(=O)OC)CC1 ZINC000491741127 388316989 /nfs/dbraw/zinc/31/69/89/388316989.db2.gz ZDDMYQBJFJGNIC-UHFFFAOYSA-N 1 0 238.287 -0.189 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@H](O)COC ZINC000491741891 526981929 /nfs/dbraw/zinc/98/19/29/526981929.db2.gz ZVDXRLCCMCQILT-JTQLQIEISA-N 1 0 228.292 -0.887 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@@H](O)COC ZINC000491741892 388317039 /nfs/dbraw/zinc/31/70/39/388317039.db2.gz ZVDXRLCCMCQILT-SNVBAGLBSA-N 1 0 228.292 -0.887 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCn1cncn1 ZINC000491742652 388317084 /nfs/dbraw/zinc/31/70/84/388317084.db2.gz WTTSXGDWXFNCPB-UHFFFAOYSA-N 1 0 221.264 -0.993 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NCC(C)(C)[NH3+] ZINC000491744520 491080594 /nfs/dbraw/zinc/08/05/94/491080594.db2.gz XQTJXHVZMXSVPS-SECBINFHSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NCC(C)(C)[NH3+] ZINC000491744523 491080605 /nfs/dbraw/zinc/08/06/05/491080605.db2.gz XQTJXHVZMXSVPS-VIFPVBQESA-N 1 0 225.292 -0.233 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000491744833 398064456 /nfs/dbraw/zinc/06/44/56/398064456.db2.gz ZTDHTSQIXQYFGK-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000491746210 324159506 /nfs/dbraw/zinc/15/95/06/324159506.db2.gz YHLIQMYFLWISMD-NSHDSACASA-N 1 0 240.351 -0.070 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCN(CC)CCO ZINC000491746526 388317266 /nfs/dbraw/zinc/31/72/66/388317266.db2.gz LPNOBUQACRVSAQ-UHFFFAOYSA-N 1 0 241.335 -0.970 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H]([NH3+])CC ZINC000491746874 388317197 /nfs/dbraw/zinc/31/71/97/388317197.db2.gz REORIXGBJZRASS-NXEZZACHSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@@H]([NH3+])CC ZINC000491746875 388317288 /nfs/dbraw/zinc/31/72/88/388317288.db2.gz REORIXGBJZRASS-UWVGGRQHSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@@H]([NH3+])CC ZINC000491746876 388317404 /nfs/dbraw/zinc/31/74/04/388317404.db2.gz REORIXGBJZRASS-VHSXEESVSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@H]([NH3+])CC ZINC000491746877 388317386 /nfs/dbraw/zinc/31/73/86/388317386.db2.gz REORIXGBJZRASS-ZJUUUORDSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000491748411 388317280 /nfs/dbraw/zinc/31/72/80/388317280.db2.gz OIJPLBCTRKGEAF-BQBZGAKWSA-N 1 0 211.183 -0.117 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CC(F)(F)F ZINC000491748413 388317365 /nfs/dbraw/zinc/31/73/65/388317365.db2.gz OIJPLBCTRKGEAF-NKWVEPMBSA-N 1 0 211.183 -0.117 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CC(F)(F)F ZINC000491748415 388317318 /nfs/dbraw/zinc/31/73/18/388317318.db2.gz OIJPLBCTRKGEAF-RNFRBKRXSA-N 1 0 211.183 -0.117 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000491748417 388317164 /nfs/dbraw/zinc/31/71/64/388317164.db2.gz OIJPLBCTRKGEAF-RQJHMYQMSA-N 1 0 211.183 -0.117 20 30 BBEDRO C#CCN(CC#C)C[C@H](O)C[N@@H+](C)CC ZINC000491750959 526846155 /nfs/dbraw/zinc/84/61/55/526846155.db2.gz XBQPSJNCKFWAJO-GFCCVEGCSA-N 1 0 208.305 -0.133 20 30 BBEDRO C#CCN(CC#C)C[C@@H](O)C[N@@H+](C)CC ZINC000491750962 388317555 /nfs/dbraw/zinc/31/75/55/388317555.db2.gz XBQPSJNCKFWAJO-LBPRGKRZSA-N 1 0 208.305 -0.133 20 30 BBEDRO C#CCN(CC)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000491752031 388317841 /nfs/dbraw/zinc/31/78/41/388317841.db2.gz VMMKJYJDERGGKH-MYJAWHEDSA-N 1 0 207.277 -0.131 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@@H](C(N)=O)C1 ZINC000491757707 526988306 /nfs/dbraw/zinc/98/83/06/526988306.db2.gz FKJJFMVJCOUAMA-ZJUUUORDSA-N 1 0 237.303 -0.631 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCc1cn[nH]c1 ZINC000491758139 388318401 /nfs/dbraw/zinc/31/84/01/388318401.db2.gz HHOHLPCQDCIHOV-UHFFFAOYSA-N 1 0 220.276 -0.319 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)C(C)C ZINC000491758574 388318576 /nfs/dbraw/zinc/31/85/76/388318576.db2.gz IFTNVWLBNRKKHV-JTQLQIEISA-N 1 0 212.293 -0.268 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)C(C)C ZINC000491758575 526982884 /nfs/dbraw/zinc/98/28/84/526982884.db2.gz IFTNVWLBNRKKHV-SNVBAGLBSA-N 1 0 212.293 -0.268 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCn2nncc2C1 ZINC000491758720 388318519 /nfs/dbraw/zinc/31/85/19/388318519.db2.gz JIRDMLSEZGQUFP-UHFFFAOYSA-N 1 0 233.275 -0.767 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C1(CO)CC1 ZINC000491759563 388316270 /nfs/dbraw/zinc/31/62/70/388316270.db2.gz NJTVGXVVKQJHFJ-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#C[C@@H](C)N(C)CN1CC(=O)N(C)C1=O ZINC000491761322 388318611 /nfs/dbraw/zinc/31/86/11/388318611.db2.gz VKLFGWHOEUOSHJ-MRVPVSSYSA-N 1 0 209.249 -0.209 20 30 BBEDRO C#C[C@H](C)N(C)CN1CC(=O)N(C)C1=O ZINC000491761323 388318767 /nfs/dbraw/zinc/31/87/67/388318767.db2.gz VKLFGWHOEUOSHJ-QMMMGPOBSA-N 1 0 209.249 -0.209 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1COC[C@H]1OC ZINC000491763414 398065336 /nfs/dbraw/zinc/06/53/36/398065336.db2.gz AMAATQGQQZHRMY-VHSXEESVSA-N 1 0 226.276 -0.871 20 30 BBEDRO C#CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000491763668 259510331 /nfs/dbraw/zinc/51/03/31/259510331.db2.gz ARUFBYLZUPSMKV-UHFFFAOYSA-N 1 0 232.287 -0.289 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CC=C ZINC000491766367 398066220 /nfs/dbraw/zinc/06/62/20/398066220.db2.gz GLSOLZNIARIZHK-JTQLQIEISA-N 1 0 210.277 -0.348 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CC=C ZINC000491766368 526986416 /nfs/dbraw/zinc/98/64/16/526986416.db2.gz GLSOLZNIARIZHK-SNVBAGLBSA-N 1 0 210.277 -0.348 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@]1(C)CO ZINC000491766525 398066060 /nfs/dbraw/zinc/06/60/60/398066060.db2.gz DUUFANGQTJTVHO-GFCCVEGCSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@]1(C)CO ZINC000491766526 398065845 /nfs/dbraw/zinc/06/58/45/398065845.db2.gz DUUFANGQTJTVHO-LBPRGKRZSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000491769021 526988845 /nfs/dbraw/zinc/98/88/45/526988845.db2.gz MERVUEAVUWFMDC-MNOVXSKESA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCN(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491770783 384624838 /nfs/dbraw/zinc/62/48/38/384624838.db2.gz NAYLOAXFKJTEGS-LLVKDONJSA-N 1 0 214.309 -0.510 20 30 BBEDRO C#CCN(C)C[C@H](O)C[N@@H+](C)CCOC ZINC000491770794 384627033 /nfs/dbraw/zinc/62/70/33/384627033.db2.gz NAYLOAXFKJTEGS-NSHDSACASA-N 1 0 214.309 -0.510 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CCO)CC1CC1 ZINC000491772515 388319270 /nfs/dbraw/zinc/31/92/70/388319270.db2.gz AWWXYCPDXQSXRX-UHFFFAOYSA-N 1 0 224.304 -0.170 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)C(=C)C[NH+](C)C ZINC000491773374 527295818 /nfs/dbraw/zinc/29/58/18/527295818.db2.gz AZVVLPUUNTYHJQ-LLVKDONJSA-N 1 0 222.288 -0.035 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)C(=C)C[NH+](C)C ZINC000491773377 527414092 /nfs/dbraw/zinc/41/40/92/527414092.db2.gz AZVVLPUUNTYHJQ-NSHDSACASA-N 1 0 222.288 -0.035 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)C[C@@H](C)O ZINC000491773398 526987719 /nfs/dbraw/zinc/98/77/19/526987719.db2.gz BBUDICBWFJPXLY-NXEZZACHSA-N 1 0 212.293 -0.125 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C[C@H](C)O ZINC000491773400 526984788 /nfs/dbraw/zinc/98/47/88/526984788.db2.gz BBUDICBWFJPXLY-UWVGGRQHSA-N 1 0 212.293 -0.125 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C[C@@H](C)O ZINC000491773402 526985477 /nfs/dbraw/zinc/98/54/77/526985477.db2.gz BBUDICBWFJPXLY-VHSXEESVSA-N 1 0 212.293 -0.125 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)C[C@H](C)O ZINC000491773405 526987960 /nfs/dbraw/zinc/98/79/60/526987960.db2.gz BBUDICBWFJPXLY-ZJUUUORDSA-N 1 0 212.293 -0.125 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000491774361 384644501 /nfs/dbraw/zinc/64/45/01/384644501.db2.gz CQYRQAZJXMYBAF-IVZWLZJFSA-N 1 0 226.276 -0.872 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000491774375 384646625 /nfs/dbraw/zinc/64/66/25/384646625.db2.gz CQYRQAZJXMYBAF-OPRDCNLKSA-N 1 0 226.276 -0.872 20 30 BBEDRO C#C[C@H](C)[N@@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000491774765 388319724 /nfs/dbraw/zinc/31/97/24/388319724.db2.gz XOXZTGRVMWGDSR-JTQLQIEISA-N 1 0 240.303 -0.039 20 30 BBEDRO C#C[C@@H](C)[N@@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000491774766 388319668 /nfs/dbraw/zinc/31/96/68/388319668.db2.gz XOXZTGRVMWGDSR-SNVBAGLBSA-N 1 0 240.303 -0.039 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000491776943 526984357 /nfs/dbraw/zinc/98/43/57/526984357.db2.gz GPWWIGCIVTWHKI-MNOVXSKESA-N 1 0 240.303 -0.745 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C ZINC000491776993 388319889 /nfs/dbraw/zinc/31/98/89/388319889.db2.gz GVTJMQKDIDGVHT-NXEZZACHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000491776995 388319999 /nfs/dbraw/zinc/31/99/99/388319999.db2.gz GVTJMQKDIDGVHT-UWVGGRQHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000491776996 388319755 /nfs/dbraw/zinc/31/97/55/388319755.db2.gz GVTJMQKDIDGVHT-VHSXEESVSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000491776997 384667378 /nfs/dbraw/zinc/66/73/78/384667378.db2.gz GVTJMQKDIDGVHT-ZJUUUORDSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCn1cnnc1CC ZINC000491779287 324160997 /nfs/dbraw/zinc/16/09/97/324160997.db2.gz ITPJRPAQZBKWHB-UHFFFAOYSA-N 1 0 249.318 -0.430 20 30 BBEDRO C#C[C@@H]([NH2+]CCC(=O)NC(N)=O)C(C)C ZINC000491781889 388320740 /nfs/dbraw/zinc/32/07/40/388320740.db2.gz MCWGZMFBEWWXBY-MRVPVSSYSA-N 1 0 211.265 -0.181 20 30 BBEDRO C#C[C@H]([NH2+]CCC(=O)NC(N)=O)C(C)C ZINC000491781891 541370060 /nfs/dbraw/zinc/37/00/60/541370060.db2.gz MCWGZMFBEWWXBY-QMMMGPOBSA-N 1 0 211.265 -0.181 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@](C)(O)COC ZINC000491783383 388320637 /nfs/dbraw/zinc/32/06/37/388320637.db2.gz JNQSAPNDSIBJDA-GFCCVEGCSA-N 1 0 242.319 -0.545 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@](C)(O)COC ZINC000491783393 388320574 /nfs/dbraw/zinc/32/05/74/388320574.db2.gz JNQSAPNDSIBJDA-LBPRGKRZSA-N 1 0 242.319 -0.545 20 30 BBEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000491783453 388320798 /nfs/dbraw/zinc/32/07/98/388320798.db2.gz PHYFRIWHAHEKCZ-SECBINFHSA-N 1 0 235.287 -0.463 20 30 BBEDRO C#C[C@H](C)[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000491783458 527333180 /nfs/dbraw/zinc/33/31/80/527333180.db2.gz PHYFRIWHAHEKCZ-VIFPVBQESA-N 1 0 235.287 -0.463 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)C=NOC ZINC000491783755 388320977 /nfs/dbraw/zinc/32/09/77/388320977.db2.gz RTJYNNDSQVYAJG-UHFFFAOYSA-N 1 0 211.265 -0.310 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCN(C)C1CC1 ZINC000491786299 490118564 /nfs/dbraw/zinc/11/85/64/490118564.db2.gz WEAJJNQEXKJKJY-UHFFFAOYSA-N 1 0 223.320 -0.190 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCNC(=O)C(C)C ZINC000491786978 490117899 /nfs/dbraw/zinc/11/78/99/490117899.db2.gz VBJKPTSBBSMDOJ-UHFFFAOYSA-N 1 0 239.319 -0.512 20 30 BBEDRO C#CC[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000491787953 398068952 /nfs/dbraw/zinc/06/89/52/398068952.db2.gz RLZVCHIAAADZTM-CYBMUJFWSA-N 1 0 238.331 -0.223 20 30 BBEDRO C#CC[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000491787963 398068754 /nfs/dbraw/zinc/06/87/54/398068754.db2.gz RLZVCHIAAADZTM-ZDUSSCGKSA-N 1 0 238.331 -0.223 20 30 BBEDRO C#CCN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000491791733 388321284 /nfs/dbraw/zinc/32/12/84/388321284.db2.gz BDVRMQZJDVNUHF-JTQLQIEISA-N 1 0 210.277 -0.344 20 30 BBEDRO C#CCN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000491791734 388321293 /nfs/dbraw/zinc/32/12/93/388321293.db2.gz BDVRMQZJDVNUHF-SNVBAGLBSA-N 1 0 210.277 -0.344 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C1CN(C(=O)OC)C1 ZINC000491795838 384752775 /nfs/dbraw/zinc/75/27/75/384752775.db2.gz XOWSMVYSUNSRBK-UHFFFAOYSA-N 1 0 239.275 -0.834 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCCC(=O)N(C)C ZINC000491801017 398073926 /nfs/dbraw/zinc/07/39/26/398073926.db2.gz AYEGDBRPHZLWQN-UHFFFAOYSA-N 1 0 239.319 -0.416 20 30 BBEDRO C#C[C@@H](C)N(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491801895 388321684 /nfs/dbraw/zinc/32/16/84/388321684.db2.gz DYAJXLZUIYZGAA-NEPJUHHUSA-N 1 0 228.336 -0.121 20 30 BBEDRO C#C[C@H](C)N(C)C[C@H](O)C[N@@H+](C)CCOC ZINC000491801897 388321471 /nfs/dbraw/zinc/32/14/71/388321471.db2.gz DYAJXLZUIYZGAA-NWDGAFQWSA-N 1 0 228.336 -0.121 20 30 BBEDRO C#C[C@H](C)N(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491801899 388321592 /nfs/dbraw/zinc/32/15/92/388321592.db2.gz DYAJXLZUIYZGAA-RYUDHWBXSA-N 1 0 228.336 -0.121 20 30 BBEDRO C#C[C@@H](C)N(C)C[C@H](O)C[N@@H+](C)CCOC ZINC000491801901 388321658 /nfs/dbraw/zinc/32/16/58/388321658.db2.gz DYAJXLZUIYZGAA-VXGBXAGGSA-N 1 0 228.336 -0.121 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCc1cn(C)cn1 ZINC000491803415 526983047 /nfs/dbraw/zinc/98/30/47/526983047.db2.gz JDXQSSHRXJRQHH-UHFFFAOYSA-N 1 0 234.303 -0.308 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000491804561 388321871 /nfs/dbraw/zinc/32/18/71/388321871.db2.gz LUGBVRYRGNOKSH-GHMZBOCLSA-N 1 0 222.288 -0.201 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000491804562 388321830 /nfs/dbraw/zinc/32/18/30/388321830.db2.gz LUGBVRYRGNOKSH-MNOVXSKESA-N 1 0 222.288 -0.201 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000491804563 388321443 /nfs/dbraw/zinc/32/14/43/388321443.db2.gz LUGBVRYRGNOKSH-QWRGUYRKSA-N 1 0 222.288 -0.201 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000491804564 388321450 /nfs/dbraw/zinc/32/14/50/388321450.db2.gz LUGBVRYRGNOKSH-WDEREUQCSA-N 1 0 222.288 -0.201 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000491804855 388321842 /nfs/dbraw/zinc/32/18/42/388321842.db2.gz MVHFGHWASDVOFD-NXEZZACHSA-N 1 0 201.266 -0.644 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000491804856 388321845 /nfs/dbraw/zinc/32/18/45/388321845.db2.gz MVHFGHWASDVOFD-UWVGGRQHSA-N 1 0 201.266 -0.644 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000491804857 388321848 /nfs/dbraw/zinc/32/18/48/388321848.db2.gz MVHFGHWASDVOFD-VHSXEESVSA-N 1 0 201.266 -0.644 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000491804858 388321811 /nfs/dbraw/zinc/32/18/11/388321811.db2.gz MVHFGHWASDVOFD-ZJUUUORDSA-N 1 0 201.266 -0.644 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](CCO)CC1CC1 ZINC000491805311 388321797 /nfs/dbraw/zinc/32/17/97/388321797.db2.gz NWDVQDKRMQYCIT-JTQLQIEISA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](CCO)CC1CC1 ZINC000491805313 388321950 /nfs/dbraw/zinc/32/19/50/388321950.db2.gz NWDVQDKRMQYCIT-SNVBAGLBSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1cc(C)nn1C ZINC000491806195 388322150 /nfs/dbraw/zinc/32/21/50/388322150.db2.gz QBZZFXWXGKAUPM-UHFFFAOYSA-N 1 0 234.303 -0.042 20 30 BBEDRO C#CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000491806238 388322193 /nfs/dbraw/zinc/32/21/93/388322193.db2.gz QURROXUUJXNRPN-SSDOTTSWSA-N 1 0 217.219 -0.084 20 30 BBEDRO C#CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000491806241 527016268 /nfs/dbraw/zinc/01/62/68/527016268.db2.gz QURROXUUJXNRPN-ZETCQYMHSA-N 1 0 217.219 -0.084 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@]1(OC)CCOC1 ZINC000491806562 384777193 /nfs/dbraw/zinc/77/71/93/384777193.db2.gz QTBUQGRMJIKZPY-GFCCVEGCSA-N 1 0 240.303 -0.479 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@]1(OC)CCOC1 ZINC000491806578 384778292 /nfs/dbraw/zinc/77/82/92/384778292.db2.gz QTBUQGRMJIKZPY-LBPRGKRZSA-N 1 0 240.303 -0.479 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000491807597 388322269 /nfs/dbraw/zinc/32/22/69/388322269.db2.gz UFGGVWUOYSHJPH-GXSJLCMTSA-N 1 0 224.235 -0.162 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000491807628 527377205 /nfs/dbraw/zinc/37/72/05/527377205.db2.gz UFGGVWUOYSHJPH-KOLCDFICSA-N 1 0 224.235 -0.162 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000491807630 388322066 /nfs/dbraw/zinc/32/20/66/388322066.db2.gz UFGGVWUOYSHJPH-MWLCHTKSSA-N 1 0 224.235 -0.162 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000491807631 388322277 /nfs/dbraw/zinc/32/22/77/388322277.db2.gz UFGGVWUOYSHJPH-ONGXEEELSA-N 1 0 224.235 -0.162 20 30 BBEDRO C#C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000491807947 388322302 /nfs/dbraw/zinc/32/23/02/388322302.db2.gz UXTOMODRVBEBQZ-NEPJUHHUSA-N 1 0 235.331 -0.144 20 30 BBEDRO C#C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000491807950 388322354 /nfs/dbraw/zinc/32/23/54/388322354.db2.gz UXTOMODRVBEBQZ-NWDGAFQWSA-N 1 0 235.331 -0.144 20 30 BBEDRO C#C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000491807952 388322502 /nfs/dbraw/zinc/32/25/02/388322502.db2.gz UXTOMODRVBEBQZ-RYUDHWBXSA-N 1 0 235.331 -0.144 20 30 BBEDRO C#C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000491807953 388322340 /nfs/dbraw/zinc/32/23/40/388322340.db2.gz UXTOMODRVBEBQZ-VXGBXAGGSA-N 1 0 235.331 -0.144 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000491808471 527300395 /nfs/dbraw/zinc/30/03/95/527300395.db2.gz WBYFKLJTQCIPDS-GHMZBOCLSA-N 1 0 237.303 -0.233 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000491808472 527300075 /nfs/dbraw/zinc/30/00/75/527300075.db2.gz WBYFKLJTQCIPDS-MNOVXSKESA-N 1 0 237.303 -0.233 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000491808473 388322436 /nfs/dbraw/zinc/32/24/36/388322436.db2.gz WBYFKLJTQCIPDS-QWRGUYRKSA-N 1 0 237.303 -0.233 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000491808474 527419177 /nfs/dbraw/zinc/41/91/77/527419177.db2.gz WBYFKLJTQCIPDS-WDEREUQCSA-N 1 0 237.303 -0.233 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCn1ccnc1C ZINC000491810929 259379701 /nfs/dbraw/zinc/37/97/01/259379701.db2.gz AQIUPCDIXVHPLJ-UHFFFAOYSA-N 1 0 234.303 -0.079 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCOCCOC ZINC000491811031 388322722 /nfs/dbraw/zinc/32/27/22/388322722.db2.gz AXDAHLWGBZEXDO-LLVKDONJSA-N 1 0 242.319 -0.281 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCOCCOC ZINC000491811032 388322713 /nfs/dbraw/zinc/32/27/13/388322713.db2.gz AXDAHLWGBZEXDO-NSHDSACASA-N 1 0 242.319 -0.281 20 30 BBEDRO C#CCN(CC)C[C@H](O)C[N@H+](C)CCOC ZINC000491812452 398072203 /nfs/dbraw/zinc/07/22/03/398072203.db2.gz HOJYNHBFVLZMRY-GFCCVEGCSA-N 1 0 228.336 -0.119 20 30 BBEDRO C#CCN(CC)C[C@@H](O)C[N@H+](C)CCOC ZINC000491812453 398073033 /nfs/dbraw/zinc/07/30/33/398073033.db2.gz HOJYNHBFVLZMRY-LBPRGKRZSA-N 1 0 228.336 -0.119 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1ccncn1 ZINC000491812704 388323040 /nfs/dbraw/zinc/32/30/40/388323040.db2.gz FXHOAHBOYJVPEU-UHFFFAOYSA-N 1 0 218.260 -0.294 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1ccnc(OC)n1 ZINC000491815040 388323356 /nfs/dbraw/zinc/32/33/56/388323356.db2.gz TWEUIIVWVMAQJR-UHFFFAOYSA-N 1 0 248.286 -0.286 20 30 BBEDRO C#CCNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000491817793 388323412 /nfs/dbraw/zinc/32/34/12/388323412.db2.gz JMKMKURLBJTCLN-ZJUUUORDSA-N 1 0 207.277 -0.035 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)NC2(CO)CC2)CC1 ZINC000491820211 388323931 /nfs/dbraw/zinc/32/39/31/388323931.db2.gz QKNSJJWLIDDUNR-UHFFFAOYSA-N 1 0 236.315 -0.027 20 30 BBEDRO C#CC[N@@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000491820738 388323743 /nfs/dbraw/zinc/32/37/43/388323743.db2.gz SKWVRPNHPLRVOS-UHFFFAOYSA-N 1 0 226.276 -0.427 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000491821557 388324077 /nfs/dbraw/zinc/32/40/77/388324077.db2.gz WVIWRQITQVPBIG-GHMZBOCLSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000491821558 527419859 /nfs/dbraw/zinc/41/98/59/527419859.db2.gz WVIWRQITQVPBIG-MNOVXSKESA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491821559 388324117 /nfs/dbraw/zinc/32/41/17/388324117.db2.gz WVIWRQITQVPBIG-QWRGUYRKSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491821560 388324173 /nfs/dbraw/zinc/32/41/73/388324173.db2.gz WVIWRQITQVPBIG-WDEREUQCSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CCC)CC(N)=O ZINC000491822128 388324121 /nfs/dbraw/zinc/32/41/21/388324121.db2.gz ZUZFZURZCDEQDN-UHFFFAOYSA-N 1 0 225.292 -0.677 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N1CCO[C@H](C#N)C1 ZINC000491872174 388325674 /nfs/dbraw/zinc/32/56/74/388325674.db2.gz RGYXBZIRKNEIHY-UMBAGQNISA-N 1 0 223.276 -0.145 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N1CCO[C@@H](C#N)C1 ZINC000491872175 388325390 /nfs/dbraw/zinc/32/53/90/388325390.db2.gz RGYXBZIRKNEIHY-XOULXFPDSA-N 1 0 223.276 -0.145 20 30 BBEDRO COC(=O)CN(CC#N)C(=O)/C=C\C[NH+](C)C ZINC000491880220 388325833 /nfs/dbraw/zinc/32/58/33/388325833.db2.gz CIQMRXITYXQCAB-PLNGDYQASA-N 1 0 239.275 -0.371 20 30 BBEDRO COC(=O)CN(CC#N)C(=O)/C=C/C[NH+](C)C ZINC000491880221 388325976 /nfs/dbraw/zinc/32/59/76/388325976.db2.gz CIQMRXITYXQCAB-SNAWJCMRSA-N 1 0 239.275 -0.371 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N(CC#N)CC#N ZINC000491907155 388327065 /nfs/dbraw/zinc/32/70/65/388327065.db2.gz RLMPEONXHQHFPJ-ARJAWSKDSA-N 1 0 206.249 -0.020 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N(CC#N)CC#N ZINC000491907156 388327118 /nfs/dbraw/zinc/32/71/18/388327118.db2.gz RLMPEONXHQHFPJ-ONEGZZNKSA-N 1 0 206.249 -0.020 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N1CCN(CC#N)CC1 ZINC000491946721 324162497 /nfs/dbraw/zinc/16/24/97/324162497.db2.gz CDCHQNHLTOLSJK-ARJAWSKDSA-N 1 0 236.319 -0.228 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N1CC(O)(CC#N)C1 ZINC000492023786 388332079 /nfs/dbraw/zinc/33/20/79/388332079.db2.gz ZYXWTGGLZUYALP-ARJAWSKDSA-N 1 0 223.276 -0.409 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N1CC(O)(CC#N)C1 ZINC000492023791 388331983 /nfs/dbraw/zinc/33/19/83/388331983.db2.gz ZYXWTGGLZUYALP-ONEGZZNKSA-N 1 0 223.276 -0.409 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N1CCOC[C@H]1C#N ZINC000492105660 388335197 /nfs/dbraw/zinc/33/51/97/388335197.db2.gz DBSWXAHQGWYBSQ-UMBAGQNISA-N 1 0 223.276 -0.145 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N1CCOC[C@@H]1C#N ZINC000492105661 388335220 /nfs/dbraw/zinc/33/52/20/388335220.db2.gz DBSWXAHQGWYBSQ-XOULXFPDSA-N 1 0 223.276 -0.145 20 30 BBEDRO C#CC[C@H](NC(=O)/C=C/C[NH+](C)C)C(N)=O ZINC000492269750 388340000 /nfs/dbraw/zinc/34/00/00/388340000.db2.gz PEXTVUVIKKTALH-IWGCBNPKSA-N 1 0 223.276 -0.902 20 30 BBEDRO C#CC[C@H](NC(=O)/C=C\C[NH+](C)C)C(N)=O ZINC000492269751 388340008 /nfs/dbraw/zinc/34/00/08/388340008.db2.gz PEXTVUVIKKTALH-PGBBXKAQSA-N 1 0 223.276 -0.902 20 30 BBEDRO C#CC[C@@H](NC(=O)/C=C/C[NH+](C)C)C(N)=O ZINC000492269752 388339927 /nfs/dbraw/zinc/33/99/27/388339927.db2.gz PEXTVUVIKKTALH-VPIOIWJLSA-N 1 0 223.276 -0.902 20 30 BBEDRO C#CC[C@@H](NC(=O)/C=C\C[NH+](C)C)C(N)=O ZINC000492269753 388340002 /nfs/dbraw/zinc/34/00/02/388340002.db2.gz PEXTVUVIKKTALH-WILPJHFFSA-N 1 0 223.276 -0.902 20 30 BBEDRO C=CCNC(=O)CNC(=O)/C=C\C[NH+](C)C ZINC000492347695 388342491 /nfs/dbraw/zinc/34/24/91/388342491.db2.gz KFXMPDQUTIVORY-WAYWQWQTSA-N 1 0 225.292 -0.477 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N[C@]1(C#N)CCOC1 ZINC000492640682 226031096 /nfs/dbraw/zinc/03/10/96/226031096.db2.gz BHXGAYQUAPYVAT-BYCRGOAPSA-N 1 0 223.276 -0.097 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N[C@@]1(C#N)CCOC1 ZINC000492640683 226031844 /nfs/dbraw/zinc/03/18/44/226031844.db2.gz BHXGAYQUAPYVAT-DLRQAJBASA-N 1 0 223.276 -0.097 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N[C@@]1(C#N)CCOC1 ZINC000492640684 226031133 /nfs/dbraw/zinc/03/11/33/226031133.db2.gz BHXGAYQUAPYVAT-PGLGOXFNSA-N 1 0 223.276 -0.097 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N[C@]1(C#N)CCOC1 ZINC000492640685 226031894 /nfs/dbraw/zinc/03/18/94/226031894.db2.gz BHXGAYQUAPYVAT-UFFNRZRYSA-N 1 0 223.276 -0.097 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)/C=C\C[NH+](C)C ZINC000492649565 526752490 /nfs/dbraw/zinc/75/24/90/526752490.db2.gz RGAXXADUCBYCAR-BPOWMSRESA-N 1 0 224.304 -0.005 20 30 BBEDRO C#CCC[C@H](O)CNC(=O)/C=C/C[NH+](C)C ZINC000492649567 526753508 /nfs/dbraw/zinc/75/35/08/526753508.db2.gz RGAXXADUCBYCAR-IOCXFXADSA-N 1 0 224.304 -0.005 20 30 BBEDRO C#CCC[C@H](O)CNC(=O)/C=C\C[NH+](C)C ZINC000492649569 526752998 /nfs/dbraw/zinc/75/29/98/526752998.db2.gz RGAXXADUCBYCAR-JYKYSHPRSA-N 1 0 224.304 -0.005 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)/C=C/C[NH+](C)C ZINC000492649570 526752063 /nfs/dbraw/zinc/75/20/63/526752063.db2.gz RGAXXADUCBYCAR-LXSSAFMLSA-N 1 0 224.304 -0.005 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N[C@H]1CCCN(O)C1=O ZINC000493004919 226102613 /nfs/dbraw/zinc/10/26/13/226102613.db2.gz LMZMAVXETPAAFC-DNQSNQRASA-N 1 0 241.291 -0.399 20 30 BBEDRO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCCN(O)C1=O ZINC000493004920 226102359 /nfs/dbraw/zinc/10/23/59/226102359.db2.gz LMZMAVXETPAAFC-OTQAPUNGSA-N 1 0 241.291 -0.399 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N[C@H]1CCCN(O)C1=O ZINC000493004921 226102517 /nfs/dbraw/zinc/10/25/17/226102517.db2.gz LMZMAVXETPAAFC-RNEXMXFGSA-N 1 0 241.291 -0.399 20 30 BBEDRO C[NH+](C)C/C=C\C(=O)N[C@@H]1CCCN(O)C1=O ZINC000493004922 226101893 /nfs/dbraw/zinc/10/18/93/226101893.db2.gz LMZMAVXETPAAFC-XTULLQBASA-N 1 0 241.291 -0.399 20 30 BBEDRO CN(C)CC[N@H+](C)CCCNC(=O)CC#N ZINC000494843361 226270329 /nfs/dbraw/zinc/27/03/29/226270329.db2.gz AESYFUYGNNAIDJ-UHFFFAOYSA-N 1 0 226.324 -0.100 20 30 BBEDRO CC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC000495204943 529440762 /nfs/dbraw/zinc/44/07/62/529440762.db2.gz SMNMMZYEVSYWSR-JTQLQIEISA-N 1 0 211.265 -0.527 20 30 BBEDRO CC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC000495204944 529572476 /nfs/dbraw/zinc/57/24/76/529572476.db2.gz SMNMMZYEVSYWSR-SNVBAGLBSA-N 1 0 211.265 -0.527 20 30 BBEDRO CN1CC[NH+]=C1NCCCN1CCOC1=O ZINC000496176714 529778720 /nfs/dbraw/zinc/77/87/20/529778720.db2.gz FBWCLPGLYKIWMG-UHFFFAOYSA-N 1 0 226.280 -0.280 20 30 BBEDRO COC(=O)NCC[NH+]=C(N(C)C)N(C)C ZINC000496180342 534109526 /nfs/dbraw/zinc/10/95/26/534109526.db2.gz VJTHCGZPBNKJOA-UHFFFAOYSA-N 1 0 216.285 -0.178 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCCN2CCOC2=O)N1 ZINC000496366281 226303293 /nfs/dbraw/zinc/30/32/93/226303293.db2.gz XNTBHTXHCBNVGX-MRVPVSSYSA-N 1 0 226.280 -0.234 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCCN2CCOC2=O)N1 ZINC000496366310 533989906 /nfs/dbraw/zinc/98/99/06/533989906.db2.gz XNTBHTXHCBNVGX-QMMMGPOBSA-N 1 0 226.280 -0.234 20 30 BBEDRO C[NH+]=C(NCCNC(=O)OC)NC1CC1 ZINC000496776431 526359056 /nfs/dbraw/zinc/35/90/56/526359056.db2.gz JMQFYMDZSHYMRG-UHFFFAOYSA-N 1 0 214.269 -0.330 20 30 BBEDRO CNC(NCCCN1CCOC1=O)=[NH+]C ZINC000496924069 526344420 /nfs/dbraw/zinc/34/44/20/526344420.db2.gz VQRPZQPZHVQVHS-UHFFFAOYSA-N 1 0 214.269 -0.377 20 30 BBEDRO C=CCNC(=[NH2+])NCCNC(=O)OC ZINC000497270698 526520769 /nfs/dbraw/zinc/52/07/69/526520769.db2.gz HNXIZNSZOYDIEN-UHFFFAOYSA-N 1 0 200.242 -0.358 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000507308559 529869556 /nfs/dbraw/zinc/86/95/56/529869556.db2.gz DPLPJJJTDCTKTO-SECBINFHSA-N 1 0 246.336 -0.630 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](C)C1 ZINC000507308560 529869977 /nfs/dbraw/zinc/86/99/77/529869977.db2.gz DPLPJJJTDCTKTO-VIFPVBQESA-N 1 0 246.336 -0.630 20 30 BBEDRO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC000510135836 229294785 /nfs/dbraw/zinc/29/47/85/229294785.db2.gz UKLRRAIXGADRAV-DTORHVGOSA-N 1 0 211.265 -0.265 20 30 BBEDRO N#Cc1c[nH]nc1NC(=O)C[NH2+]C1CC1 ZINC000514601240 388643010 /nfs/dbraw/zinc/64/30/10/388643010.db2.gz GBISOHVINSDKAY-UHFFFAOYSA-N 1 0 205.221 -0.028 20 30 BBEDRO CC(C)OC[C@@H](O)C[NH2+]CC#CCO ZINC000514602294 387009421 /nfs/dbraw/zinc/00/94/21/387009421.db2.gz BUQYYMISAPEKOL-JTQLQIEISA-N 1 0 201.266 -0.642 20 30 BBEDRO CC(C)OC[C@H](O)C[NH2+]CC#CCO ZINC000514602300 256681474 /nfs/dbraw/zinc/68/14/74/256681474.db2.gz BUQYYMISAPEKOL-SNVBAGLBSA-N 1 0 201.266 -0.642 20 30 BBEDRO N#CC1(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)CC1 ZINC000514670703 256686032 /nfs/dbraw/zinc/68/60/32/256686032.db2.gz HWCRSHNXCBODPG-GFCCVEGCSA-N 1 0 248.286 -0.036 20 30 BBEDRO N#CC1(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)CC1 ZINC000514670713 387914851 /nfs/dbraw/zinc/91/48/51/387914851.db2.gz HWCRSHNXCBODPG-LBPRGKRZSA-N 1 0 248.286 -0.036 20 30 BBEDRO C=CCC[C@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000514673228 256686360 /nfs/dbraw/zinc/68/63/60/256686360.db2.gz GQASYVKPRQFBGB-MRVPVSSYSA-N 1 0 229.280 -0.512 20 30 BBEDRO C=CCC[C@@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000514673229 387922540 /nfs/dbraw/zinc/92/25/40/387922540.db2.gz GQASYVKPRQFBGB-QMMMGPOBSA-N 1 0 229.280 -0.512 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCCO1 ZINC000514788319 387286696 /nfs/dbraw/zinc/28/66/96/387286696.db2.gz IKYZNZYGMKRUQB-NEPJUHHUSA-N 1 0 241.335 -0.039 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCCO1 ZINC000514788324 387285716 /nfs/dbraw/zinc/28/57/16/387285716.db2.gz IKYZNZYGMKRUQB-NWDGAFQWSA-N 1 0 241.335 -0.039 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCO1 ZINC000514788326 387286551 /nfs/dbraw/zinc/28/65/51/387286551.db2.gz IKYZNZYGMKRUQB-RYUDHWBXSA-N 1 0 241.335 -0.039 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCCO1 ZINC000514788328 387286416 /nfs/dbraw/zinc/28/64/16/387286416.db2.gz IKYZNZYGMKRUQB-VXGBXAGGSA-N 1 0 241.335 -0.039 20 30 BBEDRO C=CCCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514799521 256721188 /nfs/dbraw/zinc/72/11/88/256721188.db2.gz RTSGAEYEEFPFPN-NXEZZACHSA-N 1 0 237.303 -0.277 20 30 BBEDRO C=CCCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514799522 387293980 /nfs/dbraw/zinc/29/39/80/387293980.db2.gz RTSGAEYEEFPFPN-UWVGGRQHSA-N 1 0 237.303 -0.277 20 30 BBEDRO C=CCCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514799523 387294931 /nfs/dbraw/zinc/29/49/31/387294931.db2.gz RTSGAEYEEFPFPN-VHSXEESVSA-N 1 0 237.303 -0.277 20 30 BBEDRO C=CCCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514799524 387295718 /nfs/dbraw/zinc/29/57/18/387295718.db2.gz RTSGAEYEEFPFPN-ZJUUUORDSA-N 1 0 237.303 -0.277 20 30 BBEDRO CC[C@H](CC#N)[NH2+]CCC(=O)NCC(=O)OC ZINC000514871436 387306146 /nfs/dbraw/zinc/30/61/46/387306146.db2.gz VNWFOXPYTXVLKA-SECBINFHSA-N 1 0 241.291 -0.052 20 30 BBEDRO CC[C@@H](CC#N)[NH2+]CCC(=O)NCC(=O)OC ZINC000514871439 387305451 /nfs/dbraw/zinc/30/54/51/387305451.db2.gz VNWFOXPYTXVLKA-VIFPVBQESA-N 1 0 241.291 -0.052 20 30 BBEDRO C[N@H+](CC(=O)NCC#CCO)[C@H]1CCSC1 ZINC000514873121 387302526 /nfs/dbraw/zinc/30/25/26/387302526.db2.gz XKENUFMVMBTOFI-JTQLQIEISA-N 1 0 242.344 -0.464 20 30 BBEDRO C[N@H+](CC(=O)NCC#CCO)[C@@H]1CCSC1 ZINC000514873122 387301880 /nfs/dbraw/zinc/30/18/80/387301880.db2.gz XKENUFMVMBTOFI-SNVBAGLBSA-N 1 0 242.344 -0.464 20 30 BBEDRO C=CCOCCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000515177951 387343887 /nfs/dbraw/zinc/34/38/87/387343887.db2.gz AZIQBGJECOQDSI-LLVKDONJSA-N 1 0 228.292 -0.187 20 30 BBEDRO C=CCOCCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000515177952 387343558 /nfs/dbraw/zinc/34/35/58/387343558.db2.gz AZIQBGJECOQDSI-NSHDSACASA-N 1 0 228.292 -0.187 20 30 BBEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cn1cnc(C#N)n1 ZINC000515307148 256740644 /nfs/dbraw/zinc/74/06/44/256740644.db2.gz BAXBRPFTSABDST-IUCAKERBSA-N 1 0 248.290 -0.594 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC[C@@H](C#N)CCC#N ZINC000515845444 387432855 /nfs/dbraw/zinc/43/28/55/387432855.db2.gz GLPITAHUXYTZJI-GHMZBOCLSA-N 1 0 224.308 -0.058 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC[C@@H](C#N)CCC#N ZINC000515845445 387432837 /nfs/dbraw/zinc/43/28/37/387432837.db2.gz GLPITAHUXYTZJI-MNOVXSKESA-N 1 0 224.308 -0.058 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC[C@H](C#N)CCC#N ZINC000515845446 387433557 /nfs/dbraw/zinc/43/35/57/387433557.db2.gz GLPITAHUXYTZJI-QWRGUYRKSA-N 1 0 224.308 -0.058 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC[C@H](C#N)CCC#N ZINC000515845447 387433925 /nfs/dbraw/zinc/43/39/25/387433925.db2.gz GLPITAHUXYTZJI-WDEREUQCSA-N 1 0 224.308 -0.058 20 30 BBEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CC(O)(CC#N)C1 ZINC000515870228 256759297 /nfs/dbraw/zinc/75/92/97/256759297.db2.gz UMWYSLDHQKUNPG-LLVKDONJSA-N 1 0 241.335 -0.352 20 30 BBEDRO CC(C)[N@H+](C)C[C@H](O)CN1CC(O)(CC#N)C1 ZINC000515870231 387439422 /nfs/dbraw/zinc/43/94/22/387439422.db2.gz UMWYSLDHQKUNPG-NSHDSACASA-N 1 0 241.335 -0.352 20 30 BBEDRO CC#CCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000516291675 256773444 /nfs/dbraw/zinc/77/34/44/256773444.db2.gz YRIZGGWKZOBTOX-NXEZZACHSA-N 1 0 239.319 -0.242 20 30 BBEDRO CC#CCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000516291679 387497659 /nfs/dbraw/zinc/49/76/59/387497659.db2.gz YRIZGGWKZOBTOX-UWVGGRQHSA-N 1 0 239.319 -0.242 20 30 BBEDRO CC#CCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000516291680 256773635 /nfs/dbraw/zinc/77/36/35/256773635.db2.gz YRIZGGWKZOBTOX-VHSXEESVSA-N 1 0 239.319 -0.242 20 30 BBEDRO CC#CCCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000516291681 387498041 /nfs/dbraw/zinc/49/80/41/387498041.db2.gz YRIZGGWKZOBTOX-ZJUUUORDSA-N 1 0 239.319 -0.242 20 30 BBEDRO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000516491859 387514834 /nfs/dbraw/zinc/51/48/34/387514834.db2.gz BHFBRPVJQJPWKE-UWVGGRQHSA-N 1 0 227.308 -0.168 20 30 BBEDRO C=CC[C@@H](CO)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000516491860 387514720 /nfs/dbraw/zinc/51/47/20/387514720.db2.gz BHFBRPVJQJPWKE-ZJUUUORDSA-N 1 0 227.308 -0.168 20 30 BBEDRO C=C(CC)CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516492842 387515779 /nfs/dbraw/zinc/51/57/79/387515779.db2.gz XTKXJPDTEDYRTD-VIFPVBQESA-N 1 0 225.292 -0.453 20 30 BBEDRO N#CC1(C[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000516762519 259368287 /nfs/dbraw/zinc/36/82/87/259368287.db2.gz CWMNWFZDSSGQPN-LLVKDONJSA-N 1 0 239.319 -0.427 20 30 BBEDRO N#CC1(C[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000516762520 259368270 /nfs/dbraw/zinc/36/82/70/259368270.db2.gz CWMNWFZDSSGQPN-NSHDSACASA-N 1 0 239.319 -0.427 20 30 BBEDRO C[NH+](C)CCn1ccc(C(=O)NCC#N)n1 ZINC000516782352 388517566 /nfs/dbraw/zinc/51/75/66/388517566.db2.gz OOROTPNZROSBFD-UHFFFAOYSA-N 1 0 221.264 -0.302 20 30 BBEDRO C[C@@H]1C[C@]1(C#N)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516936722 388525631 /nfs/dbraw/zinc/52/56/31/388525631.db2.gz MFXRPRNBTSAURH-FYLLDIAZSA-N 1 0 237.303 -0.331 20 30 BBEDRO C[C@H]1C[C@@]1(C#N)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516936723 256807039 /nfs/dbraw/zinc/80/70/39/256807039.db2.gz MFXRPRNBTSAURH-GMOBBJLQSA-N 1 0 237.303 -0.331 20 30 BBEDRO C[C@H]1C[C@]1(C#N)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516936724 388526313 /nfs/dbraw/zinc/52/63/13/388526313.db2.gz MFXRPRNBTSAURH-QFOLPQNPSA-N 1 0 237.303 -0.331 20 30 BBEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516936725 388526201 /nfs/dbraw/zinc/52/62/01/388526201.db2.gz MFXRPRNBTSAURH-WDCWCFNPSA-N 1 0 237.303 -0.331 20 30 BBEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCC#N ZINC000517567531 388554879 /nfs/dbraw/zinc/55/48/79/388554879.db2.gz KFJRCCRFTJIMPL-BDAKNGLRSA-N 1 0 240.307 -0.352 20 30 BBEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCC#N ZINC000517567532 388554920 /nfs/dbraw/zinc/55/49/20/388554920.db2.gz KFJRCCRFTJIMPL-DTWKUNHWSA-N 1 0 240.307 -0.352 20 30 BBEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCC#N ZINC000517567533 388554962 /nfs/dbraw/zinc/55/49/62/388554962.db2.gz KFJRCCRFTJIMPL-IUCAKERBSA-N 1 0 240.307 -0.352 20 30 BBEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCCC#N ZINC000517567534 388554844 /nfs/dbraw/zinc/55/48/44/388554844.db2.gz KFJRCCRFTJIMPL-RKDXNWHRSA-N 1 0 240.307 -0.352 20 30 BBEDRO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000518374931 385010657 /nfs/dbraw/zinc/01/06/57/385010657.db2.gz JOCGOWFFNYTWRN-GRYCIOLGSA-N 1 0 243.351 -0.201 20 30 BBEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@H](C)CO ZINC000518374932 385010519 /nfs/dbraw/zinc/01/05/19/385010519.db2.gz JOCGOWFFNYTWRN-IJLUTSLNSA-N 1 0 243.351 -0.201 20 30 BBEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@H](C)CO ZINC000518374933 385011869 /nfs/dbraw/zinc/01/18/69/385011869.db2.gz JOCGOWFFNYTWRN-UTUOFQBUSA-N 1 0 243.351 -0.201 20 30 BBEDRO C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000518374934 385009555 /nfs/dbraw/zinc/00/95/55/385009555.db2.gz JOCGOWFFNYTWRN-WOPDTQHZSA-N 1 0 243.351 -0.201 20 30 BBEDRO N#Cc1ncn(CC(=O)N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000518787617 385159358 /nfs/dbraw/zinc/15/93/58/385159358.db2.gz PINMLZNEJGMMCL-RKDXNWHRSA-N 1 0 248.290 -0.464 20 30 BBEDRO N#CC1(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000519518708 386473915 /nfs/dbraw/zinc/47/39/15/386473915.db2.gz LAEDCJCEGHRNKI-LLVKDONJSA-N 1 0 248.330 -0.204 20 30 BBEDRO N#CC1(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000519518709 386471911 /nfs/dbraw/zinc/47/19/11/386471911.db2.gz LAEDCJCEGHRNKI-NSHDSACASA-N 1 0 248.330 -0.204 20 30 BBEDRO C=CCCCCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000519562426 386489230 /nfs/dbraw/zinc/48/92/30/386489230.db2.gz USZXZUPZZGTHSS-UHFFFAOYSA-N 1 0 239.319 -0.063 20 30 BBEDRO CC[NH2+]CCCNS(=O)(=O)N(C)CCC#N ZINC000519646499 386523136 /nfs/dbraw/zinc/52/31/36/386523136.db2.gz BFFCAJNPOPPOBV-UHFFFAOYSA-N 1 0 248.352 -0.334 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCC(=O)NC(N)=O ZINC000519699215 386536521 /nfs/dbraw/zinc/53/65/21/386536521.db2.gz NFKJPYSDSOLUSM-SFYZADRCSA-N 1 0 227.264 -0.496 20 30 BBEDRO C[NH2+]CCNS(=O)(=O)c1ccc(C#N)o1 ZINC000519706271 388666809 /nfs/dbraw/zinc/66/68/09/388666809.db2.gz IXIOYURDLSQURQ-UHFFFAOYSA-N 1 0 229.261 -0.351 20 30 BBEDRO N#Cc1ccc(NC(=O)C[NH2+]C(CO)CO)cc1 ZINC000520248330 256668058 /nfs/dbraw/zinc/66/80/58/256668058.db2.gz ZHDFRAZXQIUFJX-UHFFFAOYSA-N 1 0 249.270 -0.560 20 30 BBEDRO N#CC1(CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000521070973 256835416 /nfs/dbraw/zinc/83/54/16/256835416.db2.gz XNAUQPNCTNMUSE-QMMMGPOBSA-N 1 0 208.265 -0.049 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)NC2C[NH2+]C2)o1 ZINC000521900799 398306880 /nfs/dbraw/zinc/30/68/80/398306880.db2.gz XUGYXBRTBTYMJU-UHFFFAOYSA-N 1 0 227.245 -0.599 20 30 BBEDRO N#CCSCCC[NH2+]C(CO)CO ZINC000522011907 259582358 /nfs/dbraw/zinc/58/23/58/259582358.db2.gz VVABTFKZLHJKTG-UHFFFAOYSA-N 1 0 204.295 -0.424 20 30 BBEDRO CC[NH+]1CCN(CC(=O)NC2(C#N)CC2)CC1 ZINC000525311794 259700842 /nfs/dbraw/zinc/70/08/42/259700842.db2.gz LPBXJRATFXJSEN-UHFFFAOYSA-N 1 0 236.319 -0.204 20 30 BBEDRO CN1CCO[C@@H](C(=O)NC2(C#N)CC2)C1 ZINC000525823855 386471190 /nfs/dbraw/zinc/47/11/90/386471190.db2.gz HWAKOPMXWPRWED-MRVPVSSYSA-N 1 0 209.249 -0.511 20 30 BBEDRO CN1CCO[C@H](C(=O)NC2(C#N)CC2)C1 ZINC000525823856 386469921 /nfs/dbraw/zinc/46/99/21/386469921.db2.gz HWAKOPMXWPRWED-QMMMGPOBSA-N 1 0 209.249 -0.511 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CC#N)C2)C1 ZINC000527011198 386728883 /nfs/dbraw/zinc/72/88/83/386728883.db2.gz OZIKOQFLPUQHLJ-SECBINFHSA-N 1 0 223.276 -0.575 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CC#N)C2)C1 ZINC000527011199 386729355 /nfs/dbraw/zinc/72/93/55/386729355.db2.gz OZIKOQFLPUQHLJ-VIFPVBQESA-N 1 0 223.276 -0.575 20 30 BBEDRO C=CCOCC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528599652 388550196 /nfs/dbraw/zinc/55/01/96/388550196.db2.gz RHWXDWHBZPMCQO-QWRGUYRKSA-N 1 0 215.293 -0.278 20 30 BBEDRO C=CCC[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528603165 388551314 /nfs/dbraw/zinc/55/13/14/388551314.db2.gz DKKRNWMXDKRZDM-SDDRHHMPSA-N 1 0 229.320 -0.154 20 30 BBEDRO C=CCC[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528603166 388551516 /nfs/dbraw/zinc/55/15/16/388551516.db2.gz DKKRNWMXDKRZDM-SRVKXCTJSA-N 1 0 229.320 -0.154 20 30 BBEDRO COCC#CC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528607379 388551078 /nfs/dbraw/zinc/55/10/78/388551078.db2.gz WMWUTCDPYPTNHB-QWRGUYRKSA-N 1 0 213.277 -0.831 20 30 BBEDRO C=CC[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528728457 388563992 /nfs/dbraw/zinc/56/39/92/388563992.db2.gz JJPYWSCUZDNEIE-UHFFFAOYSA-N 1 0 239.319 -0.157 20 30 BBEDRO COCC#CC[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528751721 262969680 /nfs/dbraw/zinc/96/96/80/262969680.db2.gz MXHFLOLGCWHEEE-BETUJISGSA-N 1 0 241.331 -0.051 20 30 BBEDRO C=CCN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222938 388633773 /nfs/dbraw/zinc/63/37/73/388633773.db2.gz MJSHOQUDINNMCQ-UHFFFAOYSA-N 1 0 238.335 -0.185 20 30 BBEDRO COC(C)(C)C[N@H+](C)CC(=O)NCC#N ZINC000532339659 323254847 /nfs/dbraw/zinc/25/48/47/323254847.db2.gz MSRNLWGWCYOFGP-UHFFFAOYSA-N 1 0 213.281 -0.017 20 30 BBEDRO C[C@H](C#N)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536544392 323161690 /nfs/dbraw/zinc/16/16/90/323161690.db2.gz QDKNIMFQYHMONB-GHMZBOCLSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[C@H](C#N)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000536544393 323161639 /nfs/dbraw/zinc/16/16/39/323161639.db2.gz QDKNIMFQYHMONB-MNOVXSKESA-N 1 0 236.319 -0.348 20 30 BBEDRO C[C@@H](C#N)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000536544394 323161735 /nfs/dbraw/zinc/16/17/35/323161735.db2.gz QDKNIMFQYHMONB-QWRGUYRKSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[C@@H](C#N)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536544395 323161662 /nfs/dbraw/zinc/16/16/62/323161662.db2.gz QDKNIMFQYHMONB-WDEREUQCSA-N 1 0 236.319 -0.348 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000539696043 388771338 /nfs/dbraw/zinc/77/13/38/388771338.db2.gz DKXHFVNYIXIFEL-SECBINFHSA-N 1 0 225.292 -0.644 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000539696044 388771561 /nfs/dbraw/zinc/77/15/61/388771561.db2.gz DKXHFVNYIXIFEL-VIFPVBQESA-N 1 0 225.292 -0.644 20 30 BBEDRO CC#CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000541808171 388868830 /nfs/dbraw/zinc/86/88/30/388868830.db2.gz JEHGCFKYAFPDGF-GFCCVEGCSA-N 1 0 235.331 -0.094 20 30 BBEDRO CC#CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000541808172 388868713 /nfs/dbraw/zinc/86/87/13/388868713.db2.gz JEHGCFKYAFPDGF-LBPRGKRZSA-N 1 0 235.331 -0.094 20 30 BBEDRO C[C@@H](C#N)CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000543805420 325115418 /nfs/dbraw/zinc/11/54/18/325115418.db2.gz IEPUIVBRIPYXBN-GXSJLCMTSA-N 1 0 242.323 -0.242 20 30 BBEDRO C[C@H](C#N)CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000543805421 325115042 /nfs/dbraw/zinc/11/50/42/325115042.db2.gz IEPUIVBRIPYXBN-KOLCDFICSA-N 1 0 242.323 -0.242 20 30 BBEDRO C[C@H](C#N)CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000543805422 325115626 /nfs/dbraw/zinc/11/56/26/325115626.db2.gz IEPUIVBRIPYXBN-MWLCHTKSSA-N 1 0 242.323 -0.242 20 30 BBEDRO C[C@@H](C#N)CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000543805423 325115324 /nfs/dbraw/zinc/11/53/24/325115324.db2.gz IEPUIVBRIPYXBN-ONGXEEELSA-N 1 0 242.323 -0.242 20 30 BBEDRO Cn1cc(C(C)(C)[NH2+]CC(=O)NCC#N)cn1 ZINC000546001032 325256659 /nfs/dbraw/zinc/25/66/59/325256659.db2.gz NGURQXOYISSXTN-UHFFFAOYSA-N 1 0 235.291 -0.115 20 30 BBEDRO C[C@@H](C#N)CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000546590756 325289449 /nfs/dbraw/zinc/28/94/49/325289449.db2.gz CWCMURWWUQTHAK-GXSJLCMTSA-N 1 0 240.307 -0.488 20 30 BBEDRO C[C@H](C#N)CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000546590757 325289680 /nfs/dbraw/zinc/28/96/80/325289680.db2.gz CWCMURWWUQTHAK-KOLCDFICSA-N 1 0 240.307 -0.488 20 30 BBEDRO C[C@H](C#N)CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000546590758 325289367 /nfs/dbraw/zinc/28/93/67/325289367.db2.gz CWCMURWWUQTHAK-MWLCHTKSSA-N 1 0 240.307 -0.488 20 30 BBEDRO C[C@@H](C#N)CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000546590759 325289665 /nfs/dbraw/zinc/28/96/65/325289665.db2.gz CWCMURWWUQTHAK-ONGXEEELSA-N 1 0 240.307 -0.488 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2ccncc2C#N)C1 ZINC000548155372 387324197 /nfs/dbraw/zinc/32/41/97/387324197.db2.gz FXAGKUQJFONJDL-GFCCVEGCSA-N 1 0 232.287 -0.146 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2ccncc2C#N)C1 ZINC000548155373 387326996 /nfs/dbraw/zinc/32/69/96/387326996.db2.gz FXAGKUQJFONJDL-LBPRGKRZSA-N 1 0 232.287 -0.146 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C#N)CCOC2)C1 ZINC000548466749 388540643 /nfs/dbraw/zinc/54/06/43/388540643.db2.gz PKZXAIOYEXLJGA-GXSJLCMTSA-N 1 0 223.276 -0.263 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C#N)CCOC2)C1 ZINC000548466750 388541012 /nfs/dbraw/zinc/54/10/12/388541012.db2.gz PKZXAIOYEXLJGA-KOLCDFICSA-N 1 0 223.276 -0.263 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C#N)CCOC2)C1 ZINC000548466751 388540635 /nfs/dbraw/zinc/54/06/35/388540635.db2.gz PKZXAIOYEXLJGA-MWLCHTKSSA-N 1 0 223.276 -0.263 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C#N)CCOC2)C1 ZINC000548466752 388540506 /nfs/dbraw/zinc/54/05/06/388540506.db2.gz PKZXAIOYEXLJGA-ONGXEEELSA-N 1 0 223.276 -0.263 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000549525709 388583419 /nfs/dbraw/zinc/58/34/19/388583419.db2.gz PGYQZXHTSICKSG-JTQLQIEISA-N 1 0 248.348 -0.188 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000549525710 388583166 /nfs/dbraw/zinc/58/31/66/388583166.db2.gz PGYQZXHTSICKSG-SNVBAGLBSA-N 1 0 248.348 -0.188 20 30 BBEDRO COC[C@@](C)(C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000551965960 388650692 /nfs/dbraw/zinc/65/06/92/388650692.db2.gz KELBQJQQEJBSQU-GXSJLCMTSA-N 1 0 225.292 -0.017 20 30 BBEDRO COC[C@](C)(C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551965961 388650215 /nfs/dbraw/zinc/65/02/15/388650215.db2.gz KELBQJQQEJBSQU-KOLCDFICSA-N 1 0 225.292 -0.017 20 30 BBEDRO COC[C@@](C)(C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551965962 388650016 /nfs/dbraw/zinc/65/00/16/388650016.db2.gz KELBQJQQEJBSQU-MWLCHTKSSA-N 1 0 225.292 -0.017 20 30 BBEDRO COC[C@](C)(C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000551965963 388650656 /nfs/dbraw/zinc/65/06/56/388650656.db2.gz KELBQJQQEJBSQU-ONGXEEELSA-N 1 0 225.292 -0.017 20 30 BBEDRO C[NH+](C)[C@H]1CN(C(=O)C2(C#N)CCC2)C[C@@H]1O ZINC000552155103 388673878 /nfs/dbraw/zinc/67/38/78/388673878.db2.gz GYFAIOVRLVGJNZ-UWVGGRQHSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[NH+](C)[C@H]1CN(C(=O)C(C)(C)C#N)C[C@@H]1O ZINC000552157174 325601934 /nfs/dbraw/zinc/60/19/34/325601934.db2.gz HCGYBYRFFPLAID-IUCAKERBSA-N 1 0 225.292 -0.331 20 30 BBEDRO C[NH+](C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O ZINC000552439453 388580516 /nfs/dbraw/zinc/58/05/16/388580516.db2.gz LYOFBMDGABDCEQ-QWRGUYRKSA-N 1 0 248.286 -0.367 20 30 BBEDRO N#CCCOCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000555461293 388850288 /nfs/dbraw/zinc/85/02/88/388850288.db2.gz ZTUSVRQFDVRBCV-GHMZBOCLSA-N 1 0 228.292 -0.408 20 30 BBEDRO N#CCCOCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000555461294 388850119 /nfs/dbraw/zinc/85/01/19/388850119.db2.gz ZTUSVRQFDVRBCV-MNOVXSKESA-N 1 0 228.292 -0.408 20 30 BBEDRO N#CCCOCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000555461295 388849966 /nfs/dbraw/zinc/84/99/66/388849966.db2.gz ZTUSVRQFDVRBCV-QWRGUYRKSA-N 1 0 228.292 -0.408 20 30 BBEDRO N#CCCOCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000555461296 388850789 /nfs/dbraw/zinc/85/07/89/388850789.db2.gz ZTUSVRQFDVRBCV-WDEREUQCSA-N 1 0 228.292 -0.408 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH2+]CC1 ZINC000557232189 398065770 /nfs/dbraw/zinc/06/57/70/398065770.db2.gz UCOJRQNVYJREDX-ZJUUUORDSA-N 1 0 225.292 -0.055 20 30 BBEDRO C=CCCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000557265096 322935816 /nfs/dbraw/zinc/93/58/16/322935816.db2.gz AYHHWNBIDGWPEJ-UHFFFAOYSA-N 1 0 211.265 -0.843 20 30 BBEDRO C=CCCCN(C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000557297327 322936101 /nfs/dbraw/zinc/93/61/01/322936101.db2.gz NAADHZRSJDMTPZ-UHFFFAOYSA-N 1 0 225.292 -0.501 20 30 BBEDRO N#CCCOCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000559150693 384606758 /nfs/dbraw/zinc/60/67/58/384606758.db2.gz ZOAQBAHAYRHJMH-GFCCVEGCSA-N 1 0 239.319 -0.067 20 30 BBEDRO N#CCCOCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000559150695 384608506 /nfs/dbraw/zinc/60/85/06/384608506.db2.gz ZOAQBAHAYRHJMH-LBPRGKRZSA-N 1 0 239.319 -0.067 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000562383075 323018666 /nfs/dbraw/zinc/01/86/66/323018666.db2.gz RKZNPKJHRQHFRF-AXFHLTTASA-N 1 0 242.319 -0.648 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000562383076 323018718 /nfs/dbraw/zinc/01/87/18/323018718.db2.gz RKZNPKJHRQHFRF-DCAQKATOSA-N 1 0 242.319 -0.648 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000562383077 323018800 /nfs/dbraw/zinc/01/88/00/323018800.db2.gz RKZNPKJHRQHFRF-GARJFASQSA-N 1 0 242.319 -0.648 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000562383078 323018712 /nfs/dbraw/zinc/01/87/12/323018712.db2.gz RKZNPKJHRQHFRF-HBNTYKKESA-N 1 0 242.319 -0.648 20 30 BBEDRO N#Cc1ncn(CC[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000563012736 323079901 /nfs/dbraw/zinc/07/99/01/323079901.db2.gz YKYPZDSOLKAIGF-LURJTMIESA-N 1 0 249.196 -0.337 20 30 BBEDRO N#Cc1ncn(CC[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000563012739 323079931 /nfs/dbraw/zinc/07/99/31/323079931.db2.gz YKYPZDSOLKAIGF-ZCFIWIBFSA-N 1 0 249.196 -0.337 20 30 BBEDRO C[NH+](C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O ZINC000563036643 323080853 /nfs/dbraw/zinc/08/08/53/323080853.db2.gz OPGQNSRRPNTQGY-UWVGGRQHSA-N 1 0 233.275 -0.541 20 30 BBEDRO C[NH2+]CCCn1c(=O)c(C#N)cn(C)c1=O ZINC000563081300 323088605 /nfs/dbraw/zinc/08/86/05/323088605.db2.gz NMRJVSWMWRKJLE-UHFFFAOYSA-N 1 0 222.248 -0.972 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000563085940 323090363 /nfs/dbraw/zinc/09/03/63/323090363.db2.gz ZAWYAKAAHNLVOQ-NXEZZACHSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000563085949 323090404 /nfs/dbraw/zinc/09/04/04/323090404.db2.gz ZAWYAKAAHNLVOQ-UWVGGRQHSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000563085950 323090391 /nfs/dbraw/zinc/09/03/91/323090391.db2.gz ZAWYAKAAHNLVOQ-VHSXEESVSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000563085951 323090394 /nfs/dbraw/zinc/09/03/94/323090394.db2.gz ZAWYAKAAHNLVOQ-ZJUUUORDSA-N 1 0 239.319 -0.207 20 30 BBEDRO N#Cc1c[nH]nc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000563092790 349986199 /nfs/dbraw/zinc/98/61/99/349986199.db2.gz LEOJLVOJMIZVFD-SECBINFHSA-N 1 0 249.274 -0.012 20 30 BBEDRO N#Cc1c[nH]nc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000563092808 349985708 /nfs/dbraw/zinc/98/57/08/349985708.db2.gz LEOJLVOJMIZVFD-VIFPVBQESA-N 1 0 249.274 -0.012 20 30 BBEDRO N#Cc1c[nH]nc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000563094375 412251738 /nfs/dbraw/zinc/25/17/38/412251738.db2.gz IRSAQGUWJIGSQP-GZMMTYOYSA-N 1 0 231.259 0.219 20 30 BBEDRO N#Cc1c[nH]nc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000563094377 412251015 /nfs/dbraw/zinc/25/10/15/412251015.db2.gz IRSAQGUWJIGSQP-KCJUWKMLSA-N 1 0 231.259 0.219 20 30 BBEDRO N#Cc1c[nH]nc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000563094380 412251222 /nfs/dbraw/zinc/25/12/22/412251222.db2.gz IRSAQGUWJIGSQP-KWQFWETISA-N 1 0 231.259 0.219 20 30 BBEDRO N#Cc1c[nH]nc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000563094381 412251662 /nfs/dbraw/zinc/25/16/62/412251662.db2.gz IRSAQGUWJIGSQP-LDYMZIIASA-N 1 0 231.259 0.219 20 30 BBEDRO C=CCCS(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000563130183 323094271 /nfs/dbraw/zinc/09/42/71/323094271.db2.gz GWUQCJRXLVTGOK-JTQLQIEISA-N 1 0 247.364 -0.615 20 30 BBEDRO C=CCCS(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000563130185 323094305 /nfs/dbraw/zinc/09/43/05/323094305.db2.gz GWUQCJRXLVTGOK-SNVBAGLBSA-N 1 0 247.364 -0.615 20 30 BBEDRO N#Cc1ccc(OCC[NH2+]C(CO)CO)cc1 ZINC000563361576 490260149 /nfs/dbraw/zinc/26/01/49/490260149.db2.gz LVNRPXBGHQTHCT-UHFFFAOYSA-N 1 0 236.271 -0.120 20 30 BBEDRO CC[C@H](CC#N)[NH2+]CCC(=O)NC(N)=O ZINC000563368010 323121617 /nfs/dbraw/zinc/12/16/17/323121617.db2.gz YUVCVHBFVRGHOB-SSDOTTSWSA-N 1 0 212.253 -0.147 20 30 BBEDRO CC[C@@H](CC#N)[NH2+]CCC(=O)NC(N)=O ZINC000563368015 323121588 /nfs/dbraw/zinc/12/15/88/323121588.db2.gz YUVCVHBFVRGHOB-ZETCQYMHSA-N 1 0 212.253 -0.147 20 30 BBEDRO C=CCCCCCNC(=O)CNC(=O)C[NH3+] ZINC000563411911 323124685 /nfs/dbraw/zinc/12/46/85/323124685.db2.gz LFDULOBMCSOJSG-UHFFFAOYSA-N 1 0 227.308 -0.076 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)o1 ZINC000563445876 323126183 /nfs/dbraw/zinc/12/61/83/323126183.db2.gz LYOAHSHSDQBHBE-ZETCQYMHSA-N 1 0 241.272 -0.127 20 30 BBEDRO C=CC[C@H](CO)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000563454734 323127158 /nfs/dbraw/zinc/12/71/58/323127158.db2.gz GZHQFIPHEYUAER-DTWKUNHWSA-N 1 0 213.281 -0.416 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000563454750 323127140 /nfs/dbraw/zinc/12/71/40/323127140.db2.gz GZHQFIPHEYUAER-IUCAKERBSA-N 1 0 213.281 -0.416 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H](C)[NH2+]CCC ZINC000563707683 323174590 /nfs/dbraw/zinc/17/45/90/323174590.db2.gz NGUUUYLJVBBZQC-SECBINFHSA-N 1 0 227.308 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H](C)[NH2+]CCC ZINC000563707714 323174569 /nfs/dbraw/zinc/17/45/69/323174569.db2.gz NGUUUYLJVBBZQC-VIFPVBQESA-N 1 0 227.308 -0.207 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000563811313 323178656 /nfs/dbraw/zinc/17/86/56/323178656.db2.gz XULKDDCSICXVAX-BDAKNGLRSA-N 1 0 227.308 -0.127 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000563811314 323178743 /nfs/dbraw/zinc/17/87/43/323178743.db2.gz XULKDDCSICXVAX-DTWKUNHWSA-N 1 0 227.308 -0.127 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563811315 323178762 /nfs/dbraw/zinc/17/87/62/323178762.db2.gz XULKDDCSICXVAX-IUCAKERBSA-N 1 0 227.308 -0.127 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000563811316 323178647 /nfs/dbraw/zinc/17/86/47/323178647.db2.gz XULKDDCSICXVAX-RKDXNWHRSA-N 1 0 227.308 -0.127 20 30 BBEDRO C=CCNC(=O)C[NH2+]C1(CC(=O)OC)CC1 ZINC000563815833 353543602 /nfs/dbraw/zinc/54/36/02/353543602.db2.gz VFBMCWHJZQYERJ-UHFFFAOYSA-N 1 0 226.276 -0.026 20 30 BBEDRO CC#CCN(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000564466067 384957716 /nfs/dbraw/zinc/95/77/16/384957716.db2.gz YDYFWULJTBCZGH-GFCCVEGCSA-N 1 0 228.336 -0.119 20 30 BBEDRO CC#CCN(C)C[C@H](O)C[N@@H+](C)CCOC ZINC000564466068 384956476 /nfs/dbraw/zinc/95/64/76/384956476.db2.gz YDYFWULJTBCZGH-LBPRGKRZSA-N 1 0 228.336 -0.119 20 30 BBEDRO C=CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000564890067 388896827 /nfs/dbraw/zinc/89/68/27/388896827.db2.gz YJAVOFSXFPKCHP-UHFFFAOYSA-N 1 0 223.280 -0.067 20 30 BBEDRO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1n[nH]cc1C#N ZINC000564937013 412272994 /nfs/dbraw/zinc/27/29/94/412272994.db2.gz SWZWPADWGHMNAS-HTRCEHHLSA-N 1 0 219.248 0.218 20 30 BBEDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1n[nH]cc1C#N ZINC000564937020 412164714 /nfs/dbraw/zinc/16/47/14/412164714.db2.gz SWZWPADWGHMNAS-POYBYMJQSA-N 1 0 219.248 0.218 20 30 BBEDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1n[nH]cc1C#N ZINC000564937021 412272978 /nfs/dbraw/zinc/27/29/78/412272978.db2.gz SWZWPADWGHMNAS-SVRRBLITSA-N 1 0 219.248 0.218 20 30 BBEDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1n[nH]cc1C#N ZINC000564937022 412157903 /nfs/dbraw/zinc/15/79/03/412157903.db2.gz SWZWPADWGHMNAS-XPUUQOCRSA-N 1 0 219.248 0.218 20 30 BBEDRO C=CCN1CC[C@H](N(CC[NH3+])CCO)C1=O ZINC000564985130 325840150 /nfs/dbraw/zinc/84/01/50/325840150.db2.gz YEACMFOFNWNWIX-JTQLQIEISA-N 1 0 227.308 -0.974 20 30 BBEDRO C=CCN1CC[C@@H](N(CC[NH3+])CCO)C1=O ZINC000564985133 325840220 /nfs/dbraw/zinc/84/02/20/325840220.db2.gz YEACMFOFNWNWIX-SNVBAGLBSA-N 1 0 227.308 -0.974 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000564986843 325840107 /nfs/dbraw/zinc/84/01/07/325840107.db2.gz HUDJTPRQJRACEI-MRVPVSSYSA-N 1 0 233.262 -0.173 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000564986847 325840101 /nfs/dbraw/zinc/84/01/01/325840101.db2.gz HUDJTPRQJRACEI-QMMMGPOBSA-N 1 0 233.262 -0.173 20 30 BBEDRO C=CCCCCCNC(=O)C(=O)NCC[NH3+] ZINC000565224530 388927968 /nfs/dbraw/zinc/92/79/68/388927968.db2.gz HRRBOFFADFPGSW-UHFFFAOYSA-N 1 0 227.308 -0.076 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000565254034 325888601 /nfs/dbraw/zinc/88/86/01/325888601.db2.gz MUZATNLASZFUAR-VIFPVBQESA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000565256114 388932898 /nfs/dbraw/zinc/93/28/98/388932898.db2.gz WIYVQFHWJHUHBF-JTQLQIEISA-N 1 0 237.303 -0.335 20 30 BBEDRO C=CCC[C@H](O)C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000565312681 323085612 /nfs/dbraw/zinc/08/56/12/323085612.db2.gz KMDZKPBIYYKXML-GXSJLCMTSA-N 1 0 228.292 -0.453 20 30 BBEDRO C=CCC[C@@H](O)C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000565312682 323085640 /nfs/dbraw/zinc/08/56/40/323085640.db2.gz KMDZKPBIYYKXML-KOLCDFICSA-N 1 0 228.292 -0.453 20 30 BBEDRO C=CCC[C@@H](O)C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000565312683 323085631 /nfs/dbraw/zinc/08/56/31/323085631.db2.gz KMDZKPBIYYKXML-MWLCHTKSSA-N 1 0 228.292 -0.453 20 30 BBEDRO C=CCC[C@H](O)C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000565312684 323085635 /nfs/dbraw/zinc/08/56/35/323085635.db2.gz KMDZKPBIYYKXML-ONGXEEELSA-N 1 0 228.292 -0.453 20 30 BBEDRO CC[N@H+](CCO)CCNS(=O)(=O)CCC#N ZINC000565371410 388940721 /nfs/dbraw/zinc/94/07/21/388940721.db2.gz HNNNTDIJODBLJT-UHFFFAOYSA-N 1 0 249.336 -0.866 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CC#N)C2)C1 ZINC000565429828 388944102 /nfs/dbraw/zinc/94/41/02/388944102.db2.gz AGMJIPMPMTWRHO-JTQLQIEISA-N 1 0 237.303 -0.185 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CC#N)C2)C1 ZINC000565429846 388944983 /nfs/dbraw/zinc/94/49/83/388944983.db2.gz AGMJIPMPMTWRHO-SNVBAGLBSA-N 1 0 237.303 -0.185 20 30 BBEDRO C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)[C@@H](C)C[NH2+]1 ZINC000565488234 325917684 /nfs/dbraw/zinc/91/76/84/325917684.db2.gz UXJKPKGRPBCWGQ-BDAKNGLRSA-N 1 0 248.290 -0.641 20 30 BBEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cn1cnc(C#N)n1 ZINC000565488235 325917947 /nfs/dbraw/zinc/91/79/47/325917947.db2.gz UXJKPKGRPBCWGQ-DTWKUNHWSA-N 1 0 248.290 -0.641 20 30 BBEDRO C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)[C@H](C)C[NH2+]1 ZINC000565488237 325918018 /nfs/dbraw/zinc/91/80/18/325918018.db2.gz UXJKPKGRPBCWGQ-RKDXNWHRSA-N 1 0 248.290 -0.641 20 30 BBEDRO C=CCN(C(=O)C(=O)NC1C[NH2+]C1)C1CC1 ZINC000565530406 325923673 /nfs/dbraw/zinc/92/36/73/325923673.db2.gz LLLNVMFNIXYYNO-UHFFFAOYSA-N 1 0 223.276 -0.749 20 30 BBEDRO C=CCN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000565549280 325927473 /nfs/dbraw/zinc/92/74/73/325927473.db2.gz AJVZQEQOXULBJH-VIFPVBQESA-N 1 0 237.303 -0.359 20 30 BBEDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)N(C)CCC#N ZINC000565716347 388964165 /nfs/dbraw/zinc/96/41/65/388964165.db2.gz OHVKUFJRUYJZJQ-HTQZYQBOSA-N 1 0 234.325 -0.598 20 30 BBEDRO C[C@@H](NS(=O)(=O)N(C)CCC#N)[C@H](C)[NH3+] ZINC000565716350 388965232 /nfs/dbraw/zinc/96/52/32/388965232.db2.gz OHVKUFJRUYJZJQ-JGVFFNPUSA-N 1 0 234.325 -0.598 20 30 BBEDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)N(C)CCC#N ZINC000565716351 388965216 /nfs/dbraw/zinc/96/52/16/388965216.db2.gz OHVKUFJRUYJZJQ-SFYZADRCSA-N 1 0 234.325 -0.598 20 30 BBEDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)N(C)CCC#N ZINC000565716352 388965228 /nfs/dbraw/zinc/96/52/28/388965228.db2.gz OHVKUFJRUYJZJQ-YUMQZZPRSA-N 1 0 234.325 -0.598 20 30 BBEDRO C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000565893233 388976936 /nfs/dbraw/zinc/97/69/36/388976936.db2.gz YHVUKEGUGLKFKE-GRYCIOLGSA-N 1 0 243.351 -0.058 20 30 BBEDRO C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000565893236 388976424 /nfs/dbraw/zinc/97/64/24/388976424.db2.gz YHVUKEGUGLKFKE-SDDRHHMPSA-N 1 0 243.351 -0.058 20 30 BBEDRO C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000565893237 325970490 /nfs/dbraw/zinc/97/04/90/325970490.db2.gz YHVUKEGUGLKFKE-SRVKXCTJSA-N 1 0 243.351 -0.058 20 30 BBEDRO C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000565893238 325970807 /nfs/dbraw/zinc/97/08/07/325970807.db2.gz YHVUKEGUGLKFKE-WOPDTQHZSA-N 1 0 243.351 -0.058 20 30 BBEDRO C=CCn1cc(CNC(=O)C[NH2+]C2CC2)nn1 ZINC000565945747 325976804 /nfs/dbraw/zinc/97/68/04/325976804.db2.gz VSPJZKPNTQLPGH-UHFFFAOYSA-N 1 0 235.291 -0.168 20 30 BBEDRO C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)N(C)C ZINC000565946623 388981102 /nfs/dbraw/zinc/98/11/02/388981102.db2.gz ZMIQPDRSDXNNLC-NWDGAFQWSA-N 1 0 242.367 -0.268 20 30 BBEDRO C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N(C)C ZINC000565946624 388980790 /nfs/dbraw/zinc/98/07/90/388980790.db2.gz ZMIQPDRSDXNNLC-RYUDHWBXSA-N 1 0 242.367 -0.268 20 30 BBEDRO C=CC[C@@H](CC)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000566058626 325988802 /nfs/dbraw/zinc/98/88/02/325988802.db2.gz OXJCLQHGAHVQLU-MRVPVSSYSA-N 1 0 225.292 -0.455 20 30 BBEDRO C=CC[C@H](CC)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000566058627 388986065 /nfs/dbraw/zinc/98/60/65/388986065.db2.gz OXJCLQHGAHVQLU-QMMMGPOBSA-N 1 0 225.292 -0.455 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COC ZINC000566121442 398096796 /nfs/dbraw/zinc/09/67/96/398096796.db2.gz GOQRZEBPEMOHLR-AEJSXWLSSA-N 1 0 201.266 -0.073 20 30 BBEDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)NCC#N ZINC000566139059 326001726 /nfs/dbraw/zinc/00/17/26/326001726.db2.gz WAXNYLGEBUXQFJ-JTQLQIEISA-N 1 0 224.308 -0.348 20 30 BBEDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)NCC#N ZINC000566139060 326001630 /nfs/dbraw/zinc/00/16/30/326001630.db2.gz WAXNYLGEBUXQFJ-SNVBAGLBSA-N 1 0 224.308 -0.348 20 30 BBEDRO COCC[N@@H+]1CC[C@@H](Nc2ncncc2C#N)C1 ZINC000566150354 326003060 /nfs/dbraw/zinc/00/30/60/326003060.db2.gz YLNSKUGBFQNAJV-LLVKDONJSA-N 1 0 247.302 -0.097 20 30 BBEDRO COCC[N@@H+]1CC[C@H](Nc2ncncc2C#N)C1 ZINC000566150357 326003195 /nfs/dbraw/zinc/00/31/95/326003195.db2.gz YLNSKUGBFQNAJV-NSHDSACASA-N 1 0 247.302 -0.097 20 30 BBEDRO N#Cc1c[nH]nc1NC(=O)CCOC1C[NH2+]C1 ZINC000566193893 326009860 /nfs/dbraw/zinc/00/98/60/326009860.db2.gz PHBQKTNWDAARFW-UHFFFAOYSA-N 1 0 235.247 -0.402 20 30 BBEDRO C=CC[C@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000566233614 326019750 /nfs/dbraw/zinc/01/97/50/326019750.db2.gz DYPRACYTCZRMEM-SSDOTTSWSA-N 1 0 215.253 -0.902 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]CCC(=O)NC(N)=O ZINC000566233628 326019833 /nfs/dbraw/zinc/01/98/33/326019833.db2.gz DYPRACYTCZRMEM-ZETCQYMHSA-N 1 0 215.253 -0.902 20 30 BBEDRO O=C(CC[NH2+]CC#CCO)Nc1cccnc1 ZINC000566236044 326020590 /nfs/dbraw/zinc/02/05/90/326020590.db2.gz ZOYBLGNSQBTCHZ-UHFFFAOYSA-N 1 0 233.271 -0.005 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2ccnc(C#N)n2)C1 ZINC000566485354 326056831 /nfs/dbraw/zinc/05/68/31/326056831.db2.gz HCUFDPKJURFYFG-LLVKDONJSA-N 1 0 233.275 -0.751 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2ccnc(C#N)n2)C1 ZINC000566485355 326057159 /nfs/dbraw/zinc/05/71/59/326057159.db2.gz HCUFDPKJURFYFG-NSHDSACASA-N 1 0 233.275 -0.751 20 30 BBEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC#CCO ZINC000566688419 326074618 /nfs/dbraw/zinc/07/46/18/326074618.db2.gz ZMSANQBISSKFMY-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC#CCO ZINC000566688420 326074544 /nfs/dbraw/zinc/07/45/44/326074544.db2.gz ZMSANQBISSKFMY-PHIMTYICSA-N 1 0 224.304 -0.029 20 30 BBEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC#CCO ZINC000566688421 326074459 /nfs/dbraw/zinc/07/44/59/326074459.db2.gz ZMSANQBISSKFMY-QWRGUYRKSA-N 1 0 224.304 -0.029 20 30 BBEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)COC ZINC000566737117 326078401 /nfs/dbraw/zinc/07/84/01/326078401.db2.gz DSVXVIUVMJKZRL-UWVGGRQHSA-N 1 0 203.282 -0.232 20 30 BBEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)COC ZINC000566737124 326076892 /nfs/dbraw/zinc/07/68/92/326076892.db2.gz DSVXVIUVMJKZRL-ZJUUUORDSA-N 1 0 203.282 -0.232 20 30 BBEDRO COC[C@@](C)([NH3+])CNc1ccnc(C#N)n1 ZINC000566807247 326085711 /nfs/dbraw/zinc/08/57/11/326085711.db2.gz JLTAWOPAYIXGQL-JTQLQIEISA-N 1 0 221.264 -0.454 20 30 BBEDRO COC[C@](C)([NH3+])CNc1ccnc(C#N)n1 ZINC000566807248 326085377 /nfs/dbraw/zinc/08/53/77/326085377.db2.gz JLTAWOPAYIXGQL-SNVBAGLBSA-N 1 0 221.264 -0.454 20 30 BBEDRO COCC[C@@]1([NH2+]CC(=O)NCC#N)CCOC1 ZINC000566836062 326086629 /nfs/dbraw/zinc/08/66/29/326086629.db2.gz HNBQRDKXKLCTKZ-LLVKDONJSA-N 1 0 241.291 -0.589 20 30 BBEDRO COCC[C@]1([NH2+]CC(=O)NCC#N)CCOC1 ZINC000566836063 326086648 /nfs/dbraw/zinc/08/66/48/326086648.db2.gz HNBQRDKXKLCTKZ-NSHDSACASA-N 1 0 241.291 -0.589 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000566846104 326087214 /nfs/dbraw/zinc/08/72/14/326087214.db2.gz LFAMCRLIKSQPEX-UHFFFAOYSA-N 1 0 223.276 -0.725 20 30 BBEDRO CC(C)[C@@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000566915645 326094114 /nfs/dbraw/zinc/09/41/14/326094114.db2.gz KZCCMMKQUQHRRG-NEPJUHHUSA-N 1 0 243.351 -0.201 20 30 BBEDRO CC(C)[C@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000566915646 326093932 /nfs/dbraw/zinc/09/39/32/326093932.db2.gz KZCCMMKQUQHRRG-NWDGAFQWSA-N 1 0 243.351 -0.201 20 30 BBEDRO CC(C)[C@@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000566915647 326093956 /nfs/dbraw/zinc/09/39/56/326093956.db2.gz KZCCMMKQUQHRRG-RYUDHWBXSA-N 1 0 243.351 -0.201 20 30 BBEDRO CC(C)[C@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000566915648 326094093 /nfs/dbraw/zinc/09/40/93/326094093.db2.gz KZCCMMKQUQHRRG-VXGBXAGGSA-N 1 0 243.351 -0.201 20 30 BBEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566926160 326095145 /nfs/dbraw/zinc/09/51/45/326095145.db2.gz IVFHLFQYDLFCHQ-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO CC[N@H+](CCO)CCNS(=O)(=O)[C@H](C)C#N ZINC000567407934 326185283 /nfs/dbraw/zinc/18/52/83/326185283.db2.gz PRMSBUXNSSTAHP-SECBINFHSA-N 1 0 249.336 -0.868 20 30 BBEDRO CC[N@H+](CCO)CCNS(=O)(=O)[C@@H](C)C#N ZINC000567407935 326184991 /nfs/dbraw/zinc/18/49/91/326184991.db2.gz PRMSBUXNSSTAHP-VIFPVBQESA-N 1 0 249.336 -0.868 20 30 BBEDRO COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000567581620 326222462 /nfs/dbraw/zinc/22/24/62/326222462.db2.gz JCYDPSIXNFJSEO-GHMZBOCLSA-N 1 0 229.324 -0.183 20 30 BBEDRO COC[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000567581621 326222403 /nfs/dbraw/zinc/22/24/03/326222403.db2.gz JCYDPSIXNFJSEO-MNOVXSKESA-N 1 0 229.324 -0.183 20 30 BBEDRO CC[C@@H](CO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000567612987 326228900 /nfs/dbraw/zinc/22/89/00/326228900.db2.gz HFOUFNIINZHKPO-QWRGUYRKSA-N 1 0 229.324 -0.447 20 30 BBEDRO CC[C@@H](CO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000567612988 326229097 /nfs/dbraw/zinc/22/90/97/326229097.db2.gz HFOUFNIINZHKPO-WDEREUQCSA-N 1 0 229.324 -0.447 20 30 BBEDRO CC[C@H](CC#N)[NH2+]CCCS(N)(=O)=O ZINC000567624377 326231704 /nfs/dbraw/zinc/23/17/04/326231704.db2.gz NJTLYAWYNGFZRR-MRVPVSSYSA-N 1 0 219.310 -0.053 20 30 BBEDRO CC[C@@H](CC#N)[NH2+]CCCS(N)(=O)=O ZINC000567624378 326231603 /nfs/dbraw/zinc/23/16/03/326231603.db2.gz NJTLYAWYNGFZRR-QMMMGPOBSA-N 1 0 219.310 -0.053 20 30 BBEDRO C=CCn1cc(CNC(=O)C2(C)C[NH2+]C2)nn1 ZINC000567661869 326240637 /nfs/dbraw/zinc/24/06/37/326240637.db2.gz IECDTUADRYRZGW-UHFFFAOYSA-N 1 0 235.291 -0.310 20 30 BBEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)NC(N)=O ZINC000567695912 326246926 /nfs/dbraw/zinc/24/69/26/326246926.db2.gz IPSGXYRFNBPABG-BDAKNGLRSA-N 1 0 241.291 -0.105 20 30 BBEDRO N#CCC1(C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000567700639 323077427 /nfs/dbraw/zinc/07/74/27/323077427.db2.gz NNVACXFLCAGUFP-UHFFFAOYSA-N 1 0 224.264 -0.145 20 30 BBEDRO N#CCNC(=O)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000567707131 326249113 /nfs/dbraw/zinc/24/91/13/326249113.db2.gz KIZVMKLQSHXBRS-GFCCVEGCSA-N 1 0 247.298 -0.181 20 30 BBEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000567707132 326249037 /nfs/dbraw/zinc/24/90/37/326249037.db2.gz KIZVMKLQSHXBRS-LBPRGKRZSA-N 1 0 247.298 -0.181 20 30 BBEDRO C[C@@H](CN(C)C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000567708241 326249181 /nfs/dbraw/zinc/24/91/81/326249181.db2.gz KKVUAJLWBKITEC-NWDGAFQWSA-N 1 0 242.367 -0.268 20 30 BBEDRO C[C@@H](CN(C)C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000567708242 326249118 /nfs/dbraw/zinc/24/91/18/326249118.db2.gz KKVUAJLWBKITEC-RYUDHWBXSA-N 1 0 242.367 -0.268 20 30 BBEDRO CCOCC[C@H](O)C[NH2+]CC#CCO ZINC000567877847 326275354 /nfs/dbraw/zinc/27/53/54/326275354.db2.gz UZUXNJNYRKQJNT-JTQLQIEISA-N 1 0 201.266 -0.641 20 30 BBEDRO CCOCC[C@@H](O)C[NH2+]CC#CCO ZINC000567877848 326275442 /nfs/dbraw/zinc/27/54/42/326275442.db2.gz UZUXNJNYRKQJNT-SNVBAGLBSA-N 1 0 201.266 -0.641 20 30 BBEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cnc(C#N)n1 ZINC000568102237 326308601 /nfs/dbraw/zinc/30/86/01/326308601.db2.gz BCHATUVOSRAMFT-BDAKNGLRSA-N 1 0 248.290 -0.736 20 30 BBEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cnc(C#N)n1 ZINC000568102238 326308648 /nfs/dbraw/zinc/30/86/48/326308648.db2.gz BCHATUVOSRAMFT-DTWKUNHWSA-N 1 0 248.290 -0.736 20 30 BBEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cnc(C#N)n1 ZINC000568102239 326308546 /nfs/dbraw/zinc/30/85/46/326308546.db2.gz BCHATUVOSRAMFT-IUCAKERBSA-N 1 0 248.290 -0.736 20 30 BBEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cnc(C#N)n1 ZINC000568102240 326308715 /nfs/dbraw/zinc/30/87/15/326308715.db2.gz BCHATUVOSRAMFT-RKDXNWHRSA-N 1 0 248.290 -0.736 20 30 BBEDRO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568294118 326342478 /nfs/dbraw/zinc/34/24/78/326342478.db2.gz JMNJPPOYVOWTOE-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO CC#CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000568371193 326350721 /nfs/dbraw/zinc/35/07/21/326350721.db2.gz MMOFVOBAWFZABX-LLVKDONJSA-N 1 0 238.335 -0.316 20 30 BBEDRO CC#CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000568371194 326350442 /nfs/dbraw/zinc/35/04/42/326350442.db2.gz MMOFVOBAWFZABX-NSHDSACASA-N 1 0 238.335 -0.316 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCC(C)(C)O ZINC000568383543 326351947 /nfs/dbraw/zinc/35/19/47/326351947.db2.gz SHUJHYRLPCECRB-LLVKDONJSA-N 1 0 243.351 -0.057 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCC(C)(C)O ZINC000568383544 326351858 /nfs/dbraw/zinc/35/18/58/326351858.db2.gz SHUJHYRLPCECRB-NSHDSACASA-N 1 0 243.351 -0.057 20 30 BBEDRO C=CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000568623600 326368084 /nfs/dbraw/zinc/36/80/84/326368084.db2.gz UPQMHWSHJLRUOA-UHFFFAOYSA-N 1 0 209.253 -0.457 20 30 BBEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2COC[C@H]2OC)C1=O ZINC000568627944 326368603 /nfs/dbraw/zinc/36/86/03/326368603.db2.gz KJSIVYPHWZDKPM-GMTAPVOTSA-N 1 0 240.303 -0.223 20 30 BBEDRO C=CCN1CC[C@H]([NH2+][C@@H]2COC[C@H]2OC)C1=O ZINC000568627945 326368972 /nfs/dbraw/zinc/36/89/72/326368972.db2.gz KJSIVYPHWZDKPM-HBNTYKKESA-N 1 0 240.303 -0.223 20 30 BBEDRO CC(C)[C@@H](CO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000568632768 326369716 /nfs/dbraw/zinc/36/97/16/326369716.db2.gz ZLRZEAZRGPTBCH-NWDGAFQWSA-N 1 0 243.351 -0.201 20 30 BBEDRO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000568632769 326369772 /nfs/dbraw/zinc/36/97/72/326369772.db2.gz ZLRZEAZRGPTBCH-VXGBXAGGSA-N 1 0 243.351 -0.201 20 30 BBEDRO N#CCC[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000568740128 326374129 /nfs/dbraw/zinc/37/41/29/326374129.db2.gz AKUAIDNTUDYPGP-MRVPVSSYSA-N 1 0 206.253 -0.119 20 30 BBEDRO N#CCC[NH2+][C@H]1CCc2nnnn2CC1 ZINC000568740136 326373921 /nfs/dbraw/zinc/37/39/21/326373921.db2.gz AKUAIDNTUDYPGP-QMMMGPOBSA-N 1 0 206.253 -0.119 20 30 BBEDRO N#CCC(=O)N1CCN(CCCO)CC1 ZINC000568780561 326377404 /nfs/dbraw/zinc/37/74/04/326377404.db2.gz YQGIWUJWRHYBSU-UHFFFAOYSA-N 1 0 211.265 -0.573 20 30 BBEDRO C=CCN1CC[C@@H](N2CCO[C@H](C[NH3+])C2)C1=O ZINC000568985166 326384707 /nfs/dbraw/zinc/38/47/07/326384707.db2.gz GQDRRHLNBGXCGN-GHMZBOCLSA-N 1 0 239.319 -0.567 20 30 BBEDRO C=CCN1CC[C@H](N2CCO[C@H](C[NH3+])C2)C1=O ZINC000568985167 326384686 /nfs/dbraw/zinc/38/46/86/326384686.db2.gz GQDRRHLNBGXCGN-MNOVXSKESA-N 1 0 239.319 -0.567 20 30 BBEDRO C=CCN1CC[C@H](N2CCO[C@@H](C[NH3+])C2)C1=O ZINC000568985168 326384759 /nfs/dbraw/zinc/38/47/59/326384759.db2.gz GQDRRHLNBGXCGN-QWRGUYRKSA-N 1 0 239.319 -0.567 20 30 BBEDRO C=CCN1CC[C@@H](N2CCO[C@@H](C[NH3+])C2)C1=O ZINC000568985169 326384755 /nfs/dbraw/zinc/38/47/55/326384755.db2.gz GQDRRHLNBGXCGN-WDEREUQCSA-N 1 0 239.319 -0.567 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC000569002672 326386194 /nfs/dbraw/zinc/38/61/94/326386194.db2.gz DQDJUZCHICWBFL-NEPJUHHUSA-N 1 0 241.335 -0.447 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC000569002674 326386245 /nfs/dbraw/zinc/38/62/45/326386245.db2.gz DQDJUZCHICWBFL-NWDGAFQWSA-N 1 0 241.335 -0.447 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC000569002675 326386185 /nfs/dbraw/zinc/38/61/85/326386185.db2.gz DQDJUZCHICWBFL-RYUDHWBXSA-N 1 0 241.335 -0.447 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC000569002676 326386196 /nfs/dbraw/zinc/38/61/96/326386196.db2.gz DQDJUZCHICWBFL-VXGBXAGGSA-N 1 0 241.335 -0.447 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)nn1 ZINC000569122778 326391745 /nfs/dbraw/zinc/39/17/45/326391745.db2.gz IHKAUKLUTFEOBY-DTORHVGOSA-N 1 0 235.291 -0.182 20 30 BBEDRO CC1(C)CC[N@H+](CC(=O)NCC#CCO)C1 ZINC000569239705 326397169 /nfs/dbraw/zinc/39/71/69/326397169.db2.gz XRGJPRCFRSFKGI-UHFFFAOYSA-N 1 0 224.304 -0.170 20 30 BBEDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)N(C)CCC#N ZINC000569241278 326397296 /nfs/dbraw/zinc/39/72/96/326397296.db2.gz ORRPYODHGKBPTQ-BDAKNGLRSA-N 1 0 248.352 -0.208 20 30 BBEDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)N(C)CCC#N ZINC000569241279 326397278 /nfs/dbraw/zinc/39/72/78/326397278.db2.gz ORRPYODHGKBPTQ-DTWKUNHWSA-N 1 0 248.352 -0.208 20 30 BBEDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)N(C)CCC#N ZINC000569241280 326397400 /nfs/dbraw/zinc/39/74/00/326397400.db2.gz ORRPYODHGKBPTQ-IUCAKERBSA-N 1 0 248.352 -0.208 20 30 BBEDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)N(C)CCC#N ZINC000569241281 326397183 /nfs/dbraw/zinc/39/71/83/326397183.db2.gz ORRPYODHGKBPTQ-RKDXNWHRSA-N 1 0 248.352 -0.208 20 30 BBEDRO N#Cc1cccc(NC(=O)C[NH2+]C(CO)CO)c1 ZINC000569256591 326398202 /nfs/dbraw/zinc/39/82/02/326398202.db2.gz PMWJCIXRJFVLSG-UHFFFAOYSA-N 1 0 249.270 -0.560 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000569337608 322943685 /nfs/dbraw/zinc/94/36/85/322943685.db2.gz JISPSBVLAPKRTE-BXKDBHETSA-N 1 0 237.303 -0.596 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000569337609 322943582 /nfs/dbraw/zinc/94/35/82/322943582.db2.gz JISPSBVLAPKRTE-CABZTGNLSA-N 1 0 237.303 -0.596 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000569337610 385217962 /nfs/dbraw/zinc/21/79/62/385217962.db2.gz JISPSBVLAPKRTE-JOYOIKCWSA-N 1 0 237.303 -0.596 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000569337611 385218593 /nfs/dbraw/zinc/21/85/93/385218593.db2.gz JISPSBVLAPKRTE-SKDRFNHKSA-N 1 0 237.303 -0.596 20 30 BBEDRO CN1CCO[C@@H](C(=O)NCC2(C#N)CC2)C1 ZINC000569564897 384251346 /nfs/dbraw/zinc/25/13/46/384251346.db2.gz FZIMTJMHBCYWJE-SECBINFHSA-N 1 0 223.276 -0.263 20 30 BBEDRO CN1CCO[C@H](C(=O)NCC2(C#N)CC2)C1 ZINC000569564898 384250384 /nfs/dbraw/zinc/25/03/84/384250384.db2.gz FZIMTJMHBCYWJE-VIFPVBQESA-N 1 0 223.276 -0.263 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000569624228 322999807 /nfs/dbraw/zinc/99/98/07/322999807.db2.gz WYUCPWKTGWFDHQ-AEJSXWLSSA-N 1 0 225.292 -0.009 20 30 BBEDRO C[NH+]1CCC(C(=O)NCC#CCO)CC1 ZINC000569624724 384673354 /nfs/dbraw/zinc/67/33/54/384673354.db2.gz XGSSGGILXJQGFI-UHFFFAOYSA-N 1 0 210.277 -0.560 20 30 BBEDRO C[NH2+]C[C@H](C)C(=O)Nc1n[nH]cc1C#N ZINC000569720702 412290449 /nfs/dbraw/zinc/29/04/49/412290449.db2.gz HHTMEEDOLAKJOH-LURJTMIESA-N 1 0 207.237 0.075 20 30 BBEDRO C[NH2+]C[C@@H](C)C(=O)Nc1n[nH]cc1C#N ZINC000569720706 491093896 /nfs/dbraw/zinc/09/38/96/491093896.db2.gz HHTMEEDOLAKJOH-ZCFIWIBFSA-N 1 0 207.237 0.075 20 30 BBEDRO C[C@H]1CN(CCNc2ccnc(C#N)n2)CCO1 ZINC000569743885 323039537 /nfs/dbraw/zinc/03/95/37/323039537.db2.gz OQNOCMAZPKJBHJ-JTQLQIEISA-N 1 0 247.302 -0.097 20 30 BBEDRO C[C@@H]1CN(CCNc2ccnc(C#N)n2)CCO1 ZINC000569743888 323039596 /nfs/dbraw/zinc/03/95/96/323039596.db2.gz OQNOCMAZPKJBHJ-SNVBAGLBSA-N 1 0 247.302 -0.097 20 30 BBEDRO CC[N@H+](C)C[C@H](O)CN(CC#N)CC(=O)OC ZINC000569937992 323044793 /nfs/dbraw/zinc/04/47/93/323044793.db2.gz QKNFRHMIBFLVSE-JTQLQIEISA-N 1 0 243.307 -0.702 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)CN(CC#N)CC(=O)OC ZINC000569937998 323044840 /nfs/dbraw/zinc/04/48/40/323044840.db2.gz QKNFRHMIBFLVSE-SNVBAGLBSA-N 1 0 243.307 -0.702 20 30 BBEDRO C=CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569941751 323045390 /nfs/dbraw/zinc/04/53/90/323045390.db2.gz NHDIUBUTFPRZHQ-BDAKNGLRSA-N 1 0 238.291 -0.874 20 30 BBEDRO C=CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569941757 323045461 /nfs/dbraw/zinc/04/54/61/323045461.db2.gz NHDIUBUTFPRZHQ-DTWKUNHWSA-N 1 0 238.291 -0.874 20 30 BBEDRO C=CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569941762 323045469 /nfs/dbraw/zinc/04/54/69/323045469.db2.gz NHDIUBUTFPRZHQ-IUCAKERBSA-N 1 0 238.291 -0.874 20 30 BBEDRO C=CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569941765 323045491 /nfs/dbraw/zinc/04/54/91/323045491.db2.gz NHDIUBUTFPRZHQ-RKDXNWHRSA-N 1 0 238.291 -0.874 20 30 BBEDRO C=C(C)CN(CC)C(=O)C(=O)NC1C[NH2+]C1 ZINC000570030449 323047723 /nfs/dbraw/zinc/04/77/23/323047723.db2.gz HXAVYNBJBNHCBI-UHFFFAOYSA-N 1 0 225.292 -0.501 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)nn1 ZINC000570079207 323049186 /nfs/dbraw/zinc/04/91/86/323049186.db2.gz IARGWZIMPNWWHK-SKDRFNHKSA-N 1 0 247.302 -0.168 20 30 BBEDRO C[NH+](C)CCCCC(=O)NCC#CCO ZINC000570342905 323056652 /nfs/dbraw/zinc/05/66/52/323056652.db2.gz GVHYYCMETJJFIJ-UHFFFAOYSA-N 1 0 212.293 -0.170 20 30 BBEDRO C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@H](C)[NH2+]1 ZINC000570578048 323063745 /nfs/dbraw/zinc/06/37/45/323063745.db2.gz JLKSZTLJVIQREP-DTORHVGOSA-N 1 0 248.290 -0.641 20 30 BBEDRO C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@H](C)[NH2+]1 ZINC000570578049 323063656 /nfs/dbraw/zinc/06/36/56/323063656.db2.gz JLKSZTLJVIQREP-IUCAKERBSA-N 1 0 248.290 -0.641 20 30 BBEDRO C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@H](C)[NH2+]1 ZINC000570578050 323063722 /nfs/dbraw/zinc/06/37/22/323063722.db2.gz JLKSZTLJVIQREP-RKDXNWHRSA-N 1 0 248.290 -0.641 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000570657100 323066150 /nfs/dbraw/zinc/06/61/50/323066150.db2.gz NSMBPUXXZKQJSE-GRYCIOLGSA-N 1 0 229.320 -0.011 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000570657101 323066106 /nfs/dbraw/zinc/06/61/06/323066106.db2.gz NSMBPUXXZKQJSE-SDDRHHMPSA-N 1 0 229.320 -0.011 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000570657102 323066098 /nfs/dbraw/zinc/06/60/98/323066098.db2.gz NSMBPUXXZKQJSE-SRVKXCTJSA-N 1 0 229.320 -0.011 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000570657103 323066141 /nfs/dbraw/zinc/06/61/41/323066141.db2.gz NSMBPUXXZKQJSE-WOPDTQHZSA-N 1 0 229.320 -0.011 20 30 BBEDRO COCC[N@H+](C)C[C@@H](O)CN1CC(C)(C#N)C1 ZINC000570693775 323067368 /nfs/dbraw/zinc/06/73/68/323067368.db2.gz AQJUGCSNYOZYGR-LLVKDONJSA-N 1 0 241.335 -0.229 20 30 BBEDRO COCC[N@H+](C)C[C@H](O)CN1CC(C)(C#N)C1 ZINC000570693778 323067363 /nfs/dbraw/zinc/06/73/63/323067363.db2.gz AQJUGCSNYOZYGR-NSHDSACASA-N 1 0 241.335 -0.229 20 30 BBEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)COC ZINC000570803066 323070873 /nfs/dbraw/zinc/07/08/73/323070873.db2.gz DSVXVIUVMJKZRL-NXEZZACHSA-N 1 0 203.282 -0.232 20 30 BBEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)COC ZINC000570803068 323070826 /nfs/dbraw/zinc/07/08/26/323070826.db2.gz DSVXVIUVMJKZRL-VHSXEESVSA-N 1 0 203.282 -0.232 20 30 BBEDRO C=CCSCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000570912142 323073943 /nfs/dbraw/zinc/07/39/43/323073943.db2.gz BLYZTJVRTGVTRM-UHFFFAOYSA-N 1 0 243.332 -0.890 20 30 BBEDRO CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1=O ZINC000570920275 323074227 /nfs/dbraw/zinc/07/42/27/323074227.db2.gz WACNIKPVYBHZDN-SECBINFHSA-N 1 0 238.291 -0.692 20 30 BBEDRO CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1=O ZINC000570920276 323074235 /nfs/dbraw/zinc/07/42/35/323074235.db2.gz WACNIKPVYBHZDN-VIFPVBQESA-N 1 0 238.291 -0.692 20 30 BBEDRO COC(=O)CC1([NH2+]CC(=O)NCC#N)CC1 ZINC000570970361 323102296 /nfs/dbraw/zinc/10/22/96/323102296.db2.gz LYULLDDHJJCMBJ-UHFFFAOYSA-N 1 0 225.248 -0.689 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)NCC[NH3+])o1 ZINC000570986354 323102852 /nfs/dbraw/zinc/10/28/52/323102852.db2.gz ADYQRNUKXMJEPY-UHFFFAOYSA-N 1 0 215.234 -0.612 20 30 BBEDRO C[C@H](C#N)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000571039659 323104445 /nfs/dbraw/zinc/10/44/45/323104445.db2.gz FVDDEQXTLPMZIY-GHMZBOCLSA-N 1 0 224.308 -0.058 20 30 BBEDRO C[C@H](C#N)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000571039660 323104408 /nfs/dbraw/zinc/10/44/08/323104408.db2.gz FVDDEQXTLPMZIY-MNOVXSKESA-N 1 0 224.308 -0.058 20 30 BBEDRO C[C@@H](C#N)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000571039661 323104352 /nfs/dbraw/zinc/10/43/52/323104352.db2.gz FVDDEQXTLPMZIY-QWRGUYRKSA-N 1 0 224.308 -0.058 20 30 BBEDRO C[C@@H](C#N)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000571039662 323104450 /nfs/dbraw/zinc/10/44/50/323104450.db2.gz FVDDEQXTLPMZIY-WDEREUQCSA-N 1 0 224.308 -0.058 20 30 BBEDRO C=CCCCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000571269463 323139703 /nfs/dbraw/zinc/13/97/03/323139703.db2.gz DBMAIPMTMGZSDE-UHFFFAOYSA-N 1 0 225.292 -0.453 20 30 BBEDRO N#Cc1ccccc1OCC[NH2+]C(CO)CO ZINC000571460121 323145289 /nfs/dbraw/zinc/14/52/89/323145289.db2.gz LZJKOKQEUQVCJW-UHFFFAOYSA-N 1 0 236.271 -0.120 20 30 BBEDRO N#Cc1c[n-]c(=O)n(CCC2CC[NH2+]CC2)c1=O ZINC000571520823 323146907 /nfs/dbraw/zinc/14/69/07/323146907.db2.gz ONLOJSLSEGBSBK-UHFFFAOYSA-N 1 0 248.286 -0.202 20 30 BBEDRO C[C@H](CCC#N)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000571566306 323148744 /nfs/dbraw/zinc/14/87/44/323148744.db2.gz QKEKOILCBYNBLW-PSASIEDQSA-N 1 0 211.265 -0.399 20 30 BBEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000571566307 323148726 /nfs/dbraw/zinc/14/87/26/323148726.db2.gz QKEKOILCBYNBLW-SCZZXKLOSA-N 1 0 211.265 -0.399 20 30 BBEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000571566308 323148733 /nfs/dbraw/zinc/14/87/33/323148733.db2.gz QKEKOILCBYNBLW-WCBMZHEXSA-N 1 0 211.265 -0.399 20 30 BBEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000571566309 323148794 /nfs/dbraw/zinc/14/87/94/323148794.db2.gz QKEKOILCBYNBLW-WPRPVWTQSA-N 1 0 211.265 -0.399 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2cncc(C#N)n2)C1 ZINC000571792100 386214810 /nfs/dbraw/zinc/21/48/10/386214810.db2.gz JBOYAOIDVGZPBX-LLVKDONJSA-N 1 0 233.275 -0.173 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2cncc(C#N)n2)C1 ZINC000571792103 386214926 /nfs/dbraw/zinc/21/49/26/386214926.db2.gz JBOYAOIDVGZPBX-NSHDSACASA-N 1 0 233.275 -0.173 20 30 BBEDRO C[NH+](C)C[C@](C)(O)CNc1ccc(C#N)c(N)n1 ZINC000571820759 410729029 /nfs/dbraw/zinc/72/90/29/410729029.db2.gz IISFRCJMBFMVRX-GFCCVEGCSA-N 1 0 249.318 0.260 20 30 BBEDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(C#N)c(N)n1 ZINC000571820760 412182533 /nfs/dbraw/zinc/18/25/33/412182533.db2.gz IISFRCJMBFMVRX-LBPRGKRZSA-N 1 0 249.318 0.260 20 30 BBEDRO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1n[nH]cc1C#N ZINC000572032890 411825606 /nfs/dbraw/zinc/82/56/06/411825606.db2.gz CXCKVUKQIFIKKX-NTSWFWBYSA-N 1 0 207.237 0.203 20 30 BBEDRO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1n[nH]cc1C#N ZINC000572032891 411825285 /nfs/dbraw/zinc/82/52/85/411825285.db2.gz CXCKVUKQIFIKKX-PHDIDXHHSA-N 1 0 207.237 0.203 20 30 BBEDRO C[C@@H](C(=O)Nc1n[nH]cc1C#N)[C@H](C)[NH3+] ZINC000572032892 411808036 /nfs/dbraw/zinc/80/80/36/411808036.db2.gz CXCKVUKQIFIKKX-RITPCOANSA-N 1 0 207.237 0.203 20 30 BBEDRO C[C@H]([NH3+])[C@H](C)C(=O)Nc1n[nH]cc1C#N ZINC000572032893 412215981 /nfs/dbraw/zinc/21/59/81/412215981.db2.gz CXCKVUKQIFIKKX-WDSKDSINSA-N 1 0 207.237 0.203 20 30 BBEDRO C=CCNc1ncc(C(=O)NCC[NH3+])s1 ZINC000572240609 412134721 /nfs/dbraw/zinc/13/47/21/412134721.db2.gz RVRGOOATSCYPLO-UHFFFAOYSA-N 1 0 226.305 0.430 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000572482836 324124689 /nfs/dbraw/zinc/12/46/89/324124689.db2.gz CYKDQSSFEPCKCI-NEPJUHHUSA-N 1 0 241.335 -0.281 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000572482837 324124691 /nfs/dbraw/zinc/12/46/91/324124691.db2.gz CYKDQSSFEPCKCI-NWDGAFQWSA-N 1 0 241.335 -0.281 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000572482838 324124684 /nfs/dbraw/zinc/12/46/84/324124684.db2.gz CYKDQSSFEPCKCI-RYUDHWBXSA-N 1 0 241.335 -0.281 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000572482839 324124687 /nfs/dbraw/zinc/12/46/87/324124687.db2.gz CYKDQSSFEPCKCI-VXGBXAGGSA-N 1 0 241.335 -0.281 20 30 BBEDRO Cn1cc(C#N)c(=O)n(CC[C@H]2CC[NH2+]C2)c1=O ZINC000572599140 386288283 /nfs/dbraw/zinc/28/82/83/386288283.db2.gz PJTWUYKQWHWRCF-SECBINFHSA-N 1 0 248.286 -0.582 20 30 BBEDRO Cn1cc(C#N)c(=O)n(CC[C@@H]2CC[NH2+]C2)c1=O ZINC000572599141 386288073 /nfs/dbraw/zinc/28/80/73/386288073.db2.gz PJTWUYKQWHWRCF-VIFPVBQESA-N 1 0 248.286 -0.582 20 30 BBEDRO Cc1ccc(NC[C@H]2C[NH2+]CCN2C)nc1C#N ZINC000572826610 411693423 /nfs/dbraw/zinc/69/34/23/411693423.db2.gz RYTXSDOQBHLACG-LLVKDONJSA-N 1 0 245.330 0.577 20 30 BBEDRO Cc1ccc(NC[C@@H]2C[NH2+]CCN2C)nc1C#N ZINC000572826611 411693749 /nfs/dbraw/zinc/69/37/49/411693749.db2.gz RYTXSDOQBHLACG-NSHDSACASA-N 1 0 245.330 0.577 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000572841292 323141944 /nfs/dbraw/zinc/14/19/44/323141944.db2.gz MVXLCQWVVGFOJF-SECBINFHSA-N 1 0 246.336 -0.630 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000572841293 323141914 /nfs/dbraw/zinc/14/19/14/323141914.db2.gz MVXLCQWVVGFOJF-VIFPVBQESA-N 1 0 246.336 -0.630 20 30 BBEDRO COC[C@@](C)([NH3+])CNc1ncncc1C#N ZINC000572872565 384114780 /nfs/dbraw/zinc/11/47/80/384114780.db2.gz CJKSMMIHWDVXKL-JTQLQIEISA-N 1 0 221.264 -0.454 20 30 BBEDRO COC[C@](C)([NH3+])CNc1ncncc1C#N ZINC000572872566 384114663 /nfs/dbraw/zinc/11/46/63/384114663.db2.gz CJKSMMIHWDVXKL-SNVBAGLBSA-N 1 0 221.264 -0.454 20 30 BBEDRO C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573387237 364821708 /nfs/dbraw/zinc/82/17/08/364821708.db2.gz DKNKZPVTSMLBJF-UWVGGRQHSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CC[C@@H](CC)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573387238 364821477 /nfs/dbraw/zinc/82/14/77/364821477.db2.gz DKNKZPVTSMLBJF-ZJUUUORDSA-N 1 0 239.319 -0.065 20 30 BBEDRO CC[C@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000573490819 364846797 /nfs/dbraw/zinc/84/67/97/364846797.db2.gz PARCFSKFXVBYHQ-QWRGUYRKSA-N 1 0 229.324 -0.447 20 30 BBEDRO CC[C@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000573490820 364845539 /nfs/dbraw/zinc/84/55/39/364845539.db2.gz PARCFSKFXVBYHQ-WDEREUQCSA-N 1 0 229.324 -0.447 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000573547170 364857897 /nfs/dbraw/zinc/85/78/97/364857897.db2.gz FWEUXOBHPUHSGR-DCAQKATOSA-N 1 0 241.335 -0.716 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000573547173 364857833 /nfs/dbraw/zinc/85/78/33/364857833.db2.gz FWEUXOBHPUHSGR-VWYCJHECSA-N 1 0 241.335 -0.716 20 30 BBEDRO C=CCN(C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000573562204 364862001 /nfs/dbraw/zinc/86/20/01/364862001.db2.gz QKLBDNOAFYSKSK-ZETCQYMHSA-N 1 0 200.238 -0.479 20 30 BBEDRO N#Cc1cccc(OCC[NH2+]C(CO)CO)c1 ZINC000573621851 364877281 /nfs/dbraw/zinc/87/72/81/364877281.db2.gz OGHLRDUQOHMFIG-UHFFFAOYSA-N 1 0 236.271 -0.120 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCOC1 ZINC000573678275 364890859 /nfs/dbraw/zinc/89/08/59/364890859.db2.gz UIXVYZLIEJMILI-NEPJUHHUSA-N 1 0 241.335 -0.039 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCOC1 ZINC000573678276 364890999 /nfs/dbraw/zinc/89/09/99/364890999.db2.gz UIXVYZLIEJMILI-VXGBXAGGSA-N 1 0 241.335 -0.039 20 30 BBEDRO C[NH+](C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O ZINC000573742714 364908226 /nfs/dbraw/zinc/90/82/26/364908226.db2.gz XLRYGDPSWBVQQD-IUCAKERBSA-N 1 0 233.275 -0.541 20 30 BBEDRO COCC[N@@H+]1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC000573814692 364923438 /nfs/dbraw/zinc/92/34/38/364923438.db2.gz IAZOTCZAVCBNQO-JTQLQIEISA-N 1 0 247.302 -0.097 20 30 BBEDRO COCC[N@@H+]1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC000573814694 364923249 /nfs/dbraw/zinc/92/32/49/364923249.db2.gz IAZOTCZAVCBNQO-SNVBAGLBSA-N 1 0 247.302 -0.097 20 30 BBEDRO C[NH+](C)CCNc1ccc(C#N)c(N)n1 ZINC000573934162 412162143 /nfs/dbraw/zinc/16/21/43/412162143.db2.gz QLYXJRKSMJIDFX-UHFFFAOYSA-N 1 0 205.265 0.509 20 30 BBEDRO CC[NH+]1CCN(CC(=O)NC[C@H](C)C#N)CC1 ZINC000573976273 364959289 /nfs/dbraw/zinc/95/92/89/364959289.db2.gz KVYDWAKNFMTHHP-LLVKDONJSA-N 1 0 238.335 -0.100 20 30 BBEDRO CC[NH+]1CCN(CC(=O)NC[C@@H](C)C#N)CC1 ZINC000573976276 364959446 /nfs/dbraw/zinc/95/94/46/364959446.db2.gz KVYDWAKNFMTHHP-NSHDSACASA-N 1 0 238.335 -0.100 20 30 BBEDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O ZINC000574052731 364978357 /nfs/dbraw/zinc/97/83/57/364978357.db2.gz HRBRPXJWHKENNH-QWRGUYRKSA-N 1 0 248.286 -0.367 20 30 BBEDRO C[N@@H+]1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 ZINC000574197029 719378797 /nfs/dbraw/zinc/37/87/97/719378797.db2.gz NKQIKQVMOSNRCF-WDEREUQCSA-N 1 0 245.286 -0.133 20 30 BBEDRO C[NH+](C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O ZINC000574226703 365015408 /nfs/dbraw/zinc/01/54/08/365015408.db2.gz QKJHXOMLNPINSF-QWRGUYRKSA-N 1 0 248.286 -0.367 20 30 BBEDRO C[C@H]1[NH2+]CCN(C(=O)Cn2cnc(C#N)n2)[C@H]1C ZINC000574461417 365068230 /nfs/dbraw/zinc/06/82/30/365068230.db2.gz ZWZYPYOHYVBGDC-BDAKNGLRSA-N 1 0 248.290 -0.641 20 30 BBEDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cn1cnc(C#N)n1 ZINC000574461418 365068355 /nfs/dbraw/zinc/06/83/55/365068355.db2.gz ZWZYPYOHYVBGDC-DTWKUNHWSA-N 1 0 248.290 -0.641 20 30 BBEDRO C[C@@H]1[NH2+]CCN(C(=O)Cn2cnc(C#N)n2)[C@H]1C ZINC000574461419 365068080 /nfs/dbraw/zinc/06/80/80/365068080.db2.gz ZWZYPYOHYVBGDC-IUCAKERBSA-N 1 0 248.290 -0.641 20 30 BBEDRO C[C@H]1[NH2+]CCN(C(=O)Cn2cnc(C#N)n2)[C@@H]1C ZINC000574461420 365068275 /nfs/dbraw/zinc/06/82/75/365068275.db2.gz ZWZYPYOHYVBGDC-RKDXNWHRSA-N 1 0 248.290 -0.641 20 30 BBEDRO C[C@H](CCC[NH3+])NS(=O)(=O)N(C)CCC#N ZINC000574518574 365080489 /nfs/dbraw/zinc/08/04/89/365080489.db2.gz NLLPYOOIFMBCII-SECBINFHSA-N 1 0 248.352 -0.206 20 30 BBEDRO C[C@@H](CCC[NH3+])NS(=O)(=O)N(C)CCC#N ZINC000574518575 365080658 /nfs/dbraw/zinc/08/06/58/365080658.db2.gz NLLPYOOIFMBCII-VIFPVBQESA-N 1 0 248.352 -0.206 20 30 BBEDRO C=CCOCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000574529874 365084668 /nfs/dbraw/zinc/08/46/68/365084668.db2.gz LGTWVLJYAXTWGA-JTQLQIEISA-N 1 0 214.265 -0.577 20 30 BBEDRO C=CCOCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000574529875 365085429 /nfs/dbraw/zinc/08/54/29/365085429.db2.gz LGTWVLJYAXTWGA-SNVBAGLBSA-N 1 0 214.265 -0.577 20 30 BBEDRO C[C@@H](CC(=O)NCC#CCO)n1ccnc1 ZINC000574579712 365095195 /nfs/dbraw/zinc/09/51/95/365095195.db2.gz ZYAMUIUBGWVQIN-JTQLQIEISA-N 1 0 221.260 -0.054 20 30 BBEDRO C[C@H](CC(=O)NCC#CCO)n1ccnc1 ZINC000574579713 365094555 /nfs/dbraw/zinc/09/45/55/365094555.db2.gz ZYAMUIUBGWVQIN-SNVBAGLBSA-N 1 0 221.260 -0.054 20 30 BBEDRO CC[C@@H](O)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000574637648 365109352 /nfs/dbraw/zinc/10/93/52/365109352.db2.gz GHRAPSYZEZKDLI-NEPJUHHUSA-N 1 0 243.351 -0.057 20 30 BBEDRO CC[C@H](O)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000574637649 365109539 /nfs/dbraw/zinc/10/95/39/365109539.db2.gz GHRAPSYZEZKDLI-NWDGAFQWSA-N 1 0 243.351 -0.057 20 30 BBEDRO CC[C@H](O)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000574637650 365109320 /nfs/dbraw/zinc/10/93/20/365109320.db2.gz GHRAPSYZEZKDLI-RYUDHWBXSA-N 1 0 243.351 -0.057 20 30 BBEDRO CC[C@@H](O)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000574637651 365108675 /nfs/dbraw/zinc/10/86/75/365108675.db2.gz GHRAPSYZEZKDLI-VXGBXAGGSA-N 1 0 243.351 -0.057 20 30 BBEDRO Cc1cc(NC(=O)CC[NH2+]CC#CCO)no1 ZINC000574638304 412341764 /nfs/dbraw/zinc/34/17/64/412341764.db2.gz OKUCSSSYHDEJEA-UHFFFAOYSA-N 1 0 237.259 -0.103 20 30 BBEDRO C[C@@](O)(C[NH2+]CC#CCO)C(F)(F)F ZINC000574756908 365136412 /nfs/dbraw/zinc/13/64/12/365136412.db2.gz IRTAOUTWUDEZSP-SSDOTTSWSA-N 1 0 211.183 -0.115 20 30 BBEDRO C[C@](O)(C[NH2+]CC#CCO)C(F)(F)F ZINC000574756909 365136542 /nfs/dbraw/zinc/13/65/42/365136542.db2.gz IRTAOUTWUDEZSP-ZETCQYMHSA-N 1 0 211.183 -0.115 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000575006169 361308965 /nfs/dbraw/zinc/30/89/65/361308965.db2.gz OOJODRCQPSQSNZ-GHMZBOCLSA-N 1 0 215.293 -0.136 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000575006170 361309372 /nfs/dbraw/zinc/30/93/72/361309372.db2.gz OOJODRCQPSQSNZ-MNOVXSKESA-N 1 0 215.293 -0.136 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000575006171 361308987 /nfs/dbraw/zinc/30/89/87/361308987.db2.gz OOJODRCQPSQSNZ-QWRGUYRKSA-N 1 0 215.293 -0.136 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000575006172 361309264 /nfs/dbraw/zinc/30/92/64/361309264.db2.gz OOJODRCQPSQSNZ-WDEREUQCSA-N 1 0 215.293 -0.136 20 30 BBEDRO C=CCCS(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000575062970 346483711 /nfs/dbraw/zinc/48/37/11/346483711.db2.gz FSNSDWRXNZOVCK-JTQLQIEISA-N 1 0 247.364 -0.533 20 30 BBEDRO C=CCCS(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000575062971 346483528 /nfs/dbraw/zinc/48/35/28/346483528.db2.gz FSNSDWRXNZOVCK-SNVBAGLBSA-N 1 0 247.364 -0.533 20 30 BBEDRO C[C@H]1CN(c2cc(C#N)ncn2)CCN1CCO ZINC000575073430 365189534 /nfs/dbraw/zinc/18/95/34/365189534.db2.gz YYWSRAXCKRMAQZ-JTQLQIEISA-N 1 0 247.302 -0.149 20 30 BBEDRO C[C@@H]1CN(c2cc(C#N)ncn2)CCN1CCO ZINC000575073431 365189313 /nfs/dbraw/zinc/18/93/13/365189313.db2.gz YYWSRAXCKRMAQZ-SNVBAGLBSA-N 1 0 247.302 -0.149 20 30 BBEDRO C=CCC[C@@H](CO)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000575138929 365219435 /nfs/dbraw/zinc/21/94/35/365219435.db2.gz QHHJDGBWXRYIKC-UWVGGRQHSA-N 1 0 227.308 -0.025 20 30 BBEDRO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000575138930 365219728 /nfs/dbraw/zinc/21/97/28/365219728.db2.gz QHHJDGBWXRYIKC-VHSXEESVSA-N 1 0 227.308 -0.025 20 30 BBEDRO CCOC(=O)CC[C@H](O)C[NH2+]CC#CCO ZINC000575749708 365351870 /nfs/dbraw/zinc/35/18/70/365351870.db2.gz WSRSJBMZKWMNEH-JTQLQIEISA-N 1 0 229.276 -0.724 20 30 BBEDRO CCOC(=O)CC[C@@H](O)C[NH2+]CC#CCO ZINC000575749714 365351864 /nfs/dbraw/zinc/35/18/64/365351864.db2.gz WSRSJBMZKWMNEH-SNVBAGLBSA-N 1 0 229.276 -0.724 20 30 BBEDRO N#C[C@H]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000575861954 365388820 /nfs/dbraw/zinc/38/88/20/365388820.db2.gz OTPIZVXUQSIPCE-JGVFFNPUSA-N 1 0 224.264 -0.147 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000575923911 365416375 /nfs/dbraw/zinc/41/63/75/365416375.db2.gz USCCIHNMDULETN-OCAPTIKFSA-N 1 0 211.265 -0.858 20 30 BBEDRO N#CCCn1ccc(NC(=O)N[C@H]2CC[NH2+]C2)n1 ZINC000575936220 412237227 /nfs/dbraw/zinc/23/72/27/412237227.db2.gz OHEANVDQJPPONO-VIFPVBQESA-N 1 0 248.290 0.280 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)o1 ZINC000576004067 343694419 /nfs/dbraw/zinc/69/44/19/343694419.db2.gz LYOAHSHSDQBHBE-SSDOTTSWSA-N 1 0 241.272 -0.127 20 30 BBEDRO C[C@H](C#N)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000576051325 365466503 /nfs/dbraw/zinc/46/65/03/365466503.db2.gz DSJRRKMGDIHHPB-BDAKNGLRSA-N 1 0 240.307 -0.671 20 30 BBEDRO C[C@@H](NC(=O)[C@@H](C)C#N)C(=O)NCC[NH+](C)C ZINC000576051326 365466369 /nfs/dbraw/zinc/46/63/69/365466369.db2.gz DSJRRKMGDIHHPB-DTWKUNHWSA-N 1 0 240.307 -0.671 20 30 BBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000576051327 365466188 /nfs/dbraw/zinc/46/61/88/365466188.db2.gz DSJRRKMGDIHHPB-IUCAKERBSA-N 1 0 240.307 -0.671 20 30 BBEDRO C[C@H](C#N)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000576051328 365465779 /nfs/dbraw/zinc/46/57/79/365465779.db2.gz DSJRRKMGDIHHPB-RKDXNWHRSA-N 1 0 240.307 -0.671 20 30 BBEDRO C=CCNC(=O)CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000576183087 365513593 /nfs/dbraw/zinc/51/35/93/365513593.db2.gz TWSKDQLOQHCWFY-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCNC(=O)CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000576183088 365513489 /nfs/dbraw/zinc/51/34/89/365513489.db2.gz TWSKDQLOQHCWFY-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000576224518 365527628 /nfs/dbraw/zinc/52/76/28/365527628.db2.gz VHXWRBCMJHRWCQ-SFYZADRCSA-N 1 0 214.265 -0.042 20 30 BBEDRO C=CC[C@H](C)NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000576224519 365527700 /nfs/dbraw/zinc/52/77/00/365527700.db2.gz VHXWRBCMJHRWCQ-YUMQZZPRSA-N 1 0 214.265 -0.042 20 30 BBEDRO C=CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000576393847 365584106 /nfs/dbraw/zinc/58/41/06/365584106.db2.gz IKKABKMAEWVQCL-SECBINFHSA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000576393848 365584255 /nfs/dbraw/zinc/58/42/55/365584255.db2.gz IKKABKMAEWVQCL-VIFPVBQESA-N 1 0 235.291 -0.054 20 30 BBEDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)o1 ZINC000576769527 365682057 /nfs/dbraw/zinc/68/20/57/365682057.db2.gz VFPHUIZSDIVHPJ-ZCFIWIBFSA-N 1 0 229.261 -0.223 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCOC1 ZINC000576817854 365692736 /nfs/dbraw/zinc/69/27/36/365692736.db2.gz UIXVYZLIEJMILI-NWDGAFQWSA-N 1 0 241.335 -0.039 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCOC1 ZINC000576817855 365692644 /nfs/dbraw/zinc/69/26/44/365692644.db2.gz UIXVYZLIEJMILI-RYUDHWBXSA-N 1 0 241.335 -0.039 20 30 BBEDRO C[NH+](C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O ZINC000577106978 365819647 /nfs/dbraw/zinc/81/96/47/365819647.db2.gz QRHKWXIXZWIOHK-IUCAKERBSA-N 1 0 243.332 -0.624 20 30 BBEDRO OCC#CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000577179429 365862234 /nfs/dbraw/zinc/86/22/34/365862234.db2.gz WQIXVLXIFOYGFF-SSDOTTSWSA-N 1 0 211.183 -0.115 20 30 BBEDRO OCC#CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000577179432 365862093 /nfs/dbraw/zinc/86/20/93/365862093.db2.gz WQIXVLXIFOYGFF-ZETCQYMHSA-N 1 0 211.183 -0.115 20 30 BBEDRO C=CCN(CC=C)C(=O)C[NH2+]C(CO)CO ZINC000577408148 365948097 /nfs/dbraw/zinc/94/80/97/365948097.db2.gz JOQOXVSSPVQNBN-UHFFFAOYSA-N 1 0 228.292 -0.870 20 30 BBEDRO N#CCC[C@H](C#N)C[NH2+]CCN1CCNC(=O)C1 ZINC000577485797 365965792 /nfs/dbraw/zinc/96/57/92/365965792.db2.gz DSCFYBZZUSRLCW-LLVKDONJSA-N 1 0 249.318 -0.549 20 30 BBEDRO N#CCC[C@@H](C#N)C[NH2+]CCN1CCNC(=O)C1 ZINC000577485798 365965127 /nfs/dbraw/zinc/96/51/27/365965127.db2.gz DSCFYBZZUSRLCW-NSHDSACASA-N 1 0 249.318 -0.549 20 30 BBEDRO C[C@H](CCO)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000577633596 366027082 /nfs/dbraw/zinc/02/70/82/366027082.db2.gz PZQHBJHOXKNANP-NEPJUHHUSA-N 1 0 243.351 -0.199 20 30 BBEDRO C[C@@H](CCO)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000577633597 366021743 /nfs/dbraw/zinc/02/17/43/366021743.db2.gz PZQHBJHOXKNANP-NWDGAFQWSA-N 1 0 243.351 -0.199 20 30 BBEDRO C[C@@H](CCO)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000577633598 366021700 /nfs/dbraw/zinc/02/17/00/366021700.db2.gz PZQHBJHOXKNANP-RYUDHWBXSA-N 1 0 243.351 -0.199 20 30 BBEDRO C[C@H](CCO)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000577633599 366023235 /nfs/dbraw/zinc/02/32/35/366023235.db2.gz PZQHBJHOXKNANP-VXGBXAGGSA-N 1 0 243.351 -0.199 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2ncncc2C#N)C1 ZINC000577746454 366050562 /nfs/dbraw/zinc/05/05/62/366050562.db2.gz SWZQBBXMJWIRLL-LLVKDONJSA-N 1 0 233.275 -0.751 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2ncncc2C#N)C1 ZINC000577746455 366050341 /nfs/dbraw/zinc/05/03/41/366050341.db2.gz SWZQBBXMJWIRLL-NSHDSACASA-N 1 0 233.275 -0.751 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000577962561 366145617 /nfs/dbraw/zinc/14/56/17/366145617.db2.gz YAOAGMZMMCRNHU-JTQLQIEISA-N 1 0 239.319 -0.253 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000577962562 366145549 /nfs/dbraw/zinc/14/55/49/366145549.db2.gz YAOAGMZMMCRNHU-SNVBAGLBSA-N 1 0 239.319 -0.253 20 30 BBEDRO CC(C)OCC[C@@H](O)C[NH2+]CC#CCO ZINC000578070013 366218199 /nfs/dbraw/zinc/21/81/99/366218199.db2.gz CKINKTQIISJIGX-LLVKDONJSA-N 1 0 215.293 -0.252 20 30 BBEDRO CC(C)OCC[C@H](O)C[NH2+]CC#CCO ZINC000578070014 366217840 /nfs/dbraw/zinc/21/78/40/366217840.db2.gz CKINKTQIISJIGX-NSHDSACASA-N 1 0 215.293 -0.252 20 30 BBEDRO C=CCOCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578131667 366293068 /nfs/dbraw/zinc/29/30/68/366293068.db2.gz NUERDVPNCDABSK-JTQLQIEISA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578131668 366292391 /nfs/dbraw/zinc/29/23/91/366292391.db2.gz NUERDVPNCDABSK-SNVBAGLBSA-N 1 0 228.292 -0.316 20 30 BBEDRO CCS(=O)(=O)N1CC(C[NH2+]CCC#N)C1 ZINC000578232829 366463372 /nfs/dbraw/zinc/46/33/72/366463372.db2.gz KHNKKQMJVMWAKZ-UHFFFAOYSA-N 1 0 231.321 -0.229 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NCC#CCO)C1 ZINC000578246891 366470777 /nfs/dbraw/zinc/47/07/77/366470777.db2.gz FLTBINRALZBSDG-JTQLQIEISA-N 1 0 210.277 -0.560 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCC#CCO)C1 ZINC000578246892 366469486 /nfs/dbraw/zinc/46/94/86/366469486.db2.gz FLTBINRALZBSDG-SNVBAGLBSA-N 1 0 210.277 -0.560 20 30 BBEDRO COC(=O)c1cc(C#N)c(=O)n(CCC[NH3+])c1 ZINC000578354083 366535922 /nfs/dbraw/zinc/53/59/22/366535922.db2.gz KMZKUGXVDXVRGP-UHFFFAOYSA-N 1 0 235.243 -0.145 20 30 BBEDRO Cn1cc(C#N)c(=O)n(CC2CC[NH2+]CC2)c1=O ZINC000578354104 366535401 /nfs/dbraw/zinc/53/54/01/366535401.db2.gz LWZJLQAFQLIEJO-UHFFFAOYSA-N 1 0 248.286 -0.582 20 30 BBEDRO C=CCOCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000578356095 366537180 /nfs/dbraw/zinc/53/71/80/366537180.db2.gz XDDWLRSYEVLIPA-SNVBAGLBSA-N 1 0 227.308 -0.710 20 30 BBEDRO C[C@H](C#N)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000578377656 366544528 /nfs/dbraw/zinc/54/45/28/366544528.db2.gz VNNSMBHTJQXHME-BXKDBHETSA-N 1 0 237.303 -0.281 20 30 BBEDRO C[C@@H](C#N)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000578377657 366545058 /nfs/dbraw/zinc/54/50/58/366545058.db2.gz VNNSMBHTJQXHME-CABZTGNLSA-N 1 0 237.303 -0.281 20 30 BBEDRO C[C@@H](C#N)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000578377658 366544744 /nfs/dbraw/zinc/54/47/44/366544744.db2.gz VNNSMBHTJQXHME-JOYOIKCWSA-N 1 0 237.303 -0.281 20 30 BBEDRO C[C@H](C#N)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000578377659 366545027 /nfs/dbraw/zinc/54/50/27/366545027.db2.gz VNNSMBHTJQXHME-SKDRFNHKSA-N 1 0 237.303 -0.281 20 30 BBEDRO CN(C(=O)Cn1cnc(C#N)n1)C1CC([NH3+])C1 ZINC000578638078 366615317 /nfs/dbraw/zinc/61/53/17/366615317.db2.gz RGAUXCPOEQHJKT-UHFFFAOYSA-N 1 0 234.263 -0.902 20 30 BBEDRO C=CCCCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578747201 366637921 /nfs/dbraw/zinc/63/79/21/366637921.db2.gz MRCYIUZPYWVTRR-UHFFFAOYSA-N 1 0 239.319 -0.109 20 30 BBEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000579099317 366708810 /nfs/dbraw/zinc/70/88/10/366708810.db2.gz XWOMBJLAYWHRRB-SECBINFHSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CCCC[C@H](C)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000579099318 366708742 /nfs/dbraw/zinc/70/87/42/366708742.db2.gz XWOMBJLAYWHRRB-VIFPVBQESA-N 1 0 239.319 -0.065 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC000579223350 366736904 /nfs/dbraw/zinc/73/69/04/366736904.db2.gz YVZINDJUHOXUGE-NNYUYHANSA-N 1 0 239.319 -0.573 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC000579223351 366737062 /nfs/dbraw/zinc/73/70/62/366737062.db2.gz YVZINDJUHOXUGE-WYUUTHIRSA-N 1 0 239.319 -0.573 20 30 BBEDRO C[C@@](O)(C[NH2+]CC(=O)NCC#N)C(F)(F)F ZINC000579346051 366764255 /nfs/dbraw/zinc/76/42/55/366764255.db2.gz YHTIPFSDZYLTAK-SSDOTTSWSA-N 1 0 239.197 -0.471 20 30 BBEDRO C[C@](O)(C[NH2+]CC(=O)NCC#N)C(F)(F)F ZINC000579346055 366764701 /nfs/dbraw/zinc/76/47/01/366764701.db2.gz YHTIPFSDZYLTAK-ZETCQYMHSA-N 1 0 239.197 -0.471 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000579463701 366814090 /nfs/dbraw/zinc/81/40/90/366814090.db2.gz GRYBCLVPGCMUOV-IUCAKERBSA-N 1 0 241.291 -0.248 20 30 BBEDRO CCC[C@@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000579474878 366822706 /nfs/dbraw/zinc/82/27/06/366822706.db2.gz UAHBZJUHBYDLLP-NEPJUHHUSA-N 1 0 243.351 -0.057 20 30 BBEDRO CCC[C@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000579474879 366822649 /nfs/dbraw/zinc/82/26/49/366822649.db2.gz UAHBZJUHBYDLLP-NWDGAFQWSA-N 1 0 243.351 -0.057 20 30 BBEDRO CCC[C@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000579474880 366822549 /nfs/dbraw/zinc/82/25/49/366822549.db2.gz UAHBZJUHBYDLLP-RYUDHWBXSA-N 1 0 243.351 -0.057 20 30 BBEDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000579474881 366822224 /nfs/dbraw/zinc/82/22/24/366822224.db2.gz UAHBZJUHBYDLLP-VXGBXAGGSA-N 1 0 243.351 -0.057 20 30 BBEDRO C[C@H](C#N)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000579583053 345078699 /nfs/dbraw/zinc/07/86/99/345078699.db2.gz AHJYTXYMCLLIHB-GHMZBOCLSA-N 1 0 227.308 -0.571 20 30 BBEDRO C[C@H](C#N)C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000579583054 345078735 /nfs/dbraw/zinc/07/87/35/345078735.db2.gz AHJYTXYMCLLIHB-MNOVXSKESA-N 1 0 227.308 -0.571 20 30 BBEDRO C[C@@H](C#N)C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000579583055 345078559 /nfs/dbraw/zinc/07/85/59/345078559.db2.gz AHJYTXYMCLLIHB-QWRGUYRKSA-N 1 0 227.308 -0.571 20 30 BBEDRO C[C@@H](C#N)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000579583056 345078687 /nfs/dbraw/zinc/07/86/87/345078687.db2.gz AHJYTXYMCLLIHB-WDEREUQCSA-N 1 0 227.308 -0.571 20 30 BBEDRO CCOCCOC[C@@H](O)C[NH2+]CCC#N ZINC000579584021 366889600 /nfs/dbraw/zinc/88/96/00/366889600.db2.gz YJGSJYKPHNNJLI-JTQLQIEISA-N 1 0 216.281 -0.096 20 30 BBEDRO CCOCCOC[C@H](O)C[NH2+]CCC#N ZINC000579584022 366889474 /nfs/dbraw/zinc/88/94/74/366889474.db2.gz YJGSJYKPHNNJLI-SNVBAGLBSA-N 1 0 216.281 -0.096 20 30 BBEDRO N#Cc1nccc(N2CC[NH+](CCCO)CC2)n1 ZINC000579613417 366908343 /nfs/dbraw/zinc/90/83/43/366908343.db2.gz OSTYVLOQLMWKSP-UHFFFAOYSA-N 1 0 247.302 -0.147 20 30 BBEDRO C=C(C)CN(CC)C(=O)C[NH2+]C(CO)CO ZINC000579728636 366995337 /nfs/dbraw/zinc/99/53/37/366995337.db2.gz MPMQTGVMVLJRJI-UHFFFAOYSA-N 1 0 230.308 -0.646 20 30 BBEDRO C=CCNC(=O)CNC(=O)CC1(C[NH3+])CC1 ZINC000579953828 367100823 /nfs/dbraw/zinc/10/08/23/367100823.db2.gz NEYVUAJJDLYNCZ-UHFFFAOYSA-N 1 0 225.292 -0.466 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000580070429 346507460 /nfs/dbraw/zinc/50/74/60/346507460.db2.gz IFCVXUMNTKAQJX-ZJUUUORDSA-N 1 0 223.276 -0.263 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COC ZINC000580185341 346629678 /nfs/dbraw/zinc/62/96/78/346629678.db2.gz GOQRZEBPEMOHLR-BBBLOLIVSA-N 1 0 201.266 -0.073 20 30 BBEDRO CC[C@@H]([NH3+])CNS(=O)(=O)N(C)CCC#N ZINC000580191746 346645952 /nfs/dbraw/zinc/64/59/52/346645952.db2.gz XEPRYQVWAIISCI-MRVPVSSYSA-N 1 0 234.325 -0.596 20 30 BBEDRO CC[C@H]([NH3+])CNS(=O)(=O)N(C)CCC#N ZINC000580191747 346645979 /nfs/dbraw/zinc/64/59/79/346645979.db2.gz XEPRYQVWAIISCI-QMMMGPOBSA-N 1 0 234.325 -0.596 20 30 BBEDRO C=CCOCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000580210165 346677504 /nfs/dbraw/zinc/67/75/04/346677504.db2.gz MUZOHSBLUMJLKJ-UWVGGRQHSA-N 1 0 228.292 -0.678 20 30 BBEDRO C=CCCOCC[NH2+]CCC(=O)NC(N)=O ZINC000580304741 346878668 /nfs/dbraw/zinc/87/86/68/346878668.db2.gz WDNXSGIEJRWDFZ-UHFFFAOYSA-N 1 0 229.280 -0.246 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000580325993 347130008 /nfs/dbraw/zinc/13/00/08/347130008.db2.gz AHBVUHHJXNJFIJ-JBLDHEPKSA-N 1 0 242.319 -0.553 20 30 BBEDRO C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000580325997 347129994 /nfs/dbraw/zinc/12/99/94/347129994.db2.gz AHBVUHHJXNJFIJ-NHCYSSNCSA-N 1 0 242.319 -0.553 20 30 BBEDRO CN(C)c1cc[nH+]cc1C(=O)NCC#CCO ZINC000580498409 359751487 /nfs/dbraw/zinc/75/14/87/359751487.db2.gz NECJVTWECJJGCG-UHFFFAOYSA-N 1 0 233.271 -0.127 20 30 BBEDRO N#C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000580582859 365793623 /nfs/dbraw/zinc/79/36/23/365793623.db2.gz RGEBIKOVGWAMLN-DTWKUNHWSA-N 1 0 224.264 -0.718 20 30 BBEDRO N#C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000580582863 365793518 /nfs/dbraw/zinc/79/35/18/365793518.db2.gz RGEBIKOVGWAMLN-IUCAKERBSA-N 1 0 224.264 -0.718 20 30 BBEDRO CN(CC[NH3+])S(=O)(=O)c1ccc(C#N)o1 ZINC000580583271 365793443 /nfs/dbraw/zinc/79/34/43/365793443.db2.gz SYBYGKPUQMZWSZ-UHFFFAOYSA-N 1 0 229.261 -0.270 20 30 BBEDRO C[NH+](C)[C@H]1CN(Cc2ncc(C#N)cn2)C[C@@H]1O ZINC000580782396 367164771 /nfs/dbraw/zinc/16/47/71/367164771.db2.gz FUNKTOKPHRVQER-QWRGUYRKSA-N 1 0 247.302 -0.545 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1O ZINC000580893684 367200586 /nfs/dbraw/zinc/20/05/86/367200586.db2.gz ZXUHDAIHBDHLDJ-IJLUTSLNSA-N 1 0 241.335 -0.304 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1O ZINC000580893685 367200072 /nfs/dbraw/zinc/20/00/72/367200072.db2.gz ZXUHDAIHBDHLDJ-QJPTWQEYSA-N 1 0 241.335 -0.304 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)o1 ZINC000580902188 385501659 /nfs/dbraw/zinc/50/16/59/385501659.db2.gz DKALAVOQZNUYBC-ZETCQYMHSA-N 1 0 241.272 -0.209 20 30 BBEDRO CN(C(=O)[C@@H]([NH3+])CCCC#N)C1CC(O)C1 ZINC000580951124 367214219 /nfs/dbraw/zinc/21/42/19/367214219.db2.gz VKLAWIZOJYIPSA-RTBKNWGFSA-N 1 0 225.292 -0.011 20 30 BBEDRO CN(C(=O)[C@H]([NH3+])CCCC#N)C1CC(O)C1 ZINC000580951125 367214479 /nfs/dbraw/zinc/21/44/79/367214479.db2.gz VKLAWIZOJYIPSA-UDNWOFFPSA-N 1 0 225.292 -0.011 20 30 BBEDRO C=CCOCCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000580960517 367218614 /nfs/dbraw/zinc/21/86/14/367218614.db2.gz PJHBWQACAUQUIQ-QWRGUYRKSA-N 1 0 214.309 -0.204 20 30 BBEDRO CN(C(=O)Cn1cnc(C#N)n1)[C@H](C[NH3+])C1CC1 ZINC000581198570 367292460 /nfs/dbraw/zinc/29/24/60/367292460.db2.gz RLRDVLZNFTUHKG-SECBINFHSA-N 1 0 248.290 -0.655 20 30 BBEDRO CN(C(=O)Cn1cnc(C#N)n1)[C@@H](C[NH3+])C1CC1 ZINC000581198572 367292397 /nfs/dbraw/zinc/29/23/97/367292397.db2.gz RLRDVLZNFTUHKG-VIFPVBQESA-N 1 0 248.290 -0.655 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000581202899 367294392 /nfs/dbraw/zinc/29/43/92/367294392.db2.gz YCCIAYGBSRSBCP-QMMMGPOBSA-N 1 0 211.265 -0.891 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000581487202 367517354 /nfs/dbraw/zinc/51/73/54/367517354.db2.gz YZPYLXFDHBRVIT-RKDXNWHRSA-N 1 0 214.265 -0.708 20 30 BBEDRO C[N@H+](C[C@@H](O)CN1CC(O)(CC#N)C1)C1CC1 ZINC000581542817 367568076 /nfs/dbraw/zinc/56/80/76/367568076.db2.gz WQTICHZCLCHKID-LLVKDONJSA-N 1 0 239.319 -0.598 20 30 BBEDRO C[N@H+](C[C@H](O)CN1CC(O)(CC#N)C1)C1CC1 ZINC000581542818 367568837 /nfs/dbraw/zinc/56/88/37/367568837.db2.gz WQTICHZCLCHKID-NSHDSACASA-N 1 0 239.319 -0.598 20 30 BBEDRO C[N@@H+]1CCN(CC(=O)NCC#N)CC1(C)C ZINC000582011145 368152622 /nfs/dbraw/zinc/15/26/22/368152622.db2.gz QVZMNYREENADBU-UHFFFAOYSA-N 1 0 224.308 -0.348 20 30 BBEDRO O=C(NCC#CCO)C12CCC[NH+]1CCC2 ZINC000582013003 368152256 /nfs/dbraw/zinc/15/22/56/368152256.db2.gz XQKIIUYDHLNIAJ-UHFFFAOYSA-N 1 0 222.288 -0.273 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2cc(C#N)ncn2)C1 ZINC000582218826 412256701 /nfs/dbraw/zinc/25/67/01/412256701.db2.gz GLRRDKDHFDKAPK-LLVKDONJSA-N 1 0 233.275 -0.173 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2cc(C#N)ncn2)C1 ZINC000582218827 412258296 /nfs/dbraw/zinc/25/82/96/412258296.db2.gz GLRRDKDHFDKAPK-NSHDSACASA-N 1 0 233.275 -0.173 20 30 BBEDRO COC(=O)c1cc(C#N)c(=O)n(CC[NH3+])c1 ZINC000582484807 357317664 /nfs/dbraw/zinc/31/76/64/357317664.db2.gz NYNOKZCOZPJTMB-UHFFFAOYSA-N 1 0 221.216 -0.535 20 30 BBEDRO C[C@@]1(CO)CCC[N@@H+]1CC(=O)NCC#N ZINC000582635374 357355776 /nfs/dbraw/zinc/35/57/76/357355776.db2.gz YNAHXLPPHDYXMD-JTQLQIEISA-N 1 0 211.265 -0.527 20 30 BBEDRO C[C@]1(CO)CCC[N@@H+]1CC(=O)NCC#N ZINC000582635377 357355647 /nfs/dbraw/zinc/35/56/47/357355647.db2.gz YNAHXLPPHDYXMD-SNVBAGLBSA-N 1 0 211.265 -0.527 20 30 BBEDRO CCOCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000582780567 357390664 /nfs/dbraw/zinc/39/06/64/357390664.db2.gz WLHIEZKMGSGFII-LLVKDONJSA-N 1 0 229.324 -0.181 20 30 BBEDRO CCOCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000582780568 357390732 /nfs/dbraw/zinc/39/07/32/357390732.db2.gz WLHIEZKMGSGFII-NSHDSACASA-N 1 0 229.324 -0.181 20 30 BBEDRO CCC[NH2+]CCNC(=O)Cn1cnc(C#N)n1 ZINC000582853136 357418966 /nfs/dbraw/zinc/41/89/66/357418966.db2.gz IORUDXXPLLIUAX-UHFFFAOYSA-N 1 0 236.279 -0.734 20 30 BBEDRO N#Cc1nccc(NCC[N@@H+]2CCCOCC2)n1 ZINC000582935137 357433261 /nfs/dbraw/zinc/43/32/61/357433261.db2.gz AHSCGZPUPALAJX-UHFFFAOYSA-N 1 0 247.302 -0.096 20 30 BBEDRO CN(C(=O)Cn1cnc(C#N)n1)C1(C[NH3+])CCC1 ZINC000583150919 357495099 /nfs/dbraw/zinc/49/50/99/357495099.db2.gz UHCXVIROERYWRQ-UHFFFAOYSA-N 1 0 248.290 -0.510 20 30 BBEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583241698 357694115 /nfs/dbraw/zinc/69/41/15/357694115.db2.gz QKZQDUBUEPBLJE-SRVKXCTJSA-N 1 0 228.336 -0.080 20 30 BBEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583241699 357694044 /nfs/dbraw/zinc/69/40/44/357694044.db2.gz QKZQDUBUEPBLJE-WOPDTQHZSA-N 1 0 228.336 -0.080 20 30 BBEDRO N#Cc1nccc(NCC[NH+]2CCC2)n1 ZINC000583451173 344998327 /nfs/dbraw/zinc/99/83/27/344998327.db2.gz MYWTZPDFTZISAP-UHFFFAOYSA-N 1 0 203.249 -0.112 20 30 BBEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000583508595 355346242 /nfs/dbraw/zinc/34/62/42/355346242.db2.gz OVYJNEVNLXTHJT-NEPJUHHUSA-N 1 0 241.335 -0.039 20 30 BBEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000583508596 355346136 /nfs/dbraw/zinc/34/61/36/355346136.db2.gz OVYJNEVNLXTHJT-NWDGAFQWSA-N 1 0 241.335 -0.039 20 30 BBEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000583508597 355345781 /nfs/dbraw/zinc/34/57/81/355345781.db2.gz OVYJNEVNLXTHJT-RYUDHWBXSA-N 1 0 241.335 -0.039 20 30 BBEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000583508598 355346017 /nfs/dbraw/zinc/34/60/17/355346017.db2.gz OVYJNEVNLXTHJT-VXGBXAGGSA-N 1 0 241.335 -0.039 20 30 BBEDRO C=CCCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000583511421 398293332 /nfs/dbraw/zinc/29/33/32/398293332.db2.gz CUCJXNXNNAMMBY-UHFFFAOYSA-N 1 0 227.308 -0.124 20 30 BBEDRO CC(C)[C@H](C(=O)NCC#CCO)[NH+](C)C ZINC000583858347 358004079 /nfs/dbraw/zinc/00/40/79/358004079.db2.gz DKPZXBRSXBFYIU-SNVBAGLBSA-N 1 0 212.293 -0.316 20 30 BBEDRO COC(=O)c1cc(C#N)c(=O)n(C[C@@H](C)[NH3+])c1 ZINC000583870121 358062576 /nfs/dbraw/zinc/06/25/76/358062576.db2.gz YVYTZNRLUTYIGS-SSDOTTSWSA-N 1 0 235.243 -0.146 20 30 BBEDRO COC(=O)c1cc(C#N)c(=O)n(C[C@H](C)[NH3+])c1 ZINC000583870122 358061983 /nfs/dbraw/zinc/06/19/83/358061983.db2.gz YVYTZNRLUTYIGS-ZETCQYMHSA-N 1 0 235.243 -0.146 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCC(=O)NCC#N)C1 ZINC000583882156 358117384 /nfs/dbraw/zinc/11/73/84/358117384.db2.gz WUFJPQQEIKNUAU-SECBINFHSA-N 1 0 238.291 -0.916 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NCC(=O)NCC#N)C1 ZINC000583882157 358117135 /nfs/dbraw/zinc/11/71/35/358117135.db2.gz WUFJPQQEIKNUAU-VIFPVBQESA-N 1 0 238.291 -0.916 20 30 BBEDRO C[C@H](C#N)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000584048428 343306583 /nfs/dbraw/zinc/30/65/83/343306583.db2.gz PPDJZSSVUATFIE-NXEZZACHSA-N 1 0 208.265 -0.007 20 30 BBEDRO C[C@@H](C#N)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000584048429 343306529 /nfs/dbraw/zinc/30/65/29/343306529.db2.gz PPDJZSSVUATFIE-UWVGGRQHSA-N 1 0 208.265 -0.007 20 30 BBEDRO C[C@@H](C#N)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000584048430 343306378 /nfs/dbraw/zinc/30/63/78/343306378.db2.gz PPDJZSSVUATFIE-VHSXEESVSA-N 1 0 208.265 -0.007 20 30 BBEDRO C[C@H](C#N)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000584048431 343306576 /nfs/dbraw/zinc/30/65/76/343306576.db2.gz PPDJZSSVUATFIE-ZJUUUORDSA-N 1 0 208.265 -0.007 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1C[C@@H](O)C1 ZINC000584053176 343308829 /nfs/dbraw/zinc/30/88/29/343308829.db2.gz BELPNDGRPRBDPO-AXFHLTTASA-N 1 0 227.308 -0.694 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1 ZINC000584053177 343308760 /nfs/dbraw/zinc/30/87/60/343308760.db2.gz BELPNDGRPRBDPO-OUAUKWLOSA-N 1 0 227.308 -0.694 20 30 BBEDRO CC[N@H+](C)C[C@H](O)CN1CC(O)(CC#N)C1 ZINC000584182431 343770992 /nfs/dbraw/zinc/77/09/92/343770992.db2.gz AOKUYDBSUYVNMO-JTQLQIEISA-N 1 0 227.308 -0.741 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)CN1CC(O)(CC#N)C1 ZINC000584182432 343770986 /nfs/dbraw/zinc/77/09/86/343770986.db2.gz AOKUYDBSUYVNMO-SNVBAGLBSA-N 1 0 227.308 -0.741 20 30 BBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000584230334 343776150 /nfs/dbraw/zinc/77/61/50/343776150.db2.gz YRFULGLDTGYHEO-IVZWLZJFSA-N 1 0 228.292 -0.320 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000584230335 343776066 /nfs/dbraw/zinc/77/60/66/343776066.db2.gz YRFULGLDTGYHEO-OPRDCNLKSA-N 1 0 228.292 -0.320 20 30 BBEDRO COCC[N@H+](C)C[C@@H](O)CN(CC#N)C1CC1 ZINC000584270289 344372789 /nfs/dbraw/zinc/37/27/89/344372789.db2.gz GDXRKKICWFIFBU-GFCCVEGCSA-N 1 0 241.335 -0.087 20 30 BBEDRO COCC[N@H+](C)C[C@H](O)CN(CC#N)C1CC1 ZINC000584270290 344372884 /nfs/dbraw/zinc/37/28/84/344372884.db2.gz GDXRKKICWFIFBU-LBPRGKRZSA-N 1 0 241.335 -0.087 20 30 BBEDRO C=CCNC(=O)CN(C)CCNC(C)=O ZINC000584289947 344425103 /nfs/dbraw/zinc/42/51/03/344425103.db2.gz SCIHXZWEEHFPQL-UHFFFAOYSA-N 1 0 213.281 -0.644 20 30 BBEDRO CC(C)COC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC000584346979 355424911 /nfs/dbraw/zinc/42/49/11/355424911.db2.gz QYCQJNQIHSMKLR-JTQLQIEISA-N 1 0 243.307 -0.751 20 30 BBEDRO CC(C)COC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC000584346980 355425360 /nfs/dbraw/zinc/42/53/60/355425360.db2.gz QYCQJNQIHSMKLR-SNVBAGLBSA-N 1 0 243.307 -0.751 20 30 BBEDRO CCOC(=O)c1cnn(CC[NH3+])c1C#N ZINC000584408865 357914014 /nfs/dbraw/zinc/91/40/14/357914014.db2.gz JZLYCVPRGHUKIH-UHFFFAOYSA-N 1 0 208.221 -0.110 20 30 BBEDRO COCCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000584525032 358039190 /nfs/dbraw/zinc/03/91/90/358039190.db2.gz RPKWCXOSXQWLMW-LLVKDONJSA-N 1 0 229.324 -0.181 20 30 BBEDRO COCCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000584525033 358038977 /nfs/dbraw/zinc/03/89/77/358038977.db2.gz RPKWCXOSXQWLMW-NSHDSACASA-N 1 0 229.324 -0.181 20 30 BBEDRO C=CCOCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000584585210 358099889 /nfs/dbraw/zinc/09/98/89/358099889.db2.gz DPPYJZANASATRN-JTQLQIEISA-N 1 0 227.308 -0.791 20 30 BBEDRO C=CCOCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000584585211 358099846 /nfs/dbraw/zinc/09/98/46/358099846.db2.gz DPPYJZANASATRN-SNVBAGLBSA-N 1 0 227.308 -0.791 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COCCOC ZINC000584586360 358102673 /nfs/dbraw/zinc/10/26/73/358102673.db2.gz VADBQTNSMVWFDN-TUAOUCFPSA-N 1 0 245.319 -0.057 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COCCOC ZINC000584586361 358102675 /nfs/dbraw/zinc/10/26/75/358102675.db2.gz VADBQTNSMVWFDN-UTUOFQBUSA-N 1 0 245.319 -0.057 20 30 BBEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584622939 487993752 /nfs/dbraw/zinc/99/37/52/487993752.db2.gz UCVJIDVBNMDHDJ-HLTSFMKQSA-N 1 0 221.260 -0.117 20 30 BBEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584622940 487994066 /nfs/dbraw/zinc/99/40/66/487994066.db2.gz UCVJIDVBNMDHDJ-XHNCKOQMSA-N 1 0 221.260 -0.117 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)CN1CCOC[C@H]1C#N ZINC000584663272 358122774 /nfs/dbraw/zinc/12/27/74/358122774.db2.gz XKMWJSQHSMPHDA-GHMZBOCLSA-N 1 0 227.308 -0.477 20 30 BBEDRO CC[N@H+](C)C[C@H](O)CN1CCOC[C@H]1C#N ZINC000584663273 358122243 /nfs/dbraw/zinc/12/22/43/358122243.db2.gz XKMWJSQHSMPHDA-MNOVXSKESA-N 1 0 227.308 -0.477 20 30 BBEDRO CC[N@H+](C)C[C@H](O)CN1CCOC[C@@H]1C#N ZINC000584663274 358122363 /nfs/dbraw/zinc/12/23/63/358122363.db2.gz XKMWJSQHSMPHDA-QWRGUYRKSA-N 1 0 227.308 -0.477 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)CN1CCOC[C@@H]1C#N ZINC000584663275 358122488 /nfs/dbraw/zinc/12/24/88/358122488.db2.gz XKMWJSQHSMPHDA-WDEREUQCSA-N 1 0 227.308 -0.477 20 30 BBEDRO C=C(C)COCC[NH2+]CCC(=O)NC(N)=O ZINC000584716300 358159593 /nfs/dbraw/zinc/15/95/93/358159593.db2.gz INPBGOBNQMJREP-UHFFFAOYSA-N 1 0 229.280 -0.246 20 30 BBEDRO C[C@H]([NH2+]C1CC1)C(=O)Nc1n[nH]cc1C#N ZINC000584836386 412237780 /nfs/dbraw/zinc/23/77/80/412237780.db2.gz GRJYDTYZXRDGLM-LURJTMIESA-N 1 0 219.248 0.360 20 30 BBEDRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1n[nH]cc1C#N ZINC000584836392 411830099 /nfs/dbraw/zinc/83/00/99/411830099.db2.gz GRJYDTYZXRDGLM-ZCFIWIBFSA-N 1 0 219.248 0.360 20 30 BBEDRO C=CCOCC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000584838335 358197739 /nfs/dbraw/zinc/19/77/39/358197739.db2.gz MJMJSGAEHATUCO-JTQLQIEISA-N 1 0 228.292 -0.235 20 30 BBEDRO C=CCOCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000584838336 358198138 /nfs/dbraw/zinc/19/81/38/358198138.db2.gz MJMJSGAEHATUCO-SNVBAGLBSA-N 1 0 228.292 -0.235 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)NCCC[NH3+])o1 ZINC000584849054 358208765 /nfs/dbraw/zinc/20/87/65/358208765.db2.gz FXLOBUCGRHOJHI-UHFFFAOYSA-N 1 0 229.261 -0.222 20 30 BBEDRO CN1CCCC[C@@H]1C(=O)NCC(=O)NCC#N ZINC000588077240 346629927 /nfs/dbraw/zinc/62/99/27/346629927.db2.gz JWJHRGWBAINZGJ-SECBINFHSA-N 1 0 238.291 -0.773 20 30 BBEDRO CN1CCCC[C@H]1C(=O)NCC(=O)NCC#N ZINC000588077241 346629834 /nfs/dbraw/zinc/62/98/34/346629834.db2.gz JWJHRGWBAINZGJ-VIFPVBQESA-N 1 0 238.291 -0.773 20 30 BBEDRO Cc1[nH]nc(NC(=O)[C@@H]2CC[N@@H+](C)C2)c1C#N ZINC000588716242 412282305 /nfs/dbraw/zinc/28/23/05/412282305.db2.gz ZEWNHWJLVJEQCQ-MRVPVSSYSA-N 1 0 233.275 0.480 20 30 BBEDRO Cc1[nH]nc(NC(=O)[C@H]2CC[N@@H+](C)C2)c1C#N ZINC000588716250 412282196 /nfs/dbraw/zinc/28/21/96/412282196.db2.gz ZEWNHWJLVJEQCQ-QMMMGPOBSA-N 1 0 233.275 0.480 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)C(C)(C)C#N ZINC000588864356 344195881 /nfs/dbraw/zinc/19/58/81/344195881.db2.gz FUOJRUFJRCLGAZ-MRVPVSSYSA-N 1 0 213.281 -0.425 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)C#N ZINC000588864363 344196161 /nfs/dbraw/zinc/19/61/61/344196161.db2.gz FUOJRUFJRCLGAZ-QMMMGPOBSA-N 1 0 213.281 -0.425 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1c[nH]c(C#N)c1 ZINC000588865125 344196032 /nfs/dbraw/zinc/19/60/32/344196032.db2.gz TXUDWWZFQSDECE-JTQLQIEISA-N 1 0 236.275 -0.461 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1c[nH]c(C#N)c1 ZINC000588865126 344195901 /nfs/dbraw/zinc/19/59/01/344195901.db2.gz TXUDWWZFQSDECE-SNVBAGLBSA-N 1 0 236.275 -0.461 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)C1(C#N)CCC1 ZINC000588865149 344196145 /nfs/dbraw/zinc/19/61/45/344196145.db2.gz VKFVSHQMDIZMJE-SECBINFHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)C1(C#N)CCC1 ZINC000588865150 344196069 /nfs/dbraw/zinc/19/60/69/344196069.db2.gz VKFVSHQMDIZMJE-VIFPVBQESA-N 1 0 225.292 -0.281 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)CSCC#N ZINC000588865176 344195884 /nfs/dbraw/zinc/19/58/84/344195884.db2.gz XVQLDDQWKJTOND-MRVPVSSYSA-N 1 0 231.321 -0.718 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)CSCC#N ZINC000588865177 344196053 /nfs/dbraw/zinc/19/60/53/344196053.db2.gz XVQLDDQWKJTOND-QMMMGPOBSA-N 1 0 231.321 -0.718 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(C#N)c[nH]1 ZINC000588866158 344196577 /nfs/dbraw/zinc/19/65/77/344196577.db2.gz FHPPMGDVQRNXDE-SECBINFHSA-N 1 0 236.275 -0.461 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(C#N)c[nH]1 ZINC000588866159 344196572 /nfs/dbraw/zinc/19/65/72/344196572.db2.gz FHPPMGDVQRNXDE-VIFPVBQESA-N 1 0 236.275 -0.461 20 30 BBEDRO Cn1nnnc1CC[NH2+]Cc1nc(C#N)cs1 ZINC000589316778 346689920 /nfs/dbraw/zinc/68/99/20/346689920.db2.gz GPCHUIXEJSDRPY-UHFFFAOYSA-N 1 0 249.303 -0.129 20 30 BBEDRO N#CCCOCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000590162488 346785174 /nfs/dbraw/zinc/78/51/74/346785174.db2.gz RAOWAXCFKJMSOL-AOOOYVTPSA-N 1 0 214.265 -0.656 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CC2(C#N)CC2)C1 ZINC000590327414 346994224 /nfs/dbraw/zinc/99/42/24/346994224.db2.gz XNSBJCVCQUOVQO-GFCCVEGCSA-N 1 0 237.303 -0.137 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)CC2(C#N)CC2)C1 ZINC000590327415 346994147 /nfs/dbraw/zinc/99/41/47/346994147.db2.gz XNSBJCVCQUOVQO-LBPRGKRZSA-N 1 0 237.303 -0.137 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(C#N)cn1 ZINC000590369838 347034496 /nfs/dbraw/zinc/03/44/96/347034496.db2.gz PTPLMQXCMGIOBK-JTQLQIEISA-N 1 0 248.286 -0.394 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(C#N)cn1 ZINC000590369839 347034541 /nfs/dbraw/zinc/03/45/41/347034541.db2.gz PTPLMQXCMGIOBK-SNVBAGLBSA-N 1 0 248.286 -0.394 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(C#N)ccn1 ZINC000590370013 347034450 /nfs/dbraw/zinc/03/44/50/347034450.db2.gz QKIYWBDPPLXHTJ-JTQLQIEISA-N 1 0 248.286 -0.394 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(C#N)ccn1 ZINC000590370015 347034487 /nfs/dbraw/zinc/03/44/87/347034487.db2.gz QKIYWBDPPLXHTJ-SNVBAGLBSA-N 1 0 248.286 -0.394 20 30 BBEDRO CCN1CCO[C@H](C(=O)N2CC(C#N)C2)C1 ZINC000590484281 347370412 /nfs/dbraw/zinc/37/04/12/347370412.db2.gz YLJXSYBTGAVKLX-JTQLQIEISA-N 1 0 223.276 -0.311 20 30 BBEDRO CCN1CCO[C@@H](C(=O)N2CC(C#N)C2)C1 ZINC000590484282 347370405 /nfs/dbraw/zinc/37/04/05/347370405.db2.gz YLJXSYBTGAVKLX-SNVBAGLBSA-N 1 0 223.276 -0.311 20 30 BBEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(C#N)C1 ZINC000590484442 411061964 /nfs/dbraw/zinc/06/19/64/411061964.db2.gz SFSWYLMTRKTMHN-JTQLQIEISA-N 1 0 237.303 -0.063 20 30 BBEDRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(C#N)C1 ZINC000590484451 347370707 /nfs/dbraw/zinc/37/07/07/347370707.db2.gz SFSWYLMTRKTMHN-SNVBAGLBSA-N 1 0 237.303 -0.063 20 30 BBEDRO CC[NH+]1CCN(CC(=O)N2CC(C#N)C2)CC1 ZINC000590485857 347375592 /nfs/dbraw/zinc/37/55/92/347375592.db2.gz VIGRNWMMJVJSGK-UHFFFAOYSA-N 1 0 236.319 -0.394 20 30 BBEDRO N#CC1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000590489515 347388332 /nfs/dbraw/zinc/38/83/32/347388332.db2.gz ZOSVPRXXBAHLSG-LLVKDONJSA-N 1 0 234.303 -0.642 20 30 BBEDRO N#CC1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000590489519 347388345 /nfs/dbraw/zinc/38/83/45/347388345.db2.gz ZOSVPRXXBAHLSG-NSHDSACASA-N 1 0 234.303 -0.642 20 30 BBEDRO N#C[C@@]1(F)CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000591361436 347645724 /nfs/dbraw/zinc/64/57/24/347645724.db2.gz JAYRTBZLGNQDPR-SJQPAMGKSA-N 1 0 238.266 -0.149 20 30 BBEDRO N#C[C@]1(F)CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000591361438 347645956 /nfs/dbraw/zinc/64/59/56/347645956.db2.gz JAYRTBZLGNQDPR-UYAYMFIHSA-N 1 0 238.266 -0.149 20 30 BBEDRO COC[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591723107 347689042 /nfs/dbraw/zinc/68/90/42/347689042.db2.gz JCYDPSIXNFJSEO-QWRGUYRKSA-N 1 0 229.324 -0.183 20 30 BBEDRO COC[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591723127 347689043 /nfs/dbraw/zinc/68/90/43/347689043.db2.gz JCYDPSIXNFJSEO-WDEREUQCSA-N 1 0 229.324 -0.183 20 30 BBEDRO N#CCC[NH2+]CCCN1CCCS1(=O)=O ZINC000591732508 385561316 /nfs/dbraw/zinc/56/13/16/385561316.db2.gz FSHGXVCHDMBSKY-UHFFFAOYSA-N 1 0 231.321 -0.085 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCOC1 ZINC000591756998 347691620 /nfs/dbraw/zinc/69/16/20/347691620.db2.gz NCEGZIRPDBKPQP-GHMZBOCLSA-N 1 0 227.308 -0.429 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCOC1 ZINC000591756999 347691140 /nfs/dbraw/zinc/69/11/40/347691140.db2.gz NCEGZIRPDBKPQP-MNOVXSKESA-N 1 0 227.308 -0.429 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCOC1 ZINC000591757000 347691650 /nfs/dbraw/zinc/69/16/50/347691650.db2.gz NCEGZIRPDBKPQP-QWRGUYRKSA-N 1 0 227.308 -0.429 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCOC1 ZINC000591757001 347691154 /nfs/dbraw/zinc/69/11/54/347691154.db2.gz NCEGZIRPDBKPQP-WDEREUQCSA-N 1 0 227.308 -0.429 20 30 BBEDRO C=CCOCC[NH2+]CCC(=O)NC(N)=O ZINC000591758988 347691978 /nfs/dbraw/zinc/69/19/78/347691978.db2.gz PUYMERYXFKAFHD-UHFFFAOYSA-N 1 0 215.253 -0.636 20 30 BBEDRO CC(C)(C#N)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000591759365 347692079 /nfs/dbraw/zinc/69/20/79/347692079.db2.gz JPBVWXDTABFVQF-LLVKDONJSA-N 1 0 241.335 -0.181 20 30 BBEDRO CC(C)(C#N)C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000591759366 347692209 /nfs/dbraw/zinc/69/22/09/347692209.db2.gz JPBVWXDTABFVQF-NSHDSACASA-N 1 0 241.335 -0.181 20 30 BBEDRO CC(C)(C#N)C[NH2+]CCC(=O)NC(N)=O ZINC000591759410 347692157 /nfs/dbraw/zinc/69/21/57/347692157.db2.gz MTSNIVNZYTUGKE-UHFFFAOYSA-N 1 0 212.253 -0.289 20 30 BBEDRO CS(=O)(=O)NC1CC([NH2+]CCC#N)C1 ZINC000591766109 487798047 /nfs/dbraw/zinc/79/80/47/487798047.db2.gz ANBGUNSTPOBJBB-UHFFFAOYSA-N 1 0 217.294 -0.430 20 30 BBEDRO C[NH+](C)[C@H]1CN(c2ncncc2C#N)C[C@@H]1O ZINC000591942797 347717181 /nfs/dbraw/zinc/71/71/81/347717181.db2.gz CTCRJLOPNYXCHM-UWVGGRQHSA-N 1 0 233.275 -0.541 20 30 BBEDRO CC(C)NC(=O)CN1CC[C@](O)(CC#N)C1 ZINC000592144921 397945627 /nfs/dbraw/zinc/94/56/27/397945627.db2.gz KUCQZMURGIVTNG-LLVKDONJSA-N 1 0 225.292 -0.139 20 30 BBEDRO CC(C)NC(=O)CN1CC[C@@](O)(CC#N)C1 ZINC000592144939 397945840 /nfs/dbraw/zinc/94/58/40/397945840.db2.gz KUCQZMURGIVTNG-NSHDSACASA-N 1 0 225.292 -0.139 20 30 BBEDRO CN(C)C(=O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146126 347748162 /nfs/dbraw/zinc/74/81/62/347748162.db2.gz DQTQBAFLURCEGV-LLVKDONJSA-N 1 0 225.292 -0.185 20 30 BBEDRO CN(C)C(=O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146127 347748142 /nfs/dbraw/zinc/74/81/42/347748142.db2.gz DQTQBAFLURCEGV-NSHDSACASA-N 1 0 225.292 -0.185 20 30 BBEDRO COC(=O)[C@@H](C)N1CC[C@](O)(CC#N)C1 ZINC000592146230 385568353 /nfs/dbraw/zinc/56/83/53/385568353.db2.gz GJAABLGUTFGVQH-PSASIEDQSA-N 1 0 212.249 -0.102 20 30 BBEDRO COC(=O)[C@@H](C)N1CC[C@@](O)(CC#N)C1 ZINC000592146231 385568259 /nfs/dbraw/zinc/56/82/59/385568259.db2.gz GJAABLGUTFGVQH-SCZZXKLOSA-N 1 0 212.249 -0.102 20 30 BBEDRO COC(=O)[C@H](C)N1CC[C@](O)(CC#N)C1 ZINC000592146232 385567743 /nfs/dbraw/zinc/56/77/43/385567743.db2.gz GJAABLGUTFGVQH-WCBMZHEXSA-N 1 0 212.249 -0.102 20 30 BBEDRO COC(=O)[C@H](C)N1CC[C@@](O)(CC#N)C1 ZINC000592146233 385568342 /nfs/dbraw/zinc/56/83/42/385568342.db2.gz GJAABLGUTFGVQH-WPRPVWTQSA-N 1 0 212.249 -0.102 20 30 BBEDRO C=CCNC(=O)CN1CC[C@](O)(CC#N)C1 ZINC000592146462 385568396 /nfs/dbraw/zinc/56/83/96/385568396.db2.gz HXPKIIUJXFJUJR-LLVKDONJSA-N 1 0 223.276 -0.361 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@](O)(CC#N)C1 ZINC000592146463 385568325 /nfs/dbraw/zinc/56/83/25/385568325.db2.gz HXPKIIUJXFJUJR-NSHDSACASA-N 1 0 223.276 -0.361 20 30 BBEDRO CCCNC(=O)CN1CC[C@](O)(CC#N)C1 ZINC000592146748 385567682 /nfs/dbraw/zinc/56/76/82/385567682.db2.gz FTKWWAXGWQBNEO-LLVKDONJSA-N 1 0 225.292 -0.137 20 30 BBEDRO CCCNC(=O)CN1CC[C@@](O)(CC#N)C1 ZINC000592146749 385568014 /nfs/dbraw/zinc/56/80/14/385568014.db2.gz FTKWWAXGWQBNEO-NSHDSACASA-N 1 0 225.292 -0.137 20 30 BBEDRO N#CC[C@@]1(O)CCN(CC(=O)N2CCCC2)C1 ZINC000592146769 385568147 /nfs/dbraw/zinc/56/81/47/385568147.db2.gz KFYXJWLOGNBBIR-GFCCVEGCSA-N 1 0 237.303 -0.041 20 30 BBEDRO N#CC[C@]1(O)CCN(CC(=O)N2CCCC2)C1 ZINC000592146773 385568232 /nfs/dbraw/zinc/56/82/32/385568232.db2.gz KFYXJWLOGNBBIR-LBPRGKRZSA-N 1 0 237.303 -0.041 20 30 BBEDRO C[C@@H](C(=O)N(C)C)N1CC[C@](O)(CC#N)C1 ZINC000592146924 385567872 /nfs/dbraw/zinc/56/78/72/385567872.db2.gz GZPPOLNSUNZJCU-GXSJLCMTSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[C@H](C(=O)N(C)C)N1CC[C@@](O)(CC#N)C1 ZINC000592146927 385567763 /nfs/dbraw/zinc/56/77/63/385567763.db2.gz GZPPOLNSUNZJCU-KOLCDFICSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[C@H](C(=O)N(C)C)N1CC[C@](O)(CC#N)C1 ZINC000592146929 385567945 /nfs/dbraw/zinc/56/79/45/385567945.db2.gz GZPPOLNSUNZJCU-MWLCHTKSSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[C@@H](C(=O)N(C)C)N1CC[C@@](O)(CC#N)C1 ZINC000592146930 385567905 /nfs/dbraw/zinc/56/79/05/385567905.db2.gz GZPPOLNSUNZJCU-ONGXEEELSA-N 1 0 225.292 -0.186 20 30 BBEDRO CCOC(=O)CN1CC[C@@](O)(CC#N)C1 ZINC000592146947 385568187 /nfs/dbraw/zinc/56/81/87/385568187.db2.gz LHXWVBZLVCATHI-JTQLQIEISA-N 1 0 212.249 -0.100 20 30 BBEDRO CCOC(=O)CN1CC[C@](O)(CC#N)C1 ZINC000592146948 385567845 /nfs/dbraw/zinc/56/78/45/385567845.db2.gz LHXWVBZLVCATHI-SNVBAGLBSA-N 1 0 212.249 -0.100 20 30 BBEDRO N#CC[C@@]1(O)CCN(CC(=O)NC2CC2)C1 ZINC000592146994 385568388 /nfs/dbraw/zinc/56/83/88/385568388.db2.gz HMNRBYQZHATDOU-LLVKDONJSA-N 1 0 223.276 -0.385 20 30 BBEDRO N#CC[C@]1(O)CCN(CC(=O)NC2CC2)C1 ZINC000592146995 385567800 /nfs/dbraw/zinc/56/78/00/385567800.db2.gz HMNRBYQZHATDOU-NSHDSACASA-N 1 0 223.276 -0.385 20 30 BBEDRO CCNC(=O)CN1CC[C@@](O)(CC#N)C1 ZINC000592147079 385568099 /nfs/dbraw/zinc/56/80/99/385568099.db2.gz ICGVYKUOOHWMMW-JTQLQIEISA-N 1 0 211.265 -0.527 20 30 BBEDRO CCNC(=O)CN1CC[C@](O)(CC#N)C1 ZINC000592147087 385568382 /nfs/dbraw/zinc/56/83/82/385568382.db2.gz ICGVYKUOOHWMMW-SNVBAGLBSA-N 1 0 211.265 -0.527 20 30 BBEDRO CN1CC[C@H](N2CC[C@](O)(CC#N)C2)C1=O ZINC000592150028 347741008 /nfs/dbraw/zinc/74/10/08/347741008.db2.gz BTCUNFJNQMCGQN-GXSJLCMTSA-N 1 0 223.276 -0.432 20 30 BBEDRO CN1CC[C@@H](N2CC[C@@](O)(CC#N)C2)C1=O ZINC000592150030 347740843 /nfs/dbraw/zinc/74/08/43/347740843.db2.gz BTCUNFJNQMCGQN-KOLCDFICSA-N 1 0 223.276 -0.432 20 30 BBEDRO CN1CC[C@@H](N2CC[C@](O)(CC#N)C2)C1=O ZINC000592150032 347740528 /nfs/dbraw/zinc/74/05/28/347740528.db2.gz BTCUNFJNQMCGQN-MWLCHTKSSA-N 1 0 223.276 -0.432 20 30 BBEDRO CN1CC[C@H](N2CC[C@@](O)(CC#N)C2)C1=O ZINC000592150033 347740490 /nfs/dbraw/zinc/74/04/90/347740490.db2.gz BTCUNFJNQMCGQN-ONGXEEELSA-N 1 0 223.276 -0.432 20 30 BBEDRO CC[C@H](C(N)=O)N1CC[C@](O)(CC#N)C1 ZINC000592150040 347741062 /nfs/dbraw/zinc/74/10/62/347741062.db2.gz BXWZMRSZWLBEQN-PSASIEDQSA-N 1 0 211.265 -0.399 20 30 BBEDRO CC[C@H](C(N)=O)N1CC[C@@](O)(CC#N)C1 ZINC000592150044 347740740 /nfs/dbraw/zinc/74/07/40/347740740.db2.gz BXWZMRSZWLBEQN-SCZZXKLOSA-N 1 0 211.265 -0.399 20 30 BBEDRO CC[C@@H](C(N)=O)N1CC[C@](O)(CC#N)C1 ZINC000592150046 347740448 /nfs/dbraw/zinc/74/04/48/347740448.db2.gz BXWZMRSZWLBEQN-WCBMZHEXSA-N 1 0 211.265 -0.399 20 30 BBEDRO CC[C@@H](C(N)=O)N1CC[C@@](O)(CC#N)C1 ZINC000592150048 347740649 /nfs/dbraw/zinc/74/06/49/347740649.db2.gz BXWZMRSZWLBEQN-WPRPVWTQSA-N 1 0 211.265 -0.399 20 30 BBEDRO CN1CCC[C@H]([N@@H+]2CC[C@](O)(CC#N)C2)C1=O ZINC000592150635 347741518 /nfs/dbraw/zinc/74/15/18/347741518.db2.gz FLNIGTFLUWGSSS-CMPLNLGQSA-N 1 0 237.303 -0.042 20 30 BBEDRO CN1CCC[C@H]([N@@H+]2CC[C@@](O)(CC#N)C2)C1=O ZINC000592150636 347741767 /nfs/dbraw/zinc/74/17/67/347741767.db2.gz FLNIGTFLUWGSSS-JQWIXIFHSA-N 1 0 237.303 -0.042 20 30 BBEDRO CN1CCC[C@@H]([N@@H+]2CC[C@@](O)(CC#N)C2)C1=O ZINC000592150637 347741826 /nfs/dbraw/zinc/74/18/26/347741826.db2.gz FLNIGTFLUWGSSS-PWSUYJOCSA-N 1 0 237.303 -0.042 20 30 BBEDRO CN1CCC[C@@H]([N@@H+]2CC[C@](O)(CC#N)C2)C1=O ZINC000592150638 347741592 /nfs/dbraw/zinc/74/15/92/347741592.db2.gz FLNIGTFLUWGSSS-ZYHUDNBSSA-N 1 0 237.303 -0.042 20 30 BBEDRO COCCOCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151183 347742656 /nfs/dbraw/zinc/74/26/56/347742656.db2.gz NTNZTVDWLXZDAJ-LLVKDONJSA-N 1 0 228.292 0.000 20 30 BBEDRO COCCOCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151184 347742727 /nfs/dbraw/zinc/74/27/27/347742727.db2.gz NTNZTVDWLXZDAJ-NSHDSACASA-N 1 0 228.292 0.000 20 30 BBEDRO CCOC[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151525 397945016 /nfs/dbraw/zinc/94/50/16/397945016.db2.gz PLRDZSQUIACBFG-GHMZBOCLSA-N 1 0 228.292 -0.266 20 30 BBEDRO CCOC[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151526 397944800 /nfs/dbraw/zinc/94/48/00/397944800.db2.gz PLRDZSQUIACBFG-MNOVXSKESA-N 1 0 228.292 -0.266 20 30 BBEDRO CCOC[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151532 397944882 /nfs/dbraw/zinc/94/48/82/397944882.db2.gz PLRDZSQUIACBFG-QWRGUYRKSA-N 1 0 228.292 -0.266 20 30 BBEDRO CCOC[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151534 397944819 /nfs/dbraw/zinc/94/48/19/397944819.db2.gz PLRDZSQUIACBFG-WDEREUQCSA-N 1 0 228.292 -0.266 20 30 BBEDRO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592153720 347744305 /nfs/dbraw/zinc/74/43/05/347744305.db2.gz OCWKWXKMJVGDIJ-GHMZBOCLSA-N 1 0 242.275 -0.739 20 30 BBEDRO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153721 347744505 /nfs/dbraw/zinc/74/45/05/347744505.db2.gz OCWKWXKMJVGDIJ-MNOVXSKESA-N 1 0 242.275 -0.739 20 30 BBEDRO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153722 347744139 /nfs/dbraw/zinc/74/41/39/347744139.db2.gz OCWKWXKMJVGDIJ-QWRGUYRKSA-N 1 0 242.275 -0.739 20 30 BBEDRO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592153723 347744728 /nfs/dbraw/zinc/74/47/28/347744728.db2.gz OCWKWXKMJVGDIJ-WDEREUQCSA-N 1 0 242.275 -0.739 20 30 BBEDRO Cn1cc(C#N)c(=O)n(C[C@@H]2CC[NH2+]C2)c1=O ZINC000592158746 347745896 /nfs/dbraw/zinc/74/58/96/347745896.db2.gz NUMUXSAQTIIEBS-MRVPVSSYSA-N 1 0 234.259 -0.972 20 30 BBEDRO Cn1cc(C#N)c(=O)n(C[C@H]2CC[NH2+]C2)c1=O ZINC000592158747 347745946 /nfs/dbraw/zinc/74/59/46/347745946.db2.gz NUMUXSAQTIIEBS-QMMMGPOBSA-N 1 0 234.259 -0.972 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592198497 347751262 /nfs/dbraw/zinc/75/12/62/347751262.db2.gz QUJYVGAYFKMKOT-AXFHLTTASA-N 1 0 243.303 -0.221 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592198500 347750760 /nfs/dbraw/zinc/75/07/60/347750760.db2.gz QUJYVGAYFKMKOT-DCAQKATOSA-N 1 0 243.303 -0.221 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592198501 347751227 /nfs/dbraw/zinc/75/12/27/347751227.db2.gz QUJYVGAYFKMKOT-MXWKQRLJSA-N 1 0 243.303 -0.221 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592198503 347750852 /nfs/dbraw/zinc/75/08/52/347750852.db2.gz QUJYVGAYFKMKOT-VWYCJHECSA-N 1 0 243.303 -0.221 20 30 BBEDRO CC#CC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592206020 347756990 /nfs/dbraw/zinc/75/69/90/347756990.db2.gz LHFFJAAXIMQDEZ-NXEZZACHSA-N 1 0 211.261 -0.135 20 30 BBEDRO CC#CC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592206029 347756474 /nfs/dbraw/zinc/75/64/74/347756474.db2.gz LHFFJAAXIMQDEZ-UWVGGRQHSA-N 1 0 211.261 -0.135 20 30 BBEDRO CC#CC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592206030 347756534 /nfs/dbraw/zinc/75/65/34/347756534.db2.gz LHFFJAAXIMQDEZ-VHSXEESVSA-N 1 0 211.261 -0.135 20 30 BBEDRO CC#CC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592206032 347756740 /nfs/dbraw/zinc/75/67/40/347756740.db2.gz LHFFJAAXIMQDEZ-ZJUUUORDSA-N 1 0 211.261 -0.135 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000592255072 347764629 /nfs/dbraw/zinc/76/46/29/347764629.db2.gz GWAKCGBUJSBZLR-DTWKUNHWSA-N 1 0 211.265 -0.230 20 30 BBEDRO C[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CO1 ZINC000592366937 347775398 /nfs/dbraw/zinc/77/53/98/347775398.db2.gz KWKSMAACLWPJDQ-BDAKNGLRSA-N 1 0 221.264 -0.083 20 30 BBEDRO C[C@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CO1 ZINC000592366941 347775443 /nfs/dbraw/zinc/77/54/43/347775443.db2.gz KWKSMAACLWPJDQ-DTWKUNHWSA-N 1 0 221.264 -0.083 20 30 BBEDRO C[C@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CO1 ZINC000592366942 347775467 /nfs/dbraw/zinc/77/54/67/347775467.db2.gz KWKSMAACLWPJDQ-IUCAKERBSA-N 1 0 221.264 -0.083 20 30 BBEDRO C[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CO1 ZINC000592366943 347775304 /nfs/dbraw/zinc/77/53/04/347775304.db2.gz KWKSMAACLWPJDQ-RKDXNWHRSA-N 1 0 221.264 -0.083 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC(C)(C)CO ZINC000592429268 397949500 /nfs/dbraw/zinc/94/95/00/397949500.db2.gz CKONDWLWCDBUTJ-LLVKDONJSA-N 1 0 243.351 -0.199 20 30 BBEDRO C[C@@H](CO)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000592429280 397949483 /nfs/dbraw/zinc/94/94/83/397949483.db2.gz FMTLHJJYWBEJPF-GHMZBOCLSA-N 1 0 229.324 -0.589 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC(C)(C)CO ZINC000592429281 397949396 /nfs/dbraw/zinc/94/93/96/397949396.db2.gz CKONDWLWCDBUTJ-NSHDSACASA-N 1 0 243.351 -0.199 20 30 BBEDRO C[C@@H](CO)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000592429285 397949153 /nfs/dbraw/zinc/94/91/53/397949153.db2.gz FMTLHJJYWBEJPF-MNOVXSKESA-N 1 0 229.324 -0.589 20 30 BBEDRO C[C@H](CO)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000592429286 397949307 /nfs/dbraw/zinc/94/93/07/397949307.db2.gz FMTLHJJYWBEJPF-QWRGUYRKSA-N 1 0 229.324 -0.589 20 30 BBEDRO C[C@H](CO)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000592429287 397949524 /nfs/dbraw/zinc/94/95/24/397949524.db2.gz FMTLHJJYWBEJPF-WDEREUQCSA-N 1 0 229.324 -0.589 20 30 BBEDRO C[C@H](O)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000592429486 347785010 /nfs/dbraw/zinc/78/50/10/347785010.db2.gz HFKAPECGONKQTK-QWRGUYRKSA-N 1 0 229.324 -0.447 20 30 BBEDRO C[C@H](O)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000592429487 347785046 /nfs/dbraw/zinc/78/50/46/347785046.db2.gz HFKAPECGONKQTK-WDEREUQCSA-N 1 0 229.324 -0.447 20 30 BBEDRO CC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000592429935 347785205 /nfs/dbraw/zinc/78/52/05/347785205.db2.gz PARCFSKFXVBYHQ-GHMZBOCLSA-N 1 0 229.324 -0.447 20 30 BBEDRO CC[C@@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000592429937 347785025 /nfs/dbraw/zinc/78/50/25/347785025.db2.gz PARCFSKFXVBYHQ-MNOVXSKESA-N 1 0 229.324 -0.447 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(CO)CC1 ZINC000592430404 347785579 /nfs/dbraw/zinc/78/55/79/347785579.db2.gz MHILIOIIUDPTCO-LLVKDONJSA-N 1 0 241.335 -0.445 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(CO)CC1 ZINC000592430405 347785858 /nfs/dbraw/zinc/78/58/58/347785858.db2.gz MHILIOIIUDPTCO-NSHDSACASA-N 1 0 241.335 -0.445 20 30 BBEDRO CC[C@H](CCO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000592430679 347785104 /nfs/dbraw/zinc/78/51/04/347785104.db2.gz BNWOJBIFTNJZPZ-NEPJUHHUSA-N 1 0 243.351 -0.057 20 30 BBEDRO CC[C@@H](CCO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000592430684 347785165 /nfs/dbraw/zinc/78/51/65/347785165.db2.gz BNWOJBIFTNJZPZ-NWDGAFQWSA-N 1 0 243.351 -0.057 20 30 BBEDRO CC[C@@H](CCO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000592430686 347785088 /nfs/dbraw/zinc/78/50/88/347785088.db2.gz BNWOJBIFTNJZPZ-RYUDHWBXSA-N 1 0 243.351 -0.057 20 30 BBEDRO CC[C@H](CCO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000592430688 347785706 /nfs/dbraw/zinc/78/57/06/347785706.db2.gz BNWOJBIFTNJZPZ-VXGBXAGGSA-N 1 0 243.351 -0.057 20 30 BBEDRO CC[C@H](CO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000592430844 347785575 /nfs/dbraw/zinc/78/55/75/347785575.db2.gz HFOUFNIINZHKPO-GHMZBOCLSA-N 1 0 229.324 -0.447 20 30 BBEDRO CC[C@H](CO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000592430846 347785601 /nfs/dbraw/zinc/78/56/01/347785601.db2.gz HFOUFNIINZHKPO-MNOVXSKESA-N 1 0 229.324 -0.447 20 30 BBEDRO CC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@H](C)O ZINC000592430891 347785528 /nfs/dbraw/zinc/78/55/28/347785528.db2.gz QJXOSZLJBKCMFT-SRVKXCTJSA-N 1 0 243.351 -0.058 20 30 BBEDRO CC[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@H](C)O ZINC000592430894 347785721 /nfs/dbraw/zinc/78/57/21/347785721.db2.gz QJXOSZLJBKCMFT-TUAOUCFPSA-N 1 0 243.351 -0.058 20 30 BBEDRO CC[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@@H](C)O ZINC000592430897 347785852 /nfs/dbraw/zinc/78/58/52/347785852.db2.gz QJXOSZLJBKCMFT-UTUOFQBUSA-N 1 0 243.351 -0.058 20 30 BBEDRO CC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@@H](C)O ZINC000592430901 347785847 /nfs/dbraw/zinc/78/58/47/347785847.db2.gz QJXOSZLJBKCMFT-WOPDTQHZSA-N 1 0 243.351 -0.058 20 30 BBEDRO C[C@H](CCO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000592430991 347785739 /nfs/dbraw/zinc/78/57/39/347785739.db2.gz GFXOWHHASDKYFA-GHMZBOCLSA-N 1 0 229.324 -0.447 20 30 BBEDRO C[C@H](CCO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000592430992 347785508 /nfs/dbraw/zinc/78/55/08/347785508.db2.gz GFXOWHHASDKYFA-MNOVXSKESA-N 1 0 229.324 -0.447 20 30 BBEDRO C[C@@H](CCO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000592430994 347785661 /nfs/dbraw/zinc/78/56/61/347785661.db2.gz GFXOWHHASDKYFA-QWRGUYRKSA-N 1 0 229.324 -0.447 20 30 BBEDRO C[C@@H](CCO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000592431000 347785830 /nfs/dbraw/zinc/78/58/30/347785830.db2.gz GFXOWHHASDKYFA-WDEREUQCSA-N 1 0 229.324 -0.447 20 30 BBEDRO C=CC[C@@H](CO)C[NH2+]CCC(=O)NC(N)=O ZINC000592432890 347778674 /nfs/dbraw/zinc/77/86/74/347778674.db2.gz ZPTWLFZQEXGNED-MRVPVSSYSA-N 1 0 229.280 -0.654 20 30 BBEDRO C=CC[C@H](CO)C[NH2+]CCC(=O)NC(N)=O ZINC000592432914 347778492 /nfs/dbraw/zinc/77/84/92/347778492.db2.gz ZPTWLFZQEXGNED-QMMMGPOBSA-N 1 0 229.280 -0.654 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCC[NH3+] ZINC000592473768 347790543 /nfs/dbraw/zinc/79/05/43/347790543.db2.gz MXAFOYJYYWHANG-SECBINFHSA-N 1 0 242.323 -0.333 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)N(C)CCC[NH3+] ZINC000592473769 347790849 /nfs/dbraw/zinc/79/08/49/347790849.db2.gz MXAFOYJYYWHANG-VIFPVBQESA-N 1 0 242.323 -0.333 20 30 BBEDRO C[C@@H]1[C@H](C(=O)N2CC(O)(CC#N)C2)CC[N@@H+]1C ZINC000592792514 347819447 /nfs/dbraw/zinc/81/94/47/347819447.db2.gz SBRYWFMWCNPAJY-NXEZZACHSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[C@@H]1[C@H](C(=O)NCC(=O)NCC#N)CC[N@@H+]1C ZINC000592799038 347817221 /nfs/dbraw/zinc/81/72/21/347817221.db2.gz KQLIVRHDENOYEZ-RKDXNWHRSA-N 1 0 238.291 -0.917 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CC#N)C1 ZINC000592843958 347821290 /nfs/dbraw/zinc/82/12/90/347821290.db2.gz IFSRNSHBSKJWBC-CMPLNLGQSA-N 1 0 237.303 -0.042 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592843961 347821271 /nfs/dbraw/zinc/82/12/71/347821271.db2.gz IFSRNSHBSKJWBC-JQWIXIFHSA-N 1 0 237.303 -0.042 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592843962 347821132 /nfs/dbraw/zinc/82/11/32/347821132.db2.gz IFSRNSHBSKJWBC-PWSUYJOCSA-N 1 0 237.303 -0.042 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CC#N)C1 ZINC000592843963 347821243 /nfs/dbraw/zinc/82/12/43/347821243.db2.gz IFSRNSHBSKJWBC-ZYHUDNBSSA-N 1 0 237.303 -0.042 20 30 BBEDRO C[C@@H](C(=O)N1CC[C@](O)(CC#N)C1)[NH+](C)C ZINC000592844511 347821412 /nfs/dbraw/zinc/82/14/12/347821412.db2.gz DEQGSPLBFQOHCA-GXSJLCMTSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[C@@H](C(=O)N1CC[C@@](O)(CC#N)C1)[NH+](C)C ZINC000592844512 347821171 /nfs/dbraw/zinc/82/11/71/347821171.db2.gz DEQGSPLBFQOHCA-ONGXEEELSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CC#N)C2)C1 ZINC000592845533 347821699 /nfs/dbraw/zinc/82/16/99/347821699.db2.gz OSWWOFNFXPMEMD-CMPLNLGQSA-N 1 0 237.303 -0.185 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC000592845534 347821772 /nfs/dbraw/zinc/82/17/72/347821772.db2.gz OSWWOFNFXPMEMD-JQWIXIFHSA-N 1 0 237.303 -0.185 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC000592845536 347821725 /nfs/dbraw/zinc/82/17/25/347821725.db2.gz OSWWOFNFXPMEMD-PWSUYJOCSA-N 1 0 237.303 -0.185 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CC#N)C2)C1 ZINC000592845537 347821598 /nfs/dbraw/zinc/82/15/98/347821598.db2.gz OSWWOFNFXPMEMD-ZYHUDNBSSA-N 1 0 237.303 -0.185 20 30 BBEDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CC#N ZINC000592875438 347827967 /nfs/dbraw/zinc/82/79/67/347827967.db2.gz YQDNIXNTXNYLGS-SECBINFHSA-N 1 0 238.291 -0.522 20 30 BBEDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CC#N ZINC000592875439 347827988 /nfs/dbraw/zinc/82/79/88/347827988.db2.gz YQDNIXNTXNYLGS-VIFPVBQESA-N 1 0 238.291 -0.522 20 30 BBEDRO C[NH+](C)CCN1CCN(CCC#N)CC1=O ZINC000593051410 347853117 /nfs/dbraw/zinc/85/31/17/347853117.db2.gz MNIJIJBFMFGMGS-UHFFFAOYSA-N 1 0 224.308 -0.394 20 30 BBEDRO C[NH+](C)CCN1CCN(CC#N)CC1=O ZINC000593051435 347852915 /nfs/dbraw/zinc/85/29/15/347852915.db2.gz JYEJSHHBHCDXEB-UHFFFAOYSA-N 1 0 210.281 -0.784 20 30 BBEDRO C[NH+](C)CCN1CCN(CCCC#N)CC1=O ZINC000593051561 347852836 /nfs/dbraw/zinc/85/28/36/347852836.db2.gz LDNAPAVRNHTZJV-UHFFFAOYSA-N 1 0 238.335 -0.004 20 30 BBEDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCOCCC#N ZINC000593064084 347849669 /nfs/dbraw/zinc/84/96/69/347849669.db2.gz OKSLRBZJXMVCPD-WDEREUQCSA-N 1 0 228.292 -0.002 20 30 BBEDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCOCCC#N ZINC000593066589 347849514 /nfs/dbraw/zinc/84/95/14/347849514.db2.gz OKSLRBZJXMVCPD-GHMZBOCLSA-N 1 0 228.292 -0.002 20 30 BBEDRO C[C@@H](CO)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000593082819 347851608 /nfs/dbraw/zinc/85/16/08/347851608.db2.gz IGDXALROBDKHNL-JTQLQIEISA-N 1 0 239.319 -0.033 20 30 BBEDRO C[C@H](CO)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000593082820 347851307 /nfs/dbraw/zinc/85/13/07/347851307.db2.gz IGDXALROBDKHNL-SNVBAGLBSA-N 1 0 239.319 -0.033 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CCO ZINC000593108985 347860693 /nfs/dbraw/zinc/86/06/93/347860693.db2.gz FJNQSRNDUVKAHM-SECBINFHSA-N 1 0 243.307 -0.299 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CCO ZINC000593108986 347860508 /nfs/dbraw/zinc/86/05/08/347860508.db2.gz FJNQSRNDUVKAHM-VIFPVBQESA-N 1 0 243.307 -0.299 20 30 BBEDRO CC[C@H](C#N)C(=O)NCCN1CC[NH+](C)CC1 ZINC000593393286 347887064 /nfs/dbraw/zinc/88/70/64/347887064.db2.gz AJZVPBKDBPMOAZ-LLVKDONJSA-N 1 0 238.335 -0.100 20 30 BBEDRO CC[C@@H](C#N)C(=O)NCCN1CC[NH+](C)CC1 ZINC000593393293 347887009 /nfs/dbraw/zinc/88/70/09/347887009.db2.gz AJZVPBKDBPMOAZ-NSHDSACASA-N 1 0 238.335 -0.100 20 30 BBEDRO CC[C@@H](C#N)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000593547111 347909851 /nfs/dbraw/zinc/90/98/51/347909851.db2.gz CCRFTZXGLIXNRY-GXSJLCMTSA-N 1 0 227.308 -0.035 20 30 BBEDRO CC[C@H](C#N)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000593547112 347910019 /nfs/dbraw/zinc/91/00/19/347910019.db2.gz CCRFTZXGLIXNRY-KOLCDFICSA-N 1 0 227.308 -0.035 20 30 BBEDRO CC[C@H](C#N)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000593547113 347910146 /nfs/dbraw/zinc/91/01/46/347910146.db2.gz CCRFTZXGLIXNRY-MWLCHTKSSA-N 1 0 227.308 -0.035 20 30 BBEDRO CC[C@@H](C#N)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000593547114 347909951 /nfs/dbraw/zinc/90/99/51/347909951.db2.gz CCRFTZXGLIXNRY-ONGXEEELSA-N 1 0 227.308 -0.035 20 30 BBEDRO CC[C@@H](C#N)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000593604632 347919607 /nfs/dbraw/zinc/91/96/07/347919607.db2.gz COZLNTMVFWOWOX-GXSJLCMTSA-N 1 0 225.292 -0.281 20 30 BBEDRO CC[C@H](C#N)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000593604634 347919833 /nfs/dbraw/zinc/91/98/33/347919833.db2.gz COZLNTMVFWOWOX-KOLCDFICSA-N 1 0 225.292 -0.281 20 30 BBEDRO CC[C@H](C#N)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000593604635 347919676 /nfs/dbraw/zinc/91/96/76/347919676.db2.gz COZLNTMVFWOWOX-MWLCHTKSSA-N 1 0 225.292 -0.281 20 30 BBEDRO CC[C@@H](C#N)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000593604636 347919719 /nfs/dbraw/zinc/91/97/19/347919719.db2.gz COZLNTMVFWOWOX-ONGXEEELSA-N 1 0 225.292 -0.281 20 30 BBEDRO CC[C@@H](C#N)C(=O)NCC[N@H+](CC)CCO ZINC000593613346 347920956 /nfs/dbraw/zinc/92/09/56/347920956.db2.gz SMAJCFAJMPQZBW-JTQLQIEISA-N 1 0 227.308 -0.033 20 30 BBEDRO CC[C@H](C#N)C(=O)NCC[N@H+](CC)CCO ZINC000593613348 347920714 /nfs/dbraw/zinc/92/07/14/347920714.db2.gz SMAJCFAJMPQZBW-SNVBAGLBSA-N 1 0 227.308 -0.033 20 30 BBEDRO C[NH+](C)CCN1CCN(C(=O)CC#N)CC1=O ZINC000593785210 347951533 /nfs/dbraw/zinc/95/15/33/347951533.db2.gz YNNGKNXPKBVTTB-UHFFFAOYSA-N 1 0 238.291 -0.868 20 30 BBEDRO CC1(C)C[NH2+]CCN1C(=O)Cn1cnc(C#N)n1 ZINC000593902650 347967379 /nfs/dbraw/zinc/96/73/79/347967379.db2.gz DOUAPXGZGDVFJB-UHFFFAOYSA-N 1 0 248.290 -0.640 20 30 BBEDRO N#Cc1ncn(CC(=O)NC2(C[NH3+])CCCC2)n1 ZINC000593904279 347968046 /nfs/dbraw/zinc/96/80/46/347968046.db2.gz RISTXKUPHGUACA-UHFFFAOYSA-N 1 0 248.290 -0.463 20 30 BBEDRO N#Cc1ncn(CC(=O)NC[C@H]2CCCC[NH2+]2)n1 ZINC000593904285 347968125 /nfs/dbraw/zinc/96/81/25/347968125.db2.gz SDZZYEFFYGBYCM-SECBINFHSA-N 1 0 248.290 -0.592 20 30 BBEDRO N#Cc1ncn(CC(=O)NC[C@@H]2CCCC[NH2+]2)n1 ZINC000593904291 347967822 /nfs/dbraw/zinc/96/78/22/347967822.db2.gz SDZZYEFFYGBYCM-VIFPVBQESA-N 1 0 248.290 -0.592 20 30 BBEDRO N#Cc1ncn(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000593905111 347967976 /nfs/dbraw/zinc/96/79/76/347967976.db2.gz MJLQIJCVHVIMMN-BDAKNGLRSA-N 1 0 248.290 -0.464 20 30 BBEDRO N#Cc1ncn(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000593905112 347967947 /nfs/dbraw/zinc/96/79/47/347967947.db2.gz MJLQIJCVHVIMMN-DTWKUNHWSA-N 1 0 248.290 -0.464 20 30 BBEDRO N#Cc1ncn(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000593905113 347968037 /nfs/dbraw/zinc/96/80/37/347968037.db2.gz MJLQIJCVHVIMMN-IUCAKERBSA-N 1 0 248.290 -0.464 20 30 BBEDRO N#Cc1ncn(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000593905114 347968119 /nfs/dbraw/zinc/96/81/19/347968119.db2.gz MJLQIJCVHVIMMN-RKDXNWHRSA-N 1 0 248.290 -0.464 20 30 BBEDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cn1cnc(C#N)n1 ZINC000593906115 347968537 /nfs/dbraw/zinc/96/85/37/347968537.db2.gz HYQLFBBNZIHFRE-MRVPVSSYSA-N 1 0 248.290 -0.594 20 30 BBEDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cn1cnc(C#N)n1 ZINC000593906471 347968468 /nfs/dbraw/zinc/96/84/68/347968468.db2.gz HYQLFBBNZIHFRE-QMMMGPOBSA-N 1 0 248.290 -0.594 20 30 BBEDRO C[NH+](C)[C@H]1CN(CC2(C#N)CC2)C[C@@H]1O ZINC000593988553 347979684 /nfs/dbraw/zinc/97/96/84/347979684.db2.gz ALNLAXOQUAEXQL-UWVGGRQHSA-N 1 0 209.293 -0.103 20 30 BBEDRO C=C[C@@H](C(=O)OC)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000593989460 347980332 /nfs/dbraw/zinc/98/03/32/347980332.db2.gz RFRMGMFHBRIOLT-GUBZILKMSA-N 1 0 228.292 -0.679 20 30 BBEDRO C=C[C@H](C(=O)OC)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000593989497 347980282 /nfs/dbraw/zinc/98/02/82/347980282.db2.gz RFRMGMFHBRIOLT-UTLUCORTSA-N 1 0 228.292 -0.679 20 30 BBEDRO CC[C@H](CC#N)[NH2+]CCN1C(=O)CNC1=O ZINC000594009320 347984925 /nfs/dbraw/zinc/98/49/25/347984925.db2.gz APJIXCZIJBXHDY-MRVPVSSYSA-N 1 0 224.264 -0.180 20 30 BBEDRO CC[C@@H](CC#N)[NH2+]CCN1C(=O)CNC1=O ZINC000594009321 347984704 /nfs/dbraw/zinc/98/47/04/347984704.db2.gz APJIXCZIJBXHDY-QMMMGPOBSA-N 1 0 224.264 -0.180 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)CN1CC[C@@](O)(CC#N)C1 ZINC000594015097 347989979 /nfs/dbraw/zinc/98/99/79/347989979.db2.gz FCJBDDPRCIKLQO-NEPJUHHUSA-N 1 0 241.335 -0.351 20 30 BBEDRO CC[N@H+](C)C[C@H](O)CN1CC[C@](O)(CC#N)C1 ZINC000594015098 347989825 /nfs/dbraw/zinc/98/98/25/347989825.db2.gz FCJBDDPRCIKLQO-NWDGAFQWSA-N 1 0 241.335 -0.351 20 30 BBEDRO CC[N@H+](C)C[C@H](O)CN1CC[C@@](O)(CC#N)C1 ZINC000594015099 347989831 /nfs/dbraw/zinc/98/98/31/347989831.db2.gz FCJBDDPRCIKLQO-RYUDHWBXSA-N 1 0 241.335 -0.351 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)CN1CC[C@](O)(CC#N)C1 ZINC000594015100 347989941 /nfs/dbraw/zinc/98/99/41/347989941.db2.gz FCJBDDPRCIKLQO-VXGBXAGGSA-N 1 0 241.335 -0.351 20 30 BBEDRO C=C[C@@H](C(=O)OC)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025363 347991313 /nfs/dbraw/zinc/99/13/13/347991313.db2.gz HBWQKWSREBFVPM-AXFHLTTASA-N 1 0 240.303 -0.535 20 30 BBEDRO C[C@@H](O)C[N@H+](CC(=O)NCC#N)C1CC1 ZINC000594063061 347997611 /nfs/dbraw/zinc/99/76/11/347997611.db2.gz IGRQLXAIPQMEIO-MRVPVSSYSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[C@H](O)C[N@H+](CC(=O)NCC#N)C1CC1 ZINC000594063063 347997264 /nfs/dbraw/zinc/99/72/64/347997264.db2.gz IGRQLXAIPQMEIO-QMMMGPOBSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[NH+](C)[C@H]1CN(C(=O)CC2(C#N)CC2)C[C@@H]1O ZINC000594359081 348041939 /nfs/dbraw/zinc/04/19/39/348041939.db2.gz IOJNCIGNGFIBCG-UWVGGRQHSA-N 1 0 237.303 -0.186 20 30 BBEDRO CC[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000594359177 348041918 /nfs/dbraw/zinc/04/19/18/348041918.db2.gz UWAYLOBCHRRTDV-GUBZILKMSA-N 1 0 225.292 -0.331 20 30 BBEDRO CC[C@H](C#N)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000594359178 348041971 /nfs/dbraw/zinc/04/19/71/348041971.db2.gz UWAYLOBCHRRTDV-UTLUCORTSA-N 1 0 225.292 -0.331 20 30 BBEDRO CC[C@@H](C#N)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594386158 348040578 /nfs/dbraw/zinc/04/05/78/348040578.db2.gz LZCQIAYFBBCUID-GARJFASQSA-N 1 0 237.303 -0.186 20 30 BBEDRO N#CC1(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000594387094 348040648 /nfs/dbraw/zinc/04/06/48/348040648.db2.gz RECPWYAUAMHGEO-WDEREUQCSA-N 1 0 249.314 -0.042 20 30 BBEDRO N#CCCCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594387586 348040712 /nfs/dbraw/zinc/04/07/12/348040712.db2.gz VFYKVDKJSYHNNM-WDEREUQCSA-N 1 0 237.303 -0.042 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594391641 348041274 /nfs/dbraw/zinc/04/12/74/348041274.db2.gz BKXYPEQTKCURJA-LPEHRKFASA-N 1 0 223.276 -0.577 20 30 BBEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCNC(=O)C1 ZINC000594424504 348051206 /nfs/dbraw/zinc/05/12/06/348051206.db2.gz AEIBJSBHYAJYAH-SECBINFHSA-N 1 0 238.291 -0.644 20 30 BBEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCNC(=O)C1 ZINC000594424505 348051521 /nfs/dbraw/zinc/05/15/21/348051521.db2.gz AEIBJSBHYAJYAH-VIFPVBQESA-N 1 0 238.291 -0.644 20 30 BBEDRO C[C@H](O)C[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000594548962 348067604 /nfs/dbraw/zinc/06/76/04/348067604.db2.gz ONMDAOJHIIFRLM-JTQLQIEISA-N 1 0 247.302 -0.149 20 30 BBEDRO C[C@@H](O)C[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000594548963 348067610 /nfs/dbraw/zinc/06/76/10/348067610.db2.gz ONMDAOJHIIFRLM-SNVBAGLBSA-N 1 0 247.302 -0.149 20 30 BBEDRO COCC[N@H+](C)C[C@@H](O)CN1CC(C#N)C1 ZINC000594570265 487845751 /nfs/dbraw/zinc/84/57/51/487845751.db2.gz NJADTHJJSHJDBM-LLVKDONJSA-N 1 0 227.308 -0.619 20 30 BBEDRO COCC[N@H+](C)C[C@H](O)CN1CC(C#N)C1 ZINC000594570266 487845874 /nfs/dbraw/zinc/84/58/74/487845874.db2.gz NJADTHJJSHJDBM-NSHDSACASA-N 1 0 227.308 -0.619 20 30 BBEDRO N#Cc1nccc(N2CC(N3CC[C@@H](O)C3)C2)n1 ZINC000594587174 348077918 /nfs/dbraw/zinc/07/79/18/348077918.db2.gz UNJIEWJMMULQSQ-SNVBAGLBSA-N 1 0 245.286 -0.397 20 30 BBEDRO N#CCCCn1cc(CN2CC[NH2+]CC2)nn1 ZINC000594649428 491077069 /nfs/dbraw/zinc/07/70/69/491077069.db2.gz JUHHICVUVGTGGR-UHFFFAOYSA-N 1 0 234.307 -0.013 20 30 BBEDRO N#Cc1ncc(OC[C@H]2C[NH2+]CCO2)cn1 ZINC000594697443 348100790 /nfs/dbraw/zinc/10/07/90/348100790.db2.gz VYADBUBPTCOKRT-SECBINFHSA-N 1 0 220.232 -0.285 20 30 BBEDRO N#Cc1ncc(OC[C@@H]2C[NH2+]CCO2)cn1 ZINC000594697447 348100716 /nfs/dbraw/zinc/10/07/16/348100716.db2.gz VYADBUBPTCOKRT-VIFPVBQESA-N 1 0 220.232 -0.285 20 30 BBEDRO CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000594715790 348105430 /nfs/dbraw/zinc/10/54/30/348105430.db2.gz DASDIJFVTUEKLU-GHMZBOCLSA-N 1 0 229.324 -0.183 20 30 BBEDRO CO[C@H](C)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000594715802 348105691 /nfs/dbraw/zinc/10/56/91/348105691.db2.gz DASDIJFVTUEKLU-MNOVXSKESA-N 1 0 229.324 -0.183 20 30 BBEDRO CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000594715804 348105531 /nfs/dbraw/zinc/10/55/31/348105531.db2.gz DASDIJFVTUEKLU-QWRGUYRKSA-N 1 0 229.324 -0.183 20 30 BBEDRO CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000594715806 348105554 /nfs/dbraw/zinc/10/55/54/348105554.db2.gz DASDIJFVTUEKLU-WDEREUQCSA-N 1 0 229.324 -0.183 20 30 BBEDRO COCC[N@H+](C)C[C@@H](O)CN1CC(CC#N)C1 ZINC000594716500 348106223 /nfs/dbraw/zinc/10/62/23/348106223.db2.gz RAOGUJJLFCRAQC-GFCCVEGCSA-N 1 0 241.335 -0.229 20 30 BBEDRO COCC[N@H+](C)C[C@H](O)CN1CC(CC#N)C1 ZINC000594716510 348106271 /nfs/dbraw/zinc/10/62/71/348106271.db2.gz RAOGUJJLFCRAQC-LBPRGKRZSA-N 1 0 241.335 -0.229 20 30 BBEDRO C=CCOCCC[NH2+]CCC(=O)NC(N)=O ZINC000594733584 348109227 /nfs/dbraw/zinc/10/92/27/348109227.db2.gz YTGHGXVFXODVEC-UHFFFAOYSA-N 1 0 229.280 -0.246 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)o1 ZINC000595104056 348196169 /nfs/dbraw/zinc/19/61/69/348196169.db2.gz DKALAVOQZNUYBC-SSDOTTSWSA-N 1 0 241.272 -0.209 20 30 BBEDRO C[C@H]([NH3+])CNS(=O)(=O)c1ccc(C#N)o1 ZINC000595107262 348196021 /nfs/dbraw/zinc/19/60/21/348196021.db2.gz IKVPYKLJUJPZBQ-LURJTMIESA-N 1 0 229.261 -0.223 20 30 BBEDRO C[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C#N)o1 ZINC000595107263 348195922 /nfs/dbraw/zinc/19/59/22/348195922.db2.gz IKVPYKLJUJPZBQ-ZCFIWIBFSA-N 1 0 229.261 -0.223 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000595108374 348197842 /nfs/dbraw/zinc/19/78/42/348197842.db2.gz OJARVEHLIZJFCH-KNVOCYPGSA-N 1 0 241.272 -0.081 20 30 BBEDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(C#N)o1 ZINC000595108990 348197442 /nfs/dbraw/zinc/19/74/42/348197442.db2.gz WOHUFYGGGFFPBP-UHFFFAOYSA-N 1 0 243.288 -0.009 20 30 BBEDRO CN(C1C[NH2+]C1)S(=O)(=O)c1ccc(C#N)o1 ZINC000595112063 348197722 /nfs/dbraw/zinc/19/77/22/348197722.db2.gz RAAXDZDJDPCEQH-UHFFFAOYSA-N 1 0 241.272 -0.256 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000595116662 348197412 /nfs/dbraw/zinc/19/74/12/348197412.db2.gz XGNMRSCGNWGJKE-UHFFFAOYSA-N 1 0 248.352 -0.254 20 30 BBEDRO C[NH2+]C[C@@H](C)NS(=O)(=O)N(C)CCC#N ZINC000595122911 348197439 /nfs/dbraw/zinc/19/74/39/348197439.db2.gz YLXMKCKXRAVUOD-MRVPVSSYSA-N 1 0 234.325 -0.726 20 30 BBEDRO C[NH2+]C[C@H](C)NS(=O)(=O)N(C)CCC#N ZINC000595122914 348197364 /nfs/dbraw/zinc/19/73/64/348197364.db2.gz YLXMKCKXRAVUOD-QMMMGPOBSA-N 1 0 234.325 -0.726 20 30 BBEDRO N#C[C@]1(F)CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000595271918 348209787 /nfs/dbraw/zinc/20/97/87/348209787.db2.gz QFNYFJFCBFULFH-WCBMZHEXSA-N 1 0 226.255 -0.005 20 30 BBEDRO N#C[C@@]1(F)CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000595271919 348209901 /nfs/dbraw/zinc/20/99/01/348209901.db2.gz QFNYFJFCBFULFH-WPRPVWTQSA-N 1 0 226.255 -0.005 20 30 BBEDRO C[NH2+]C[C@@H](C)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000595275954 348211175 /nfs/dbraw/zinc/21/11/75/348211175.db2.gz SNHPAQFAKAZPQW-BDAKNGLRSA-N 1 0 226.280 -0.472 20 30 BBEDRO C[NH2+]C[C@H](C)NC(=O)N1CCO[C@H](C#N)C1 ZINC000595275955 348211256 /nfs/dbraw/zinc/21/12/56/348211256.db2.gz SNHPAQFAKAZPQW-DTWKUNHWSA-N 1 0 226.280 -0.472 20 30 BBEDRO C[NH2+]C[C@H](C)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000595275956 348211305 /nfs/dbraw/zinc/21/13/05/348211305.db2.gz SNHPAQFAKAZPQW-IUCAKERBSA-N 1 0 226.280 -0.472 20 30 BBEDRO C[NH2+]C[C@@H](C)NC(=O)N1CCO[C@H](C#N)C1 ZINC000595275957 348211217 /nfs/dbraw/zinc/21/12/17/348211217.db2.gz SNHPAQFAKAZPQW-RKDXNWHRSA-N 1 0 226.280 -0.472 20 30 BBEDRO C=CCCSCCNC(=O)C(=O)NCC[NH3+] ZINC000595281243 348211760 /nfs/dbraw/zinc/21/17/60/348211760.db2.gz FFNCFOSKFROQFN-UHFFFAOYSA-N 1 0 245.348 -0.513 20 30 BBEDRO CC(C)[N@H+](C)C[C@H](O)CN1CCOC[C@H]1C#N ZINC000595386323 397989154 /nfs/dbraw/zinc/98/91/54/397989154.db2.gz PWQLMMNFIVITAS-NEPJUHHUSA-N 1 0 241.335 -0.088 20 30 BBEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCOC[C@@H]1C#N ZINC000595386324 397988965 /nfs/dbraw/zinc/98/89/65/397988965.db2.gz PWQLMMNFIVITAS-NWDGAFQWSA-N 1 0 241.335 -0.088 20 30 BBEDRO CC(C)[N@H+](C)C[C@H](O)CN1CCOC[C@@H]1C#N ZINC000595386325 397988858 /nfs/dbraw/zinc/98/88/58/397988858.db2.gz PWQLMMNFIVITAS-RYUDHWBXSA-N 1 0 241.335 -0.088 20 30 BBEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCOC[C@H]1C#N ZINC000595386326 397989088 /nfs/dbraw/zinc/98/90/88/397989088.db2.gz PWQLMMNFIVITAS-VXGBXAGGSA-N 1 0 241.335 -0.088 20 30 BBEDRO N#CCNC(=O)C[NH2+]C1(CCO)CCCC1 ZINC000595509736 348265899 /nfs/dbraw/zinc/26/58/99/348265899.db2.gz UQRQIHJYQASRAV-UHFFFAOYSA-N 1 0 225.292 -0.089 20 30 BBEDRO N#CCCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000595523721 348270495 /nfs/dbraw/zinc/27/04/95/348270495.db2.gz LCPRALSHSRARIA-NXEZZACHSA-N 1 0 223.276 -0.121 20 30 BBEDRO N#CCCC[N@@H+](CCO)CCOCCO ZINC000595541541 348276939 /nfs/dbraw/zinc/27/69/39/348276939.db2.gz UGTDDJZWXWMTSE-UHFFFAOYSA-N 1 0 216.281 -0.407 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000595617355 348289786 /nfs/dbraw/zinc/28/97/86/348289786.db2.gz SBHMIUGDFFBFHJ-SECBINFHSA-N 1 0 211.265 -0.623 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000595617362 348289781 /nfs/dbraw/zinc/28/97/81/348289781.db2.gz SBHMIUGDFFBFHJ-VIFPVBQESA-N 1 0 211.265 -0.623 20 30 BBEDRO C=CCN(CC(=O)NC(=O)NC)[C@H](C)COC ZINC000595648888 348296195 /nfs/dbraw/zinc/29/61/95/348296195.db2.gz VRIKTLCAGUDCSI-SECBINFHSA-N 1 0 243.307 -0.035 20 30 BBEDRO C=CCN(CC(=O)NC(=O)NC)[C@@H](C)COC ZINC000595648890 348296274 /nfs/dbraw/zinc/29/62/74/348296274.db2.gz VRIKTLCAGUDCSI-VIFPVBQESA-N 1 0 243.307 -0.035 20 30 BBEDRO C=CCN(CC(=O)NC(N)=O)[C@H](C)COC ZINC000595649103 348296558 /nfs/dbraw/zinc/29/65/58/348296558.db2.gz ZTRLOIBGQBVXMO-MRVPVSSYSA-N 1 0 229.280 -0.296 20 30 BBEDRO C=CCN(CC(=O)NC(N)=O)[C@@H](C)COC ZINC000595649105 348296425 /nfs/dbraw/zinc/29/64/25/348296425.db2.gz ZTRLOIBGQBVXMO-QMMMGPOBSA-N 1 0 229.280 -0.296 20 30 BBEDRO COCC#CC[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595665400 348301883 /nfs/dbraw/zinc/30/18/83/348301883.db2.gz ZASRAURJQXEHHE-ZJUUUORDSA-N 1 0 227.260 -0.444 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC000595670509 348308965 /nfs/dbraw/zinc/30/89/65/348308965.db2.gz VMXANRQGSHPKPK-WCBMZHEXSA-N 1 0 242.275 -0.791 20 30 BBEDRO C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)NCC#N)C2 ZINC000595687861 348313060 /nfs/dbraw/zinc/31/30/60/348313060.db2.gz DNWMOHDTUPLOOD-TXEJJXNPSA-N 1 0 237.303 -0.015 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748556 348339899 /nfs/dbraw/zinc/33/98/99/348339899.db2.gz ADXCUGFHAZKNLO-GFCCVEGCSA-N 1 0 237.303 -0.137 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748560 348341316 /nfs/dbraw/zinc/34/13/16/348341316.db2.gz ADXCUGFHAZKNLO-LBPRGKRZSA-N 1 0 237.303 -0.137 20 30 BBEDRO C[C@H]1C[NH+](CC(=O)NCC#N)C[C@H](C)C1O ZINC000595750635 348340839 /nfs/dbraw/zinc/34/08/39/348340839.db2.gz RKMWYMPJZMWXTG-IUCAKERBSA-N 1 0 225.292 -0.425 20 30 BBEDRO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H](C)[C@H]1O ZINC000595750636 348341418 /nfs/dbraw/zinc/34/14/18/348341418.db2.gz RKMWYMPJZMWXTG-JZYVYDRUSA-N 1 0 225.292 -0.425 20 30 BBEDRO C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@@H](C)C1O ZINC000595750637 348341203 /nfs/dbraw/zinc/34/12/03/348341203.db2.gz RKMWYMPJZMWXTG-RKDXNWHRSA-N 1 0 225.292 -0.425 20 30 BBEDRO C[C@@]12COC[C@@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC000595758951 348332093 /nfs/dbraw/zinc/33/20/93/348332093.db2.gz NTHULPGKAALWHP-GXSJLCMTSA-N 1 0 223.276 -0.406 20 30 BBEDRO C[C@]12COC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC000595758958 348332006 /nfs/dbraw/zinc/33/20/06/348332006.db2.gz NTHULPGKAALWHP-KOLCDFICSA-N 1 0 223.276 -0.406 20 30 BBEDRO C[C@@]12COC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC000595758960 348331621 /nfs/dbraw/zinc/33/16/21/348331621.db2.gz NTHULPGKAALWHP-MWLCHTKSSA-N 1 0 223.276 -0.406 20 30 BBEDRO C[C@]12COC[C@@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC000595758961 348332235 /nfs/dbraw/zinc/33/22/35/348332235.db2.gz NTHULPGKAALWHP-ONGXEEELSA-N 1 0 223.276 -0.406 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595777803 348339626 /nfs/dbraw/zinc/33/96/26/348339626.db2.gz KGUNLZLJXXTPPF-BDAKNGLRSA-N 1 0 223.276 -0.481 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595777804 348339531 /nfs/dbraw/zinc/33/95/31/348339531.db2.gz KGUNLZLJXXTPPF-DTWKUNHWSA-N 1 0 223.276 -0.481 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595777805 348339751 /nfs/dbraw/zinc/33/97/51/348339751.db2.gz KGUNLZLJXXTPPF-IUCAKERBSA-N 1 0 223.276 -0.481 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595777806 348339384 /nfs/dbraw/zinc/33/93/84/348339384.db2.gz KGUNLZLJXXTPPF-RKDXNWHRSA-N 1 0 223.276 -0.481 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595829394 348364733 /nfs/dbraw/zinc/36/47/33/348364733.db2.gz HNTGYFQKKHAMNO-NXEZZACHSA-N 1 0 223.276 -0.406 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595829395 348365018 /nfs/dbraw/zinc/36/50/18/348365018.db2.gz HNTGYFQKKHAMNO-UWVGGRQHSA-N 1 0 223.276 -0.406 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595829396 348365076 /nfs/dbraw/zinc/36/50/76/348365076.db2.gz HNTGYFQKKHAMNO-VHSXEESVSA-N 1 0 223.276 -0.406 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595829397 348365070 /nfs/dbraw/zinc/36/50/70/348365070.db2.gz HNTGYFQKKHAMNO-ZJUUUORDSA-N 1 0 223.276 -0.406 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C=C)CO ZINC000595863331 348383577 /nfs/dbraw/zinc/38/35/77/348383577.db2.gz CFZMTXDMJYLRFW-MRVPVSSYSA-N 1 0 227.264 -0.865 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCC(=O)N(C)CC(=O)OC ZINC000595863344 348383845 /nfs/dbraw/zinc/38/38/45/348383845.db2.gz CPSQINHSQCHCFQ-SECBINFHSA-N 1 0 244.291 -0.856 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000595863382 348383686 /nfs/dbraw/zinc/38/36/86/348383686.db2.gz FFMCQBLUOCNMKZ-MRVPVSSYSA-N 1 0 226.236 -0.072 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC000595863443 348383728 /nfs/dbraw/zinc/38/37/28/348383728.db2.gz GXXAINSHGNFOIS-HTQZYQBOSA-N 1 0 229.280 -0.643 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC000595863444 348383574 /nfs/dbraw/zinc/38/35/74/348383574.db2.gz GXXAINSHGNFOIS-JGVFFNPUSA-N 1 0 229.280 -0.643 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@](C)(O)C(=O)OCC ZINC000595863692 348383568 /nfs/dbraw/zinc/38/35/68/348383568.db2.gz ILHKKSTXKNJSRN-PSASIEDQSA-N 1 0 217.265 -0.563 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@](C)(O)C(=O)OCC ZINC000595863704 348383754 /nfs/dbraw/zinc/38/37/54/348383754.db2.gz ILHKKSTXKNJSRN-SCZZXKLOSA-N 1 0 217.265 -0.563 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC000595863786 348383851 /nfs/dbraw/zinc/38/38/51/348383851.db2.gz JHGZNFHVCCLTSG-HTQZYQBOSA-N 1 0 241.291 -0.500 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000595863791 348383871 /nfs/dbraw/zinc/38/38/71/348383871.db2.gz JHGZNFHVCCLTSG-JGVFFNPUSA-N 1 0 241.291 -0.500 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NC(=O)NCC(C)C ZINC000595863851 348383815 /nfs/dbraw/zinc/38/38/15/348383815.db2.gz JXTJJGWLDPXKMD-SECBINFHSA-N 1 0 243.307 -0.395 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NC(=O)NCCCC ZINC000595863857 348383652 /nfs/dbraw/zinc/38/36/52/348383652.db2.gz KCYRUVYTPZQTTD-SECBINFHSA-N 1 0 243.307 -0.251 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000595863901 348383591 /nfs/dbraw/zinc/38/35/91/348383591.db2.gz KLFIHFNIWNBCRV-NXEZZACHSA-N 1 0 225.292 -0.117 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000595863902 348383676 /nfs/dbraw/zinc/38/36/76/348383676.db2.gz KLFIHFNIWNBCRV-VHSXEESVSA-N 1 0 225.292 -0.117 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@](C)(O)C(=O)OC ZINC000595863906 348383804 /nfs/dbraw/zinc/38/38/04/348383804.db2.gz KQLWGSRVVDEHMS-APPZFPTMSA-N 1 0 203.238 -0.953 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@](C)(O)C(=O)OC ZINC000595863910 348383751 /nfs/dbraw/zinc/38/37/51/348383751.db2.gz KQLWGSRVVDEHMS-VXNVDRBHSA-N 1 0 203.238 -0.953 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C=C)CO ZINC000595863958 348383859 /nfs/dbraw/zinc/38/38/59/348383859.db2.gz LOLNCJKCSGXJBQ-DTWKUNHWSA-N 1 0 241.291 -0.477 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C=C)CO ZINC000595863959 348383798 /nfs/dbraw/zinc/38/37/98/348383798.db2.gz LOLNCJKCSGXJBQ-RKDXNWHRSA-N 1 0 241.291 -0.477 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000595863971 348383847 /nfs/dbraw/zinc/38/38/47/348383847.db2.gz MBVBQYKPCZXYOY-PWSUYJOCSA-N 1 0 237.303 -0.069 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000595863972 348383637 /nfs/dbraw/zinc/38/36/37/348383637.db2.gz MBVBQYKPCZXYOY-ZYHUDNBSSA-N 1 0 237.303 -0.069 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCCC(=O)NC(N)=O ZINC000595864050 348383586 /nfs/dbraw/zinc/38/35/86/348383586.db2.gz NUBPGEUUHDVGOH-SSDOTTSWSA-N 1 0 215.253 -0.902 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000595864106 348383667 /nfs/dbraw/zinc/38/36/67/348383667.db2.gz QGHOOKWYUUBMFE-SSDOTTSWSA-N 1 0 227.264 -0.889 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595864108 348383781 /nfs/dbraw/zinc/38/37/81/348383781.db2.gz QIUQELQULYADGF-MRVPVSSYSA-N 1 0 226.236 -0.072 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000595864135 348383615 /nfs/dbraw/zinc/38/36/15/348383615.db2.gz RQFGUXSDQVUAQL-MRVPVSSYSA-N 1 0 243.307 -0.253 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N(C)CC(=O)OCC ZINC000595864138 348383837 /nfs/dbraw/zinc/38/38/37/348383837.db2.gz RZQZZEGIJHHXER-SECBINFHSA-N 1 0 244.291 -0.856 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCC(=O)N(C)CCC#N ZINC000595864141 348383777 /nfs/dbraw/zinc/38/37/77/348383777.db2.gz SMZOXOREOIAEQT-SNVBAGLBSA-N 1 0 225.292 -0.115 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000595864143 348383774 /nfs/dbraw/zinc/38/37/74/348383774.db2.gz SOIKIYACKQYZCG-SECBINFHSA-N 1 0 223.276 -0.315 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N(CC)CCC#N ZINC000595864165 348383882 /nfs/dbraw/zinc/38/38/82/348383882.db2.gz UYLWEURYEAAMDN-SNVBAGLBSA-N 1 0 225.292 -0.115 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC000595864250 348384559 /nfs/dbraw/zinc/38/45/59/348384559.db2.gz WTBGVJUTBUZDSL-DTWKUNHWSA-N 1 0 243.307 -0.254 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC000595864255 348384526 /nfs/dbraw/zinc/38/45/26/348384526.db2.gz WTBGVJUTBUZDSL-RKDXNWHRSA-N 1 0 243.307 -0.254 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NC(=O)NCCC ZINC000595864263 348384802 /nfs/dbraw/zinc/38/48/02/348384802.db2.gz WVWXXPZGWZQTET-MRVPVSSYSA-N 1 0 229.280 -0.641 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCOCC(=O)OCC ZINC000595871933 348386217 /nfs/dbraw/zinc/38/62/17/348386217.db2.gz AHGCVQDPBTYLPC-SECBINFHSA-N 1 0 217.265 -0.297 20 30 BBEDRO C[C@H]1C[N@H+](CC(=O)NCC#N)C[C@]1(C)CO ZINC000595878845 348387765 /nfs/dbraw/zinc/38/77/65/348387765.db2.gz VPXDQSJMZINVJI-GXSJLCMTSA-N 1 0 225.292 -0.424 20 30 BBEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@@]1(C)CO ZINC000595878846 348387814 /nfs/dbraw/zinc/38/78/14/348387814.db2.gz VPXDQSJMZINVJI-KOLCDFICSA-N 1 0 225.292 -0.424 20 30 BBEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@]1(C)CO ZINC000595878847 348387799 /nfs/dbraw/zinc/38/77/99/348387799.db2.gz VPXDQSJMZINVJI-MWLCHTKSSA-N 1 0 225.292 -0.424 20 30 BBEDRO C[C@H]1C[N@H+](CC(=O)NCC#N)C[C@@]1(C)CO ZINC000595878848 348387952 /nfs/dbraw/zinc/38/79/52/348387952.db2.gz VPXDQSJMZINVJI-ONGXEEELSA-N 1 0 225.292 -0.424 20 30 BBEDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000595902293 348394351 /nfs/dbraw/zinc/39/43/51/348394351.db2.gz CXEKFIDWIKQYJR-BDAKNGLRSA-N 1 0 239.275 -0.443 20 30 BBEDRO C=CCNC(=O)NC(=O)CN(C)CC(C)(C)[NH3+] ZINC000595903190 348395120 /nfs/dbraw/zinc/39/51/20/348395120.db2.gz UGELLJCSNKPGFH-UHFFFAOYSA-N 1 0 242.323 -0.333 20 30 BBEDRO N#Cc1ccc(CN(CC[NH3+])C[C@@H](O)CO)cc1 ZINC000595903577 348395504 /nfs/dbraw/zinc/39/55/04/348395504.db2.gz XXIOINQIEPUZAB-CYBMUJFWSA-N 1 0 249.314 -0.328 20 30 BBEDRO N#Cc1ccc(CN(CC[NH3+])C[C@H](O)CO)cc1 ZINC000595903578 348395156 /nfs/dbraw/zinc/39/51/56/348395156.db2.gz XXIOINQIEPUZAB-ZDUSSCGKSA-N 1 0 249.314 -0.328 20 30 BBEDRO C=CC[C@]1(C(=O)NCC(=O)OC)CCC[NH2+]1 ZINC000595928663 348392538 /nfs/dbraw/zinc/39/25/38/348392538.db2.gz CTJMZNMFARFRPZ-LLVKDONJSA-N 1 0 226.276 -0.026 20 30 BBEDRO C=CC[C@@]1(C(=O)NCC(=O)OC)CCC[NH2+]1 ZINC000595928664 348392442 /nfs/dbraw/zinc/39/24/42/348392442.db2.gz CTJMZNMFARFRPZ-NSHDSACASA-N 1 0 226.276 -0.026 20 30 BBEDRO CC[C@@H]([NH2+]C)C(=O)Nc1n[nH]cc1C#N ZINC000595932807 411730294 /nfs/dbraw/zinc/73/02/94/411730294.db2.gz RMCVUBLHVOMSMS-SSDOTTSWSA-N 1 0 207.237 0.218 20 30 BBEDRO CC[C@H]([NH2+]C)C(=O)Nc1n[nH]cc1C#N ZINC000595932808 411753210 /nfs/dbraw/zinc/75/32/10/411753210.db2.gz RMCVUBLHVOMSMS-ZETCQYMHSA-N 1 0 207.237 0.218 20 30 BBEDRO C=CCCNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000595938987 348409560 /nfs/dbraw/zinc/40/95/60/348409560.db2.gz CIODEGVZYFVMSX-MRVPVSSYSA-N 1 0 214.265 -0.041 20 30 BBEDRO C=CCCNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000595938988 348409740 /nfs/dbraw/zinc/40/97/40/348409740.db2.gz CIODEGVZYFVMSX-QMMMGPOBSA-N 1 0 214.265 -0.041 20 30 BBEDRO C=CCCSCCNC(=O)CNC(=O)C[NH3+] ZINC000595939188 348409299 /nfs/dbraw/zinc/40/92/99/348409299.db2.gz GSJTUMDDNSHVLD-UHFFFAOYSA-N 1 0 245.348 -0.513 20 30 BBEDRO C=CCCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000595940910 348409474 /nfs/dbraw/zinc/40/94/74/348409474.db2.gz WAPASBJXCWPCHN-ZETCQYMHSA-N 1 0 200.238 -0.431 20 30 BBEDRO C=CCOCCCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000595945337 348411509 /nfs/dbraw/zinc/41/15/09/348411509.db2.gz LVEWGCVQLRQCJR-VIFPVBQESA-N 1 0 244.291 -0.414 20 30 BBEDRO C=CCOCCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000595946682 348411786 /nfs/dbraw/zinc/41/17/86/348411786.db2.gz MWZUVWYIAOFBFT-QMMMGPOBSA-N 1 0 230.264 -0.804 20 30 BBEDRO C=CCOCCNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000595949272 348402924 /nfs/dbraw/zinc/40/29/24/348402924.db2.gz WFDFRZDQAHDYIC-SECBINFHSA-N 1 0 244.291 -0.414 20 30 BBEDRO C=CCOCCNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000595949273 348402916 /nfs/dbraw/zinc/40/29/16/348402916.db2.gz WFDFRZDQAHDYIC-VIFPVBQESA-N 1 0 244.291 -0.414 20 30 BBEDRO N#Cc1cccc2c1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000595958734 348404718 /nfs/dbraw/zinc/40/47/18/348404718.db2.gz GXYTUIQIVLGCBM-UHFFFAOYSA-N 1 0 243.266 -0.265 20 30 BBEDRO N#Cc1ccc2c(c1)CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000595959026 348404661 /nfs/dbraw/zinc/40/46/61/348404661.db2.gz LJOIIPKZAUQODV-UHFFFAOYSA-N 1 0 243.266 -0.265 20 30 BBEDRO CN(CC(C)(C)[NH3+])C(=O)Cn1cnc(C#N)n1 ZINC000595960340 348405592 /nfs/dbraw/zinc/40/55/92/348405592.db2.gz COXPRIHZWNXMQH-UHFFFAOYSA-N 1 0 236.279 -0.655 20 30 BBEDRO C=CCCSCCNC(=O)C1(O)C[NH2+]C1 ZINC000595961131 348405537 /nfs/dbraw/zinc/40/55/37/348405537.db2.gz PMGAGQIUVUXOGN-UHFFFAOYSA-N 1 0 230.333 -0.254 20 30 BBEDRO N#Cc1ccc(CCNC(=O)C2(O)C[NH2+]C2)cc1 ZINC000595963406 348406275 /nfs/dbraw/zinc/40/62/75/348406275.db2.gz RNLFCXZJEXLNIR-UHFFFAOYSA-N 1 0 245.282 -0.449 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000595963582 348406222 /nfs/dbraw/zinc/40/62/22/348406222.db2.gz NNTYTUZKQAKXFZ-JGVFFNPUSA-N 1 0 209.249 -0.871 20 30 BBEDRO N#CCc1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1 ZINC000595965105 348406158 /nfs/dbraw/zinc/40/61/58/348406158.db2.gz XAIBQUDQGYRYHT-UHFFFAOYSA-N 1 0 245.282 -0.297 20 30 BBEDRO N#Cc1ncn(CC(=O)NCC2([NH3+])CCCC2)n1 ZINC000595967578 348406814 /nfs/dbraw/zinc/40/68/14/348406814.db2.gz VYCNRNUZAVIQCP-UHFFFAOYSA-N 1 0 248.290 -0.463 20 30 BBEDRO COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@](C)(C#N)C1 ZINC000595980932 348415858 /nfs/dbraw/zinc/41/58/58/348415858.db2.gz LMYSZLQPOSLQAL-GZMMTYOYSA-N 1 0 239.275 -0.361 20 30 BBEDRO COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980933 348416010 /nfs/dbraw/zinc/41/60/10/348416010.db2.gz LMYSZLQPOSLQAL-KWQFWETISA-N 1 0 239.275 -0.361 20 30 BBEDRO COCC[NH2+]CC(=O)N1CC[C@](C)(C#N)C1 ZINC000595980940 348416026 /nfs/dbraw/zinc/41/60/26/348416026.db2.gz LPRGJJPHBSFVGT-LLVKDONJSA-N 1 0 225.292 -0.015 20 30 BBEDRO COCC[NH2+]CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980941 348415746 /nfs/dbraw/zinc/41/57/46/348415746.db2.gz LPRGJJPHBSFVGT-NSHDSACASA-N 1 0 225.292 -0.015 20 30 BBEDRO CN(CC[NH3+])C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595981908 348416932 /nfs/dbraw/zinc/41/69/32/348416932.db2.gz GUCBAVBPEOAXPL-LLVKDONJSA-N 1 0 238.291 -0.834 20 30 BBEDRO CN(CC[NH3+])C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981913 348416585 /nfs/dbraw/zinc/41/65/85/348416585.db2.gz GUCBAVBPEOAXPL-NSHDSACASA-N 1 0 238.291 -0.834 20 30 BBEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000595982405 348417747 /nfs/dbraw/zinc/41/77/47/348417747.db2.gz UNIMVTUKGGUYOZ-GXSJLCMTSA-N 1 0 223.276 -0.263 20 30 BBEDRO C[C@@]1(C#N)CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000595982406 348417623 /nfs/dbraw/zinc/41/76/23/348417623.db2.gz UNIMVTUKGGUYOZ-KOLCDFICSA-N 1 0 223.276 -0.263 20 30 BBEDRO C[C@]1(C#N)CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000595982407 348417243 /nfs/dbraw/zinc/41/72/43/348417243.db2.gz UNIMVTUKGGUYOZ-MWLCHTKSSA-N 1 0 223.276 -0.263 20 30 BBEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000595982408 348417847 /nfs/dbraw/zinc/41/78/47/348417847.db2.gz UNIMVTUKGGUYOZ-ONGXEEELSA-N 1 0 223.276 -0.263 20 30 BBEDRO C[C@]1(C#N)CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000595982463 348417565 /nfs/dbraw/zinc/41/75/65/348417565.db2.gz VOVLDOPZLQWQHI-SECBINFHSA-N 1 0 209.249 -0.917 20 30 BBEDRO C[C@@]1(C#N)CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000595982464 348417382 /nfs/dbraw/zinc/41/73/82/348417382.db2.gz VOVLDOPZLQWQHI-VIFPVBQESA-N 1 0 209.249 -0.917 20 30 BBEDRO C[C@@]1(C#N)CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000595982477 348417338 /nfs/dbraw/zinc/41/73/38/348417338.db2.gz VXXXSSMYYNFCDA-DRZSPHRISA-N 1 0 249.314 -0.015 20 30 BBEDRO C[C@]1(C#N)CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000595982478 348417207 /nfs/dbraw/zinc/41/72/07/348417207.db2.gz VXXXSSMYYNFCDA-UHTWSYAYSA-N 1 0 249.314 -0.015 20 30 BBEDRO C[C@@]1(C#N)CCN(C(=O)COCC[NH3+])C1 ZINC000595983196 348418275 /nfs/dbraw/zinc/41/82/75/348418275.db2.gz ZPSBTWWHOWQPRJ-JTQLQIEISA-N 1 0 211.265 -0.276 20 30 BBEDRO C[C@]1(C#N)CCN(C(=O)COCC[NH3+])C1 ZINC000595983197 348418023 /nfs/dbraw/zinc/41/80/23/348418023.db2.gz ZPSBTWWHOWQPRJ-SNVBAGLBSA-N 1 0 211.265 -0.276 20 30 BBEDRO N#Cc1ccc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1N ZINC000596012947 412274194 /nfs/dbraw/zinc/27/41/94/412274194.db2.gz CWKLMJFANKGXGY-MBTKJCJQSA-N 1 0 215.260 0.165 20 30 BBEDRO N#Cc1ccc(N[C@H]2CC[NH2+]C2)nc1N ZINC000596014859 412274481 /nfs/dbraw/zinc/27/44/81/412274481.db2.gz UUAUTALIGUFUTD-QMMMGPOBSA-N 1 0 203.249 0.309 20 30 BBEDRO N#Cc1ccc(N2CC[NH2+]CC2)nc1N ZINC000596016028 348430574 /nfs/dbraw/zinc/43/05/74/348430574.db2.gz NKBVXJBUDCGDLS-UHFFFAOYSA-N 1 0 203.249 -0.055 20 30 BBEDRO N#Cc1ccc(N[C@@H]2CC[NH2+]C2)nc1N ZINC000596016799 412274405 /nfs/dbraw/zinc/27/44/05/412274405.db2.gz UUAUTALIGUFUTD-MRVPVSSYSA-N 1 0 203.249 0.309 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596052044 348433039 /nfs/dbraw/zinc/43/30/39/348433039.db2.gz ZQOFBVSPMYRBBO-SECBINFHSA-N 1 0 246.336 -0.582 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596052045 348433133 /nfs/dbraw/zinc/43/31/33/348433133.db2.gz ZQOFBVSPMYRBBO-VIFPVBQESA-N 1 0 246.336 -0.582 20 30 BBEDRO Cn1ncc(C#N)c1NCCN1CC[NH+](C)CC1 ZINC000596063442 348435865 /nfs/dbraw/zinc/43/58/65/348435865.db2.gz SAWWSYZMUFULLD-UHFFFAOYSA-N 1 0 248.334 -0.049 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CCC(=O)OCC ZINC000596065701 348436481 /nfs/dbraw/zinc/43/64/81/348436481.db2.gz JOIJSTGUWCYUGQ-NXEZZACHSA-N 1 0 231.292 -0.173 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CCC(=O)OCC ZINC000596065714 348436890 /nfs/dbraw/zinc/43/68/90/348436890.db2.gz JOIJSTGUWCYUGQ-ZJUUUORDSA-N 1 0 231.292 -0.173 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000596065762 348436591 /nfs/dbraw/zinc/43/65/91/348436591.db2.gz JZEYMIBXRLINHU-GHMZBOCLSA-N 1 0 227.308 -0.671 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000596065771 348437018 /nfs/dbraw/zinc/43/70/18/348437018.db2.gz JZEYMIBXRLINHU-MNOVXSKESA-N 1 0 227.308 -0.671 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1C[C@H](O)C1 ZINC000596066282 348436666 /nfs/dbraw/zinc/43/66/66/348436666.db2.gz BELPNDGRPRBDPO-DCAQKATOSA-N 1 0 227.308 -0.694 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1C[C@H](O)C1 ZINC000596066283 348436800 /nfs/dbraw/zinc/43/68/00/348436800.db2.gz BELPNDGRPRBDPO-GMTAPVOTSA-N 1 0 227.308 -0.694 20 30 BBEDRO Cn1ncc(C#N)c1N1CCC[N@H+](CCO)CC1 ZINC000596113154 388404428 /nfs/dbraw/zinc/40/44/28/388404428.db2.gz OHLMOCVFAHWODQ-UHFFFAOYSA-N 1 0 249.318 -0.204 20 30 BBEDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C#N)cnn2)C1 ZINC000596121914 412367624 /nfs/dbraw/zinc/36/76/24/412367624.db2.gz NFVFPGFNIJOGFA-LLVKDONJSA-N 1 0 247.302 0.481 20 30 BBEDRO COCC[N@@H+]1CC[C@H](Nc2cc(C#N)cnn2)C1 ZINC000596121916 412368313 /nfs/dbraw/zinc/36/83/13/412368313.db2.gz NFVFPGFNIJOGFA-NSHDSACASA-N 1 0 247.302 0.481 20 30 BBEDRO COC[C@@](C)([NH3+])CNc1cc(C#N)cnn1 ZINC000596127742 411645593 /nfs/dbraw/zinc/64/55/93/411645593.db2.gz CUPXFNGMDYJZJB-JTQLQIEISA-N 1 0 221.264 0.124 20 30 BBEDRO COC[C@](C)([NH3+])CNc1cc(C#N)cnn1 ZINC000596127743 411654672 /nfs/dbraw/zinc/65/46/72/411654672.db2.gz CUPXFNGMDYJZJB-SNVBAGLBSA-N 1 0 221.264 0.124 20 30 BBEDRO N#Cc1cnnc(NCC[NH+]2CCC2)c1 ZINC000596175511 412280013 /nfs/dbraw/zinc/28/00/13/412280013.db2.gz SGYGDTCQKCUWKN-UHFFFAOYSA-N 1 0 203.249 0.466 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2cc(C#N)cnn2)C1 ZINC000596197887 412256194 /nfs/dbraw/zinc/25/61/94/412256194.db2.gz MTLDGJBJDREDRM-LLVKDONJSA-N 1 0 233.275 -0.173 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2cc(C#N)cnn2)C1 ZINC000596197888 412257609 /nfs/dbraw/zinc/25/76/09/412257609.db2.gz MTLDGJBJDREDRM-NSHDSACASA-N 1 0 233.275 -0.173 20 30 BBEDRO N#Cc1cnnc(NCC[N@@H+]2CCCOCC2)c1 ZINC000596202139 412279235 /nfs/dbraw/zinc/27/92/35/412279235.db2.gz BPZWMUTVPMRNQK-UHFFFAOYSA-N 1 0 247.302 0.482 20 30 BBEDRO C[NH+](C)C[C@H](CO)Nc1cncc(C#N)n1 ZINC000596240842 348484665 /nfs/dbraw/zinc/48/46/65/348484665.db2.gz AFSRVUUYSUKESZ-SECBINFHSA-N 1 0 221.264 -0.317 20 30 BBEDRO C[NH+](C)C[C@@H](CO)Nc1cncc(C#N)n1 ZINC000596240843 348484356 /nfs/dbraw/zinc/48/43/56/348484356.db2.gz AFSRVUUYSUKESZ-VIFPVBQESA-N 1 0 221.264 -0.317 20 30 BBEDRO C[NH+](C)[C@H]1CN(c2cc(C#N)cnn2)C[C@@H]1O ZINC000596241323 348484833 /nfs/dbraw/zinc/48/48/33/348484833.db2.gz CZRJBWPMEYDZID-UWVGGRQHSA-N 1 0 233.275 -0.541 20 30 BBEDRO C[NH+](C)C[C@@H](CO)Nc1ccncc1C#N ZINC000596242941 348485223 /nfs/dbraw/zinc/48/52/23/348485223.db2.gz GOVUCHIRMIVZLF-JTQLQIEISA-N 1 0 220.276 -0.290 20 30 BBEDRO C[NH+](C)C[C@H](CO)Nc1ccncc1C#N ZINC000596242942 348485100 /nfs/dbraw/zinc/48/51/00/348485100.db2.gz GOVUCHIRMIVZLF-SNVBAGLBSA-N 1 0 220.276 -0.290 20 30 BBEDRO C[NH+](C)C[C@H](CO)Nc1ncncc1C#N ZINC000596242946 348485119 /nfs/dbraw/zinc/48/51/19/348485119.db2.gz GQAPLMRTNCCCPJ-SECBINFHSA-N 1 0 221.264 -0.895 20 30 BBEDRO C[NH+](C)C[C@@H](CO)Nc1ncncc1C#N ZINC000596242947 348485143 /nfs/dbraw/zinc/48/51/43/348485143.db2.gz GQAPLMRTNCCCPJ-VIFPVBQESA-N 1 0 221.264 -0.895 20 30 BBEDRO CCc1nc(C#N)cc(N[C@H](CO)C[NH+](C)C)n1 ZINC000596242989 411784853 /nfs/dbraw/zinc/78/48/53/411784853.db2.gz IDCCPOZTLMVKGE-JTQLQIEISA-N 1 0 249.318 0.245 20 30 BBEDRO CCc1nc(C#N)cc(N[C@@H](CO)C[NH+](C)C)n1 ZINC000596242990 411782266 /nfs/dbraw/zinc/78/22/66/411782266.db2.gz IDCCPOZTLMVKGE-SNVBAGLBSA-N 1 0 249.318 0.245 20 30 BBEDRO C[NH+](C)C[C@H](CO)Nc1ccnc(C#N)n1 ZINC000596244538 348485833 /nfs/dbraw/zinc/48/58/33/348485833.db2.gz RLYZLERJIKFKDC-MRVPVSSYSA-N 1 0 221.264 -0.895 20 30 BBEDRO C[NH+](C)C[C@@H](CO)Nc1ccnc(C#N)n1 ZINC000596244539 348485805 /nfs/dbraw/zinc/48/58/05/348485805.db2.gz RLYZLERJIKFKDC-QMMMGPOBSA-N 1 0 221.264 -0.895 20 30 BBEDRO Cc1cc(C#N)nc(N[C@H](CO)C[NH+](C)C)n1 ZINC000596244592 348486059 /nfs/dbraw/zinc/48/60/59/348486059.db2.gz SGRSIQDPEJWJHH-JTQLQIEISA-N 1 0 235.291 -0.009 20 30 BBEDRO Cc1cc(C#N)nc(N[C@@H](CO)C[NH+](C)C)n1 ZINC000596244594 348485902 /nfs/dbraw/zinc/48/59/02/348485902.db2.gz SGRSIQDPEJWJHH-SNVBAGLBSA-N 1 0 235.291 -0.009 20 30 BBEDRO C[NH+](C)C[C@H](CO)Nc1cc(C#N)ncn1 ZINC000596244981 348485720 /nfs/dbraw/zinc/48/57/20/348485720.db2.gz UBFVPTKLAKJHDO-SECBINFHSA-N 1 0 221.264 -0.317 20 30 BBEDRO C[NH+](C)C[C@@H](CO)Nc1cc(C#N)ncn1 ZINC000596244982 348485968 /nfs/dbraw/zinc/48/59/68/348485968.db2.gz UBFVPTKLAKJHDO-VIFPVBQESA-N 1 0 221.264 -0.317 20 30 BBEDRO C[NH+](C)C[C@H](CO)Nc1cc(C#N)cnn1 ZINC000596245314 412182619 /nfs/dbraw/zinc/18/26/19/412182619.db2.gz XMJMVMNSFLTTOH-SECBINFHSA-N 1 0 221.264 -0.317 20 30 BBEDRO C[NH+](C)C[C@@H](CO)Nc1cc(C#N)cnn1 ZINC000596245315 412182249 /nfs/dbraw/zinc/18/22/49/412182249.db2.gz XMJMVMNSFLTTOH-VIFPVBQESA-N 1 0 221.264 -0.317 20 30 BBEDRO C[C@H]1C[N@H+](CCO)CCN1c1ccc(C#N)nn1 ZINC000596264821 348479251 /nfs/dbraw/zinc/47/92/51/348479251.db2.gz DXOBUMYHUGFELD-JTQLQIEISA-N 1 0 247.302 -0.149 20 30 BBEDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccc(C#N)nn1 ZINC000596264824 348479481 /nfs/dbraw/zinc/47/94/81/348479481.db2.gz DXOBUMYHUGFELD-SNVBAGLBSA-N 1 0 247.302 -0.149 20 30 BBEDRO Cn1ncc(C#N)c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000596297705 348490787 /nfs/dbraw/zinc/49/07/87/348490787.db2.gz GHIPRRUPQNYDOB-WDEREUQCSA-N 1 0 247.302 -0.453 20 30 BBEDRO C[C@@H](C#N)CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000596548704 348585822 /nfs/dbraw/zinc/58/58/22/348585822.db2.gz BRLFNMGWNQKKFQ-GUBZILKMSA-N 1 0 240.307 -0.538 20 30 BBEDRO C[C@H](C#N)CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000596548705 348585730 /nfs/dbraw/zinc/58/57/30/348585730.db2.gz BRLFNMGWNQKKFQ-UTLUCORTSA-N 1 0 240.307 -0.538 20 30 BBEDRO C[NH+](C)[C@H]1CN(C(=O)NCCCC#N)C[C@@H]1O ZINC000596554800 348577820 /nfs/dbraw/zinc/57/78/20/348577820.db2.gz MGSZGGKSPLHTBS-UWVGGRQHSA-N 1 0 240.307 -0.394 20 30 BBEDRO N#Cc1cccc(CN2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000596615668 348594051 /nfs/dbraw/zinc/59/40/51/348594051.db2.gz KEMCYRIPEZKLBC-NEPJUHHUSA-N 1 0 245.282 -0.021 20 30 BBEDRO N#Cc1ccccc1CN1C[C@H](O)C[C@H]1C(N)=O ZINC000596615820 348594237 /nfs/dbraw/zinc/59/42/37/348594237.db2.gz OVGRTZXHQBVYRA-NEPJUHHUSA-N 1 0 245.282 -0.021 20 30 BBEDRO N#Cc1ccc(CN2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000596615863 348593986 /nfs/dbraw/zinc/59/39/86/348593986.db2.gz PXIZAXFAIVDHGH-NEPJUHHUSA-N 1 0 245.282 -0.021 20 30 BBEDRO C=C[C@@H](O)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000597165629 348667322 /nfs/dbraw/zinc/66/73/22/348667322.db2.gz LNCOMPQUERECAJ-SECBINFHSA-N 1 0 223.276 -0.363 20 30 BBEDRO C=C[C@H](O)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000597165630 348667089 /nfs/dbraw/zinc/66/70/89/348667089.db2.gz LNCOMPQUERECAJ-VIFPVBQESA-N 1 0 223.276 -0.363 20 30 BBEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H](O)C2CC2)CC1 ZINC000597166238 348667798 /nfs/dbraw/zinc/66/77/98/348667798.db2.gz NOPUWFQXZWBYSU-JTQLQIEISA-N 1 0 237.303 -0.139 20 30 BBEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H](O)C2CC2)CC1 ZINC000597166239 348667938 /nfs/dbraw/zinc/66/79/38/348667938.db2.gz NOPUWFQXZWBYSU-SNVBAGLBSA-N 1 0 237.303 -0.139 20 30 BBEDRO C[NH+](C)C1(C(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000597169790 348668676 /nfs/dbraw/zinc/66/86/76/348668676.db2.gz YAVAHHILGHUORZ-SECBINFHSA-N 1 0 223.276 -0.168 20 30 BBEDRO C[NH+](C)C1(C(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000597169791 348668425 /nfs/dbraw/zinc/66/84/25/348668425.db2.gz YAVAHHILGHUORZ-VIFPVBQESA-N 1 0 223.276 -0.168 20 30 BBEDRO C[NH+](C)C1(C(=O)N2CCN(CC#N)CC2)CC1 ZINC000597272691 348705934 /nfs/dbraw/zinc/70/59/34/348705934.db2.gz CEIIQOXKRVDRGS-UHFFFAOYSA-N 1 0 236.319 -0.252 20 30 BBEDRO C[C@@H](CC#N)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000597433372 348735401 /nfs/dbraw/zinc/73/54/01/348735401.db2.gz JDDNRICEOIRPCS-GXSJLCMTSA-N 1 0 227.308 -0.035 20 30 BBEDRO C[C@H](CC#N)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000597433373 348735389 /nfs/dbraw/zinc/73/53/89/348735389.db2.gz JDDNRICEOIRPCS-KOLCDFICSA-N 1 0 227.308 -0.035 20 30 BBEDRO C[C@H](CC#N)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000597433374 348735093 /nfs/dbraw/zinc/73/50/93/348735093.db2.gz JDDNRICEOIRPCS-MWLCHTKSSA-N 1 0 227.308 -0.035 20 30 BBEDRO C[C@@H](CC#N)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000597433375 348735362 /nfs/dbraw/zinc/73/53/62/348735362.db2.gz JDDNRICEOIRPCS-ONGXEEELSA-N 1 0 227.308 -0.035 20 30 BBEDRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)CC#N ZINC000597518652 348749168 /nfs/dbraw/zinc/74/91/68/348749168.db2.gz ALRWKOWPTPSDPH-JTQLQIEISA-N 1 0 227.308 -0.033 20 30 BBEDRO CC[N@H+](CCO)CCNC(=O)[C@H](C)CC#N ZINC000597518655 348748759 /nfs/dbraw/zinc/74/87/59/348748759.db2.gz ALRWKOWPTPSDPH-SNVBAGLBSA-N 1 0 227.308 -0.033 20 30 BBEDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CC#N)C1 ZINC000597573973 348762276 /nfs/dbraw/zinc/76/22/76/348762276.db2.gz KOELOUXJFOKRIZ-LLVKDONJSA-N 1 0 225.292 -0.185 20 30 BBEDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CC#N)C1 ZINC000597573975 348762186 /nfs/dbraw/zinc/76/21/86/348762186.db2.gz KOELOUXJFOKRIZ-NSHDSACASA-N 1 0 225.292 -0.185 20 30 BBEDRO C[C@H](CC#N)C(=O)N[C@H](CO)C[NH+](C)C ZINC000597652399 348775306 /nfs/dbraw/zinc/77/53/06/348775306.db2.gz AVRQHEPLDDJFHP-BDAKNGLRSA-N 1 0 213.281 -0.425 20 30 BBEDRO C[C@@H](CC#N)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597652400 348775030 /nfs/dbraw/zinc/77/50/30/348775030.db2.gz AVRQHEPLDDJFHP-DTWKUNHWSA-N 1 0 213.281 -0.425 20 30 BBEDRO C[C@@H](CC#N)C(=O)N[C@H](CO)C[NH+](C)C ZINC000597652401 348774826 /nfs/dbraw/zinc/77/48/26/348774826.db2.gz AVRQHEPLDDJFHP-IUCAKERBSA-N 1 0 213.281 -0.425 20 30 BBEDRO C[C@H](CC#N)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597652402 348774901 /nfs/dbraw/zinc/77/49/01/348774901.db2.gz AVRQHEPLDDJFHP-RKDXNWHRSA-N 1 0 213.281 -0.425 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccnc(C#N)c1 ZINC000597652893 348775357 /nfs/dbraw/zinc/77/53/57/348775357.db2.gz FRVXUYGYFPKZTD-LLVKDONJSA-N 1 0 248.286 -0.394 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccnc(C#N)c1 ZINC000597652905 348776068 /nfs/dbraw/zinc/77/60/68/348776068.db2.gz FRVXUYGYFPKZTD-NSHDSACASA-N 1 0 248.286 -0.394 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(C#N)[nH]1 ZINC000597653013 348775817 /nfs/dbraw/zinc/77/58/17/348775817.db2.gz HIXUUUHXRRSMAM-SECBINFHSA-N 1 0 236.275 -0.461 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(C#N)[nH]1 ZINC000597653014 348775709 /nfs/dbraw/zinc/77/57/09/348775709.db2.gz HIXUUUHXRRSMAM-VIFPVBQESA-N 1 0 236.275 -0.461 20 30 BBEDRO CC1CC(C#N)(C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000597653893 348775768 /nfs/dbraw/zinc/77/57/68/348775768.db2.gz NRZJAWYFAZGIAF-SQLBVSGCSA-N 1 0 239.319 -0.035 20 30 BBEDRO CC1CC(C#N)(C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000597653894 348775980 /nfs/dbraw/zinc/77/59/80/348775980.db2.gz NRZJAWYFAZGIAF-YZRBJQDESA-N 1 0 239.319 -0.035 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(C#N)nc1 ZINC000597654144 348775646 /nfs/dbraw/zinc/77/56/46/348775646.db2.gz OWNDZJRFZJAJKA-LLVKDONJSA-N 1 0 248.286 -0.394 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(C#N)nc1 ZINC000597654145 348775622 /nfs/dbraw/zinc/77/56/22/348775622.db2.gz OWNDZJRFZJAJKA-NSHDSACASA-N 1 0 248.286 -0.394 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)CC1(C#N)CC1 ZINC000597654227 348775894 /nfs/dbraw/zinc/77/58/94/348775894.db2.gz PXZYHNVOEJRDFX-SECBINFHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)CC1(C#N)CC1 ZINC000597654228 348776121 /nfs/dbraw/zinc/77/61/21/348776121.db2.gz PXZYHNVOEJRDFX-VIFPVBQESA-N 1 0 225.292 -0.281 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)CC(C)(C)C#N ZINC000597654249 348775874 /nfs/dbraw/zinc/77/58/74/348775874.db2.gz QZOUOBTTXYYMMJ-SECBINFHSA-N 1 0 227.308 -0.035 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)CC(C)(C)C#N ZINC000597654250 348775674 /nfs/dbraw/zinc/77/56/74/348775674.db2.gz QZOUOBTTXYYMMJ-VIFPVBQESA-N 1 0 227.308 -0.035 20 30 BBEDRO CC[C@](C)(C#N)C(=O)N[C@H](CO)C[NH+](C)C ZINC000597654294 348775750 /nfs/dbraw/zinc/77/57/50/348775750.db2.gz RMVCYPWCBLOYFL-GXSJLCMTSA-N 1 0 227.308 -0.035 20 30 BBEDRO CC[C@@](C)(C#N)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597654295 348775682 /nfs/dbraw/zinc/77/56/82/348775682.db2.gz RMVCYPWCBLOYFL-KOLCDFICSA-N 1 0 227.308 -0.035 20 30 BBEDRO CC[C@](C)(C#N)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597654297 348775721 /nfs/dbraw/zinc/77/57/21/348775721.db2.gz RMVCYPWCBLOYFL-MWLCHTKSSA-N 1 0 227.308 -0.035 20 30 BBEDRO CC[C@@](C)(C#N)C(=O)N[C@H](CO)C[NH+](C)C ZINC000597654298 348775563 /nfs/dbraw/zinc/77/55/63/348775563.db2.gz RMVCYPWCBLOYFL-ONGXEEELSA-N 1 0 227.308 -0.035 20 30 BBEDRO CC[C@H](C#N)C(=O)N[C@H](CO)C[NH+](C)C ZINC000597654496 348775996 /nfs/dbraw/zinc/77/59/96/348775996.db2.gz RTPCHZBVERYBOB-BDAKNGLRSA-N 1 0 213.281 -0.425 20 30 BBEDRO CC[C@@H](C#N)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597654497 348775600 /nfs/dbraw/zinc/77/56/00/348775600.db2.gz RTPCHZBVERYBOB-DTWKUNHWSA-N 1 0 213.281 -0.425 20 30 BBEDRO CC[C@@H](C#N)C(=O)N[C@H](CO)C[NH+](C)C ZINC000597654498 348776011 /nfs/dbraw/zinc/77/60/11/348776011.db2.gz RTPCHZBVERYBOB-IUCAKERBSA-N 1 0 213.281 -0.425 20 30 BBEDRO CC[C@H](C#N)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597654499 348775690 /nfs/dbraw/zinc/77/56/90/348775690.db2.gz RTPCHZBVERYBOB-RKDXNWHRSA-N 1 0 213.281 -0.425 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(C#N)n1 ZINC000597654524 348775972 /nfs/dbraw/zinc/77/59/72/348775972.db2.gz SKRHDPCXLDREMF-JTQLQIEISA-N 1 0 248.286 -0.394 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1cccc(C#N)n1 ZINC000597654525 348775837 /nfs/dbraw/zinc/77/58/37/348775837.db2.gz SKRHDPCXLDREMF-SNVBAGLBSA-N 1 0 248.286 -0.394 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)CCCC#N ZINC000597654541 348776111 /nfs/dbraw/zinc/77/61/11/348776111.db2.gz TUXIAKRFMIEQLC-SECBINFHSA-N 1 0 213.281 -0.281 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)CCCC#N ZINC000597654542 348776094 /nfs/dbraw/zinc/77/60/94/348776094.db2.gz TUXIAKRFMIEQLC-VIFPVBQESA-N 1 0 213.281 -0.281 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cnccc1C#N ZINC000597655680 348776495 /nfs/dbraw/zinc/77/64/95/348776495.db2.gz ZXYXTYOUKOWRFH-JTQLQIEISA-N 1 0 248.286 -0.394 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1cnccc1C#N ZINC000597655681 348776575 /nfs/dbraw/zinc/77/65/75/348776575.db2.gz ZXYXTYOUKOWRFH-SNVBAGLBSA-N 1 0 248.286 -0.394 20 30 BBEDRO C[C@@H](CC#N)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000597677511 348777883 /nfs/dbraw/zinc/77/78/83/348777883.db2.gz OAPDVJJMTUBNTI-GUBZILKMSA-N 1 0 225.292 -0.331 20 30 BBEDRO C[C@H](CC#N)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000597677512 348778238 /nfs/dbraw/zinc/77/82/38/348778238.db2.gz OAPDVJJMTUBNTI-UTLUCORTSA-N 1 0 225.292 -0.331 20 30 BBEDRO N#C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000597736401 348800912 /nfs/dbraw/zinc/80/09/12/348800912.db2.gz BUFHFIFXSXPQNR-PSASIEDQSA-N 1 0 223.276 -0.386 20 30 BBEDRO N#C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000597736406 348800884 /nfs/dbraw/zinc/80/08/84/348800884.db2.gz BUFHFIFXSXPQNR-SCZZXKLOSA-N 1 0 223.276 -0.386 20 30 BBEDRO N#C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000597736408 348800863 /nfs/dbraw/zinc/80/08/63/348800863.db2.gz BUFHFIFXSXPQNR-WCBMZHEXSA-N 1 0 223.276 -0.386 20 30 BBEDRO N#C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000597736409 348800792 /nfs/dbraw/zinc/80/07/92/348800792.db2.gz BUFHFIFXSXPQNR-WPRPVWTQSA-N 1 0 223.276 -0.386 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C#N)CO)C1 ZINC000597737822 348802321 /nfs/dbraw/zinc/80/23/21/348802321.db2.gz NQNSGKARDYRVKJ-BDAKNGLRSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)N[C@H](C#N)CO)C1 ZINC000597737833 348801888 /nfs/dbraw/zinc/80/18/88/348801888.db2.gz NQNSGKARDYRVKJ-DTWKUNHWSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)N[C@@H](C#N)CO)C1 ZINC000597737834 348802340 /nfs/dbraw/zinc/80/23/40/348802340.db2.gz NQNSGKARDYRVKJ-IUCAKERBSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@H](C#N)CO)C1 ZINC000597737946 348802193 /nfs/dbraw/zinc/80/21/93/348802193.db2.gz NQNSGKARDYRVKJ-RKDXNWHRSA-N 1 0 211.265 -0.671 20 30 BBEDRO CN(C)c1cc[nH+]cc1C(=O)N[C@H](C#N)CO ZINC000597741119 348805667 /nfs/dbraw/zinc/80/56/67/348805667.db2.gz GUTCITYHTDOGKR-MRVPVSSYSA-N 1 0 234.259 -0.238 20 30 BBEDRO CN(C)c1cc[nH+]cc1C(=O)N[C@@H](C#N)CO ZINC000597741120 348805850 /nfs/dbraw/zinc/80/58/50/348805850.db2.gz GUTCITYHTDOGKR-QMMMGPOBSA-N 1 0 234.259 -0.238 20 30 BBEDRO CC(C)[C@@H](C(=O)N[C@H](C#N)CO)[NH+](C)C ZINC000597741245 348805717 /nfs/dbraw/zinc/80/57/17/348805717.db2.gz NAJVOACNQPQIIG-BDAKNGLRSA-N 1 0 213.281 -0.427 20 30 BBEDRO CC(C)[C@H](C(=O)N[C@@H](C#N)CO)[NH+](C)C ZINC000597741246 348805904 /nfs/dbraw/zinc/80/59/04/348805904.db2.gz NAJVOACNQPQIIG-DTWKUNHWSA-N 1 0 213.281 -0.427 20 30 BBEDRO CC(C)[C@@H](C(=O)N[C@@H](C#N)CO)[NH+](C)C ZINC000597741247 348805891 /nfs/dbraw/zinc/80/58/91/348805891.db2.gz NAJVOACNQPQIIG-IUCAKERBSA-N 1 0 213.281 -0.427 20 30 BBEDRO CC(C)[C@H](C(=O)N[C@H](C#N)CO)[NH+](C)C ZINC000597741248 348805778 /nfs/dbraw/zinc/80/57/78/348805778.db2.gz NAJVOACNQPQIIG-RKDXNWHRSA-N 1 0 213.281 -0.427 20 30 BBEDRO C[N@H+](CC(=O)N[C@H](C#N)CO)[C@H]1CCSC1 ZINC000597741803 348806300 /nfs/dbraw/zinc/80/63/00/348806300.db2.gz JSMRRUBIEJJPDY-BDAKNGLRSA-N 1 0 243.332 -0.576 20 30 BBEDRO C[N@H+](CC(=O)N[C@@H](C#N)CO)[C@@H]1CCSC1 ZINC000597741804 348806545 /nfs/dbraw/zinc/80/65/45/348806545.db2.gz JSMRRUBIEJJPDY-DTWKUNHWSA-N 1 0 243.332 -0.576 20 30 BBEDRO C[N@H+](CC(=O)N[C@@H](C#N)CO)[C@H]1CCSC1 ZINC000597741806 348806484 /nfs/dbraw/zinc/80/64/84/348806484.db2.gz JSMRRUBIEJJPDY-IUCAKERBSA-N 1 0 243.332 -0.576 20 30 BBEDRO C[N@H+](CC(=O)N[C@H](C#N)CO)[C@@H]1CCSC1 ZINC000597741807 348806164 /nfs/dbraw/zinc/80/61/64/348806164.db2.gz JSMRRUBIEJJPDY-RKDXNWHRSA-N 1 0 243.332 -0.576 20 30 BBEDRO CC1CC[NH+](CC(=O)N[C@@H](C#N)CO)CC1 ZINC000597742441 348807856 /nfs/dbraw/zinc/80/78/56/348807856.db2.gz VWOBGOHSFQRHHT-JTQLQIEISA-N 1 0 225.292 -0.281 20 30 BBEDRO CC1CC[NH+](CC(=O)N[C@H](C#N)CO)CC1 ZINC000597742442 348807746 /nfs/dbraw/zinc/80/77/46/348807746.db2.gz VWOBGOHSFQRHHT-SNVBAGLBSA-N 1 0 225.292 -0.281 20 30 BBEDRO CN(CCC(=O)N[C@@H](C#N)CO)c1cc[nH+]cc1 ZINC000597742584 348807841 /nfs/dbraw/zinc/80/78/41/348807841.db2.gz NRDNKZBCGFURCT-JTQLQIEISA-N 1 0 248.286 -0.091 20 30 BBEDRO CN(CCC(=O)N[C@H](C#N)CO)c1cc[nH+]cc1 ZINC000597742591 348807800 /nfs/dbraw/zinc/80/78/00/348807800.db2.gz NRDNKZBCGFURCT-SNVBAGLBSA-N 1 0 248.286 -0.091 20 30 BBEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C#N)CO ZINC000597744078 411210239 /nfs/dbraw/zinc/21/02/39/411210239.db2.gz NHPZDYFPFISXSB-NXEZZACHSA-N 1 0 225.292 -0.139 20 30 BBEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C#N)CO ZINC000597744079 411209939 /nfs/dbraw/zinc/20/99/39/411209939.db2.gz NHPZDYFPFISXSB-UWVGGRQHSA-N 1 0 225.292 -0.139 20 30 BBEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C#N)CO ZINC000597744080 411210026 /nfs/dbraw/zinc/21/00/26/411210026.db2.gz NHPZDYFPFISXSB-VHSXEESVSA-N 1 0 225.292 -0.139 20 30 BBEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C#N)CO ZINC000597744081 411209872 /nfs/dbraw/zinc/20/98/72/411209872.db2.gz NHPZDYFPFISXSB-ZJUUUORDSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H](C#N)CO ZINC000597745585 348810512 /nfs/dbraw/zinc/81/05/12/348810512.db2.gz DWUWGIYPEBXJPL-AEJSXWLSSA-N 1 0 225.292 -0.140 20 30 BBEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H](C#N)CO ZINC000597745586 348810506 /nfs/dbraw/zinc/81/05/06/348810506.db2.gz DWUWGIYPEBXJPL-BBBLOLIVSA-N 1 0 225.292 -0.140 20 30 BBEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](C#N)CO ZINC000597745587 348810426 /nfs/dbraw/zinc/81/04/26/348810426.db2.gz DWUWGIYPEBXJPL-KXUCPTDWSA-N 1 0 225.292 -0.140 20 30 BBEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](C#N)CO ZINC000597745588 348810381 /nfs/dbraw/zinc/81/03/81/348810381.db2.gz DWUWGIYPEBXJPL-OPRDCNLKSA-N 1 0 225.292 -0.140 20 30 BBEDRO C[NH+](C)C1(C(=O)N2CC[C@](O)(CC#N)C2)CC1 ZINC000597800751 385586803 /nfs/dbraw/zinc/58/68/03/385586803.db2.gz AQSRRXNPBMGFBE-LLVKDONJSA-N 1 0 237.303 -0.042 20 30 BBEDRO C[NH+](C)C1(C(=O)N2CC[C@@](O)(CC#N)C2)CC1 ZINC000597800752 385586502 /nfs/dbraw/zinc/58/65/02/385586502.db2.gz AQSRRXNPBMGFBE-NSHDSACASA-N 1 0 237.303 -0.042 20 30 BBEDRO C[C@@H](CC#N)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000597827025 348820521 /nfs/dbraw/zinc/82/05/21/348820521.db2.gz SUKCYBUEYNJEJY-GARJFASQSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[C@H](CC#N)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000597827026 348820597 /nfs/dbraw/zinc/82/05/97/348820597.db2.gz SUKCYBUEYNJEJY-OUAUKWLOSA-N 1 0 237.303 -0.186 20 30 BBEDRO CN(CCC[NH+](C)C)CCNC(=O)CC#N ZINC000597989348 348851181 /nfs/dbraw/zinc/85/11/81/348851181.db2.gz FCFWANPTXFTTGL-UHFFFAOYSA-N 1 0 226.324 -0.100 20 30 BBEDRO N#CCC1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000598030984 348866707 /nfs/dbraw/zinc/86/67/07/348866707.db2.gz YWKDOONJOBQYLL-GFCCVEGCSA-N 1 0 248.330 -0.252 20 30 BBEDRO N#CCC1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000598030985 348866950 /nfs/dbraw/zinc/86/69/50/348866950.db2.gz YWKDOONJOBQYLL-LBPRGKRZSA-N 1 0 248.330 -0.252 20 30 BBEDRO CN(CC1C[NH+](C)C1)C(=O)Cn1cnc(C#N)n1 ZINC000598165831 348907387 /nfs/dbraw/zinc/90/73/87/348907387.db2.gz YXIVSLFMQXEZLJ-UHFFFAOYSA-N 1 0 248.290 -0.830 20 30 BBEDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC#N ZINC000598183979 348909226 /nfs/dbraw/zinc/90/92/26/348909226.db2.gz KARVMDKYFCVLCM-UHFFFAOYSA-N 1 0 240.307 -0.622 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH+](CCO)CCO ZINC000598589830 348996715 /nfs/dbraw/zinc/99/67/15/348996715.db2.gz MFWIJKHFFZLCOU-JTQLQIEISA-N 1 0 230.308 -0.426 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH+](CCO)CCO ZINC000598589835 348996721 /nfs/dbraw/zinc/99/67/21/348996721.db2.gz MFWIJKHFFZLCOU-SNVBAGLBSA-N 1 0 230.308 -0.426 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](CCO)CCCO ZINC000598590404 348997400 /nfs/dbraw/zinc/99/74/00/348997400.db2.gz XSRAWNRGZQAFIG-LLVKDONJSA-N 1 0 244.335 -0.036 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[N@H+](CCO)CCCO ZINC000598590405 348997446 /nfs/dbraw/zinc/99/74/46/348997446.db2.gz XSRAWNRGZQAFIG-NSHDSACASA-N 1 0 244.335 -0.036 20 30 BBEDRO CNC(=O)C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598590745 348997601 /nfs/dbraw/zinc/99/76/01/348997601.db2.gz WGOZKNWNODSUAP-SECBINFHSA-N 1 0 227.308 -0.035 20 30 BBEDRO CNC(=O)C[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598590748 348997834 /nfs/dbraw/zinc/99/78/34/348997834.db2.gz WGOZKNWNODSUAP-VIFPVBQESA-N 1 0 227.308 -0.035 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000598595493 398031889 /nfs/dbraw/zinc/03/18/89/398031889.db2.gz ODQKAAHKLCVYRE-AXFHLTTASA-N 1 0 242.319 -0.285 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000598595494 398031977 /nfs/dbraw/zinc/03/19/77/398031977.db2.gz ODQKAAHKLCVYRE-OUAUKWLOSA-N 1 0 242.319 -0.285 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000598596366 385622372 /nfs/dbraw/zinc/62/23/72/385622372.db2.gz RFWGONRDORLAQS-BBBLOLIVSA-N 1 0 228.292 -0.675 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000598596371 385622648 /nfs/dbraw/zinc/62/26/48/385622648.db2.gz RFWGONRDORLAQS-LPEHRKFASA-N 1 0 228.292 -0.675 20 30 BBEDRO CNC(=O)C1C[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598603760 349006208 /nfs/dbraw/zinc/00/62/08/349006208.db2.gz GITYLJISMCLZPQ-JTQLQIEISA-N 1 0 239.319 -0.035 20 30 BBEDRO CNC(=O)C1C[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598603761 349006091 /nfs/dbraw/zinc/00/60/91/349006091.db2.gz GITYLJISMCLZPQ-SNVBAGLBSA-N 1 0 239.319 -0.035 20 30 BBEDRO C[C@@H](O)C[N@H+](CCO)C[C@H](O)CC(C)(C)C#N ZINC000598616583 398032506 /nfs/dbraw/zinc/03/25/06/398032506.db2.gz MHSWUAOETCIJBL-GHMZBOCLSA-N 1 0 244.335 -0.038 20 30 BBEDRO C[C@@H](O)C[N@H+](CCO)C[C@@H](O)CC(C)(C)C#N ZINC000598616584 398032566 /nfs/dbraw/zinc/03/25/66/398032566.db2.gz MHSWUAOETCIJBL-MNOVXSKESA-N 1 0 244.335 -0.038 20 30 BBEDRO C[C@H](O)C[N@H+](CCO)C[C@@H](O)CC(C)(C)C#N ZINC000598616585 398032844 /nfs/dbraw/zinc/03/28/44/398032844.db2.gz MHSWUAOETCIJBL-QWRGUYRKSA-N 1 0 244.335 -0.038 20 30 BBEDRO C[C@H](O)C[N@H+](CCO)C[C@H](O)CC(C)(C)C#N ZINC000598616586 398032974 /nfs/dbraw/zinc/03/29/74/398032974.db2.gz MHSWUAOETCIJBL-WDEREUQCSA-N 1 0 244.335 -0.038 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000598619053 349001976 /nfs/dbraw/zinc/00/19/76/349001976.db2.gz UXYJNZSCISXADL-GHMZBOCLSA-N 1 0 242.319 -0.020 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000598619055 349002111 /nfs/dbraw/zinc/00/21/11/349002111.db2.gz UXYJNZSCISXADL-MNOVXSKESA-N 1 0 242.319 -0.020 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000598619057 349001944 /nfs/dbraw/zinc/00/19/44/349001944.db2.gz UXYJNZSCISXADL-QWRGUYRKSA-N 1 0 242.319 -0.020 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000598619059 349001986 /nfs/dbraw/zinc/00/19/86/349001986.db2.gz UXYJNZSCISXADL-WDEREUQCSA-N 1 0 242.319 -0.020 20 30 BBEDRO CO[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1O ZINC000598619807 349002001 /nfs/dbraw/zinc/00/20/01/349002001.db2.gz HGUQDPMZQIOQIT-GMTAPVOTSA-N 1 0 242.319 -0.021 20 30 BBEDRO CO[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1O ZINC000598619809 349001891 /nfs/dbraw/zinc/00/18/91/349001891.db2.gz HGUQDPMZQIOQIT-HBNTYKKESA-N 1 0 242.319 -0.021 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C(CO)CO ZINC000598621865 349003012 /nfs/dbraw/zinc/00/30/12/349003012.db2.gz XSKJRVKUFTZQPI-SECBINFHSA-N 1 0 216.281 -0.770 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C(CO)CO ZINC000598621866 349002812 /nfs/dbraw/zinc/00/28/12/349002812.db2.gz XSKJRVKUFTZQPI-VIFPVBQESA-N 1 0 216.281 -0.770 20 30 BBEDRO CNS(=O)(=O)CCN1CC[C@](C)(C#N)C1 ZINC000598628258 349004808 /nfs/dbraw/zinc/00/48/08/349004808.db2.gz NDYCDSKRKDGBGR-SECBINFHSA-N 1 0 231.321 -0.229 20 30 BBEDRO CNS(=O)(=O)CCN1CC[C@@](C)(C#N)C1 ZINC000598628259 349004660 /nfs/dbraw/zinc/00/46/60/349004660.db2.gz NDYCDSKRKDGBGR-VIFPVBQESA-N 1 0 231.321 -0.229 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1CO ZINC000598652093 349011771 /nfs/dbraw/zinc/01/17/71/349011771.db2.gz XCSAPMIVOCHDFE-NXEZZACHSA-N 1 0 225.292 -0.424 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1CO ZINC000598652094 349012055 /nfs/dbraw/zinc/01/20/55/349012055.db2.gz XCSAPMIVOCHDFE-UWVGGRQHSA-N 1 0 225.292 -0.424 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1CO ZINC000598652096 349012246 /nfs/dbraw/zinc/01/22/46/349012246.db2.gz XCSAPMIVOCHDFE-VHSXEESVSA-N 1 0 225.292 -0.424 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1CO ZINC000598652097 349012399 /nfs/dbraw/zinc/01/23/99/349012399.db2.gz XCSAPMIVOCHDFE-ZJUUUORDSA-N 1 0 225.292 -0.424 20 30 BBEDRO N#Cc1ccccc1CN(CC[NH3+])C[C@@H](O)CO ZINC000598682779 385067172 /nfs/dbraw/zinc/06/71/72/385067172.db2.gz OWGWULCNMFHMJT-CYBMUJFWSA-N 1 0 249.314 -0.328 20 30 BBEDRO N#Cc1ccccc1CN(CC[NH3+])C[C@H](O)CO ZINC000598682781 385065041 /nfs/dbraw/zinc/06/50/41/385065041.db2.gz OWGWULCNMFHMJT-ZDUSSCGKSA-N 1 0 249.314 -0.328 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCOCCO ZINC000598703926 349022692 /nfs/dbraw/zinc/02/26/92/349022692.db2.gz KQLYSVCHOHXFAJ-JTQLQIEISA-N 1 0 230.308 -0.114 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCOCCO ZINC000598703927 349022432 /nfs/dbraw/zinc/02/24/32/349022432.db2.gz KQLYSVCHOHXFAJ-SNVBAGLBSA-N 1 0 230.308 -0.114 20 30 BBEDRO CN(C)C(=O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598715495 349026158 /nfs/dbraw/zinc/02/61/58/349026158.db2.gz RSUZGJCWKIFYSA-SECBINFHSA-N 1 0 227.308 -0.035 20 30 BBEDRO CN(C)C(=O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598715496 349026169 /nfs/dbraw/zinc/02/61/69/349026169.db2.gz RSUZGJCWKIFYSA-VIFPVBQESA-N 1 0 227.308 -0.035 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@](C)(O)CO ZINC000598728437 349030305 /nfs/dbraw/zinc/03/03/05/349030305.db2.gz BXSOVUROJWNHFQ-GXSJLCMTSA-N 1 0 230.308 -0.380 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@](C)(O)CO ZINC000598728438 349030508 /nfs/dbraw/zinc/03/05/08/349030508.db2.gz BXSOVUROJWNHFQ-KOLCDFICSA-N 1 0 230.308 -0.380 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@](C)(O)CO ZINC000598728439 349030388 /nfs/dbraw/zinc/03/03/88/349030388.db2.gz BXSOVUROJWNHFQ-MWLCHTKSSA-N 1 0 230.308 -0.380 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@](C)(O)CO ZINC000598728440 349030423 /nfs/dbraw/zinc/03/04/23/349030423.db2.gz BXSOVUROJWNHFQ-ONGXEEELSA-N 1 0 230.308 -0.380 20 30 BBEDRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598728641 349031398 /nfs/dbraw/zinc/03/13/98/349031398.db2.gz DWPIXMBZRLRJNS-KXUCPTDWSA-N 1 0 230.308 -0.382 20 30 BBEDRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598728642 349031464 /nfs/dbraw/zinc/03/14/64/349031464.db2.gz DWPIXMBZRLRJNS-OPRDCNLKSA-N 1 0 230.308 -0.382 20 30 BBEDRO COC[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729200 349031443 /nfs/dbraw/zinc/03/14/43/349031443.db2.gz HLARQFRVNBQFTM-NXEZZACHSA-N 1 0 230.308 -0.116 20 30 BBEDRO COC[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729207 349030982 /nfs/dbraw/zinc/03/09/82/349030982.db2.gz HLARQFRVNBQFTM-UWVGGRQHSA-N 1 0 230.308 -0.116 20 30 BBEDRO COC[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729208 349031497 /nfs/dbraw/zinc/03/14/97/349031497.db2.gz HLARQFRVNBQFTM-VHSXEESVSA-N 1 0 230.308 -0.116 20 30 BBEDRO COC[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729209 349031226 /nfs/dbraw/zinc/03/12/26/349031226.db2.gz HLARQFRVNBQFTM-ZJUUUORDSA-N 1 0 230.308 -0.116 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000598729503 349031819 /nfs/dbraw/zinc/03/18/19/349031819.db2.gz KMWIABLXRAJQRO-IVZWLZJFSA-N 1 0 228.292 -0.364 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000598729536 349031903 /nfs/dbraw/zinc/03/19/03/349031903.db2.gz KMWIABLXRAJQRO-OPRDCNLKSA-N 1 0 228.292 -0.364 20 30 BBEDRO CN(C)C[C@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729593 349031969 /nfs/dbraw/zinc/03/19/69/349031969.db2.gz LPXIZSJNMBVDTI-GHMZBOCLSA-N 1 0 243.351 -0.201 20 30 BBEDRO CN(C)C[C@@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729598 349032257 /nfs/dbraw/zinc/03/22/57/349032257.db2.gz LPXIZSJNMBVDTI-MNOVXSKESA-N 1 0 243.351 -0.201 20 30 BBEDRO CN(C)C[C@@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729599 349032069 /nfs/dbraw/zinc/03/20/69/349032069.db2.gz LPXIZSJNMBVDTI-QWRGUYRKSA-N 1 0 243.351 -0.201 20 30 BBEDRO CN(C)C[C@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729600 349031987 /nfs/dbraw/zinc/03/19/87/349031987.db2.gz LPXIZSJNMBVDTI-WDEREUQCSA-N 1 0 243.351 -0.201 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC#CCO ZINC000598729852 349031765 /nfs/dbraw/zinc/03/17/65/349031765.db2.gz NUNCOJYAUQWOSQ-JTQLQIEISA-N 1 0 210.277 -0.128 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC#CCO ZINC000598729857 349031660 /nfs/dbraw/zinc/03/16/60/349031660.db2.gz NUNCOJYAUQWOSQ-SNVBAGLBSA-N 1 0 210.277 -0.128 20 30 BBEDRO CN(C)C[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730224 349032147 /nfs/dbraw/zinc/03/21/47/349032147.db2.gz SBLRLHPCLGDEOZ-GHMZBOCLSA-N 1 0 243.351 -0.201 20 30 BBEDRO CN(C)C[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730225 349032677 /nfs/dbraw/zinc/03/26/77/349032677.db2.gz SBLRLHPCLGDEOZ-MNOVXSKESA-N 1 0 243.351 -0.201 20 30 BBEDRO CN(C)C[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730226 349032869 /nfs/dbraw/zinc/03/28/69/349032869.db2.gz SBLRLHPCLGDEOZ-QWRGUYRKSA-N 1 0 243.351 -0.201 20 30 BBEDRO CN(C)C[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730227 349032618 /nfs/dbraw/zinc/03/26/18/349032618.db2.gz SBLRLHPCLGDEOZ-WDEREUQCSA-N 1 0 243.351 -0.201 20 30 BBEDRO COC(=O)[C@@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730393 349032698 /nfs/dbraw/zinc/03/26/98/349032698.db2.gz UTTBNMWIVVIBEM-BDAKNGLRSA-N 1 0 244.291 -0.589 20 30 BBEDRO COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730394 349032872 /nfs/dbraw/zinc/03/28/72/349032872.db2.gz UTTBNMWIVVIBEM-IUCAKERBSA-N 1 0 244.291 -0.589 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC(C)(CO)CO ZINC000598730730 349032604 /nfs/dbraw/zinc/03/26/04/349032604.db2.gz ZTKKRWUYZRKEDG-JTQLQIEISA-N 1 0 244.335 -0.132 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(C)(CO)CO ZINC000598730731 349032623 /nfs/dbraw/zinc/03/26/23/349032623.db2.gz ZTKKRWUYZRKEDG-SNVBAGLBSA-N 1 0 244.335 -0.132 20 30 BBEDRO CN1CCOC[C@@H]1CNC(=O)NCCCC#N ZINC000599024706 349078094 /nfs/dbraw/zinc/07/80/94/349078094.db2.gz SZLBGPVUAJQZFH-JTQLQIEISA-N 1 0 240.307 -0.080 20 30 BBEDRO CN1CCOC[C@H]1CNC(=O)NCCCC#N ZINC000599024707 349077966 /nfs/dbraw/zinc/07/79/66/349077966.db2.gz SZLBGPVUAJQZFH-SNVBAGLBSA-N 1 0 240.307 -0.080 20 30 BBEDRO C=CCSCCNc1nc(N)[nH+]c(N)n1 ZINC000599030914 349079537 /nfs/dbraw/zinc/07/95/37/349079537.db2.gz NDLMKEIHZSABHH-UHFFFAOYSA-N 1 0 226.309 -0.550 20 30 BBEDRO N#CCCCCNc1nc(N)[nH+]c(N)n1 ZINC000599041388 349081412 /nfs/dbraw/zinc/08/14/12/349081412.db2.gz TYKYJTQWLXNVDP-UHFFFAOYSA-N 1 0 207.241 -0.776 20 30 BBEDRO N#CCC1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000599065055 349085970 /nfs/dbraw/zinc/08/59/70/349085970.db2.gz HKWOURSTQDVUOH-UHFFFAOYSA-N 1 0 233.279 -0.173 20 30 BBEDRO CC1(C#N)CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000599066883 349086813 /nfs/dbraw/zinc/08/68/13/349086813.db2.gz XMEPLFVNKMPTLE-UHFFFAOYSA-N 1 0 233.279 -0.173 20 30 BBEDRO N#CCC1(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000599070398 349088050 /nfs/dbraw/zinc/08/80/50/349088050.db2.gz GCOMIWSHARCNEB-UHFFFAOYSA-N 1 0 219.252 -0.776 20 30 BBEDRO N#CC1CCC(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000599075349 349087537 /nfs/dbraw/zinc/08/75/37/349087537.db2.gz VMGVZIQEVCEBPL-UHFFFAOYSA-N 1 0 247.306 -0.139 20 30 BBEDRO N#CC[C@@H]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000599083116 349096732 /nfs/dbraw/zinc/09/67/32/349096732.db2.gz HYBHKMSICREMMV-BQBZGAKWSA-N 1 0 233.279 -0.387 20 30 BBEDRO CC(C)(CCC#N)CNc1nc(N)[nH+]c(N)n1 ZINC000599084338 349096421 /nfs/dbraw/zinc/09/64/21/349096421.db2.gz AUTNSSCGPZKKCG-UHFFFAOYSA-N 1 0 235.295 -0.139 20 30 BBEDRO CC(C)(CC#N)CNc1nc(N)[nH+]c(N)n1 ZINC000599086932 349090570 /nfs/dbraw/zinc/09/05/70/349090570.db2.gz CKCYUDUGTUSBOH-UHFFFAOYSA-N 1 0 221.268 -0.530 20 30 BBEDRO N#C[C@H]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000599088330 349090696 /nfs/dbraw/zinc/09/06/96/349090696.db2.gz BGJYILWJMNFZKO-NTSWFWBYSA-N 1 0 219.252 -0.777 20 30 BBEDRO N#CC1(CNc2nc(N)nc(N)n2)CCCC1 ZINC000599095850 349092736 /nfs/dbraw/zinc/09/27/36/349092736.db2.gz IXJNDAVJLNMWBG-UHFFFAOYSA-N 1 0 233.279 -0.385 20 30 BBEDRO N#CC[C@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000599098588 349093661 /nfs/dbraw/zinc/09/36/61/349093661.db2.gz MPNWYFCETXEJHE-SSDOTTSWSA-N 1 0 233.279 -0.173 20 30 BBEDRO N#CC[C@@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000599098589 349093918 /nfs/dbraw/zinc/09/39/18/349093918.db2.gz MPNWYFCETXEJHE-ZETCQYMHSA-N 1 0 233.279 -0.173 20 30 BBEDRO C=CCCSCCNc1nc(N)[nH+]c(N)n1 ZINC000599100032 349093650 /nfs/dbraw/zinc/09/36/50/349093650.db2.gz FCZBDNOTRKPZCO-UHFFFAOYSA-N 1 0 240.336 -0.160 20 30 BBEDRO CCN(CC[NH3+])S(=O)(=O)N(C)CCC#N ZINC000599107539 349094436 /nfs/dbraw/zinc/09/44/36/349094436.db2.gz NRVDAIULFAQBRO-UHFFFAOYSA-N 1 0 234.325 -0.643 20 30 BBEDRO C[C@]1(C#N)CCN(c2nc(N)nc(N)n2)C1 ZINC000599110238 349092754 /nfs/dbraw/zinc/09/27/54/349092754.db2.gz MONOSCYCSQGLLH-SECBINFHSA-N 1 0 219.252 -0.563 20 30 BBEDRO C[C@@]1(C#N)CCN(c2nc(N)nc(N)n2)C1 ZINC000599110239 349093191 /nfs/dbraw/zinc/09/31/91/349093191.db2.gz MONOSCYCSQGLLH-VIFPVBQESA-N 1 0 219.252 -0.563 20 30 BBEDRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)N(C)CCC#N ZINC000599110759 349099503 /nfs/dbraw/zinc/09/95/03/349099503.db2.gz OOPCTGKUBGSWPV-DTWKUNHWSA-N 1 0 246.336 -0.583 20 30 BBEDRO CN1CCOC[C@@H]1CNc1cc(C#N)ncn1 ZINC000599159438 412254615 /nfs/dbraw/zinc/25/46/15/412254615.db2.gz BSYSXVFVTSXYLV-JTQLQIEISA-N 1 0 233.275 0.091 20 30 BBEDRO N#Cc1cnc(NCC[N@H+]2CC[C@@H](O)C2)cn1 ZINC000599175415 349112552 /nfs/dbraw/zinc/11/25/52/349112552.db2.gz ARVXYDBLQSILJR-SNVBAGLBSA-N 1 0 233.275 -0.173 20 30 BBEDRO Cn1ncc(C#N)c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175417 349113526 /nfs/dbraw/zinc/11/35/26/349113526.db2.gz ATNPHNGCZNGHAK-SNVBAGLBSA-N 1 0 235.291 -0.230 20 30 BBEDRO N#Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)ccn1 ZINC000599175461 349113413 /nfs/dbraw/zinc/11/34/13/349113413.db2.gz BXJBZSBNVLWZBT-GFCCVEGCSA-N 1 0 232.287 -0.146 20 30 BBEDRO N#Cc1cncc(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000599175465 349113294 /nfs/dbraw/zinc/11/32/94/349113294.db2.gz CFBLRVYJQKSKRO-SNVBAGLBSA-N 1 0 233.275 -0.173 20 30 BBEDRO N#Cc1cnnc(NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000599175480 412277086 /nfs/dbraw/zinc/27/70/86/412277086.db2.gz CQMIWGNVHMHWSN-SNVBAGLBSA-N 1 0 233.275 -0.173 20 30 BBEDRO N#Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)ncn1 ZINC000599175499 412252266 /nfs/dbraw/zinc/25/22/66/412252266.db2.gz DARJTKFEBLFYEX-SNVBAGLBSA-N 1 0 233.275 -0.173 20 30 BBEDRO N#Cc1cncnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176281 349104189 /nfs/dbraw/zinc/10/41/89/349104189.db2.gz PJABFOWNZNRBQN-SNVBAGLBSA-N 1 0 233.275 -0.751 20 30 BBEDRO Cc1cc(C#N)nc(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000599176285 412302278 /nfs/dbraw/zinc/30/22/78/412302278.db2.gz PNWAYFHCFFMXFC-LLVKDONJSA-N 1 0 247.302 0.135 20 30 BBEDRO N#Cc1ccc(NCC[N@H+]2CC[C@@H](O)C2)nn1 ZINC000599176344 409755798 /nfs/dbraw/zinc/75/57/98/409755798.db2.gz RHIBQZFNOGWRND-SNVBAGLBSA-N 1 0 233.275 -0.173 20 30 BBEDRO N#Cc1nccc(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000599176387 349104229 /nfs/dbraw/zinc/10/42/29/349104229.db2.gz SJBUDYAZESCKIA-SECBINFHSA-N 1 0 233.275 -0.751 20 30 BBEDRO N#Cc1nccnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176797 349108029 /nfs/dbraw/zinc/10/80/29/349108029.db2.gz YRMMPVLPZPQRKU-SECBINFHSA-N 1 0 233.275 -0.173 20 30 BBEDRO N#Cc1cnccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176817 349107887 /nfs/dbraw/zinc/10/78/87/349107887.db2.gz ZPEHHMMSEXLQPJ-LLVKDONJSA-N 1 0 232.287 -0.146 20 30 BBEDRO N#Cc1cnc(NCC[N@H+]2CC[C@H](O)C2)cn1 ZINC000599198911 349116762 /nfs/dbraw/zinc/11/67/62/349116762.db2.gz ARVXYDBLQSILJR-JTQLQIEISA-N 1 0 233.275 -0.173 20 30 BBEDRO Cn1ncc(C#N)c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599198915 349116615 /nfs/dbraw/zinc/11/66/15/349116615.db2.gz ATNPHNGCZNGHAK-JTQLQIEISA-N 1 0 235.291 -0.230 20 30 BBEDRO N#Cc1cc(NCC[N@H+]2CC[C@H](O)C2)ccn1 ZINC000599198945 349116510 /nfs/dbraw/zinc/11/65/10/349116510.db2.gz BXJBZSBNVLWZBT-LBPRGKRZSA-N 1 0 232.287 -0.146 20 30 BBEDRO N#Cc1cncc(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000599198951 349116740 /nfs/dbraw/zinc/11/67/40/349116740.db2.gz CFBLRVYJQKSKRO-JTQLQIEISA-N 1 0 233.275 -0.173 20 30 BBEDRO N#Cc1cnnc(NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000599198963 412276334 /nfs/dbraw/zinc/27/63/34/412276334.db2.gz CQMIWGNVHMHWSN-JTQLQIEISA-N 1 0 233.275 -0.173 20 30 BBEDRO N#Cc1cc(NCC[N@H+]2CC[C@H](O)C2)ncn1 ZINC000599198971 412253270 /nfs/dbraw/zinc/25/32/70/412253270.db2.gz DARJTKFEBLFYEX-JTQLQIEISA-N 1 0 233.275 -0.173 20 30 BBEDRO N#Cc1cncnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199674 349116488 /nfs/dbraw/zinc/11/64/88/349116488.db2.gz PJABFOWNZNRBQN-JTQLQIEISA-N 1 0 233.275 -0.751 20 30 BBEDRO Cc1cc(C#N)nc(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000599199677 411265051 /nfs/dbraw/zinc/26/50/51/411265051.db2.gz PNWAYFHCFFMXFC-NSHDSACASA-N 1 0 247.302 0.135 20 30 BBEDRO N#Cc1nccc(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000599199841 349117380 /nfs/dbraw/zinc/11/73/80/349117380.db2.gz SJBUDYAZESCKIA-VIFPVBQESA-N 1 0 233.275 -0.751 20 30 BBEDRO N#Cc1nccnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599200161 349117254 /nfs/dbraw/zinc/11/72/54/349117254.db2.gz YRMMPVLPZPQRKU-VIFPVBQESA-N 1 0 233.275 -0.173 20 30 BBEDRO N#Cc1cnccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599200178 349117437 /nfs/dbraw/zinc/11/74/37/349117437.db2.gz ZPEHHMMSEXLQPJ-NSHDSACASA-N 1 0 232.287 -0.146 20 30 BBEDRO CNC(=O)C1C[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000599366974 349160847 /nfs/dbraw/zinc/16/08/47/349160847.db2.gz ZJAMXEQPFPYBMF-JTQLQIEISA-N 1 0 237.303 -0.281 20 30 BBEDRO CNC(=O)C1C[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000599366975 349161107 /nfs/dbraw/zinc/16/11/07/349161107.db2.gz ZJAMXEQPFPYBMF-SNVBAGLBSA-N 1 0 237.303 -0.281 20 30 BBEDRO C[N@H+](CCOCCO)C[C@H](O)CC1(C#N)CC1 ZINC000599401121 349172362 /nfs/dbraw/zinc/17/23/62/349172362.db2.gz MLPRBQBBBGXJFO-LLVKDONJSA-N 1 0 242.319 -0.018 20 30 BBEDRO C[N@H+](CCOCCO)C[C@@H](O)CC1(C#N)CC1 ZINC000599401122 349172382 /nfs/dbraw/zinc/17/23/82/349172382.db2.gz MLPRBQBBBGXJFO-NSHDSACASA-N 1 0 242.319 -0.018 20 30 BBEDRO CC1(C(N)=O)C[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000599455309 349189410 /nfs/dbraw/zinc/18/94/10/349189410.db2.gz MBCPIZXXSDZNPO-SECBINFHSA-N 1 0 237.303 -0.152 20 30 BBEDRO CC1(C(N)=O)C[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000599455310 349189468 /nfs/dbraw/zinc/18/94/68/349189468.db2.gz MBCPIZXXSDZNPO-VIFPVBQESA-N 1 0 237.303 -0.152 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CC(=O)OCC ZINC000599481964 349202760 /nfs/dbraw/zinc/20/27/60/349202760.db2.gz PYAVHMSJKDUXQI-BDAKNGLRSA-N 1 0 217.265 -0.563 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CC(=O)OCC ZINC000599481965 349202766 /nfs/dbraw/zinc/20/27/66/349202766.db2.gz PYAVHMSJKDUXQI-RKDXNWHRSA-N 1 0 217.265 -0.563 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531835 349210555 /nfs/dbraw/zinc/21/05/55/349210555.db2.gz RFWGONRDORLAQS-GUBZILKMSA-N 1 0 228.292 -0.675 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531836 349210428 /nfs/dbraw/zinc/21/04/28/349210428.db2.gz RFWGONRDORLAQS-UTLUCORTSA-N 1 0 228.292 -0.675 20 30 BBEDRO N#CCCn1ccc(NC(=O)N[C@@H]2CC[NH2+]C2)n1 ZINC000599599427 412237208 /nfs/dbraw/zinc/23/72/08/412237208.db2.gz OHEANVDQJPPONO-SECBINFHSA-N 1 0 248.290 0.280 20 30 BBEDRO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639447 349237814 /nfs/dbraw/zinc/23/78/14/349237814.db2.gz DIXJPDOKRUMFMG-CMPLNLGQSA-N 1 0 237.303 -0.279 20 30 BBEDRO N#CCNC(=O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681911 349243959 /nfs/dbraw/zinc/24/39/59/349243959.db2.gz RFSKJVLFVDMESW-IQJOONFLSA-N 1 0 223.276 -0.529 20 30 BBEDRO N#CCCCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599911712 349269998 /nfs/dbraw/zinc/26/99/98/349269998.db2.gz DXXSMVCEIUDLQY-JTQLQIEISA-N 1 0 240.307 -0.032 20 30 BBEDRO N#CCCCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599911713 349270007 /nfs/dbraw/zinc/27/00/07/349270007.db2.gz DXXSMVCEIUDLQY-SNVBAGLBSA-N 1 0 240.307 -0.032 20 30 BBEDRO N#CC1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000599916117 349270766 /nfs/dbraw/zinc/27/07/66/349270766.db2.gz JGLRCQATOSXMHA-SECBINFHSA-N 1 0 238.291 -0.422 20 30 BBEDRO N#CC1(CNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000599916118 349270567 /nfs/dbraw/zinc/27/05/67/349270567.db2.gz JGLRCQATOSXMHA-VIFPVBQESA-N 1 0 238.291 -0.422 20 30 BBEDRO C[NH2+]CCOCCNC(=O)NCC1(C#N)CC1 ZINC000599916560 349270780 /nfs/dbraw/zinc/27/07/80/349270780.db2.gz OFELNFIONRPEKK-UHFFFAOYSA-N 1 0 240.307 -0.175 20 30 BBEDRO N#CC1(CNC(=O)NCCOCCC[NH3+])CC1 ZINC000599917048 349270662 /nfs/dbraw/zinc/27/06/62/349270662.db2.gz RLQBZBAWTAXMOR-UHFFFAOYSA-N 1 0 240.307 -0.045 20 30 BBEDRO CC(C)(C#N)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599917188 349270582 /nfs/dbraw/zinc/27/05/82/349270582.db2.gz GZJPWXHREOGSTF-SECBINFHSA-N 1 0 240.307 -0.176 20 30 BBEDRO CC(C)(C#N)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599917193 349270679 /nfs/dbraw/zinc/27/06/79/349270679.db2.gz GZJPWXHREOGSTF-VIFPVBQESA-N 1 0 240.307 -0.176 20 30 BBEDRO C[NH2+]CCOCCNC(=O)NCCCC#N ZINC000599917406 349270759 /nfs/dbraw/zinc/27/07/59/349270759.db2.gz JRAXQLNRYZZJPH-UHFFFAOYSA-N 1 0 228.296 -0.175 20 30 BBEDRO N#CC1(CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000599917809 349270623 /nfs/dbraw/zinc/27/06/23/349270623.db2.gz XNAUQPNCTNMUSE-MRVPVSSYSA-N 1 0 208.265 -0.049 20 30 BBEDRO N#CCCCNC(=O)NCCOCCC[NH3+] ZINC000599917835 349270675 /nfs/dbraw/zinc/27/06/75/349270675.db2.gz KHNSHMAIEOBSEH-UHFFFAOYSA-N 1 0 228.296 -0.045 20 30 BBEDRO CN(CCOCC[NH3+])C(=O)NCC1(C#N)CC1 ZINC000599918083 349270502 /nfs/dbraw/zinc/27/05/02/349270502.db2.gz YNNCVQMFPNBRCB-UHFFFAOYSA-N 1 0 240.307 -0.093 20 30 BBEDRO N#CCCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599919392 349271549 /nfs/dbraw/zinc/27/15/49/349271549.db2.gz VMURSGBRHIGKQT-SECBINFHSA-N 1 0 226.280 -0.422 20 30 BBEDRO N#CCCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599919393 349271503 /nfs/dbraw/zinc/27/15/03/349271503.db2.gz VMURSGBRHIGKQT-VIFPVBQESA-N 1 0 226.280 -0.422 20 30 BBEDRO CN(CCOCC[NH3+])C(=O)NCCCC#N ZINC000599919951 349271201 /nfs/dbraw/zinc/27/12/01/349271201.db2.gz XPKPXEGHEKIJEJ-UHFFFAOYSA-N 1 0 228.296 -0.093 20 30 BBEDRO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599932259 487970227 /nfs/dbraw/zinc/97/02/27/487970227.db2.gz PXFVMMRKMXIOIU-NXEZZACHSA-N 1 0 240.307 -0.224 20 30 BBEDRO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000599932260 487970297 /nfs/dbraw/zinc/97/02/97/487970297.db2.gz PXFVMMRKMXIOIU-UWVGGRQHSA-N 1 0 240.307 -0.224 20 30 BBEDRO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599932261 487970177 /nfs/dbraw/zinc/97/01/77/487970177.db2.gz PXFVMMRKMXIOIU-VHSXEESVSA-N 1 0 240.307 -0.224 20 30 BBEDRO C[C@H](C#N)CN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000599932262 487970666 /nfs/dbraw/zinc/97/06/66/487970666.db2.gz PXFVMMRKMXIOIU-ZJUUUORDSA-N 1 0 240.307 -0.224 20 30 BBEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@H](C#N)C1 ZINC000599937328 398045270 /nfs/dbraw/zinc/04/52/70/398045270.db2.gz AGYGSUMGFXXSSI-IVZWLZJFSA-N 1 0 238.291 -0.329 20 30 BBEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000599937331 398045621 /nfs/dbraw/zinc/04/56/21/398045621.db2.gz AGYGSUMGFXXSSI-LPEHRKFASA-N 1 0 238.291 -0.329 20 30 BBEDRO N#C[C@]1(F)CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000599938569 398045704 /nfs/dbraw/zinc/04/57/04/398045704.db2.gz QFNYFJFCBFULFH-PSASIEDQSA-N 1 0 226.255 -0.005 20 30 BBEDRO N#C[C@@]1(F)CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000599938570 398045286 /nfs/dbraw/zinc/04/52/86/398045286.db2.gz QFNYFJFCBFULFH-SCZZXKLOSA-N 1 0 226.255 -0.005 20 30 BBEDRO N#C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000599940649 349272906 /nfs/dbraw/zinc/27/29/06/349272906.db2.gz RGEBIKOVGWAMLN-BDAKNGLRSA-N 1 0 224.264 -0.718 20 30 BBEDRO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000599940650 349273235 /nfs/dbraw/zinc/27/32/35/349273235.db2.gz RGEBIKOVGWAMLN-RKDXNWHRSA-N 1 0 224.264 -0.718 20 30 BBEDRO CC[C@H](C#N)C(=O)NC[C@@H]1COCCN1C ZINC000600419204 343959370 /nfs/dbraw/zinc/95/93/70/343959370.db2.gz FTUYDSFHEUQFNJ-NXEZZACHSA-N 1 0 225.292 -0.017 20 30 BBEDRO CC[C@@H](C#N)C(=O)NC[C@H]1COCCN1C ZINC000600419205 343959453 /nfs/dbraw/zinc/95/94/53/343959453.db2.gz FTUYDSFHEUQFNJ-UWVGGRQHSA-N 1 0 225.292 -0.017 20 30 BBEDRO CC[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C ZINC000600419207 343959414 /nfs/dbraw/zinc/95/94/14/343959414.db2.gz FTUYDSFHEUQFNJ-VHSXEESVSA-N 1 0 225.292 -0.017 20 30 BBEDRO CC[C@H](C#N)C(=O)NC[C@H]1COCCN1C ZINC000600419208 343959216 /nfs/dbraw/zinc/95/92/16/343959216.db2.gz FTUYDSFHEUQFNJ-ZJUUUORDSA-N 1 0 225.292 -0.017 20 30 BBEDRO N#CC1(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000600530413 344258730 /nfs/dbraw/zinc/25/87/30/344258730.db2.gz AQPKPPRGNHWQHS-SNVBAGLBSA-N 1 0 237.303 -0.137 20 30 BBEDRO C[C@H](CC#N)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600530436 344258939 /nfs/dbraw/zinc/25/89/39/344258939.db2.gz BEAPASWQTDOLIL-NXEZZACHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@@H](CC#N)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600530437 344258868 /nfs/dbraw/zinc/25/88/68/344258868.db2.gz BEAPASWQTDOLIL-VHSXEESVSA-N 1 0 225.292 -0.281 20 30 BBEDRO N#Cc1c[nH]c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000600531138 369543501 /nfs/dbraw/zinc/54/35/01/369543501.db2.gz DPOJDPBOGKLJPY-SNVBAGLBSA-N 1 0 248.286 -0.317 20 30 BBEDRO CC[C@H](C#N)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600534092 344261989 /nfs/dbraw/zinc/26/19/89/344261989.db2.gz LVZHVIHJTYQZAJ-NXEZZACHSA-N 1 0 225.292 -0.281 20 30 BBEDRO CC[C@@H](C#N)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600534093 344261802 /nfs/dbraw/zinc/26/18/02/344261802.db2.gz LVZHVIHJTYQZAJ-VHSXEESVSA-N 1 0 225.292 -0.281 20 30 BBEDRO N#CCCCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600534111 344261890 /nfs/dbraw/zinc/26/18/90/344261890.db2.gz MRJJBESHOUMATQ-SNVBAGLBSA-N 1 0 225.292 -0.137 20 30 BBEDRO N#Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)[nH]1 ZINC000600534220 369543542 /nfs/dbraw/zinc/54/35/42/369543542.db2.gz LQTMZXIZYWTLKT-SNVBAGLBSA-N 1 0 248.286 -0.317 20 30 BBEDRO N#CC1(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CCC1 ZINC000600534291 344262138 /nfs/dbraw/zinc/26/21/38/344262138.db2.gz MTQBLZQARCABFB-SNVBAGLBSA-N 1 0 237.303 -0.137 20 30 BBEDRO CC(C)(C#N)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600535225 344259679 /nfs/dbraw/zinc/25/96/79/344259679.db2.gz YBLURMVQWCLFQN-SECBINFHSA-N 1 0 225.292 -0.281 20 30 BBEDRO N#Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c[nH]1 ZINC000600535564 369542270 /nfs/dbraw/zinc/54/22/70/369542270.db2.gz PRTBCNJEEZUBAN-LLVKDONJSA-N 1 0 248.286 -0.317 20 30 BBEDRO C[C@@H]1[NH2+]CC[C@H]1Nc1ncncc1C#N ZINC000600675236 369555942 /nfs/dbraw/zinc/55/59/42/369555942.db2.gz KGCUCHXZGREQDC-IONNQARKSA-N 1 0 203.249 -0.068 20 30 BBEDRO N#Cc1c[nH]c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000600698416 344359120 /nfs/dbraw/zinc/35/91/20/344359120.db2.gz DPOJDPBOGKLJPY-JTQLQIEISA-N 1 0 248.286 -0.317 20 30 BBEDRO N#Cc1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c[nH]1 ZINC000600701649 369559366 /nfs/dbraw/zinc/55/93/66/369559366.db2.gz PRTBCNJEEZUBAN-NSHDSACASA-N 1 0 248.286 -0.317 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N(CC)CC[NH3+] ZINC000600717179 344362020 /nfs/dbraw/zinc/36/20/20/344362020.db2.gz ORDHFAMQWYIXPG-SECBINFHSA-N 1 0 242.323 -0.333 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)N(CC)CC[NH3+] ZINC000600717180 344362108 /nfs/dbraw/zinc/36/21/08/344362108.db2.gz ORDHFAMQWYIXPG-VIFPVBQESA-N 1 0 242.323 -0.333 20 30 BBEDRO CN1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC1=O ZINC000600725888 344363516 /nfs/dbraw/zinc/36/35/16/344363516.db2.gz ZAKBNHKXIWIKQB-NXEZZACHSA-N 1 0 237.303 -0.139 20 30 BBEDRO CN1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1=O ZINC000600725890 344363444 /nfs/dbraw/zinc/36/34/44/344363444.db2.gz ZAKBNHKXIWIKQB-UWVGGRQHSA-N 1 0 237.303 -0.139 20 30 BBEDRO CN1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC1=O ZINC000600725892 344363799 /nfs/dbraw/zinc/36/37/99/344363799.db2.gz ZAKBNHKXIWIKQB-VHSXEESVSA-N 1 0 237.303 -0.139 20 30 BBEDRO CN1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1=O ZINC000600725893 344363415 /nfs/dbraw/zinc/36/34/15/344363415.db2.gz ZAKBNHKXIWIKQB-ZJUUUORDSA-N 1 0 237.303 -0.139 20 30 BBEDRO C[C@](O)(CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600740762 344366825 /nfs/dbraw/zinc/36/68/25/344366825.db2.gz BBPBIVXGIRIAOX-NXEZZACHSA-N 1 0 228.292 -0.626 20 30 BBEDRO C[C@@](O)(CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600740763 344366932 /nfs/dbraw/zinc/36/69/32/344366932.db2.gz BBPBIVXGIRIAOX-UWVGGRQHSA-N 1 0 228.292 -0.626 20 30 BBEDRO C[C@](O)(CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600740764 344366910 /nfs/dbraw/zinc/36/69/10/344366910.db2.gz BBPBIVXGIRIAOX-VHSXEESVSA-N 1 0 228.292 -0.626 20 30 BBEDRO C[C@@](O)(CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600740765 344366865 /nfs/dbraw/zinc/36/68/65/344366865.db2.gz BBPBIVXGIRIAOX-ZJUUUORDSA-N 1 0 228.292 -0.626 20 30 BBEDRO N#CC1(C[C@H](O)C[NH2+]CC#CCO)CC1 ZINC000600742917 344367357 /nfs/dbraw/zinc/36/73/57/344367357.db2.gz KTLZHAKUNLOOND-JTQLQIEISA-N 1 0 208.261 -0.374 20 30 BBEDRO N#CC1(C[C@@H](O)C[NH2+]CC#CCO)CC1 ZINC000600742968 344367573 /nfs/dbraw/zinc/36/75/73/344367573.db2.gz KTLZHAKUNLOOND-SNVBAGLBSA-N 1 0 208.261 -0.374 20 30 BBEDRO CC(CO)(CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600744069 344367913 /nfs/dbraw/zinc/36/79/13/344367913.db2.gz NIYQOWTUNLOPOU-JTQLQIEISA-N 1 0 242.319 -0.378 20 30 BBEDRO CC(CO)(CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600744072 344367848 /nfs/dbraw/zinc/36/78/48/344367848.db2.gz NIYQOWTUNLOPOU-SNVBAGLBSA-N 1 0 242.319 -0.378 20 30 BBEDRO CN(C)C[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600750029 344368246 /nfs/dbraw/zinc/36/82/46/344368246.db2.gz TYORIXKNWAIMDC-GHMZBOCLSA-N 1 0 241.335 -0.447 20 30 BBEDRO CN(C)C[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600750030 344368250 /nfs/dbraw/zinc/36/82/50/344368250.db2.gz TYORIXKNWAIMDC-MNOVXSKESA-N 1 0 241.335 -0.447 20 30 BBEDRO CN(C)C[C@@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600750032 344368464 /nfs/dbraw/zinc/36/84/64/344368464.db2.gz TYORIXKNWAIMDC-QWRGUYRKSA-N 1 0 241.335 -0.447 20 30 BBEDRO CN(C)C[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600750033 344368282 /nfs/dbraw/zinc/36/82/82/344368282.db2.gz TYORIXKNWAIMDC-WDEREUQCSA-N 1 0 241.335 -0.447 20 30 BBEDRO N#CCCNCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600758452 344369196 /nfs/dbraw/zinc/36/91/96/344369196.db2.gz ZMVKCGSQEBQEMW-JTQLQIEISA-N 1 0 224.308 -0.171 20 30 BBEDRO CO[C@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000600760593 344369776 /nfs/dbraw/zinc/36/97/76/344369776.db2.gz LRRSQECSLDZXBS-IJLUTSLNSA-N 1 0 241.335 -0.040 20 30 BBEDRO CO[C@H]1C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000600760604 344369799 /nfs/dbraw/zinc/36/97/99/344369799.db2.gz LRRSQECSLDZXBS-SRVKXCTJSA-N 1 0 241.335 -0.040 20 30 BBEDRO CN(Cc1ccc(C#N)o1)C[C@H](O)C[NH3+] ZINC000600767325 369563723 /nfs/dbraw/zinc/56/37/23/369563723.db2.gz ARANAWKBUWIROK-MRVPVSSYSA-N 1 0 209.249 -0.097 20 30 BBEDRO CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000600795994 344374735 /nfs/dbraw/zinc/37/47/35/344374735.db2.gz DFZWKSBIHBYMOW-SECBINFHSA-N 1 0 240.307 -0.588 20 30 BBEDRO CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000600795996 344374537 /nfs/dbraw/zinc/37/45/37/344374537.db2.gz DFZWKSBIHBYMOW-VIFPVBQESA-N 1 0 240.307 -0.588 20 30 BBEDRO N#CC1(CC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000600807304 344376905 /nfs/dbraw/zinc/37/69/05/344376905.db2.gz AQPKPPRGNHWQHS-JTQLQIEISA-N 1 0 237.303 -0.137 20 30 BBEDRO C[C@@H](CC#N)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600807357 344377014 /nfs/dbraw/zinc/37/70/14/344377014.db2.gz BEAPASWQTDOLIL-UWVGGRQHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@H](CC#N)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600807359 344376963 /nfs/dbraw/zinc/37/69/63/344376963.db2.gz BEAPASWQTDOLIL-ZJUUUORDSA-N 1 0 225.292 -0.281 20 30 BBEDRO CC[C@@H](C#N)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808367 344377367 /nfs/dbraw/zinc/37/73/67/344377367.db2.gz LVZHVIHJTYQZAJ-UWVGGRQHSA-N 1 0 225.292 -0.281 20 30 BBEDRO CC[C@H](C#N)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808368 344377251 /nfs/dbraw/zinc/37/72/51/344377251.db2.gz LVZHVIHJTYQZAJ-ZJUUUORDSA-N 1 0 225.292 -0.281 20 30 BBEDRO N#CCCCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808399 344377325 /nfs/dbraw/zinc/37/73/25/344377325.db2.gz MRJJBESHOUMATQ-JTQLQIEISA-N 1 0 225.292 -0.137 20 30 BBEDRO N#CC1(C(=O)NCC[N@H+]2CC[C@H](O)C2)CCC1 ZINC000600808402 344377502 /nfs/dbraw/zinc/37/75/02/344377502.db2.gz MTQBLZQARCABFB-JTQLQIEISA-N 1 0 237.303 -0.137 20 30 BBEDRO CC(C)(C#N)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600810308 344378910 /nfs/dbraw/zinc/37/89/10/344378910.db2.gz YBLURMVQWCLFQN-VIFPVBQESA-N 1 0 225.292 -0.281 20 30 BBEDRO C[N@H+](CC(=O)NCC(=O)NCC#N)C1CCC1 ZINC000600825112 344381616 /nfs/dbraw/zinc/38/16/16/344381616.db2.gz JPHAYVQECYIUPK-UHFFFAOYSA-N 1 0 238.291 -0.773 20 30 BBEDRO N#Cc1cncnc1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600883779 369572001 /nfs/dbraw/zinc/57/20/01/369572001.db2.gz BEZBMIPHQZXPRO-IUCAKERBSA-N 1 0 201.233 -0.101 20 30 BBEDRO N#Cc1cncc(N2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC000600888213 369571819 /nfs/dbraw/zinc/57/18/19/369571819.db2.gz VSFLPEKAMKBEAH-CBAPKCEASA-N 1 0 201.233 -0.101 20 30 BBEDRO N#Cc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)ncn1 ZINC000600961791 369581666 /nfs/dbraw/zinc/58/16/66/369581666.db2.gz SEDQZFPNBHXIKJ-IUCAKERBSA-N 1 0 201.233 -0.101 20 30 BBEDRO C[NH+](C)CCn1cc(C(=O)NCC#N)cn1 ZINC000601027617 346001118 /nfs/dbraw/zinc/00/11/18/346001118.db2.gz ZTWXOHPQPAJXCR-UHFFFAOYSA-N 1 0 221.264 -0.302 20 30 BBEDRO Cc1cc(C#N)cc(N2CCN[C@@H](C(N)=O)C2)n1 ZINC000601101798 369590858 /nfs/dbraw/zinc/59/08/58/369590858.db2.gz UOZRJSCCJDKUCW-SNVBAGLBSA-N 1 0 245.286 -0.475 20 30 BBEDRO C=CCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601205401 346665619 /nfs/dbraw/zinc/66/56/19/346665619.db2.gz VPVXVOVPLXBSTN-UHFFFAOYSA-N 1 0 227.308 -0.072 20 30 BBEDRO CNS(=O)(=O)CCC[NH2+][C@H](C)CC#N ZINC000601240736 347037409 /nfs/dbraw/zinc/03/74/09/347037409.db2.gz WOFVSGAABPKJOX-MRVPVSSYSA-N 1 0 219.310 -0.183 20 30 BBEDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)CC#N ZINC000601240740 347037656 /nfs/dbraw/zinc/03/76/56/347037656.db2.gz WOFVSGAABPKJOX-QMMMGPOBSA-N 1 0 219.310 -0.183 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601326358 347208909 /nfs/dbraw/zinc/20/89/09/347208909.db2.gz AYGPNEVAIIEVGQ-IUCAKERBSA-N 1 0 238.291 -0.956 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1C[C@@H]([NH3+])C[C@H]1C ZINC000601329155 347218783 /nfs/dbraw/zinc/21/87/83/347218783.db2.gz GBOOVDXUBORABC-BDAKNGLRSA-N 1 0 240.307 -0.580 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1C[C@H]([NH3+])C[C@@H]1C ZINC000601329156 347218710 /nfs/dbraw/zinc/21/87/10/347218710.db2.gz GBOOVDXUBORABC-DTWKUNHWSA-N 1 0 240.307 -0.580 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000601329157 347218803 /nfs/dbraw/zinc/21/88/03/347218803.db2.gz GBOOVDXUBORABC-IUCAKERBSA-N 1 0 240.307 -0.580 20 30 BBEDRO C=CCNC(=O)NC(=O)CN1C[C@H]([NH3+])C[C@H]1C ZINC000601329158 347218667 /nfs/dbraw/zinc/21/86/67/347218667.db2.gz GBOOVDXUBORABC-RKDXNWHRSA-N 1 0 240.307 -0.580 20 30 BBEDRO N#CCc1ccccc1S(=O)(=O)NCC[NH3+] ZINC000601337470 347231671 /nfs/dbraw/zinc/23/16/71/347231671.db2.gz AHOLJTHXTMQGPK-UHFFFAOYSA-N 1 0 239.300 -0.010 20 30 BBEDRO CN(CCC#N)S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601346587 347240569 /nfs/dbraw/zinc/24/05/69/347240569.db2.gz SLZDMBSVSHPLRT-IUCAKERBSA-N 1 0 244.320 -0.877 20 30 BBEDRO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)N(C)CCC#N ZINC000601346866 347241271 /nfs/dbraw/zinc/24/12/71/347241271.db2.gz ASVALFFHRXRCAD-BDAKNGLRSA-N 1 0 246.336 -0.502 20 30 BBEDRO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N(C)CCC#N ZINC000601346867 347241262 /nfs/dbraw/zinc/24/12/62/347241262.db2.gz ASVALFFHRXRCAD-DTWKUNHWSA-N 1 0 246.336 -0.502 20 30 BBEDRO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)N(C)CCC#N ZINC000601346868 347241753 /nfs/dbraw/zinc/24/17/53/347241753.db2.gz ASVALFFHRXRCAD-IUCAKERBSA-N 1 0 246.336 -0.502 20 30 BBEDRO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N(C)CCC#N ZINC000601346869 347241261 /nfs/dbraw/zinc/24/12/61/347241261.db2.gz ASVALFFHRXRCAD-RKDXNWHRSA-N 1 0 246.336 -0.502 20 30 BBEDRO C[NH+](C)CCCS(=O)(=O)N1CC(C#N)C1 ZINC000601421731 347338937 /nfs/dbraw/zinc/33/89/37/347338937.db2.gz MGJNRKXTTMWAOS-UHFFFAOYSA-N 1 0 231.321 -0.277 20 30 BBEDRO CC[C@@H]1[C@@H](C(=O)N[C@H](C#N)CO)CC[N@@H+]1C ZINC000601625685 349309057 /nfs/dbraw/zinc/30/90/57/349309057.db2.gz WTDNCMWBQLFORI-KXUCPTDWSA-N 1 0 225.292 -0.283 20 30 BBEDRO CC[C@@H]1[C@@H](C(=O)N[C@@H](C#N)CO)CC[N@@H+]1C ZINC000601625686 349309044 /nfs/dbraw/zinc/30/90/44/349309044.db2.gz WTDNCMWBQLFORI-LPEHRKFASA-N 1 0 225.292 -0.283 20 30 BBEDRO CCN1CCO[C@@H](C(=O)Nc2n[nH]cc2C#N)C1 ZINC000601640610 411636969 /nfs/dbraw/zinc/63/69/69/411636969.db2.gz ISMWNPFPQWINGV-SECBINFHSA-N 1 0 249.274 -0.059 20 30 BBEDRO CCN1CCO[C@H](C(=O)Nc2n[nH]cc2C#N)C1 ZINC000601640611 411635272 /nfs/dbraw/zinc/63/52/72/411635272.db2.gz ISMWNPFPQWINGV-VIFPVBQESA-N 1 0 249.274 -0.059 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1COC[C@@H]1O ZINC000601967573 349404835 /nfs/dbraw/zinc/40/48/35/349404835.db2.gz KMWIABLXRAJQRO-AEJSXWLSSA-N 1 0 228.292 -0.364 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1O ZINC000601967584 349404748 /nfs/dbraw/zinc/40/47/48/349404748.db2.gz KMWIABLXRAJQRO-BBBLOLIVSA-N 1 0 228.292 -0.364 20 30 BBEDRO CNS(=O)(=O)CCC[NH2+]CCC#N ZINC000601970294 349407772 /nfs/dbraw/zinc/40/77/72/349407772.db2.gz VWCDMZRLSBNMJL-UHFFFAOYSA-N 1 0 205.283 -0.571 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1O ZINC000601970851 349407588 /nfs/dbraw/zinc/40/75/88/349407588.db2.gz ZXUHDAIHBDHLDJ-SRVKXCTJSA-N 1 0 241.335 -0.304 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1O ZINC000601970852 349408007 /nfs/dbraw/zinc/40/80/07/349408007.db2.gz ZXUHDAIHBDHLDJ-WOPDTQHZSA-N 1 0 241.335 -0.304 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601972656 349409544 /nfs/dbraw/zinc/40/95/44/349409544.db2.gz HVIFJLIZQKAIAG-DTORHVGOSA-N 1 0 209.249 -0.796 20 30 BBEDRO C[C@@H]1[NH2+]CC[C@H]1Nc1ccnc(C#N)n1 ZINC000601983806 398062160 /nfs/dbraw/zinc/06/21/60/398062160.db2.gz OQXJDPDGMNUWKQ-JGVFFNPUSA-N 1 0 203.249 -0.068 20 30 BBEDRO N#Cc1nccc(N2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC000601985822 369731654 /nfs/dbraw/zinc/73/16/54/369731654.db2.gz ZBZSUNOSVFPSLW-YUMQZZPRSA-N 1 0 201.233 -0.101 20 30 BBEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(N)=O ZINC000602082086 349431241 /nfs/dbraw/zinc/43/12/41/349431241.db2.gz GBQOOXVPHJFLCU-UHFFFAOYSA-N 1 0 226.280 -0.834 20 30 BBEDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCC#N ZINC000602085891 349433607 /nfs/dbraw/zinc/43/36/07/349433607.db2.gz LAPHGSKHBVHLCT-UHFFFAOYSA-N 1 0 225.292 -0.015 20 30 BBEDRO COCCOCC[N@H+](C)CCC(=O)NCC#N ZINC000602087157 349434416 /nfs/dbraw/zinc/43/44/16/349434416.db2.gz UYKVKIXNMCMVDI-UHFFFAOYSA-N 1 0 243.307 -0.389 20 30 BBEDRO C[C@H](C(=O)N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC000602096114 385765190 /nfs/dbraw/zinc/76/51/90/385765190.db2.gz IRMIYJBVFGYLDE-BDAKNGLRSA-N 1 0 211.265 -0.313 20 30 BBEDRO C[C@H](C(=O)N1CCO[C@H](C#N)C1)[NH+](C)C ZINC000602096115 385766825 /nfs/dbraw/zinc/76/68/25/385766825.db2.gz IRMIYJBVFGYLDE-RKDXNWHRSA-N 1 0 211.265 -0.313 20 30 BBEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC000602097894 349439667 /nfs/dbraw/zinc/43/96/67/349439667.db2.gz PXXVYOFPZGUZOP-AOOOYVTPSA-N 1 0 237.303 -0.139 20 30 BBEDRO C[C@H](C(=O)N1CCN(CC#N)CC1)[NH+](C)C ZINC000602102526 349441446 /nfs/dbraw/zinc/44/14/46/349441446.db2.gz JNRDAYZJDWGZOS-SNVBAGLBSA-N 1 0 224.308 -0.396 20 30 BBEDRO COC(=O)CN(CC#N)C(=O)[C@@H](C)[NH+](C)C ZINC000602102995 349442301 /nfs/dbraw/zinc/44/23/01/349442301.db2.gz NTCRWWHNZUQZQR-MRVPVSSYSA-N 1 0 227.264 -0.538 20 30 BBEDRO C[C@H](C(=O)N1CCOC[C@@H]1C#N)[NH+](C)C ZINC000602105923 349442848 /nfs/dbraw/zinc/44/28/48/349442848.db2.gz BKWOTOLHYMBKAU-BDAKNGLRSA-N 1 0 211.265 -0.313 20 30 BBEDRO C[C@H](C(=O)N1CCOC[C@H]1C#N)[NH+](C)C ZINC000602105924 349442967 /nfs/dbraw/zinc/44/29/67/349442967.db2.gz BKWOTOLHYMBKAU-RKDXNWHRSA-N 1 0 211.265 -0.313 20 30 BBEDRO COC[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C ZINC000602123017 349455461 /nfs/dbraw/zinc/45/54/61/349455461.db2.gz SSSOZLXXDPWAHB-PSASIEDQSA-N 1 0 213.281 -0.019 20 30 BBEDRO COC[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C ZINC000602123032 349455443 /nfs/dbraw/zinc/45/54/43/349455443.db2.gz SSSOZLXXDPWAHB-SCZZXKLOSA-N 1 0 213.281 -0.019 20 30 BBEDRO C[NH+](C)CC1(C(=O)NCC(=O)NCC#N)CC1 ZINC000602153483 349463061 /nfs/dbraw/zinc/46/30/61/349463061.db2.gz RTYOVHLMRHCUOV-UHFFFAOYSA-N 1 0 238.291 -0.916 20 30 BBEDRO COCCN(CC#N)C(=O)[C@@H](C)[NH+](C)C ZINC000602157304 349464719 /nfs/dbraw/zinc/46/47/19/349464719.db2.gz FSZRALSWIRWRLQ-SECBINFHSA-N 1 0 213.281 -0.065 20 30 BBEDRO COCCN(CC#N)C(=O)[C@H](C)[NH+](C)C ZINC000602157305 349464821 /nfs/dbraw/zinc/46/48/21/349464821.db2.gz FSZRALSWIRWRLQ-VIFPVBQESA-N 1 0 213.281 -0.065 20 30 BBEDRO N#C[C@@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000602158262 349464853 /nfs/dbraw/zinc/46/48/53/349464853.db2.gz LNCOGDFVVBEIJU-JTQLQIEISA-N 1 0 237.303 -0.137 20 30 BBEDRO N#C[C@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000602158264 349464531 /nfs/dbraw/zinc/46/45/31/349464531.db2.gz LNCOGDFVVBEIJU-SNVBAGLBSA-N 1 0 237.303 -0.137 20 30 BBEDRO C[N@H+](CC(=O)N[C@H](C#N)CO)CC(C)(C)C ZINC000602158475 349465733 /nfs/dbraw/zinc/46/57/33/349465733.db2.gz MKLQCCIJOZMGPS-SECBINFHSA-N 1 0 227.308 -0.035 20 30 BBEDRO C[N@H+](CC(=O)N[C@@H](C#N)CO)CC(C)(C)C ZINC000602158482 349465669 /nfs/dbraw/zinc/46/56/69/349465669.db2.gz MKLQCCIJOZMGPS-VIFPVBQESA-N 1 0 227.308 -0.035 20 30 BBEDRO C[C@H](C(=O)N1CC[C@@](O)(CC#N)C1)[NH+](C)C ZINC000602165719 487987020 /nfs/dbraw/zinc/98/70/20/487987020.db2.gz DEQGSPLBFQOHCA-KOLCDFICSA-N 1 0 225.292 -0.186 20 30 BBEDRO C[C@H](C(=O)N1CC[C@](O)(CC#N)C1)[NH+](C)C ZINC000602165726 487986892 /nfs/dbraw/zinc/98/68/92/487986892.db2.gz DEQGSPLBFQOHCA-MWLCHTKSSA-N 1 0 225.292 -0.186 20 30 BBEDRO CN(CC(=O)N1CCN(C)CC1)C(=O)CC#N ZINC000602195409 349472396 /nfs/dbraw/zinc/47/23/96/349472396.db2.gz RVNJKUCFKNZMBQ-UHFFFAOYSA-N 1 0 238.291 -0.868 20 30 BBEDRO C[C@H](C(=O)N1CCN(CCC#N)CC1)[NH+](C)C ZINC000602199555 349473637 /nfs/dbraw/zinc/47/36/37/349473637.db2.gz ZRYUXFYKBJWXOH-LLVKDONJSA-N 1 0 238.335 -0.006 20 30 BBEDRO C[C@@H](C(=O)N1CCN(CCC#N)CC1)[NH+](C)C ZINC000602199556 349473902 /nfs/dbraw/zinc/47/39/02/349473902.db2.gz ZRYUXFYKBJWXOH-NSHDSACASA-N 1 0 238.335 -0.006 20 30 BBEDRO C[C@H](C#N)CNC(=O)NC[C@@H]1COCCN1C ZINC000602289059 349495337 /nfs/dbraw/zinc/49/53/37/349495337.db2.gz ZQSMYKAJLBTLMS-NXEZZACHSA-N 1 0 240.307 -0.224 20 30 BBEDRO C[C@@H](C#N)CNC(=O)NC[C@H]1COCCN1C ZINC000602289061 349495284 /nfs/dbraw/zinc/49/52/84/349495284.db2.gz ZQSMYKAJLBTLMS-UWVGGRQHSA-N 1 0 240.307 -0.224 20 30 BBEDRO C[C@@H](C#N)CNC(=O)NC[C@@H]1COCCN1C ZINC000602289062 349495224 /nfs/dbraw/zinc/49/52/24/349495224.db2.gz ZQSMYKAJLBTLMS-VHSXEESVSA-N 1 0 240.307 -0.224 20 30 BBEDRO C[C@H](C#N)CNC(=O)NC[C@H]1COCCN1C ZINC000602289064 349495464 /nfs/dbraw/zinc/49/54/64/349495464.db2.gz ZQSMYKAJLBTLMS-ZJUUUORDSA-N 1 0 240.307 -0.224 20 30 BBEDRO N#Cc1ccc(CC(=O)NCCC[NH3+])cn1 ZINC000602420308 369786729 /nfs/dbraw/zinc/78/67/29/369786729.db2.gz CUJRSJVKYFKZTC-UHFFFAOYSA-N 1 0 218.260 -0.039 20 30 BBEDRO N#Cc1ccc(CC(=O)N2CC[NH2+]CC2)cn1 ZINC000602420382 369787340 /nfs/dbraw/zinc/78/73/40/369787340.db2.gz DLJCGJYGBSUZSY-UHFFFAOYSA-N 1 0 230.271 -0.072 20 30 BBEDRO N#Cc1ccc(CC(=O)N[C@@H]2CC[NH2+]C2)cn1 ZINC000602425687 369787124 /nfs/dbraw/zinc/78/71/24/369787124.db2.gz SUGUMIOUSBKPSG-LLVKDONJSA-N 1 0 230.271 -0.026 20 30 BBEDRO N#Cc1ccc(CC(=O)N[C@H]2CC[NH2+]C2)cn1 ZINC000602425688 369787308 /nfs/dbraw/zinc/78/73/08/369787308.db2.gz SUGUMIOUSBKPSG-NSHDSACASA-N 1 0 230.271 -0.026 20 30 BBEDRO N#CC1(C(=O)NCCN2CC[NH2+]CC2)CCC1 ZINC000602425913 349533086 /nfs/dbraw/zinc/53/30/86/349533086.db2.gz YCQLPVOQXFISDB-UHFFFAOYSA-N 1 0 236.319 -0.298 20 30 BBEDRO C[NH2+]CCNC(=O)Cc1ccc(C#N)nc1 ZINC000602427993 369787322 /nfs/dbraw/zinc/78/73/22/369787322.db2.gz MJCZXRHSVYNINL-UHFFFAOYSA-N 1 0 218.260 -0.169 20 30 BBEDRO C[C@H](C[NH3+])NC(=O)Cc1ccc(C#N)nc1 ZINC000602485928 369794990 /nfs/dbraw/zinc/79/49/90/369794990.db2.gz PFJODKFDMBNOID-MRVPVSSYSA-N 1 0 218.260 -0.041 20 30 BBEDRO N#CC1(C(=O)N2CCO[C@H](C[NH3+])C2)CCC1 ZINC000602487659 349569417 /nfs/dbraw/zinc/56/94/17/349569417.db2.gz VGACRGRAWSPFTP-SECBINFHSA-N 1 0 223.276 -0.134 20 30 BBEDRO N#CC1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCC1 ZINC000602487665 349568962 /nfs/dbraw/zinc/56/89/62/349568962.db2.gz VGACRGRAWSPFTP-VIFPVBQESA-N 1 0 223.276 -0.134 20 30 BBEDRO N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000602492158 369795982 /nfs/dbraw/zinc/79/59/82/369795982.db2.gz UACBJOGKCXQQNF-PJXYFTJBSA-N 1 0 242.282 -0.170 20 30 BBEDRO C[C@@H]([NH3+])CNC(=O)Cc1ccc(C#N)nc1 ZINC000602494060 369795790 /nfs/dbraw/zinc/79/57/90/369795790.db2.gz WXTPVUJJFHMDPV-MRVPVSSYSA-N 1 0 218.260 -0.041 20 30 BBEDRO C[C@H]([NH3+])CNC(=O)Cc1ccc(C#N)nc1 ZINC000602494061 369795527 /nfs/dbraw/zinc/79/55/27/369795527.db2.gz WXTPVUJJFHMDPV-QMMMGPOBSA-N 1 0 218.260 -0.041 20 30 BBEDRO N#CC1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC1 ZINC000602509734 349584470 /nfs/dbraw/zinc/58/44/70/349584470.db2.gz JKRFTXXVZJIUMH-SECBINFHSA-N 1 0 223.276 -0.215 20 30 BBEDRO N#CC1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC1 ZINC000602509735 349584340 /nfs/dbraw/zinc/58/43/40/349584340.db2.gz JKRFTXXVZJIUMH-VIFPVBQESA-N 1 0 223.276 -0.215 20 30 BBEDRO CN(CC[NH3+])C(=O)Cc1ccc(C#N)nc1 ZINC000602510840 369802060 /nfs/dbraw/zinc/80/20/60/369802060.db2.gz PMWNTTNWBURSMZ-UHFFFAOYSA-N 1 0 218.260 -0.087 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000602513880 349585994 /nfs/dbraw/zinc/58/59/94/349585994.db2.gz GAPHRVMOLPAGGD-WDEREUQCSA-N 1 0 236.319 -0.300 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2[NH3+])C1 ZINC000602514780 349587152 /nfs/dbraw/zinc/58/71/52/349587152.db2.gz LYUOYTMMMZOUKN-JLIMGVALSA-N 1 0 223.276 -0.089 20 30 BBEDRO N#CC1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCC1 ZINC000602529305 349579173 /nfs/dbraw/zinc/57/91/73/349579173.db2.gz RJCDMPPLEJVART-UHFFFAOYSA-N 1 0 235.287 -0.119 20 30 BBEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000602533516 349601628 /nfs/dbraw/zinc/60/16/28/349601628.db2.gz IENLBSBUINROJJ-IQJOONFLSA-N 1 0 223.276 -0.135 20 30 BBEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000602533523 349601691 /nfs/dbraw/zinc/60/16/91/349601691.db2.gz IENLBSBUINROJJ-NGZCFLSTSA-N 1 0 223.276 -0.135 20 30 BBEDRO C[C@]1(C#N)CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000602535920 349602793 /nfs/dbraw/zinc/60/27/93/349602793.db2.gz OXQQCIQPRSXDHM-GFCCVEGCSA-N 1 0 236.319 -0.346 20 30 BBEDRO C[C@@]1(C#N)CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000602535921 349603095 /nfs/dbraw/zinc/60/30/95/349603095.db2.gz OXQQCIQPRSXDHM-LBPRGKRZSA-N 1 0 236.319 -0.346 20 30 BBEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cn1cnc(C#N)n1 ZINC000602542996 369811075 /nfs/dbraw/zinc/81/10/75/369811075.db2.gz CWWLCLBQNRQYIW-DTWKUNHWSA-N 1 0 248.290 -0.594 20 30 BBEDRO N#CC1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC1 ZINC000602549087 349591468 /nfs/dbraw/zinc/59/14/68/349591468.db2.gz BODPZXGRDLDWMM-SECBINFHSA-N 1 0 223.276 -0.215 20 30 BBEDRO N#CC1(C(=O)NC[C@H]2COCC[NH2+]2)CCC1 ZINC000602549090 349590825 /nfs/dbraw/zinc/59/08/25/349590825.db2.gz BODPZXGRDLDWMM-VIFPVBQESA-N 1 0 223.276 -0.215 20 30 BBEDRO C[C@@H]1CC[C@H](NC(=O)Cn2cnc(C#N)n2)C[NH2+]1 ZINC000602552253 369812663 /nfs/dbraw/zinc/81/26/63/369812663.db2.gz HWAPKFXPIONDLZ-BDAKNGLRSA-N 1 0 248.290 -0.594 20 30 BBEDRO C[C@H]1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)C[NH2+]1 ZINC000602552644 343912198 /nfs/dbraw/zinc/91/21/98/343912198.db2.gz HWAPKFXPIONDLZ-DTWKUNHWSA-N 1 0 248.290 -0.594 20 30 BBEDRO C[C@H]1CC[C@H](NC(=O)Cn2cnc(C#N)n2)C[NH2+]1 ZINC000602552645 343911931 /nfs/dbraw/zinc/91/19/31/343911931.db2.gz HWAPKFXPIONDLZ-IUCAKERBSA-N 1 0 248.290 -0.594 20 30 BBEDRO C[C@@H]1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)C[NH2+]1 ZINC000602552647 369812290 /nfs/dbraw/zinc/81/22/90/369812290.db2.gz HWAPKFXPIONDLZ-RKDXNWHRSA-N 1 0 248.290 -0.594 20 30 BBEDRO Cn1nnnc1CC[NH2+]Cc1cccc(C#N)n1 ZINC000602583934 369818381 /nfs/dbraw/zinc/81/83/81/369818381.db2.gz WAFRMDZAYHFVOR-UHFFFAOYSA-N 1 0 243.274 -0.191 20 30 BBEDRO C=C(C)C[C@@H](NC(=O)CC[NH3+])C(=O)OC ZINC000602598651 349645252 /nfs/dbraw/zinc/64/52/52/349645252.db2.gz CEESJGFQORGHJT-MRVPVSSYSA-N 1 0 214.265 -0.041 20 30 BBEDRO C=C(C)C[C@H](NC(=O)CC[NH3+])C(=O)OC ZINC000602598652 349644950 /nfs/dbraw/zinc/64/49/50/349644950.db2.gz CEESJGFQORGHJT-QMMMGPOBSA-N 1 0 214.265 -0.041 20 30 BBEDRO C=C(C)C[C@@H](NC(=O)COCC[NH3+])C(=O)OC ZINC000602598702 349645236 /nfs/dbraw/zinc/64/52/36/349645236.db2.gz DJJLKYSQQSGUIT-SECBINFHSA-N 1 0 244.291 -0.414 20 30 BBEDRO C=C(C)C[C@H](NC(=O)COCC[NH3+])C(=O)OC ZINC000602598703 349645157 /nfs/dbraw/zinc/64/51/57/349645157.db2.gz DJJLKYSQQSGUIT-VIFPVBQESA-N 1 0 244.291 -0.414 20 30 BBEDRO C=C(C)C[C@H](NC(=O)[C@H]1CC[NH2+]1)C(=O)OC ZINC000602599388 349646024 /nfs/dbraw/zinc/64/60/24/349646024.db2.gz IUMILQOBXPIKNY-BDAKNGLRSA-N 1 0 226.276 -0.028 20 30 BBEDRO C=C(C)C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(=O)OC ZINC000602599391 349645759 /nfs/dbraw/zinc/64/57/59/349645759.db2.gz IUMILQOBXPIKNY-RKDXNWHRSA-N 1 0 226.276 -0.028 20 30 BBEDRO C=C(C)C[C@@H](NC(=O)C[NH2+]C)C(=O)OC ZINC000602600581 349646593 /nfs/dbraw/zinc/64/65/93/349646593.db2.gz OTXVRPHFNCBCDO-MRVPVSSYSA-N 1 0 214.265 -0.170 20 30 BBEDRO C=C(C)C[C@H](NC(=O)C[NH2+]C)C(=O)OC ZINC000602600582 349646347 /nfs/dbraw/zinc/64/63/47/349646347.db2.gz OTXVRPHFNCBCDO-QMMMGPOBSA-N 1 0 214.265 -0.170 20 30 BBEDRO C=C(C)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)OC ZINC000602600979 349647362 /nfs/dbraw/zinc/64/73/62/349647362.db2.gz QIBBVIZFCBKAAW-HTQZYQBOSA-N 1 0 214.265 -0.042 20 30 BBEDRO C=C(C)C[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)OC ZINC000602601014 349647575 /nfs/dbraw/zinc/64/75/75/349647575.db2.gz QIBBVIZFCBKAAW-JGVFFNPUSA-N 1 0 214.265 -0.042 20 30 BBEDRO C=C(C)C[C@H](NC(=O)[C@@H](C)[NH3+])C(=O)OC ZINC000602601017 349647683 /nfs/dbraw/zinc/64/76/83/349647683.db2.gz QIBBVIZFCBKAAW-SFYZADRCSA-N 1 0 214.265 -0.042 20 30 BBEDRO C=C(C)C[C@H](NC(=O)[C@H](C)[NH3+])C(=O)OC ZINC000602601018 349647289 /nfs/dbraw/zinc/64/72/89/349647289.db2.gz QIBBVIZFCBKAAW-YUMQZZPRSA-N 1 0 214.265 -0.042 20 30 BBEDRO C=C(C)C[C@@H](NC(=O)C[NH3+])C(=O)OC ZINC000602601684 349647662 /nfs/dbraw/zinc/64/76/62/349647662.db2.gz SFOWICZZORLCPR-SSDOTTSWSA-N 1 0 200.238 -0.431 20 30 BBEDRO C=C(C)C[C@H](NC(=O)C[NH3+])C(=O)OC ZINC000602601687 349647735 /nfs/dbraw/zinc/64/77/35/349647735.db2.gz SFOWICZZORLCPR-ZETCQYMHSA-N 1 0 200.238 -0.431 20 30 BBEDRO CN(C(=O)CNC(=O)C[NH3+])[C@H]1CCC[C@@H]1C#N ZINC000602602524 349625484 /nfs/dbraw/zinc/62/54/84/349625484.db2.gz NETTWZCTHMDSRZ-BDAKNGLRSA-N 1 0 238.291 -0.788 20 30 BBEDRO CN(C(=O)CNC(=O)C[NH3+])[C@@H]1CCC[C@H]1C#N ZINC000602602525 349625553 /nfs/dbraw/zinc/62/55/53/349625553.db2.gz NETTWZCTHMDSRZ-DTWKUNHWSA-N 1 0 238.291 -0.788 20 30 BBEDRO CN(C(=O)CNC(=O)C[NH3+])[C@H]1CCC[C@H]1C#N ZINC000602602527 349625347 /nfs/dbraw/zinc/62/53/47/349625347.db2.gz NETTWZCTHMDSRZ-IUCAKERBSA-N 1 0 238.291 -0.788 20 30 BBEDRO CN(C(=O)CNC(=O)C[NH3+])[C@@H]1CCC[C@@H]1C#N ZINC000602602529 349625416 /nfs/dbraw/zinc/62/54/16/349625416.db2.gz NETTWZCTHMDSRZ-RKDXNWHRSA-N 1 0 238.291 -0.788 20 30 BBEDRO N#CCCN1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000602604453 398077167 /nfs/dbraw/zinc/07/71/67/398077167.db2.gz PVKCOSQVWGKAAI-UTUOFQBUSA-N 1 0 248.330 -0.205 20 30 BBEDRO N#CCCN1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000602605090 349627457 /nfs/dbraw/zinc/62/74/57/349627457.db2.gz SYPYAKXRKJBITK-PHIMTYICSA-N 1 0 236.319 -0.218 20 30 BBEDRO N#CCCN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000602605092 349627321 /nfs/dbraw/zinc/62/73/21/349627321.db2.gz SYPYAKXRKJBITK-XYPYZODXSA-N 1 0 236.319 -0.218 20 30 BBEDRO N#CCCN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000602605649 349628215 /nfs/dbraw/zinc/62/82/15/349628215.db2.gz YUXORUQLUAMGSO-GDNZZTSVSA-N 1 0 248.330 -0.490 20 30 BBEDRO COC(=O)CNC(=O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000602751490 349730553 /nfs/dbraw/zinc/73/05/53/349730553.db2.gz UNHOJZJJPOKVOG-BDAKNGLRSA-N 1 0 239.275 -0.443 20 30 BBEDRO COC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000602751491 349730190 /nfs/dbraw/zinc/73/01/90/349730190.db2.gz UNHOJZJJPOKVOG-DTWKUNHWSA-N 1 0 239.275 -0.443 20 30 BBEDRO COC(=O)CNC(=O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000602751492 349730507 /nfs/dbraw/zinc/73/05/07/349730507.db2.gz UNHOJZJJPOKVOG-IUCAKERBSA-N 1 0 239.275 -0.443 20 30 BBEDRO COC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000602751493 349730465 /nfs/dbraw/zinc/73/04/65/349730465.db2.gz UNHOJZJJPOKVOG-RKDXNWHRSA-N 1 0 239.275 -0.443 20 30 BBEDRO COC(=O)CNC(=O)C[NH2+]C[C@H](C)CCC#N ZINC000602752136 349731068 /nfs/dbraw/zinc/73/10/68/349731068.db2.gz XWYQYQKGSVQHJO-SECBINFHSA-N 1 0 241.291 -0.195 20 30 BBEDRO COC(=O)CNC(=O)C[NH2+]C[C@@H](C)CCC#N ZINC000602752137 349731196 /nfs/dbraw/zinc/73/11/96/349731196.db2.gz XWYQYQKGSVQHJO-VIFPVBQESA-N 1 0 241.291 -0.195 20 30 BBEDRO N#CCC1(C[N@@H+](CCO)CCOCCO)CC1 ZINC000602839883 349778577 /nfs/dbraw/zinc/77/85/77/349778577.db2.gz KMTQXUQWUSDLAW-UHFFFAOYSA-N 1 0 242.319 -0.017 20 30 BBEDRO C[C@H]1C[NH+](CCOCCO)C[C@H](C)N1CC#N ZINC000602849694 349784452 /nfs/dbraw/zinc/78/44/52/349784452.db2.gz MHXFMACBZCAYOF-RYUDHWBXSA-N 1 0 241.335 -0.087 20 30 BBEDRO C[C@@H]1C[N@@H+](CCOCCO)C[C@H](C)N1CC#N ZINC000602849695 349784575 /nfs/dbraw/zinc/78/45/75/349784575.db2.gz MHXFMACBZCAYOF-TXEJJXNPSA-N 1 0 241.335 -0.087 20 30 BBEDRO C[C@@H]1C[NH+](CCOCCO)C[C@@H](C)N1CC#N ZINC000602849696 349784657 /nfs/dbraw/zinc/78/46/57/349784657.db2.gz MHXFMACBZCAYOF-VXGBXAGGSA-N 1 0 241.335 -0.087 20 30 BBEDRO COC[C@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853978 385826537 /nfs/dbraw/zinc/82/65/37/385826537.db2.gz MYPDPRAJTBWGHD-GRYCIOLGSA-N 1 0 241.335 -0.088 20 30 BBEDRO COC[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602853979 385826962 /nfs/dbraw/zinc/82/69/62/385826962.db2.gz MYPDPRAJTBWGHD-IJLUTSLNSA-N 1 0 241.335 -0.088 20 30 BBEDRO COC[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853980 385827121 /nfs/dbraw/zinc/82/71/21/385827121.db2.gz MYPDPRAJTBWGHD-SDDRHHMPSA-N 1 0 241.335 -0.088 20 30 BBEDRO COC[C@@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853981 385826760 /nfs/dbraw/zinc/82/67/60/385826760.db2.gz MYPDPRAJTBWGHD-SRVKXCTJSA-N 1 0 241.335 -0.088 20 30 BBEDRO COC[C@@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853982 385826649 /nfs/dbraw/zinc/82/66/49/385826649.db2.gz MYPDPRAJTBWGHD-TUAOUCFPSA-N 1 0 241.335 -0.088 20 30 BBEDRO COC[C@@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602853983 385827800 /nfs/dbraw/zinc/82/78/00/385827800.db2.gz MYPDPRAJTBWGHD-UTUOFQBUSA-N 1 0 241.335 -0.088 20 30 BBEDRO COC(=O)CNC(=O)CC[NH2+][C@H](C)CC#N ZINC000602860693 349772397 /nfs/dbraw/zinc/77/23/97/349772397.db2.gz FHYSHRNFQKHNDZ-MRVPVSSYSA-N 1 0 227.264 -0.443 20 30 BBEDRO COC(=O)CNC(=O)CC[NH2+][C@@H](C)CC#N ZINC000602860694 349772563 /nfs/dbraw/zinc/77/25/63/349772563.db2.gz FHYSHRNFQKHNDZ-QMMMGPOBSA-N 1 0 227.264 -0.443 20 30 BBEDRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)CC#N ZINC000602865162 349797192 /nfs/dbraw/zinc/79/71/92/349797192.db2.gz WTPIUCFRAXOQJN-SECBINFHSA-N 1 0 241.291 -0.100 20 30 BBEDRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)CC#N ZINC000602865166 349797043 /nfs/dbraw/zinc/79/70/43/349797043.db2.gz WTPIUCFRAXOQJN-VIFPVBQESA-N 1 0 241.291 -0.100 20 30 BBEDRO CNC(=O)NC(=O)CC[NH2+][C@H](C)CC#N ZINC000602865824 349797784 /nfs/dbraw/zinc/79/77/84/349797784.db2.gz ZMBIFTZJZBTLSR-SSDOTTSWSA-N 1 0 212.253 -0.276 20 30 BBEDRO CNC(=O)NC(=O)CC[NH2+][C@@H](C)CC#N ZINC000602865825 349798164 /nfs/dbraw/zinc/79/81/64/349798164.db2.gz ZMBIFTZJZBTLSR-ZETCQYMHSA-N 1 0 212.253 -0.276 20 30 BBEDRO COCC[N@H+](C)C[C@H](O)CN[C@H](C)CC#N ZINC000602868837 349800069 /nfs/dbraw/zinc/80/00/69/349800069.db2.gz DSHKKDQGTXSWTO-GHMZBOCLSA-N 1 0 229.324 -0.183 20 30 BBEDRO COCC[N@H+](C)C[C@@H](O)CN[C@H](C)CC#N ZINC000602868851 349799694 /nfs/dbraw/zinc/79/96/94/349799694.db2.gz DSHKKDQGTXSWTO-MNOVXSKESA-N 1 0 229.324 -0.183 20 30 BBEDRO COCC[N@H+](C)C[C@@H](O)CN[C@@H](C)CC#N ZINC000602868852 349799544 /nfs/dbraw/zinc/79/95/44/349799544.db2.gz DSHKKDQGTXSWTO-QWRGUYRKSA-N 1 0 229.324 -0.183 20 30 BBEDRO COCC[N@H+](C)C[C@H](O)CN[C@@H](C)CC#N ZINC000602868855 349799877 /nfs/dbraw/zinc/79/98/77/349799877.db2.gz DSHKKDQGTXSWTO-WDEREUQCSA-N 1 0 229.324 -0.183 20 30 BBEDRO N#CCC1(C[NH2+][C@]2(C(N)=O)CCOC2)CC1 ZINC000602872261 349804175 /nfs/dbraw/zinc/80/41/75/349804175.db2.gz BJUVPJSZEXFFJE-LLVKDONJSA-N 1 0 223.276 -0.086 20 30 BBEDRO N#CCC1(C[NH2+][C@@]2(C(N)=O)CCOC2)CC1 ZINC000602872262 349804797 /nfs/dbraw/zinc/80/47/97/349804797.db2.gz BJUVPJSZEXFFJE-NSHDSACASA-N 1 0 223.276 -0.086 20 30 BBEDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCOCCC#N ZINC000602901460 541385474 /nfs/dbraw/zinc/38/54/74/541385474.db2.gz XSWWAXBYIQUNRU-GHMZBOCLSA-N 1 0 228.292 -0.266 20 30 BBEDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCOCCC#N ZINC000602901461 541385494 /nfs/dbraw/zinc/38/54/94/541385494.db2.gz XSWWAXBYIQUNRU-MNOVXSKESA-N 1 0 228.292 -0.266 20 30 BBEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCOCCC#N ZINC000602901462 349816211 /nfs/dbraw/zinc/81/62/11/349816211.db2.gz XSWWAXBYIQUNRU-QWRGUYRKSA-N 1 0 228.292 -0.266 20 30 BBEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CCOCCC#N ZINC000602901463 349816566 /nfs/dbraw/zinc/81/65/66/349816566.db2.gz XSWWAXBYIQUNRU-WDEREUQCSA-N 1 0 228.292 -0.266 20 30 BBEDRO COC[C@](C)(CO)[NH2+]CCOCCC#N ZINC000602931126 349822284 /nfs/dbraw/zinc/82/22/84/349822284.db2.gz HMPUNKODFKTXJL-JTQLQIEISA-N 1 0 216.281 -0.096 20 30 BBEDRO COC[C@@](C)(CO)[NH2+]CCOCCC#N ZINC000602931127 349822400 /nfs/dbraw/zinc/82/24/00/349822400.db2.gz HMPUNKODFKTXJL-SNVBAGLBSA-N 1 0 216.281 -0.096 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@H](CO)C1 ZINC000602932523 349823419 /nfs/dbraw/zinc/82/34/19/349823419.db2.gz ZQNNMRRECXBIQL-ZJUUUORDSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@]12C[NH+](CCC#N)C[C@]1(C)C(=O)NC2=O ZINC000602932922 349823504 /nfs/dbraw/zinc/82/35/04/349823504.db2.gz ACZZGNYHVKJQBZ-GHMZBOCLSA-N 1 0 221.260 -0.115 20 30 BBEDRO C[C@]12C[N@H+](CCC#N)C[C@@]1(C)C(=O)NC2=O ZINC000602932923 349823669 /nfs/dbraw/zinc/82/36/69/349823669.db2.gz ACZZGNYHVKJQBZ-PHIMTYICSA-N 1 0 221.260 -0.115 20 30 BBEDRO C[C@@]12C[NH+](CCC#N)C[C@@]1(C)C(=O)NC2=O ZINC000602932924 349823613 /nfs/dbraw/zinc/82/36/13/349823613.db2.gz ACZZGNYHVKJQBZ-QWRGUYRKSA-N 1 0 221.260 -0.115 20 30 BBEDRO CC[C@@]1(O)CCC[N@H+](CC(=O)NCC#N)C1 ZINC000602982773 349834863 /nfs/dbraw/zinc/83/48/63/349834863.db2.gz XYCLVCOGRUJXQY-LLVKDONJSA-N 1 0 225.292 -0.137 20 30 BBEDRO CC[C@]1(O)CCC[N@H+](CC(=O)NCC#N)C1 ZINC000602982774 349835083 /nfs/dbraw/zinc/83/50/83/349835083.db2.gz XYCLVCOGRUJXQY-NSHDSACASA-N 1 0 225.292 -0.137 20 30 BBEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603090762 349866809 /nfs/dbraw/zinc/86/68/09/349866809.db2.gz RVDUSPXZMYOGOW-CKYFFXLPSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603090766 349866644 /nfs/dbraw/zinc/86/66/44/349866644.db2.gz RVDUSPXZMYOGOW-SCVCMEIPSA-N 1 0 237.303 -0.186 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603092713 349867629 /nfs/dbraw/zinc/86/76/29/349867629.db2.gz YXBVWXCGQWRACU-JQWIXIFHSA-N 1 0 237.303 -0.185 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603092715 349867259 /nfs/dbraw/zinc/86/72/59/349867259.db2.gz YXBVWXCGQWRACU-ZYHUDNBSSA-N 1 0 237.303 -0.185 20 30 BBEDRO N#CC1(Cn2cc(CN3CC[NH2+]CC3)nn2)CC1 ZINC000603227187 349890064 /nfs/dbraw/zinc/89/00/64/349890064.db2.gz NRCDNXONXMIYQU-UHFFFAOYSA-N 1 0 246.318 -0.013 20 30 BBEDRO C=C[C@H](C(=O)OC)n1cc(COCC[NH3+])nn1 ZINC000603233072 349892091 /nfs/dbraw/zinc/89/20/91/349892091.db2.gz HHRUDQLRITXVQM-SECBINFHSA-N 1 0 240.263 -0.347 20 30 BBEDRO C=C[C@@H](C(=O)OC)n1cc(COCC[NH3+])nn1 ZINC000603233074 349892022 /nfs/dbraw/zinc/89/20/22/349892022.db2.gz HHRUDQLRITXVQM-VIFPVBQESA-N 1 0 240.263 -0.347 20 30 BBEDRO C=C[C@H](C(=O)OC)n1cc(C[NH2+]C)nn1 ZINC000603234433 349892551 /nfs/dbraw/zinc/89/25/51/349892551.db2.gz LJILHDRTYDXANE-MRVPVSSYSA-N 1 0 210.237 -0.102 20 30 BBEDRO C=C[C@@H](C(=O)OC)n1cc(C[NH2+]C)nn1 ZINC000603234449 349892706 /nfs/dbraw/zinc/89/27/06/349892706.db2.gz LJILHDRTYDXANE-QMMMGPOBSA-N 1 0 210.237 -0.102 20 30 BBEDRO C=C[C@H](C(=O)OC)n1cc(CC[NH3+])nn1 ZINC000603238777 349904030 /nfs/dbraw/zinc/90/40/30/349904030.db2.gz XVJXUMHUBNHSOK-MRVPVSSYSA-N 1 0 210.237 -0.321 20 30 BBEDRO C=C[C@@H](C(=O)OC)n1cc(CC[NH3+])nn1 ZINC000603238779 349904262 /nfs/dbraw/zinc/90/42/62/349904262.db2.gz XVJXUMHUBNHSOK-QMMMGPOBSA-N 1 0 210.237 -0.321 20 30 BBEDRO N#Cc1ccc(NC[C@]2(CO)COCCN2)nc1 ZINC000603418578 412273222 /nfs/dbraw/zinc/27/32/22/412273222.db2.gz GQXGCCDGDWNVPG-LBPRGKRZSA-N 1 0 248.286 -0.284 20 30 BBEDRO N#Cc1nccc(NC[C@H]2CSCC[NH2+]2)n1 ZINC000603418592 369959087 /nfs/dbraw/zinc/95/90/87/369959087.db2.gz HBOSIEZKMWWMNJ-QMMMGPOBSA-N 1 0 235.316 -0.113 20 30 BBEDRO N#Cc1cncnc1NC[C@@H]1CSCC[NH2+]1 ZINC000603420354 369964109 /nfs/dbraw/zinc/96/41/09/369964109.db2.gz SQLPQXKOZJLKDV-SECBINFHSA-N 1 0 235.316 -0.113 20 30 BBEDRO N#Cc1cncnc1NC[C@H]1CSCC[NH2+]1 ZINC000603420355 369962111 /nfs/dbraw/zinc/96/21/11/369962111.db2.gz SQLPQXKOZJLKDV-VIFPVBQESA-N 1 0 235.316 -0.113 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NCCC(C)(C)[NH3+] ZINC000603431821 349953467 /nfs/dbraw/zinc/95/34/67/349953467.db2.gz HICZHIQIOZNRHW-UHFFFAOYSA-N 1 0 248.352 -0.206 20 30 BBEDRO CNC(NC[C@@H]1COCCN1C)=[NH+]C ZINC000606274535 712350549 /nfs/dbraw/zinc/35/05/49/712350549.db2.gz CSPFXBMTLDLTRR-MRVPVSSYSA-N 1 0 200.286 -0.888 20 30 BBEDRO CNC(NC[C@H]1COCCN1C)=[NH+]C ZINC000606274536 712350852 /nfs/dbraw/zinc/35/08/52/712350852.db2.gz CSPFXBMTLDLTRR-QMMMGPOBSA-N 1 0 200.286 -0.888 20 30 BBEDRO CC#CCN1CCN(CC(=O)N(C)C)CC1 ZINC000607725526 342782256 /nfs/dbraw/zinc/78/22/56/342782256.db2.gz CRPODIBCFXMRCN-UHFFFAOYSA-N 1 0 223.320 -0.285 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N(CC#N)CC#N)C1 ZINC000609574030 355913168 /nfs/dbraw/zinc/91/31/68/355913168.db2.gz HDKGXLVFAIXDRN-SECBINFHSA-N 1 0 206.249 -0.186 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N(CC#N)CC#N)C1 ZINC000609574031 355913083 /nfs/dbraw/zinc/91/30/83/355913083.db2.gz HDKGXLVFAIXDRN-VIFPVBQESA-N 1 0 206.249 -0.186 20 30 BBEDRO COC(=O)CN(CC#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000609991755 356677852 /nfs/dbraw/zinc/67/78/52/356677852.db2.gz YXNIHUCAUYMMBL-SECBINFHSA-N 1 0 239.275 -0.537 20 30 BBEDRO COC(=O)CN(CC#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000609991756 356677392 /nfs/dbraw/zinc/67/73/92/356677392.db2.gz YXNIHUCAUYMMBL-VIFPVBQESA-N 1 0 239.275 -0.537 20 30 BBEDRO C[C@@H](C(=O)N1CCO[C@H](C#N)C1)[NH+](C)C ZINC000610560476 357988191 /nfs/dbraw/zinc/98/81/91/357988191.db2.gz IRMIYJBVFGYLDE-DTWKUNHWSA-N 1 0 211.265 -0.313 20 30 BBEDRO C[C@@H](C(=O)N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC000610560478 357987730 /nfs/dbraw/zinc/98/77/30/357987730.db2.gz IRMIYJBVFGYLDE-IUCAKERBSA-N 1 0 211.265 -0.313 20 30 BBEDRO C[C@@H](C(=O)N1CCN(CC#N)CC1)[NH+](C)C ZINC000610562158 357988002 /nfs/dbraw/zinc/98/80/02/357988002.db2.gz JNRDAYZJDWGZOS-JTQLQIEISA-N 1 0 224.308 -0.396 20 30 BBEDRO COC(=O)CN(CC#N)C(=O)[C@H](C)[NH+](C)C ZINC000610562294 357988152 /nfs/dbraw/zinc/98/81/52/357988152.db2.gz NTCRWWHNZUQZQR-QMMMGPOBSA-N 1 0 227.264 -0.538 20 30 BBEDRO C[N@@H+](CC(=O)NCC#N)C[C@@H](O)C1CC1 ZINC000610571830 357999566 /nfs/dbraw/zinc/99/95/66/357999566.db2.gz ZOSWASCWBHLQJU-SECBINFHSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[N@@H+](CC(=O)NCC#N)C[C@H](O)C1CC1 ZINC000610571831 357999265 /nfs/dbraw/zinc/99/92/65/357999265.db2.gz ZOSWASCWBHLQJU-VIFPVBQESA-N 1 0 211.265 -0.671 20 30 BBEDRO COC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000610605174 358011033 /nfs/dbraw/zinc/01/10/33/358011033.db2.gz OIWGUGMUGCVBHL-SECBINFHSA-N 1 0 211.265 -0.263 20 30 BBEDRO COC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000610605175 358011477 /nfs/dbraw/zinc/01/14/77/358011477.db2.gz OIWGUGMUGCVBHL-VIFPVBQESA-N 1 0 211.265 -0.263 20 30 BBEDRO C[C@@H](C(=O)N1CCOC[C@H]1C#N)[NH+](C)C ZINC000610684813 358068716 /nfs/dbraw/zinc/06/87/16/358068716.db2.gz BKWOTOLHYMBKAU-DTWKUNHWSA-N 1 0 211.265 -0.313 20 30 BBEDRO C[C@@H](C(=O)N1CCOC[C@@H]1C#N)[NH+](C)C ZINC000610684814 358068791 /nfs/dbraw/zinc/06/87/91/358068791.db2.gz BKWOTOLHYMBKAU-IUCAKERBSA-N 1 0 211.265 -0.313 20 30 BBEDRO C[N@H+](CCNC(=O)Cn1cnc(C#N)n1)C1CC1 ZINC000610881989 358227301 /nfs/dbraw/zinc/22/73/01/358227301.db2.gz JMWJKRFPEUNHDG-UHFFFAOYSA-N 1 0 248.290 -0.640 20 30 BBEDRO COC[C@@](C)(C#N)NC(=O)[C@H](C)[NH+](C)C ZINC000610924938 358236728 /nfs/dbraw/zinc/23/67/28/358236728.db2.gz SSSOZLXXDPWAHB-WCBMZHEXSA-N 1 0 213.281 -0.019 20 30 BBEDRO COC[C@](C)(C#N)NC(=O)[C@H](C)[NH+](C)C ZINC000610924939 358236200 /nfs/dbraw/zinc/23/62/00/358236200.db2.gz SSSOZLXXDPWAHB-WPRPVWTQSA-N 1 0 213.281 -0.019 20 30 BBEDRO N#Cc1ccc(N2CC[NH+](CCCO)CC2)nn1 ZINC000611153101 358896635 /nfs/dbraw/zinc/89/66/35/358896635.db2.gz XJWADZIGPJTXSZ-UHFFFAOYSA-N 1 0 247.302 -0.147 20 30 BBEDRO C=C(C)[C@@H](CO)N1CCO[C@@H](C(=O)OC)C1 ZINC000611158373 358903162 /nfs/dbraw/zinc/90/31/62/358903162.db2.gz PFGRSSMGSWRHOV-NXEZZACHSA-N 1 0 229.276 -0.203 20 30 BBEDRO C=C(C)[C@H](CO)N1CCO[C@H](C(=O)OC)C1 ZINC000611158374 358902811 /nfs/dbraw/zinc/90/28/11/358902811.db2.gz PFGRSSMGSWRHOV-UWVGGRQHSA-N 1 0 229.276 -0.203 20 30 BBEDRO C=C(C)[C@H](CO)N1CCO[C@@H](C(=O)OC)C1 ZINC000611158375 358902939 /nfs/dbraw/zinc/90/29/39/358902939.db2.gz PFGRSSMGSWRHOV-VHSXEESVSA-N 1 0 229.276 -0.203 20 30 BBEDRO C=C(C)[C@@H](CO)N1CCO[C@H](C(=O)OC)C1 ZINC000611158376 358902523 /nfs/dbraw/zinc/90/25/23/358902523.db2.gz PFGRSSMGSWRHOV-ZJUUUORDSA-N 1 0 229.276 -0.203 20 30 BBEDRO CN1C(=O)N[C@@]2(CCN(CC3(C#N)CC3)C2)C1=O ZINC000611430620 359368981 /nfs/dbraw/zinc/36/89/81/359368981.db2.gz PGATUIJRMJZJSX-GFCCVEGCSA-N 1 0 248.286 -0.084 20 30 BBEDRO CN1C(=O)N[C@]2(CCN(CC3(C#N)CC3)C2)C1=O ZINC000611430621 359368460 /nfs/dbraw/zinc/36/84/60/359368460.db2.gz PGATUIJRMJZJSX-LBPRGKRZSA-N 1 0 248.286 -0.084 20 30 BBEDRO Cn1cc(C#N)c(NC(=O)NCC[NH+](C)C)n1 ZINC000611532860 412162056 /nfs/dbraw/zinc/16/20/56/412162056.db2.gz CZATWXKDBHKRKP-UHFFFAOYSA-N 1 0 236.279 -0.025 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000611696221 359417510 /nfs/dbraw/zinc/41/75/10/359417510.db2.gz MTSOMCFTTKZXAN-SECBINFHSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@H](O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000611696222 359417947 /nfs/dbraw/zinc/41/79/47/359417947.db2.gz MTSOMCFTTKZXAN-VIFPVBQESA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000611696598 359417738 /nfs/dbraw/zinc/41/77/38/359417738.db2.gz SYQDQWCYXMHXIF-LLVKDONJSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000611696599 359417652 /nfs/dbraw/zinc/41/76/52/359417652.db2.gz SYQDQWCYXMHXIF-NSHDSACASA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@](C)(O)C(=O)N(C)CC[NH+](C)C ZINC000611823805 359457313 /nfs/dbraw/zinc/45/73/13/359457313.db2.gz VJTQIVWNTQTBAT-JTQLQIEISA-N 1 0 200.282 -0.057 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N(C)CC[NH+](C)C ZINC000611823810 359457726 /nfs/dbraw/zinc/45/77/26/359457726.db2.gz VJTQIVWNTQTBAT-SNVBAGLBSA-N 1 0 200.282 -0.057 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000612058293 359628706 /nfs/dbraw/zinc/62/87/06/359628706.db2.gz XOTWAOQTVQSCCW-LLVKDONJSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000612058294 359628716 /nfs/dbraw/zinc/62/87/16/359628716.db2.gz XOTWAOQTVQSCCW-NSHDSACASA-N 1 0 242.319 -0.240 20 30 BBEDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCCC#N ZINC000612380155 359823357 /nfs/dbraw/zinc/82/33/57/359823357.db2.gz IBXMXUXUJZKICJ-LLVKDONJSA-N 1 0 242.323 -0.098 20 30 BBEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCC#N ZINC000612380159 359823461 /nfs/dbraw/zinc/82/34/61/359823461.db2.gz IBXMXUXUJZKICJ-NSHDSACASA-N 1 0 242.323 -0.098 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000612659284 359981426 /nfs/dbraw/zinc/98/14/26/359981426.db2.gz NUSUSZNHZSSGRL-GHMZBOCLSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000612659285 359982023 /nfs/dbraw/zinc/98/20/23/359982023.db2.gz NUSUSZNHZSSGRL-MNOVXSKESA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000612659286 359981793 /nfs/dbraw/zinc/98/17/93/359981793.db2.gz NUSUSZNHZSSGRL-QWRGUYRKSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000612659287 359981742 /nfs/dbraw/zinc/98/17/42/359981742.db2.gz NUSUSZNHZSSGRL-WDEREUQCSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CCN([C@H](CC)CO)CC1 ZINC000612680202 359988753 /nfs/dbraw/zinc/98/87/53/359988753.db2.gz WQDARBRWOPHVKH-GHMZBOCLSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@H](O)C(=O)N1CCN([C@H](CC)CO)CC1 ZINC000612680203 359988550 /nfs/dbraw/zinc/98/85/50/359988550.db2.gz WQDARBRWOPHVKH-MNOVXSKESA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@H](O)C(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000612680204 359988325 /nfs/dbraw/zinc/98/83/25/359988325.db2.gz WQDARBRWOPHVKH-QWRGUYRKSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000612680205 359988672 /nfs/dbraw/zinc/98/86/72/359988672.db2.gz WQDARBRWOPHVKH-WDEREUQCSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000612871491 360144864 /nfs/dbraw/zinc/14/48/64/360144864.db2.gz OOIKURMLCYCWCC-GHMZBOCLSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000612871677 360145008 /nfs/dbraw/zinc/14/50/08/360145008.db2.gz OOIKURMLCYCWCC-MNOVXSKESA-N 1 0 230.308 -0.648 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000612871678 360144822 /nfs/dbraw/zinc/14/48/22/360144822.db2.gz OOIKURMLCYCWCC-QWRGUYRKSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000612871681 360144680 /nfs/dbraw/zinc/14/46/80/360144680.db2.gz OOIKURMLCYCWCC-WDEREUQCSA-N 1 0 230.308 -0.648 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2ccc(C#N)nn2)C1 ZINC000613049672 412255777 /nfs/dbraw/zinc/25/57/77/412255777.db2.gz GPLRFMDDGQQQBW-LLVKDONJSA-N 1 0 233.275 -0.173 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2ccc(C#N)nn2)C1 ZINC000613049682 412257993 /nfs/dbraw/zinc/25/79/93/412257993.db2.gz GPLRFMDDGQQQBW-NSHDSACASA-N 1 0 233.275 -0.173 20 30 BBEDRO C=C[C@@H](O)C(=O)N(C)CCC[NH+](C)C ZINC000613259834 361868427 /nfs/dbraw/zinc/86/84/27/361868427.db2.gz NEMJSPKOUVOIET-SECBINFHSA-N 1 0 200.282 -0.057 20 30 BBEDRO C=C[C@H](O)C(=O)N(C)CCC[NH+](C)C ZINC000613259836 361868655 /nfs/dbraw/zinc/86/86/55/361868655.db2.gz NEMJSPKOUVOIET-VIFPVBQESA-N 1 0 200.282 -0.057 20 30 BBEDRO C=C[C@H](O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000613265348 352424601 /nfs/dbraw/zinc/42/46/01/352424601.db2.gz KSADXVCRCYMFHQ-JTQLQIEISA-N 1 0 210.277 -0.089 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000613265351 352424481 /nfs/dbraw/zinc/42/44/81/352424481.db2.gz KSADXVCRCYMFHQ-SNVBAGLBSA-N 1 0 210.277 -0.089 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCOCC[NH+](C)C ZINC000613285513 363055955 /nfs/dbraw/zinc/05/59/55/363055955.db2.gz VSURKRUTIIZZCG-SECBINFHSA-N 1 0 216.281 -0.772 20 30 BBEDRO C=C[C@H](O)C(=O)NCCOCC[NH+](C)C ZINC000613285518 363055907 /nfs/dbraw/zinc/05/59/07/363055907.db2.gz VSURKRUTIIZZCG-VIFPVBQESA-N 1 0 216.281 -0.772 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCCOCC[NH+](C)C ZINC000613286243 363057128 /nfs/dbraw/zinc/05/71/28/363057128.db2.gz WDDJYVDPGJXREP-LLVKDONJSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCCOCC[NH+](C)C ZINC000613286246 363057449 /nfs/dbraw/zinc/05/74/49/363057449.db2.gz WDDJYVDPGJXREP-NSHDSACASA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C[C@H](O)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000613300143 363080619 /nfs/dbraw/zinc/08/06/19/363080619.db2.gz HAHUVLMZNVTMMI-JTQLQIEISA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@@H](O)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000613300145 363080517 /nfs/dbraw/zinc/08/05/17/363080517.db2.gz HAHUVLMZNVTMMI-SNVBAGLBSA-N 1 0 242.319 -0.504 20 30 BBEDRO COCC#CC[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000613392723 398095474 /nfs/dbraw/zinc/09/54/74/398095474.db2.gz OAGAVWWKFRLODK-GFCCVEGCSA-N 1 0 241.287 -0.052 20 30 BBEDRO COCC#CC[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000613392724 398095574 /nfs/dbraw/zinc/09/55/74/398095574.db2.gz OAGAVWWKFRLODK-LBPRGKRZSA-N 1 0 241.287 -0.052 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000613521027 363473294 /nfs/dbraw/zinc/47/32/94/363473294.db2.gz ABFYCXHCFWFEAS-GHMZBOCLSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000613521029 363473613 /nfs/dbraw/zinc/47/36/13/363473613.db2.gz ABFYCXHCFWFEAS-MNOVXSKESA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000613521031 363472795 /nfs/dbraw/zinc/47/27/95/363472795.db2.gz ABFYCXHCFWFEAS-QWRGUYRKSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000613521033 363473276 /nfs/dbraw/zinc/47/32/76/363473276.db2.gz ABFYCXHCFWFEAS-WDEREUQCSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCC[N@H+](CC)CCO ZINC000613586606 363527143 /nfs/dbraw/zinc/52/71/43/363527143.db2.gz SCFXLBHZCWKETL-LLVKDONJSA-N 1 0 230.308 -0.646 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCC[N@H+](CC)CCO ZINC000613586608 363526430 /nfs/dbraw/zinc/52/64/30/363526430.db2.gz SCFXLBHZCWKETL-NSHDSACASA-N 1 0 230.308 -0.646 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCCN1CCCOCC1 ZINC000613797437 363641653 /nfs/dbraw/zinc/64/16/53/363641653.db2.gz MBVPVBOSRHBKLA-GFCCVEGCSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCCN1CCCOCC1 ZINC000613797438 363642018 /nfs/dbraw/zinc/64/20/18/363642018.db2.gz MBVPVBOSRHBKLA-LBPRGKRZSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000613860593 363670031 /nfs/dbraw/zinc/67/00/31/363670031.db2.gz FXHTURWJWPEUSN-JTQLQIEISA-N 1 0 210.277 -0.160 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000613860597 363670134 /nfs/dbraw/zinc/67/01/34/363670134.db2.gz FXHTURWJWPEUSN-SNVBAGLBSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=C[C@H](O)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614063415 363721003 /nfs/dbraw/zinc/72/10/03/363721003.db2.gz BFBAFTMDKZQJEN-CMPLNLGQSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@H](O)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614063416 363722343 /nfs/dbraw/zinc/72/23/43/363722343.db2.gz BFBAFTMDKZQJEN-JQWIXIFHSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614063417 363722333 /nfs/dbraw/zinc/72/23/33/363722333.db2.gz BFBAFTMDKZQJEN-PWSUYJOCSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614063418 363721863 /nfs/dbraw/zinc/72/18/63/363721863.db2.gz BFBAFTMDKZQJEN-ZYHUDNBSSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@H](O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000614125062 363724023 /nfs/dbraw/zinc/72/40/23/363724023.db2.gz SADUZCXWFIHFOI-AEJSXWLSSA-N 1 0 210.277 -0.447 20 30 BBEDRO C=C[C@@H](O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000614125067 363723759 /nfs/dbraw/zinc/72/37/59/363723759.db2.gz SADUZCXWFIHFOI-KXUCPTDWSA-N 1 0 210.277 -0.447 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000614125610 363725432 /nfs/dbraw/zinc/72/54/32/363725432.db2.gz WRFQUMYXJFCLFY-JFGNBEQYSA-N 1 0 224.304 -0.057 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000614125616 363725361 /nfs/dbraw/zinc/72/53/61/363725361.db2.gz WRFQUMYXJFCLFY-UMNHJUIQSA-N 1 0 224.304 -0.057 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000614261033 363774059 /nfs/dbraw/zinc/77/40/59/363774059.db2.gz SGYZHOVVDBHUBR-JTQLQIEISA-N 1 0 210.277 -0.089 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000614261034 363772997 /nfs/dbraw/zinc/77/29/97/363772997.db2.gz SGYZHOVVDBHUBR-SNVBAGLBSA-N 1 0 210.277 -0.089 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000614348053 363784302 /nfs/dbraw/zinc/78/43/02/363784302.db2.gz KRBXLXNOVFVGGM-GHMZBOCLSA-N 1 0 244.335 -0.258 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000614348054 363783909 /nfs/dbraw/zinc/78/39/09/363783909.db2.gz KRBXLXNOVFVGGM-MNOVXSKESA-N 1 0 244.335 -0.258 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000614348055 363784074 /nfs/dbraw/zinc/78/40/74/363784074.db2.gz KRBXLXNOVFVGGM-QWRGUYRKSA-N 1 0 244.335 -0.258 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000614348056 363784134 /nfs/dbraw/zinc/78/41/34/363784134.db2.gz KRBXLXNOVFVGGM-WDEREUQCSA-N 1 0 244.335 -0.258 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614504904 363831719 /nfs/dbraw/zinc/83/17/19/363831719.db2.gz XYGSIEIFSCJSDB-GHMZBOCLSA-N 1 0 239.319 -0.961 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614504905 363831419 /nfs/dbraw/zinc/83/14/19/363831419.db2.gz XYGSIEIFSCJSDB-MNOVXSKESA-N 1 0 239.319 -0.961 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614504906 363831796 /nfs/dbraw/zinc/83/17/96/363831796.db2.gz XYGSIEIFSCJSDB-QWRGUYRKSA-N 1 0 239.319 -0.961 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614504907 363832050 /nfs/dbraw/zinc/83/20/50/363832050.db2.gz XYGSIEIFSCJSDB-WDEREUQCSA-N 1 0 239.319 -0.961 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000614662196 363917133 /nfs/dbraw/zinc/91/71/33/363917133.db2.gz XHTMBSLHRDVABI-GHMZBOCLSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000614662209 363917525 /nfs/dbraw/zinc/91/75/25/363917525.db2.gz XHTMBSLHRDVABI-MNOVXSKESA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000614662210 363918340 /nfs/dbraw/zinc/91/83/40/363918340.db2.gz XHTMBSLHRDVABI-QWRGUYRKSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000614662211 363918597 /nfs/dbraw/zinc/91/85/97/363918597.db2.gz XHTMBSLHRDVABI-WDEREUQCSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000614838620 363989863 /nfs/dbraw/zinc/98/98/63/363989863.db2.gz KZPLINQZSZQZIR-WCBMZHEXSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@](C)(O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000614838621 363989896 /nfs/dbraw/zinc/98/98/96/363989896.db2.gz KZPLINQZSZQZIR-WPRPVWTQSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614842414 363990512 /nfs/dbraw/zinc/99/05/12/363990512.db2.gz LXYZNNCPAADYFU-AXFHLTTASA-N 1 0 242.319 -0.384 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614842415 363990168 /nfs/dbraw/zinc/99/01/68/363990168.db2.gz LXYZNNCPAADYFU-MXWKQRLJSA-N 1 0 242.319 -0.384 20 30 BBEDRO C=CCOCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614851785 364006659 /nfs/dbraw/zinc/00/66/59/364006659.db2.gz CTRITSOZGLLQMA-SECBINFHSA-N 1 0 216.281 -0.772 20 30 BBEDRO C=CCOCC(=O)N[C@H](CO)C[NH+](C)C ZINC000614851786 364006998 /nfs/dbraw/zinc/00/69/98/364006998.db2.gz CTRITSOZGLLQMA-VIFPVBQESA-N 1 0 216.281 -0.772 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614852137 364005721 /nfs/dbraw/zinc/00/57/21/364005721.db2.gz OQTLIHZXRHCYNA-GXSJLCMTSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=C[C@](C)(O)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614852138 364005678 /nfs/dbraw/zinc/00/56/78/364005678.db2.gz OQTLIHZXRHCYNA-KOLCDFICSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614852139 364005809 /nfs/dbraw/zinc/00/58/09/364005809.db2.gz OQTLIHZXRHCYNA-MWLCHTKSSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=C[C@](C)(O)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614852140 364005459 /nfs/dbraw/zinc/00/54/59/364005459.db2.gz OQTLIHZXRHCYNA-ONGXEEELSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=CCCOCC(=O)N[C@H](CO)C[NH+](C)C ZINC000614854717 364009341 /nfs/dbraw/zinc/00/93/41/364009341.db2.gz RKCZIHHMDOZFQL-JTQLQIEISA-N 1 0 230.308 -0.382 20 30 BBEDRO C=CCCOCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614854718 364009336 /nfs/dbraw/zinc/00/93/36/364009336.db2.gz RKCZIHHMDOZFQL-SNVBAGLBSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000615079721 364462432 /nfs/dbraw/zinc/46/24/32/364462432.db2.gz XQRGGWNEEORCBH-ATZCPNFKSA-N 1 0 228.292 -0.943 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000615079722 364462357 /nfs/dbraw/zinc/46/23/57/364462357.db2.gz XQRGGWNEEORCBH-QXEWZRGKSA-N 1 0 228.292 -0.943 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000615177509 364599667 /nfs/dbraw/zinc/59/96/67/364599667.db2.gz PUGMKYMSPNTXMM-BDAKNGLRSA-N 1 0 200.282 -0.153 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000615177525 364599632 /nfs/dbraw/zinc/59/96/32/364599632.db2.gz PUGMKYMSPNTXMM-DTWKUNHWSA-N 1 0 200.282 -0.153 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000615177527 364599346 /nfs/dbraw/zinc/59/93/46/364599346.db2.gz PUGMKYMSPNTXMM-IUCAKERBSA-N 1 0 200.282 -0.153 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000615177528 364599637 /nfs/dbraw/zinc/59/96/37/364599637.db2.gz PUGMKYMSPNTXMM-RKDXNWHRSA-N 1 0 200.282 -0.153 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000615186333 364610342 /nfs/dbraw/zinc/61/03/42/364610342.db2.gz ZCVYDNGEMNLYOC-AEJSXWLSSA-N 1 0 210.277 -0.304 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000615186335 364610176 /nfs/dbraw/zinc/61/01/76/364610176.db2.gz ZCVYDNGEMNLYOC-BBBLOLIVSA-N 1 0 210.277 -0.304 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000615186338 364610110 /nfs/dbraw/zinc/61/01/10/364610110.db2.gz ZCVYDNGEMNLYOC-GUBZILKMSA-N 1 0 210.277 -0.304 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000615186340 364610031 /nfs/dbraw/zinc/61/00/31/364610031.db2.gz ZCVYDNGEMNLYOC-UTLUCORTSA-N 1 0 210.277 -0.304 20 30 BBEDRO N#CC1(NC(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000615223975 364644516 /nfs/dbraw/zinc/64/45/16/364644516.db2.gz KYDNPXHQSHRKOS-GHMZBOCLSA-N 1 0 248.330 -0.300 20 30 BBEDRO N#CC1(NC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000615223976 364644665 /nfs/dbraw/zinc/64/46/65/364644665.db2.gz KYDNPXHQSHRKOS-PHIMTYICSA-N 1 0 248.330 -0.300 20 30 BBEDRO N#CC1(NC(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000615223977 364644599 /nfs/dbraw/zinc/64/45/99/364644599.db2.gz KYDNPXHQSHRKOS-QWRGUYRKSA-N 1 0 248.330 -0.300 20 30 BBEDRO C=C[C@@H](O)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000615377164 364760097 /nfs/dbraw/zinc/76/00/97/364760097.db2.gz OBLYALKCFQYQQV-SECBINFHSA-N 1 0 238.291 -0.070 20 30 BBEDRO C=C[C@H](O)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000615377165 364760401 /nfs/dbraw/zinc/76/04/01/364760401.db2.gz OBLYALKCFQYQQV-VIFPVBQESA-N 1 0 238.291 -0.070 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615502012 411433646 /nfs/dbraw/zinc/43/36/46/411433646.db2.gz ANYRWFHJLUEGKN-LLVKDONJSA-N 1 0 212.293 -0.057 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615502013 411433701 /nfs/dbraw/zinc/43/37/01/411433701.db2.gz ANYRWFHJLUEGKN-NSHDSACASA-N 1 0 212.293 -0.057 20 30 BBEDRO C=CCn1cc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)nn1 ZINC000615573422 490240655 /nfs/dbraw/zinc/24/06/55/490240655.db2.gz NBNJSGSZNKDUFB-JTQLQIEISA-N 1 0 247.302 -0.006 20 30 BBEDRO CN1CCO[C@H](C(=O)N2CC[C@@](F)(C#N)C2)C1 ZINC000615825677 368461534 /nfs/dbraw/zinc/46/15/34/368461534.db2.gz MVKPESKUMRNCQC-GXSJLCMTSA-N 1 0 241.266 -0.219 20 30 BBEDRO CN1CCO[C@@H](C(=O)N2CC[C@](F)(C#N)C2)C1 ZINC000615825685 368461898 /nfs/dbraw/zinc/46/18/98/368461898.db2.gz MVKPESKUMRNCQC-KOLCDFICSA-N 1 0 241.266 -0.219 20 30 BBEDRO CN1CCO[C@@H](C(=O)N2CC[C@@](F)(C#N)C2)C1 ZINC000615825687 368461856 /nfs/dbraw/zinc/46/18/56/368461856.db2.gz MVKPESKUMRNCQC-MWLCHTKSSA-N 1 0 241.266 -0.219 20 30 BBEDRO CN1CCO[C@H](C(=O)N2CC[C@](F)(C#N)C2)C1 ZINC000615825689 368461717 /nfs/dbraw/zinc/46/17/17/368461717.db2.gz MVKPESKUMRNCQC-ONGXEEELSA-N 1 0 241.266 -0.219 20 30 BBEDRO C=C[C@H](O)C(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000615861422 368557794 /nfs/dbraw/zinc/55/77/94/368557794.db2.gz ZUIRDBIGVBOEPA-AXFHLTTASA-N 1 0 240.303 -0.487 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000615861423 368558244 /nfs/dbraw/zinc/55/82/44/368558244.db2.gz ZUIRDBIGVBOEPA-OUAUKWLOSA-N 1 0 240.303 -0.487 20 30 BBEDRO C=C[C@H](O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000615862866 368560350 /nfs/dbraw/zinc/56/03/50/368560350.db2.gz BBDYZKXEVLVLHL-AXFHLTTASA-N 1 0 242.319 -0.553 20 30 BBEDRO C=C[C@@H](O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000615862871 368561120 /nfs/dbraw/zinc/56/11/20/368561120.db2.gz BBDYZKXEVLVLHL-OUAUKWLOSA-N 1 0 242.319 -0.553 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000615990682 368858520 /nfs/dbraw/zinc/85/85/20/368858520.db2.gz IUKYSJBHLOBAFU-GFCCVEGCSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000615990684 368858585 /nfs/dbraw/zinc/85/85/85/368858585.db2.gz IUKYSJBHLOBAFU-LBPRGKRZSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@@H](O)C(=O)NC(C)(C)C[NH+](C)C ZINC000616188530 369020517 /nfs/dbraw/zinc/02/05/17/369020517.db2.gz WSKDDWCLCIUIKW-MRVPVSSYSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@H](O)C(=O)NC(C)(C)C[NH+](C)C ZINC000616188531 369020532 /nfs/dbraw/zinc/02/05/32/369020532.db2.gz WSKDDWCLCIUIKW-QMMMGPOBSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC[C@H](C)[NH+](C)C ZINC000616486584 343471676 /nfs/dbraw/zinc/47/16/76/343471676.db2.gz AAFRXRMUXNNQRZ-WCBMZHEXSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC[C@H](C)[NH+](C)C ZINC000616486585 343471337 /nfs/dbraw/zinc/47/13/37/343471337.db2.gz AAFRXRMUXNNQRZ-WPRPVWTQSA-N 1 0 200.282 -0.010 20 30 BBEDRO CC#CC[C@@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000616506593 343485761 /nfs/dbraw/zinc/48/57/61/343485761.db2.gz ZPGSTNVEDMZBOZ-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO CC#CC[C@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000616506594 343485872 /nfs/dbraw/zinc/48/58/72/343485872.db2.gz ZPGSTNVEDMZBOZ-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000616550244 343500890 /nfs/dbraw/zinc/50/08/90/343500890.db2.gz NYAZBSBAFXYPDJ-PWSUYJOCSA-N 1 0 240.303 -0.799 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000616550245 343500521 /nfs/dbraw/zinc/50/05/21/343500521.db2.gz NYAZBSBAFXYPDJ-ZYHUDNBSSA-N 1 0 240.303 -0.799 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000616696787 343541435 /nfs/dbraw/zinc/54/14/35/343541435.db2.gz ILYFQYVTHKOCJM-AEJSXWLSSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000616696788 343541335 /nfs/dbraw/zinc/54/13/35/343541335.db2.gz ILYFQYVTHKOCJM-KXUCPTDWSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000616702800 343544806 /nfs/dbraw/zinc/54/48/06/343544806.db2.gz GGCROFLFRZASJD-HOSYDEDBSA-N 1 0 240.303 -0.799 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000616702801 343544673 /nfs/dbraw/zinc/54/46/73/343544673.db2.gz GGCROFLFRZASJD-UMNHJUIQSA-N 1 0 240.303 -0.799 20 30 BBEDRO C=CCCNC(=O)CN1CCN(C)CC1 ZINC000617616077 356185921 /nfs/dbraw/zinc/18/59/21/356185921.db2.gz IJIJRBIALNBHGH-UHFFFAOYSA-N 1 0 211.309 -0.074 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617759540 356315917 /nfs/dbraw/zinc/31/59/17/356315917.db2.gz JGCISMCDTLOQRI-BDAKNGLRSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617759541 356316171 /nfs/dbraw/zinc/31/61/71/356316171.db2.gz JGCISMCDTLOQRI-DTWKUNHWSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617759542 356316311 /nfs/dbraw/zinc/31/63/11/356316311.db2.gz JGCISMCDTLOQRI-IUCAKERBSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617759543 356315983 /nfs/dbraw/zinc/31/59/83/356315983.db2.gz JGCISMCDTLOQRI-RKDXNWHRSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618189572 369082469 /nfs/dbraw/zinc/08/24/69/369082469.db2.gz NEJJUOQIXGUZMH-LLVKDONJSA-N 1 0 212.293 -0.057 20 30 BBEDRO C=C[C@](C)(O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618189575 369082457 /nfs/dbraw/zinc/08/24/57/369082457.db2.gz NEJJUOQIXGUZMH-NSHDSACASA-N 1 0 212.293 -0.057 20 30 BBEDRO C[C@H](C(=O)NCC[NH+]1CCC1)n1cnc(C#N)n1 ZINC000619614677 369494858 /nfs/dbraw/zinc/49/48/58/369494858.db2.gz KQHHJZOCTPWEKF-SECBINFHSA-N 1 0 248.290 -0.467 20 30 BBEDRO C[C@@H](C(=O)NCC[NH+]1CCC1)n1cnc(C#N)n1 ZINC000619614678 369493400 /nfs/dbraw/zinc/49/34/00/369493400.db2.gz KQHHJZOCTPWEKF-VIFPVBQESA-N 1 0 248.290 -0.467 20 30 BBEDRO C=C[C@H](C(=O)OC)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000619717227 369547239 /nfs/dbraw/zinc/54/72/39/369547239.db2.gz LPPPDFUUDWZARB-GHMZBOCLSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C[C@@H](C(=O)OC)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000619717228 369547306 /nfs/dbraw/zinc/54/73/06/369547306.db2.gz LPPPDFUUDWZARB-MNOVXSKESA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C[C@@H](C(=O)OC)N1CC[NH+](C[C@H](C)O)CC1 ZINC000619717229 369547788 /nfs/dbraw/zinc/54/77/88/369547788.db2.gz LPPPDFUUDWZARB-QWRGUYRKSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C[C@H](C(=O)OC)N1CC[NH+](C[C@H](C)O)CC1 ZINC000619717230 369547702 /nfs/dbraw/zinc/54/77/02/369547702.db2.gz LPPPDFUUDWZARB-WDEREUQCSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C[C@H](C(=O)OC)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000619721866 369552770 /nfs/dbraw/zinc/55/27/70/369552770.db2.gz RVFFMTBAVIMNED-GHMZBOCLSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C[C@@H](C(=O)OC)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000619721867 369552752 /nfs/dbraw/zinc/55/27/52/369552752.db2.gz RVFFMTBAVIMNED-MNOVXSKESA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C[C@@H](C(=O)OC)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000619721868 369552910 /nfs/dbraw/zinc/55/29/10/369552910.db2.gz RVFFMTBAVIMNED-QWRGUYRKSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C[C@H](C(=O)OC)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000619721869 369552923 /nfs/dbraw/zinc/55/29/23/369552923.db2.gz RVFFMTBAVIMNED-WDEREUQCSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C[C@H](C(=O)OC)N1CC[C@]2(CNC(=O)C2)C1 ZINC000619722378 369553017 /nfs/dbraw/zinc/55/30/17/369553017.db2.gz QMUUTVDHKBAOCH-SKDRFNHKSA-N 1 0 238.287 -0.074 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000620592363 369945100 /nfs/dbraw/zinc/94/51/00/369945100.db2.gz PTSCALVYBHWPQO-OPRDCNLKSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCS(=O)(=O)NC ZINC000621299410 370227426 /nfs/dbraw/zinc/22/74/26/370227426.db2.gz BZYVRYIGJOORKA-ZJUUUORDSA-N 1 0 248.348 -0.141 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCS(=O)(=O)NC ZINC000621299966 370227184 /nfs/dbraw/zinc/22/71/84/370227184.db2.gz XNJGXFRSRBDLEC-BDAKNGLRSA-N 1 0 234.321 -0.531 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCCNc1cc[nH+]cc1 ZINC000621678596 370429109 /nfs/dbraw/zinc/42/91/09/370429109.db2.gz ZUKHTXJYWILMPY-GFCCVEGCSA-N 1 0 235.287 -0.031 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCCNc1cc[nH+]cc1 ZINC000621678597 370429255 /nfs/dbraw/zinc/42/92/55/370429255.db2.gz ZUKHTXJYWILMPY-LBPRGKRZSA-N 1 0 235.287 -0.031 20 30 BBEDRO C=CCn1cc(C(=O)NCC[C@H](C)[NH3+])nn1 ZINC000621703763 370452185 /nfs/dbraw/zinc/45/21/85/370452185.db2.gz FLXDCPBNOLDZPI-QMMMGPOBSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623955168 371177727 /nfs/dbraw/zinc/17/77/27/371177727.db2.gz PEWBLFMZQCLZNY-UHFFFAOYSA-N 1 0 206.253 -0.147 20 30 BBEDRO C=C(C)COCCNc1nc(N)[nH+]c(N)n1 ZINC000624038674 371267890 /nfs/dbraw/zinc/26/78/90/371267890.db2.gz QTCMDGWURUGJAI-UHFFFAOYSA-N 1 0 224.268 -0.877 20 30 BBEDRO C=CCCOCCNc1nc(N)[nH+]c(N)n1 ZINC000624066664 371288765 /nfs/dbraw/zinc/28/87/65/371288765.db2.gz VLZMYNSOUKZWHL-UHFFFAOYSA-N 1 0 224.268 -0.877 20 30 BBEDRO C=CCN(c1nc(N)[nH+]c(N)n1)C1CC1 ZINC000624083227 371297284 /nfs/dbraw/zinc/29/72/84/371297284.db2.gz CAVKNLQACOMBGF-UHFFFAOYSA-N 1 0 206.253 -0.148 20 30 BBEDRO C=CCCCCNc1nc(N)[nH+]c(N)n1 ZINC000624108550 371312583 /nfs/dbraw/zinc/31/25/83/371312583.db2.gz ZEGLLOIKTIZQJL-UHFFFAOYSA-N 1 0 208.269 -0.113 20 30 BBEDRO C=CCN(CCOC)c1nc(N)[nH+]c(N)n1 ZINC000624154745 371349838 /nfs/dbraw/zinc/34/98/38/371349838.db2.gz UKXHFWFZQCXASK-UHFFFAOYSA-N 1 0 224.268 -0.664 20 30 BBEDRO C=CC[C@H](CC)Nc1nc(N)[nH+]c(N)n1 ZINC000624184206 371375775 /nfs/dbraw/zinc/37/57/75/371375775.db2.gz TWBYCCYJZMCPFS-LURJTMIESA-N 1 0 208.269 -0.115 20 30 BBEDRO C=CC[C@@H](CC)Nc1nc(N)[nH+]c(N)n1 ZINC000624184207 371375825 /nfs/dbraw/zinc/37/58/25/371375825.db2.gz TWBYCCYJZMCPFS-ZCFIWIBFSA-N 1 0 208.269 -0.115 20 30 BBEDRO C=CC(C)(C)CNc1nc(N)[nH+]c(N)n1 ZINC000624253964 371439905 /nfs/dbraw/zinc/43/99/05/371439905.db2.gz JHXWGIXXXOORIJ-UHFFFAOYSA-N 1 0 208.269 -0.257 20 30 BBEDRO C=C[C@@H]1OCCC[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624257125 371443417 /nfs/dbraw/zinc/44/34/17/371443417.db2.gz VSPYNBRRNCOAAP-RQJHMYQMSA-N 1 0 236.279 -0.736 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624294822 371460646 /nfs/dbraw/zinc/46/06/46/371460646.db2.gz JBAPVJICLKHOOW-BQBZGAKWSA-N 1 0 236.279 -0.878 20 30 BBEDRO C=CCCS(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624387666 371496323 /nfs/dbraw/zinc/49/63/23/371496323.db2.gz YHVGQEMCLJCOOL-UHFFFAOYSA-N 1 0 248.348 -0.010 20 30 BBEDRO C=CCCS(=O)(=O)NCCOCC[NH2+]C ZINC000624395378 343752838 /nfs/dbraw/zinc/75/28/38/343752838.db2.gz UYRZSLUFPDZQAP-UHFFFAOYSA-N 1 0 236.337 -0.282 20 30 BBEDRO C=CCOCCCNc1nc(N)[nH+]c(N)n1 ZINC000624398361 343752895 /nfs/dbraw/zinc/75/28/95/343752895.db2.gz DPVGDZREPUXIGG-UHFFFAOYSA-N 1 0 224.268 -0.877 20 30 BBEDRO C=CCCS(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000624403297 371500486 /nfs/dbraw/zinc/50/04/86/371500486.db2.gz YKWWXGIMJSTDGN-UHFFFAOYSA-N 1 0 248.348 -0.010 20 30 BBEDRO C=CCCS(=O)(=O)NCCOCCC[NH3+] ZINC000624408562 343758618 /nfs/dbraw/zinc/75/86/18/343758618.db2.gz YFYWLSOHADIQQW-UHFFFAOYSA-N 1 0 236.337 -0.153 20 30 BBEDRO C=CCCS(=O)(=O)N(C)CCOCC[NH3+] ZINC000624409812 371502077 /nfs/dbraw/zinc/50/20/77/371502077.db2.gz SDNGZNMJKPFKAM-UHFFFAOYSA-N 1 0 236.337 -0.201 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000625564941 398199820 /nfs/dbraw/zinc/19/98/20/398199820.db2.gz ZSSUIZUNBMRPHZ-NXEZZACHSA-N 1 0 215.293 -0.211 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000625564942 398200236 /nfs/dbraw/zinc/20/02/36/398200236.db2.gz ZSSUIZUNBMRPHZ-ZJUUUORDSA-N 1 0 215.293 -0.211 20 30 BBEDRO C=CCC[C@@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625721883 344056206 /nfs/dbraw/zinc/05/62/06/344056206.db2.gz AASGEPUYWBRKSU-UTLUCORTSA-N 1 0 201.266 -0.649 20 30 BBEDRO CC#CC[N@@H+](CCO)CCOCCOC ZINC000625755016 487844803 /nfs/dbraw/zinc/84/48/03/487844803.db2.gz RSFLUGBUZFKMBY-UHFFFAOYSA-N 1 0 215.293 -0.033 20 30 BBEDRO C=CCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626034113 344685069 /nfs/dbraw/zinc/68/50/69/344685069.db2.gz OOOZDQLXMJRWPY-UHFFFAOYSA-N 1 0 233.337 -0.180 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037575 344688906 /nfs/dbraw/zinc/68/89/06/344688906.db2.gz VEDBSYBPDCAMMR-DTORHVGOSA-N 1 0 225.292 -0.516 20 30 BBEDRO COCC#CC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039341 344691704 /nfs/dbraw/zinc/69/17/04/344691704.db2.gz ZYGWDCATCYYWJK-AOOOYVTPSA-N 1 0 210.277 -0.168 20 30 BBEDRO C=CCNC(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626043220 344694350 /nfs/dbraw/zinc/69/43/50/344694350.db2.gz JHBADDHCVVQJIE-AOOOYVTPSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626079702 344726445 /nfs/dbraw/zinc/72/64/45/344726445.db2.gz NIIKXSQYGJOXIK-GHMZBOCLSA-N 1 0 242.319 -0.110 20 30 BBEDRO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626079703 344726644 /nfs/dbraw/zinc/72/66/44/344726644.db2.gz NIIKXSQYGJOXIK-MNOVXSKESA-N 1 0 242.319 -0.110 20 30 BBEDRO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626079704 344726318 /nfs/dbraw/zinc/72/63/18/344726318.db2.gz NIIKXSQYGJOXIK-QWRGUYRKSA-N 1 0 242.319 -0.110 20 30 BBEDRO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626079705 344726606 /nfs/dbraw/zinc/72/66/06/344726606.db2.gz NIIKXSQYGJOXIK-WDEREUQCSA-N 1 0 242.319 -0.110 20 30 BBEDRO C=CCOCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627011462 363113343 /nfs/dbraw/zinc/11/33/43/363113343.db2.gz AWAWPNDXVWYXHZ-JTQLQIEISA-N 1 0 243.307 -0.523 20 30 BBEDRO C=CCOCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627011463 363112714 /nfs/dbraw/zinc/11/27/14/363112714.db2.gz AWAWPNDXVWYXHZ-SNVBAGLBSA-N 1 0 243.307 -0.523 20 30 BBEDRO C=CCOCCNC(=O)N(C)CCOCC[NH3+] ZINC000627011747 363113378 /nfs/dbraw/zinc/11/33/78/363113378.db2.gz IYGNAQDWWRJXGE-UHFFFAOYSA-N 1 0 245.323 -0.194 20 30 BBEDRO C=CCOCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627011956 363112675 /nfs/dbraw/zinc/11/26/75/363112675.db2.gz NJHRZGOEVBDASD-SECBINFHSA-N 1 0 213.281 -0.150 20 30 BBEDRO CC#CCCNC(=O)NCCOCC[NH2+]C ZINC000627016231 363115196 /nfs/dbraw/zinc/11/51/96/363115196.db2.gz JVBWGKWRUYIROG-UHFFFAOYSA-N 1 0 227.308 -0.065 20 30 BBEDRO CC#CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627017574 363116504 /nfs/dbraw/zinc/11/65/04/363116504.db2.gz WZVLYVWUVDUEMJ-JTQLQIEISA-N 1 0 225.292 -0.313 20 30 BBEDRO CC#CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627017576 363115942 /nfs/dbraw/zinc/11/59/42/363115942.db2.gz WZVLYVWUVDUEMJ-SNVBAGLBSA-N 1 0 225.292 -0.313 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627052071 363171971 /nfs/dbraw/zinc/17/19/71/363171971.db2.gz WYUCPWKTGWFDHQ-BBBLOLIVSA-N 1 0 225.292 -0.009 20 30 BBEDRO C=CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627111973 363271970 /nfs/dbraw/zinc/27/19/70/363271970.db2.gz HVQWHLBVRMTTHC-SECBINFHSA-N 1 0 213.281 -0.150 20 30 BBEDRO C=CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627111974 363272260 /nfs/dbraw/zinc/27/22/60/363272260.db2.gz HVQWHLBVRMTTHC-VIFPVBQESA-N 1 0 213.281 -0.150 20 30 BBEDRO C=CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627156153 363396496 /nfs/dbraw/zinc/39/64/96/363396496.db2.gz VNGSHDJLTLKWOC-UHFFFAOYSA-N 1 0 213.281 -0.021 20 30 BBEDRO CC#CCN(C)C(=O)NCCOCC[NH2+]C ZINC000627172427 363420926 /nfs/dbraw/zinc/42/09/26/363420926.db2.gz YZSGIUWLFIXISG-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)NCCOCC[NH2+]C ZINC000627173229 363421028 /nfs/dbraw/zinc/42/10/28/363421028.db2.gz QXWNBLGHRYAVHS-JTQLQIEISA-N 1 0 245.323 -0.541 20 30 BBEDRO C=CC[C@H](CO)NC(=O)NCCOCC[NH2+]C ZINC000627173230 363420939 /nfs/dbraw/zinc/42/09/39/363420939.db2.gz QXWNBLGHRYAVHS-SNVBAGLBSA-N 1 0 245.323 -0.541 20 30 BBEDRO C=CCNC(=O)NCCOCC[NH2+]C ZINC000627178859 363427720 /nfs/dbraw/zinc/42/77/20/363427720.db2.gz ARHCSDPGBKWUFT-UHFFFAOYSA-N 1 0 201.270 -0.292 20 30 BBEDRO C=CCN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627188820 363446745 /nfs/dbraw/zinc/44/67/45/363446745.db2.gz GUGWREDHICOQIY-SECBINFHSA-N 1 0 213.281 -0.198 20 30 BBEDRO C=CCN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627188821 363447177 /nfs/dbraw/zinc/44/71/77/363447177.db2.gz GUGWREDHICOQIY-VIFPVBQESA-N 1 0 213.281 -0.198 20 30 BBEDRO C=CC[C@H](CO)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627188885 363447145 /nfs/dbraw/zinc/44/71/45/363447145.db2.gz HMSSUOPEDBYJNO-NXEZZACHSA-N 1 0 243.307 -0.789 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627188886 363446993 /nfs/dbraw/zinc/44/69/93/363446993.db2.gz HMSSUOPEDBYJNO-UWVGGRQHSA-N 1 0 243.307 -0.789 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627188888 363447207 /nfs/dbraw/zinc/44/72/07/363447207.db2.gz HMSSUOPEDBYJNO-VHSXEESVSA-N 1 0 243.307 -0.789 20 30 BBEDRO C=CC[C@H](CO)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627188889 363446910 /nfs/dbraw/zinc/44/69/10/363446910.db2.gz HMSSUOPEDBYJNO-ZJUUUORDSA-N 1 0 243.307 -0.789 20 30 BBEDRO CC#CCN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627189440 363446982 /nfs/dbraw/zinc/44/69/82/363446982.db2.gz REIIKZRSLJCMSA-JTQLQIEISA-N 1 0 225.292 -0.361 20 30 BBEDRO CC#CCN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627189441 363446119 /nfs/dbraw/zinc/44/61/19/363446119.db2.gz REIIKZRSLJCMSA-SNVBAGLBSA-N 1 0 225.292 -0.361 20 30 BBEDRO C=C(C)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627189843 363447888 /nfs/dbraw/zinc/44/78/88/363447888.db2.gz KWLMFTOXILYJBI-SECBINFHSA-N 1 0 213.281 -0.150 20 30 BBEDRO C=C(C)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627189844 363447759 /nfs/dbraw/zinc/44/77/59/363447759.db2.gz KWLMFTOXILYJBI-VIFPVBQESA-N 1 0 213.281 -0.150 20 30 BBEDRO C=CCNC(=O)NCCOCCC[NH3+] ZINC000627208020 363506457 /nfs/dbraw/zinc/50/64/57/363506457.db2.gz FSARJXFULUMITE-UHFFFAOYSA-N 1 0 201.270 -0.163 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)NCCOCCC[NH3+] ZINC000627215186 363512164 /nfs/dbraw/zinc/51/21/64/363512164.db2.gz CNKKBNNNFHJMCZ-JTQLQIEISA-N 1 0 245.323 -0.412 20 30 BBEDRO C=CC[C@H](CO)NC(=O)NCCOCCC[NH3+] ZINC000627215187 363511631 /nfs/dbraw/zinc/51/16/31/363511631.db2.gz CNKKBNNNFHJMCZ-SNVBAGLBSA-N 1 0 245.323 -0.412 20 30 BBEDRO C=CCNC(=O)CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627241995 363832957 /nfs/dbraw/zinc/83/29/57/363832957.db2.gz NRCALDPBKURRLT-DTWKUNHWSA-N 1 0 240.307 -0.662 20 30 BBEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242008 363832780 /nfs/dbraw/zinc/83/27/80/363832780.db2.gz MASRCWNNQUXIQB-IVZWLZJFSA-N 1 0 227.308 -0.027 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242009 363833169 /nfs/dbraw/zinc/83/31/69/363833169.db2.gz MASRCWNNQUXIQB-LPEHRKFASA-N 1 0 227.308 -0.027 20 30 BBEDRO C=CC[C@@H](CO)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249730 363861805 /nfs/dbraw/zinc/86/18/05/363861805.db2.gz BHFBRPVJQJPWKE-NXEZZACHSA-N 1 0 227.308 -0.168 20 30 BBEDRO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249731 363861766 /nfs/dbraw/zinc/86/17/66/363861766.db2.gz BHFBRPVJQJPWKE-VHSXEESVSA-N 1 0 227.308 -0.168 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249822 363864149 /nfs/dbraw/zinc/86/41/49/363864149.db2.gz GZHQFIPHEYUAER-BDAKNGLRSA-N 1 0 213.281 -0.416 20 30 BBEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249823 363864132 /nfs/dbraw/zinc/86/41/32/363864132.db2.gz GZHQFIPHEYUAER-RKDXNWHRSA-N 1 0 213.281 -0.416 20 30 BBEDRO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252318 363878251 /nfs/dbraw/zinc/87/82/51/363878251.db2.gz QHHJDGBWXRYIKC-NXEZZACHSA-N 1 0 227.308 -0.025 20 30 BBEDRO C=CCC[C@@H](CO)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252319 363878090 /nfs/dbraw/zinc/87/80/90/363878090.db2.gz QHHJDGBWXRYIKC-ZJUUUORDSA-N 1 0 227.308 -0.025 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627314595 370261010 /nfs/dbraw/zinc/26/10/10/370261010.db2.gz HSQGPOWYVUWRGP-VHSXEESVSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627314778 370263073 /nfs/dbraw/zinc/26/30/73/370263073.db2.gz MUZATNLASZFUAR-SECBINFHSA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCCCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627315018 370265906 /nfs/dbraw/zinc/26/59/06/370265906.db2.gz SYPAOQKNEQPUBL-UHFFFAOYSA-N 1 0 227.308 -0.124 20 30 BBEDRO C=CC(C)(C)CCNC(=O)C(=O)NCC[NH3+] ZINC000627399265 371600982 /nfs/dbraw/zinc/60/09/82/371600982.db2.gz LHSLUOYQNLJPON-UHFFFAOYSA-N 1 0 227.308 -0.220 20 30 BBEDRO C=CC(C)(C)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000627407076 371604215 /nfs/dbraw/zinc/60/42/15/371604215.db2.gz DCUBZKFDGWNJQG-UHFFFAOYSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627457964 371631414 /nfs/dbraw/zinc/63/14/14/371631414.db2.gz PCEBZCKXAMPYFK-VHSXEESVSA-N 1 0 239.319 -0.113 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627477888 371646472 /nfs/dbraw/zinc/64/64/72/371646472.db2.gz DEAWCEBDLPEOPK-NXEZZACHSA-N 1 0 239.319 -0.113 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627477889 371646409 /nfs/dbraw/zinc/64/64/09/371646409.db2.gz DEAWCEBDLPEOPK-UWVGGRQHSA-N 1 0 239.319 -0.113 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627477890 371647538 /nfs/dbraw/zinc/64/75/38/371647538.db2.gz DEAWCEBDLPEOPK-VHSXEESVSA-N 1 0 239.319 -0.113 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627477891 371647078 /nfs/dbraw/zinc/64/70/78/371647078.db2.gz DEAWCEBDLPEOPK-ZJUUUORDSA-N 1 0 239.319 -0.113 20 30 BBEDRO C=CCN(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488729 371653388 /nfs/dbraw/zinc/65/33/88/371653388.db2.gz HJCZTMNRGGPTCI-UHFFFAOYSA-N 1 0 243.307 -0.888 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502515 371665775 /nfs/dbraw/zinc/66/57/75/371665775.db2.gz ACWNLBQQEVVIEQ-VHSXEESVSA-N 1 0 239.319 -0.113 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502789 357038676 /nfs/dbraw/zinc/03/86/76/357038676.db2.gz NJDZVAKADWUSJJ-DTWKUNHWSA-N 1 0 225.292 -0.503 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504116 371666015 /nfs/dbraw/zinc/66/60/15/371666015.db2.gz WIYVQFHWJHUHBF-SNVBAGLBSA-N 1 0 237.303 -0.335 20 30 BBEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504865 371667721 /nfs/dbraw/zinc/66/77/21/371667721.db2.gz IVFHLFQYDLFCHQ-SNVBAGLBSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504881 371668037 /nfs/dbraw/zinc/66/80/37/371668037.db2.gz JMNJPPOYVOWTOE-SNVBAGLBSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506951 371667834 /nfs/dbraw/zinc/66/78/34/371667834.db2.gz SITRNVUXTBRSRC-SECBINFHSA-N 1 0 225.292 -0.501 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507052 371667943 /nfs/dbraw/zinc/66/79/43/371667943.db2.gz YCCIAYGBSRSBCP-MRVPVSSYSA-N 1 0 211.265 -0.891 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627656085 371813960 /nfs/dbraw/zinc/81/39/60/371813960.db2.gz SXUDOLGFLUKIJA-FYLLDIAZSA-N 1 0 224.304 -0.058 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627656086 371814171 /nfs/dbraw/zinc/81/41/71/371814171.db2.gz SXUDOLGFLUKIJA-XNDJQWLSSA-N 1 0 224.304 -0.058 20 30 BBEDRO C=C[C@](C)(O)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629169995 360917192 /nfs/dbraw/zinc/91/71/92/360917192.db2.gz QKWKBMPIBIBOAA-PWSUYJOCSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629170004 360917115 /nfs/dbraw/zinc/91/71/15/360917115.db2.gz QKWKBMPIBIBOAA-ZYHUDNBSSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629170232 387911868 /nfs/dbraw/zinc/91/18/68/387911868.db2.gz WPQMBNRSZYKPOA-KOLCDFICSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629170233 387911778 /nfs/dbraw/zinc/91/17/78/387911778.db2.gz WPQMBNRSZYKPOA-MWLCHTKSSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=CCCOCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629176550 360923922 /nfs/dbraw/zinc/92/39/22/360923922.db2.gz YKZLIHFGFFNZKB-LLVKDONJSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=CCNC(=O)CN(C)CCOCC[NH2+]C ZINC000629567439 361458563 /nfs/dbraw/zinc/45/85/63/361458563.db2.gz OECNUKDWEDGPCM-UHFFFAOYSA-N 1 0 229.324 -0.544 20 30 BBEDRO C=CCNC(=O)CN(C)CCOCC[NH3+] ZINC000629576106 361465765 /nfs/dbraw/zinc/46/57/65/361465765.db2.gz RRFMMMNLMPZXCJ-UHFFFAOYSA-N 1 0 215.297 -0.804 20 30 BBEDRO C=CCN1CC[C@@H]([N@H+](C)CCOCC[NH3+])C1=O ZINC000629581031 361471332 /nfs/dbraw/zinc/47/13/32/361471332.db2.gz KHGNMLBRXBHCSU-LLVKDONJSA-N 1 0 241.335 -0.320 20 30 BBEDRO C=CCN1CC[C@H]([N@H+](C)CCOCC[NH3+])C1=O ZINC000629581032 361470690 /nfs/dbraw/zinc/47/06/90/361470690.db2.gz KHGNMLBRXBHCSU-NSHDSACASA-N 1 0 241.335 -0.320 20 30 BBEDRO OCC#CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629584213 361469703 /nfs/dbraw/zinc/46/97/03/361469703.db2.gz RNNSSUJZCQSYIN-LLVKDONJSA-N 1 0 212.293 -0.972 20 30 BBEDRO OCC#CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629584215 361469861 /nfs/dbraw/zinc/46/98/61/361469861.db2.gz RNNSSUJZCQSYIN-NSHDSACASA-N 1 0 212.293 -0.972 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)N(CC)CC[NH3+] ZINC000629783845 361704440 /nfs/dbraw/zinc/70/44/40/361704440.db2.gz IEEUWERKENCCRW-UHFFFAOYSA-N 1 0 239.319 -0.006 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629787710 361701789 /nfs/dbraw/zinc/70/17/89/361701789.db2.gz JTJLFUJJAMEYIH-UHFFFAOYSA-N 1 0 243.307 -0.936 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N(CC)CC[NH3+] ZINC000629788725 361701996 /nfs/dbraw/zinc/70/19/96/361701996.db2.gz TYDWEOVIQHBNDO-UHFFFAOYSA-N 1 0 213.281 -0.562 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N(CC)CC[NH3+] ZINC000629801021 388171686 /nfs/dbraw/zinc/17/16/86/388171686.db2.gz GXCKDWXBSXKRKS-UHFFFAOYSA-N 1 0 227.308 -0.172 20 30 BBEDRO C=CCCOCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913474 361769198 /nfs/dbraw/zinc/76/91/98/361769198.db2.gz YKZLIHFGFFNZKB-NSHDSACASA-N 1 0 242.319 -0.238 20 30 BBEDRO C=CCOCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913650 361769302 /nfs/dbraw/zinc/76/93/02/361769302.db2.gz MIBPOQOWGXVXJA-JTQLQIEISA-N 1 0 228.292 -0.628 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916306 361772157 /nfs/dbraw/zinc/77/21/57/361772157.db2.gz QKWKBMPIBIBOAA-CMPLNLGQSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@](C)(O)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916308 361771443 /nfs/dbraw/zinc/77/14/43/361771443.db2.gz QKWKBMPIBIBOAA-JQWIXIFHSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629918073 361775172 /nfs/dbraw/zinc/77/51/72/361775172.db2.gz WPQMBNRSZYKPOA-GXSJLCMTSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629918074 361775410 /nfs/dbraw/zinc/77/54/10/361775410.db2.gz WPQMBNRSZYKPOA-ONGXEEELSA-N 1 0 228.292 -0.894 20 30 BBEDRO C[N@H+](CC(=O)NCC#CCO)C1CCC1 ZINC000629990634 361877213 /nfs/dbraw/zinc/87/72/13/361877213.db2.gz WCIRJHZMIKGLAU-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C=CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000630398776 364111377 /nfs/dbraw/zinc/11/13/77/364111377.db2.gz GSZLMIQVISDUEN-VIFPVBQESA-N 1 0 213.281 -0.462 20 30 BBEDRO C=CCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000630588018 364296020 /nfs/dbraw/zinc/29/60/20/364296020.db2.gz AYVWHVIQWVNSEQ-UHFFFAOYSA-N 1 0 221.308 -0.088 20 30 BBEDRO C=CCNC(=O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000630608420 364334489 /nfs/dbraw/zinc/33/44/89/364334489.db2.gz AEMRNFWNUHNUGB-UHFFFAOYSA-N 1 0 235.291 -0.168 20 30 BBEDRO C=CCNC(=O)Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000630608429 364334073 /nfs/dbraw/zinc/33/40/73/364334073.db2.gz AIGNMIRDOWJMHN-MRVPVSSYSA-N 1 0 223.280 -0.139 20 30 BBEDRO C=CCNC(=O)Cn1cc([C@H](C)[NH2+]C)nn1 ZINC000630608432 364334292 /nfs/dbraw/zinc/33/42/92/364334292.db2.gz AIGNMIRDOWJMHN-QMMMGPOBSA-N 1 0 223.280 -0.139 20 30 BBEDRO C=CCNC(=O)Cn1cc(CC[NH+](C)C)nn1 ZINC000630608877 364335438 /nfs/dbraw/zinc/33/54/38/364335438.db2.gz JABBZJIIVYGDDV-UHFFFAOYSA-N 1 0 237.307 -0.316 20 30 BBEDRO C=CCNC(=O)Cn1cc(C[NH2+]CC)nn1 ZINC000630609553 364340218 /nfs/dbraw/zinc/34/02/18/364340218.db2.gz COQCOUXFYSOVSD-UHFFFAOYSA-N 1 0 223.280 -0.310 20 30 BBEDRO C=CCNC(=O)Cn1cc(CCCC[NH3+])nn1 ZINC000630609868 364339974 /nfs/dbraw/zinc/33/99/74/364339974.db2.gz FKBMZGRDEUJBCT-UHFFFAOYSA-N 1 0 237.307 -0.138 20 30 BBEDRO C=CCNC(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630610814 364339248 /nfs/dbraw/zinc/33/92/48/364339248.db2.gz QMBCWMSNSBIPHS-JTQLQIEISA-N 1 0 249.318 -0.268 20 30 BBEDRO C=CCNC(=O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630610815 364339214 /nfs/dbraw/zinc/33/92/14/364339214.db2.gz QMBCWMSNSBIPHS-SNVBAGLBSA-N 1 0 249.318 -0.268 20 30 BBEDRO C=CCNC(=O)Cn1cc([C@H]([NH3+])CC)nn1 ZINC000630611075 364338979 /nfs/dbraw/zinc/33/89/79/364338979.db2.gz XUQHJRQIIBIRMW-MRVPVSSYSA-N 1 0 223.280 -0.010 20 30 BBEDRO C=CCNC(=O)Cn1cc([C@@H]([NH3+])CC)nn1 ZINC000630611076 364338653 /nfs/dbraw/zinc/33/86/53/364338653.db2.gz XUQHJRQIIBIRMW-QMMMGPOBSA-N 1 0 223.280 -0.010 20 30 BBEDRO CC#CCNCc1cn(CC2C[NH2+]C2)nn1 ZINC000630612466 364343625 /nfs/dbraw/zinc/34/36/25/364343625.db2.gz CYKBGMUUCLVYSI-UHFFFAOYSA-N 1 0 219.292 -0.390 20 30 BBEDRO CC#CCNCc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630617327 364352410 /nfs/dbraw/zinc/35/24/10/364352410.db2.gz SPZFYNSNBOGJEV-GFCCVEGCSA-N 1 0 249.318 -0.621 20 30 BBEDRO CC#CCNCc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630617328 364352330 /nfs/dbraw/zinc/35/23/30/364352330.db2.gz SPZFYNSNBOGJEV-LBPRGKRZSA-N 1 0 249.318 -0.621 20 30 BBEDRO C=CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000631001479 369640499 /nfs/dbraw/zinc/64/04/99/369640499.db2.gz QEHBIOMDAQHWOS-UHFFFAOYSA-N 1 0 213.281 -0.021 20 30 BBEDRO C=CCNC(=O)N(C)CCOCC[NH3+] ZINC000631002534 369869791 /nfs/dbraw/zinc/86/97/91/369869791.db2.gz XHEPUSALUQMXFU-UHFFFAOYSA-N 1 0 201.270 -0.211 20 30 BBEDRO C=CCCn1cc(CN[C@H]2COC[C@H]2O)nn1 ZINC000631200176 372232185 /nfs/dbraw/zinc/23/21/85/372232185.db2.gz JVVQBDFKVHEKSQ-WDEREUQCSA-N 1 0 238.291 -0.297 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842836 372640331 /nfs/dbraw/zinc/64/03/31/372640331.db2.gz GUQBQOSGNHIZBR-NXEZZACHSA-N 1 0 211.309 -0.185 20 30 BBEDRO C=CCN1CC[C@H](N2C[C@@H]3C[C@H]2C[NH2+]3)C1=O ZINC000631847912 372644890 /nfs/dbraw/zinc/64/48/90/372644890.db2.gz HBDSNAKSACLFGD-DCAQKATOSA-N 1 0 221.304 -0.181 20 30 BBEDRO C=CCN1CC[C@@H](N2C[C@@H]3C[C@H]2C[NH2+]3)C1=O ZINC000631847913 372645065 /nfs/dbraw/zinc/64/50/65/372645065.db2.gz HBDSNAKSACLFGD-GARJFASQSA-N 1 0 221.304 -0.181 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631851406 372650380 /nfs/dbraw/zinc/65/03/80/372650380.db2.gz ZJEPHLOFTYWHGX-GUBZILKMSA-N 1 0 209.293 -0.277 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631851407 372649701 /nfs/dbraw/zinc/64/97/01/372649701.db2.gz ZJEPHLOFTYWHGX-UTLUCORTSA-N 1 0 209.293 -0.277 20 30 BBEDRO C=CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631856547 372654732 /nfs/dbraw/zinc/65/47/32/372654732.db2.gz NAZSZBSGMYQMOG-AOOOYVTPSA-N 1 0 209.293 -0.275 20 30 BBEDRO C=CCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970268 372708253 /nfs/dbraw/zinc/70/82/53/372708253.db2.gz WKIXLZQEUGUMFV-IUCAKERBSA-N 1 0 216.306 -0.062 20 30 BBEDRO C=CCN(C)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632239573 372821015 /nfs/dbraw/zinc/82/10/15/372821015.db2.gz SSONWRZCWFYIKA-JTQLQIEISA-N 1 0 248.348 -0.235 20 30 BBEDRO C=CCN(C)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632239574 372820417 /nfs/dbraw/zinc/82/04/17/372820417.db2.gz SSONWRZCWFYIKA-SNVBAGLBSA-N 1 0 248.348 -0.235 20 30 BBEDRO C=C(C)CS(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000632349749 372891119 /nfs/dbraw/zinc/89/11/19/372891119.db2.gz HOOMXHWAEAINEJ-UWVGGRQHSA-N 1 0 248.348 -0.501 20 30 BBEDRO CC[NH+](CC)CCS(=O)(=O)NCC#CCO ZINC000632515872 372984149 /nfs/dbraw/zinc/98/41/49/372984149.db2.gz MDGUNSCDEXEWTO-UHFFFAOYSA-N 1 0 248.348 -0.757 20 30 BBEDRO C=C[C@H](CO)NS(=O)(=O)CCC[NH+](C)C ZINC000632573334 373011920 /nfs/dbraw/zinc/01/19/20/373011920.db2.gz XHWHUJGRLNZAQJ-SECBINFHSA-N 1 0 236.337 -0.596 20 30 BBEDRO CC[C@@H]1[C@@H](C(=O)NCC#CCO)CC[N@@H+]1C ZINC000632905850 373214380 /nfs/dbraw/zinc/21/43/80/373214380.db2.gz KCLAJINUFKNWLB-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633076536 373285183 /nfs/dbraw/zinc/28/51/83/373285183.db2.gz WNDLGPUZLKSOEG-QWRGUYRKSA-N 1 0 249.314 -0.240 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633078377 373287507 /nfs/dbraw/zinc/28/75/07/373287507.db2.gz KJYXXLPNNNAGOK-NXEZZACHSA-N 1 0 239.319 -0.316 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633078515 373287055 /nfs/dbraw/zinc/28/70/55/373287055.db2.gz LLNNJOTYILYEBM-IUCAKERBSA-N 1 0 223.276 -0.797 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633078779 373287174 /nfs/dbraw/zinc/28/71/74/373287174.db2.gz OULPLHAVGYKPRU-AOOOYVTPSA-N 1 0 237.303 -0.406 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633098135 373294196 /nfs/dbraw/zinc/29/41/96/373294196.db2.gz KUBUHKJZTIAQGM-UWVGGRQHSA-N 1 0 237.303 -0.406 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000633116451 373296068 /nfs/dbraw/zinc/29/60/68/373296068.db2.gz UDQYAOUIJBDEFZ-BDAKNGLRSA-N 1 0 225.292 -0.421 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000633116452 373295421 /nfs/dbraw/zinc/29/54/21/373295421.db2.gz UDQYAOUIJBDEFZ-DTWKUNHWSA-N 1 0 225.292 -0.421 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000633116453 373295872 /nfs/dbraw/zinc/29/58/72/373295872.db2.gz UDQYAOUIJBDEFZ-IUCAKERBSA-N 1 0 225.292 -0.421 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000633116454 373295166 /nfs/dbraw/zinc/29/51/66/373295166.db2.gz UDQYAOUIJBDEFZ-RKDXNWHRSA-N 1 0 225.292 -0.421 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000633139944 373304289 /nfs/dbraw/zinc/30/42/89/373304289.db2.gz ITLILHBZYRKTIP-NXEZZACHSA-N 1 0 239.319 -0.031 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000633139945 373304547 /nfs/dbraw/zinc/30/45/47/373304547.db2.gz ITLILHBZYRKTIP-UWVGGRQHSA-N 1 0 239.319 -0.031 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000633139946 373304279 /nfs/dbraw/zinc/30/42/79/373304279.db2.gz ITLILHBZYRKTIP-VHSXEESVSA-N 1 0 239.319 -0.031 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000633139947 373304077 /nfs/dbraw/zinc/30/40/77/373304077.db2.gz ITLILHBZYRKTIP-ZJUUUORDSA-N 1 0 239.319 -0.031 20 30 BBEDRO C[C@](O)(C[C@@H](O)C[NH2+]CC#CCO)C1CC1 ZINC000634721277 343726796 /nfs/dbraw/zinc/72/67/96/343726796.db2.gz WGUKWTGSNNYQTC-NEPJUHHUSA-N 1 0 227.304 -0.516 20 30 BBEDRO C[C@@](O)(C[C@H](O)C[NH2+]CC#CCO)C1CC1 ZINC000634721278 343726879 /nfs/dbraw/zinc/72/68/79/343726879.db2.gz WGUKWTGSNNYQTC-NWDGAFQWSA-N 1 0 227.304 -0.516 20 30 BBEDRO C[C@](O)(C[C@H](O)C[NH2+]CC#CCO)C1CC1 ZINC000634721279 343726915 /nfs/dbraw/zinc/72/69/15/343726915.db2.gz WGUKWTGSNNYQTC-RYUDHWBXSA-N 1 0 227.304 -0.516 20 30 BBEDRO C[C@@](O)(C[C@@H](O)C[NH2+]CC#CCO)C1CC1 ZINC000634721280 343726831 /nfs/dbraw/zinc/72/68/31/343726831.db2.gz WGUKWTGSNNYQTC-VXGBXAGGSA-N 1 0 227.304 -0.516 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634782221 344324353 /nfs/dbraw/zinc/32/43/53/344324353.db2.gz FRSVBPJOPYEHBP-AOOOYVTPSA-N 1 0 210.277 -0.133 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635775645 346061625 /nfs/dbraw/zinc/06/16/25/346061625.db2.gz GEOQCXPYXUVNCX-JTQLQIEISA-N 1 0 239.319 -0.253 20 30 BBEDRO C=CCNC(=O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635775649 346061875 /nfs/dbraw/zinc/06/18/75/346061875.db2.gz GEOQCXPYXUVNCX-SNVBAGLBSA-N 1 0 239.319 -0.253 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000635775671 346061811 /nfs/dbraw/zinc/06/18/11/346061811.db2.gz GMMOJQVQQNQEKW-MRVPVSSYSA-N 1 0 213.281 -0.645 20 30 BBEDRO C=CCNC(=O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635775785 346061662 /nfs/dbraw/zinc/06/16/62/346061662.db2.gz HKDRFHPUNNOLPH-UHFFFAOYSA-N 1 0 239.319 -0.253 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000635796378 346065543 /nfs/dbraw/zinc/06/55/43/346065543.db2.gz LOKZJMAGBZSZOO-BDAKNGLRSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=CC[C@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000635796379 346065576 /nfs/dbraw/zinc/06/55/76/346065576.db2.gz LOKZJMAGBZSZOO-RKDXNWHRSA-N 1 0 200.282 -0.010 20 30 BBEDRO C[N@@H+]1CC[C@@H](CC(=O)NCC#CCO)C1 ZINC000635900506 346106099 /nfs/dbraw/zinc/10/60/99/346106099.db2.gz KKNQNZGCAWYGLA-JTQLQIEISA-N 1 0 210.277 -0.560 20 30 BBEDRO C[N@@H+]1CC[C@H](CC(=O)NCC#CCO)C1 ZINC000635900507 346105974 /nfs/dbraw/zinc/10/59/74/346105974.db2.gz KKNQNZGCAWYGLA-SNVBAGLBSA-N 1 0 210.277 -0.560 20 30 BBEDRO C[NH+](C)CC1(C(=O)NCC#CCO)CC1 ZINC000635900616 346106559 /nfs/dbraw/zinc/10/65/59/346106559.db2.gz OLAJQVPENJLJDH-UHFFFAOYSA-N 1 0 210.277 -0.560 20 30 BBEDRO O=C(NCC#CCO)C12CCC[NH+](CCC1)C2 ZINC000635900697 346106573 /nfs/dbraw/zinc/10/65/73/346106573.db2.gz RBUTXHUSIVHJPR-UHFFFAOYSA-N 1 0 236.315 -0.026 20 30 BBEDRO C[N@@H+]1CCCC[C@H]1C(=O)NCC#CCO ZINC000635900699 346106518 /nfs/dbraw/zinc/10/65/18/346106518.db2.gz RDVXDQQZLPKUAR-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO CC#CC[C@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000636114287 346322853 /nfs/dbraw/zinc/32/28/53/346322853.db2.gz YYHAFWAOGRHPEO-NXEZZACHSA-N 1 0 212.293 -0.173 20 30 BBEDRO CC#CC[C@@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000636114290 346322771 /nfs/dbraw/zinc/32/27/71/346322771.db2.gz YYHAFWAOGRHPEO-ZJUUUORDSA-N 1 0 212.293 -0.173 20 30 BBEDRO C=C[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636228714 346361810 /nfs/dbraw/zinc/36/18/10/346361810.db2.gz GOAHXDAPZMIIPX-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636228715 346361955 /nfs/dbraw/zinc/36/19/55/346361955.db2.gz GOAHXDAPZMIIPX-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000636230133 346362696 /nfs/dbraw/zinc/36/26/96/346362696.db2.gz ZEXJSJICBHQSGD-SECBINFHSA-N 1 0 212.293 -0.009 20 30 BBEDRO CC#CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637058428 350169607 /nfs/dbraw/zinc/16/96/07/350169607.db2.gz KHJDPRMMZNPOSA-LLVKDONJSA-N 1 0 239.319 -0.234 20 30 BBEDRO CC#CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637058429 350169829 /nfs/dbraw/zinc/16/98/29/350169829.db2.gz KHJDPRMMZNPOSA-NSHDSACASA-N 1 0 239.319 -0.234 20 30 BBEDRO C=CCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637265825 350362839 /nfs/dbraw/zinc/36/28/39/350362839.db2.gz FDGYVDOGURWVDO-JTQLQIEISA-N 1 0 227.308 -0.072 20 30 BBEDRO C=CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637265839 350363276 /nfs/dbraw/zinc/36/32/76/350363276.db2.gz FDGYVDOGURWVDO-SNVBAGLBSA-N 1 0 227.308 -0.072 20 30 BBEDRO C=CCNC(=O)CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638280465 352116192 /nfs/dbraw/zinc/11/61/92/352116192.db2.gz AZNLJEBZLGYGOM-SECBINFHSA-N 1 0 223.276 -0.548 20 30 BBEDRO C=CCNC(=O)CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638280466 352116366 /nfs/dbraw/zinc/11/63/66/352116366.db2.gz AZNLJEBZLGYGOM-VIFPVBQESA-N 1 0 223.276 -0.548 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H](C)[NH2+]CC ZINC000638283317 352118859 /nfs/dbraw/zinc/11/88/59/352118859.db2.gz WLJFPLOJVFUMPO-MRVPVSSYSA-N 1 0 213.281 -0.597 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H](C)[NH2+]CC ZINC000638283318 352118651 /nfs/dbraw/zinc/11/86/51/352118651.db2.gz WLJFPLOJVFUMPO-QMMMGPOBSA-N 1 0 213.281 -0.597 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1OCC[C@H]1[NH3+] ZINC000638363246 352173130 /nfs/dbraw/zinc/17/31/30/352173130.db2.gz QSZUSGPHQRBRAM-VLEAKVRGSA-N 1 0 240.303 -0.190 20 30 BBEDRO C=CCOCCCNC(=O)CN1CC[NH2+]CC1 ZINC000638414765 352224509 /nfs/dbraw/zinc/22/45/09/352224509.db2.gz IMGODSVZRJIKSJ-UHFFFAOYSA-N 1 0 241.335 -0.400 20 30 BBEDRO C=CCOCCCNC(=O)[C@H]1OCC[C@H]1[NH3+] ZINC000638415813 352223398 /nfs/dbraw/zinc/22/33/98/352223398.db2.gz QIWVROHFNCTZPH-ZJUUUORDSA-N 1 0 228.292 -0.189 20 30 BBEDRO C=CCOCCNC(=O)[C@H]1OCC[C@H]1[NH3+] ZINC000638423804 352231000 /nfs/dbraw/zinc/23/10/00/352231000.db2.gz FAAFDOYEJYBFHP-BDAKNGLRSA-N 1 0 214.265 -0.579 20 30 BBEDRO C=CCOCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638423981 352231525 /nfs/dbraw/zinc/23/15/25/352231525.db2.gz HBKQLKXILBTDKW-LLVKDONJSA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638423988 352231196 /nfs/dbraw/zinc/23/11/96/352231196.db2.gz HBKQLKXILBTDKW-NSHDSACASA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638425714 352232959 /nfs/dbraw/zinc/23/29/59/352232959.db2.gz RDLJCCARYQLZSX-UHFFFAOYSA-N 1 0 236.275 -0.132 20 30 BBEDRO C=CC(C)(C)CCNC(=O)CNC(=O)C[NH3+] ZINC000638454235 352267392 /nfs/dbraw/zinc/26/73/92/352267392.db2.gz DQQJDPRULLLALG-UHFFFAOYSA-N 1 0 227.308 -0.220 20 30 BBEDRO C=CC[C@@H]1CCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000638471661 352280500 /nfs/dbraw/zinc/28/05/00/352280500.db2.gz KLNBATLFERFKBZ-SECBINFHSA-N 1 0 225.292 -0.514 20 30 BBEDRO C=CC[C@H]1CCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000638471669 352280511 /nfs/dbraw/zinc/28/05/11/352280511.db2.gz KLNBATLFERFKBZ-VIFPVBQESA-N 1 0 225.292 -0.514 20 30 BBEDRO C=CCn1cc(C(=O)N(CC)CC[NH3+])nn1 ZINC000638516211 352343755 /nfs/dbraw/zinc/34/37/55/352343755.db2.gz OKTYHYGKZBWUQG-UHFFFAOYSA-N 1 0 223.280 -0.115 20 30 BBEDRO C=CCOCC(=O)NCC1([NH3+])CCOCC1 ZINC000638537907 398120520 /nfs/dbraw/zinc/12/05/20/398120520.db2.gz VNKNCDUONCAIMG-UHFFFAOYSA-N 1 0 228.292 -0.187 20 30 BBEDRO C=CCOCC(=O)NCCOCC[NH2+]C ZINC000638580759 352411501 /nfs/dbraw/zinc/41/15/01/352411501.db2.gz VFGSUFQVJXHKOU-UHFFFAOYSA-N 1 0 216.281 -0.459 20 30 BBEDRO C=CCOCC(=O)N(C)CCOCC[NH2+]C ZINC000638588087 386058166 /nfs/dbraw/zinc/05/81/66/386058166.db2.gz UTOMBCRSWLOZBK-UHFFFAOYSA-N 1 0 230.308 -0.117 20 30 BBEDRO C=CCCOCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638620742 352459562 /nfs/dbraw/zinc/45/95/62/352459562.db2.gz SIGCQTXLMXFOBX-JTQLQIEISA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCCOCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638620743 352459715 /nfs/dbraw/zinc/45/97/15/352459715.db2.gz SIGCQTXLMXFOBX-SNVBAGLBSA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638621555 352459843 /nfs/dbraw/zinc/45/98/43/352459843.db2.gz QCRSZYYUJWNETE-SECBINFHSA-N 1 0 214.265 -0.706 20 30 BBEDRO C=CCOCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638621556 352460083 /nfs/dbraw/zinc/46/00/83/352460083.db2.gz QCRSZYYUJWNETE-VIFPVBQESA-N 1 0 214.265 -0.706 20 30 BBEDRO C=CCOCC(=O)NC1(C[NH3+])CCOCC1 ZINC000638634451 352477361 /nfs/dbraw/zinc/47/73/61/352477361.db2.gz HDQQSDPLEZJMDY-UHFFFAOYSA-N 1 0 228.292 -0.187 20 30 BBEDRO C=CCOCC(=O)NCCOCCC[NH3+] ZINC000638659445 352504188 /nfs/dbraw/zinc/50/41/88/352504188.db2.gz DFAIJBAYJJDIKB-UHFFFAOYSA-N 1 0 216.281 -0.329 20 30 BBEDRO C=CCOCC(=O)N(C)CCOCC[NH3+] ZINC000638677476 352516708 /nfs/dbraw/zinc/51/67/08/352516708.db2.gz AVISNDUZFKHLKH-UHFFFAOYSA-N 1 0 216.281 -0.377 20 30 BBEDRO C=C(C)COCC[NH2+]Cc1cnc(N)nc1N ZINC000638758167 352692924 /nfs/dbraw/zinc/69/29/24/352692924.db2.gz VDRWBEAPSMCVLW-UHFFFAOYSA-N 1 0 237.307 -0.016 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H]2CC[NH2+][C@H]2C)nn1 ZINC000638764667 352703228 /nfs/dbraw/zinc/70/32/28/352703228.db2.gz FRCCIFQSBIWGSD-DTWKUNHWSA-N 1 0 235.291 -0.056 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H]2CC[NH2+]C2)nn1 ZINC000638791153 398191389 /nfs/dbraw/zinc/19/13/89/398191389.db2.gz AAXBHNVCSMSAGO-MRVPVSSYSA-N 1 0 221.264 -0.444 20 30 BBEDRO C=CCCOCC[NH2+]Cc1cnc(N)nc1N ZINC000638812161 352990889 /nfs/dbraw/zinc/99/08/89/352990889.db2.gz SDLCMLWUYSIALT-UHFFFAOYSA-N 1 0 237.307 -0.016 20 30 BBEDRO C=CCNC(=O)C[NH2+]C[C@]1(OC)CCOC1 ZINC000638847168 353026914 /nfs/dbraw/zinc/02/69/14/353026914.db2.gz MSXRYIUNBLMURG-LLVKDONJSA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCNC(=O)C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638847169 353027247 /nfs/dbraw/zinc/02/72/47/353027247.db2.gz MSXRYIUNBLMURG-NSHDSACASA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCNC(=O)C[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000638847560 353027879 /nfs/dbraw/zinc/02/78/79/353027879.db2.gz SOYCKAUSXOOXNQ-GHMZBOCLSA-N 1 0 242.319 -0.070 20 30 BBEDRO C=CCNC(=O)C[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000638847561 353027673 /nfs/dbraw/zinc/02/76/73/353027673.db2.gz SOYCKAUSXOOXNQ-MNOVXSKESA-N 1 0 242.319 -0.070 20 30 BBEDRO C=CCNC(=O)C[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000638847563 353027870 /nfs/dbraw/zinc/02/78/70/353027870.db2.gz SOYCKAUSXOOXNQ-QWRGUYRKSA-N 1 0 242.319 -0.070 20 30 BBEDRO C=CCNC(=O)C[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000638847565 353027732 /nfs/dbraw/zinc/02/77/32/353027732.db2.gz SOYCKAUSXOOXNQ-WDEREUQCSA-N 1 0 242.319 -0.070 20 30 BBEDRO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)nn1 ZINC000638914425 353072703 /nfs/dbraw/zinc/07/27/03/353072703.db2.gz DVQSHFQMBKOOIV-IUCAKERBSA-N 1 0 233.275 -0.350 20 30 BBEDRO C=CCOCC[NH2+]Cc1cnc(N)nc1N ZINC000638967457 353175093 /nfs/dbraw/zinc/17/50/93/353175093.db2.gz BTURDIGILBZNRI-UHFFFAOYSA-N 1 0 223.280 -0.406 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(N)nc1N ZINC000639242855 355229753 /nfs/dbraw/zinc/22/97/53/355229753.db2.gz COXFZVRRZRLCTM-BDAKNGLRSA-N 1 0 235.291 -0.265 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(N)nc1N ZINC000639275273 355351328 /nfs/dbraw/zinc/35/13/28/355351328.db2.gz OSDNNCJKPLKXFV-WPRPVWTQSA-N 1 0 249.318 -0.018 20 30 BBEDRO C=CCOCCC[NH2+]Cc1cnc(N)nc1N ZINC000639318490 355711657 /nfs/dbraw/zinc/71/16/57/355711657.db2.gz ZPRHIFXEGWPREP-UHFFFAOYSA-N 1 0 237.307 -0.016 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCS(N)(=O)=O ZINC000639663579 356577875 /nfs/dbraw/zinc/57/78/75/356577875.db2.gz DIMQXTCFISYFAN-BDAKNGLRSA-N 1 0 234.321 -0.402 20 30 BBEDRO COCC#CC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639782353 356732342 /nfs/dbraw/zinc/73/23/42/356732342.db2.gz QHHKSJVDUWVLCQ-GHMZBOCLSA-N 1 0 213.277 -0.546 20 30 BBEDRO C=CCCC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639838903 356832844 /nfs/dbraw/zinc/83/28/44/356832844.db2.gz DWLDPVOWSNMHBH-DTORHVGOSA-N 1 0 225.292 -0.529 20 30 BBEDRO C=CCCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639838904 356832811 /nfs/dbraw/zinc/83/28/11/356832811.db2.gz DWLDPVOWSNMHBH-IUCAKERBSA-N 1 0 225.292 -0.529 20 30 BBEDRO C=CCCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639838905 356832946 /nfs/dbraw/zinc/83/29/46/356832946.db2.gz DWLDPVOWSNMHBH-RKDXNWHRSA-N 1 0 225.292 -0.529 20 30 BBEDRO C=C(C)CC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843410 356839239 /nfs/dbraw/zinc/83/92/39/356839239.db2.gz FPEWTKSLZQHPIN-DTORHVGOSA-N 1 0 225.292 -0.529 20 30 BBEDRO C=C(C)CC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843412 356839283 /nfs/dbraw/zinc/83/92/83/356839283.db2.gz FPEWTKSLZQHPIN-IUCAKERBSA-N 1 0 225.292 -0.529 20 30 BBEDRO C=C(C)CC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843413 356839384 /nfs/dbraw/zinc/83/93/84/356839384.db2.gz FPEWTKSLZQHPIN-RKDXNWHRSA-N 1 0 225.292 -0.529 20 30 BBEDRO C=C(C)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639844949 356841208 /nfs/dbraw/zinc/84/12/08/356841208.db2.gz JWSHLJANVGLFEO-HTQZYQBOSA-N 1 0 211.265 -0.919 20 30 BBEDRO C=C(C)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639844956 356841124 /nfs/dbraw/zinc/84/11/24/356841124.db2.gz JWSHLJANVGLFEO-OCAPTIKFSA-N 1 0 211.265 -0.919 20 30 BBEDRO C=C(C)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639844958 356841130 /nfs/dbraw/zinc/84/11/30/356841130.db2.gz JWSHLJANVGLFEO-YUMQZZPRSA-N 1 0 211.265 -0.919 20 30 BBEDRO C=CCCCC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639846283 356844200 /nfs/dbraw/zinc/84/42/00/356844200.db2.gz OHNHMUACWACQIN-AOOOYVTPSA-N 1 0 239.319 -0.139 20 30 BBEDRO C=CCCCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639846285 356844480 /nfs/dbraw/zinc/84/44/80/356844480.db2.gz OHNHMUACWACQIN-NXEZZACHSA-N 1 0 239.319 -0.139 20 30 BBEDRO C=CCCCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639846286 356844334 /nfs/dbraw/zinc/84/43/34/356844334.db2.gz OHNHMUACWACQIN-UWVGGRQHSA-N 1 0 239.319 -0.139 20 30 BBEDRO C=C(CC)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639846322 356844606 /nfs/dbraw/zinc/84/46/06/356844606.db2.gz OTDWWPKPQWJKLO-DTORHVGOSA-N 1 0 225.292 -0.529 20 30 BBEDRO C=C(CC)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639846323 356844170 /nfs/dbraw/zinc/84/41/70/356844170.db2.gz OTDWWPKPQWJKLO-IUCAKERBSA-N 1 0 225.292 -0.529 20 30 BBEDRO C=C(CC)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639846324 356844018 /nfs/dbraw/zinc/84/40/18/356844018.db2.gz OTDWWPKPQWJKLO-RKDXNWHRSA-N 1 0 225.292 -0.529 20 30 BBEDRO C=CCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639847640 356844581 /nfs/dbraw/zinc/84/45/81/356844581.db2.gz UWWQTJXAMRYDCP-HTQZYQBOSA-N 1 0 211.265 -0.919 20 30 BBEDRO C=CCC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639847642 356844602 /nfs/dbraw/zinc/84/46/02/356844602.db2.gz UWWQTJXAMRYDCP-OCAPTIKFSA-N 1 0 211.265 -0.919 20 30 BBEDRO C=CCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639847644 356844087 /nfs/dbraw/zinc/84/40/87/356844087.db2.gz UWWQTJXAMRYDCP-YUMQZZPRSA-N 1 0 211.265 -0.919 20 30 BBEDRO CCC#C[C@@H](C)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639848115 356845291 /nfs/dbraw/zinc/84/52/91/356845291.db2.gz XKUIFDAZNLZIMD-BBBLOLIVSA-N 1 0 237.303 -0.693 20 30 BBEDRO CCC#C[C@H](C)[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639848118 356845178 /nfs/dbraw/zinc/84/51/78/356845178.db2.gz XKUIFDAZNLZIMD-GUBZILKMSA-N 1 0 237.303 -0.693 20 30 BBEDRO CCC#C[C@H](C)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639848120 356845203 /nfs/dbraw/zinc/84/52/03/356845203.db2.gz XKUIFDAZNLZIMD-IVZWLZJFSA-N 1 0 237.303 -0.693 20 30 BBEDRO CCC#C[C@H](C)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639848123 356845405 /nfs/dbraw/zinc/84/54/05/356845405.db2.gz XKUIFDAZNLZIMD-LPEHRKFASA-N 1 0 237.303 -0.693 20 30 BBEDRO COCC#CC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639849016 356844031 /nfs/dbraw/zinc/84/40/31/356844031.db2.gz LHXQWCCTQYQLPU-GHMZBOCLSA-N 1 0 213.277 -0.546 20 30 BBEDRO COCC#CC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639849017 356844007 /nfs/dbraw/zinc/84/40/07/356844007.db2.gz LHXQWCCTQYQLPU-MNOVXSKESA-N 1 0 213.277 -0.546 20 30 BBEDRO COCC#CC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639849018 356844120 /nfs/dbraw/zinc/84/41/20/356844120.db2.gz LHXQWCCTQYQLPU-QWRGUYRKSA-N 1 0 213.277 -0.546 20 30 BBEDRO COCC#CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639849019 356844272 /nfs/dbraw/zinc/84/42/72/356844272.db2.gz LHXQWCCTQYQLPU-WDEREUQCSA-N 1 0 213.277 -0.546 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639855536 356860682 /nfs/dbraw/zinc/86/06/82/356860682.db2.gz MZUNASBJHHEBTI-GXSJLCMTSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639855539 356860633 /nfs/dbraw/zinc/86/06/33/356860633.db2.gz MZUNASBJHHEBTI-KOLCDFICSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639855540 356860472 /nfs/dbraw/zinc/86/04/72/356860472.db2.gz MZUNASBJHHEBTI-MWLCHTKSSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639855541 356860216 /nfs/dbraw/zinc/86/02/16/356860216.db2.gz MZUNASBJHHEBTI-ONGXEEELSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCc2ncnn21 ZINC000639864483 356901686 /nfs/dbraw/zinc/90/16/86/356901686.db2.gz HIVLWKTXOGTRRW-BDAKNGLRSA-N 1 0 208.265 -0.098 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC000639864485 356901602 /nfs/dbraw/zinc/90/16/02/356901602.db2.gz HIVLWKTXOGTRRW-RKDXNWHRSA-N 1 0 208.265 -0.098 20 30 BBEDRO C=CCOCC[N@H+]1CCN(C)C[C@@H]1CO ZINC000639867599 356996916 /nfs/dbraw/zinc/99/69/16/356996916.db2.gz NWKGXWYBVOOAER-LLVKDONJSA-N 1 0 214.309 -0.203 20 30 BBEDRO C=CCOCC[N@H+]1CCN(C)C[C@H]1CO ZINC000639867600 356996302 /nfs/dbraw/zinc/99/63/02/356996302.db2.gz NWKGXWYBVOOAER-NSHDSACASA-N 1 0 214.309 -0.203 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639870887 357030736 /nfs/dbraw/zinc/03/07/36/357030736.db2.gz KIBIONJQOKXMSA-NEPJUHHUSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CCN(C)C[C@H]1CO ZINC000639870888 357030631 /nfs/dbraw/zinc/03/06/31/357030631.db2.gz KIBIONJQOKXMSA-NWDGAFQWSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CCN(C)C[C@H]1CO ZINC000639870889 357030481 /nfs/dbraw/zinc/03/04/81/357030481.db2.gz KIBIONJQOKXMSA-RYUDHWBXSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639870890 357030547 /nfs/dbraw/zinc/03/05/47/357030547.db2.gz KIBIONJQOKXMSA-VXGBXAGGSA-N 1 0 228.336 -0.078 20 30 BBEDRO COCC#CCN1CC[N@H+](C)C[C@@H]1CO ZINC000639873221 357046367 /nfs/dbraw/zinc/04/63/67/357046367.db2.gz WBFQDRUVPSRZKA-LLVKDONJSA-N 1 0 212.293 -0.756 20 30 BBEDRO COCC#CCN1CC[N@H+](C)C[C@H]1CO ZINC000639873227 357045934 /nfs/dbraw/zinc/04/59/34/357045934.db2.gz WBFQDRUVPSRZKA-NSHDSACASA-N 1 0 212.293 -0.756 20 30 BBEDRO CC#CC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639944231 357964258 /nfs/dbraw/zinc/96/42/58/357964258.db2.gz KKWIFHOVAAPJTJ-RYUDHWBXSA-N 1 0 220.272 -0.006 20 30 BBEDRO CC#CC[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639944234 357964161 /nfs/dbraw/zinc/96/41/61/357964161.db2.gz KKWIFHOVAAPJTJ-TXEJJXNPSA-N 1 0 220.272 -0.006 20 30 BBEDRO CC#CC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639944377 357964695 /nfs/dbraw/zinc/96/46/95/357964695.db2.gz KKWIFHOVAAPJTJ-VXGBXAGGSA-N 1 0 220.272 -0.006 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@](C)(CO)COC ZINC000639952767 357974748 /nfs/dbraw/zinc/97/47/48/357974748.db2.gz SGOODXZEGDXZKZ-JTQLQIEISA-N 1 0 216.281 -0.724 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@](C)(CO)COC ZINC000639952768 357975072 /nfs/dbraw/zinc/97/50/72/357975072.db2.gz SGOODXZEGDXZKZ-SNVBAGLBSA-N 1 0 216.281 -0.724 20 30 BBEDRO COCC#CC[NH2+][C@@](C)(CO)COC ZINC000639957508 357981769 /nfs/dbraw/zinc/98/17/69/357981769.db2.gz PGZUTUAXWZOWBE-JTQLQIEISA-N 1 0 201.266 -0.377 20 30 BBEDRO COCC#CC[NH2+][C@](C)(CO)COC ZINC000639957509 357981644 /nfs/dbraw/zinc/98/16/44/357981644.db2.gz PGZUTUAXWZOWBE-SNVBAGLBSA-N 1 0 201.266 -0.377 20 30 BBEDRO C=CCN1CC[C@H]([NH2+][C@](C)(CO)COC)C1=O ZINC000639958125 357982960 /nfs/dbraw/zinc/98/29/60/357982960.db2.gz PPIQTWRJVOUEAY-CMPLNLGQSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCN1CC[C@H]([NH2+][C@@](C)(CO)COC)C1=O ZINC000639958126 357982788 /nfs/dbraw/zinc/98/27/88/357982788.db2.gz PPIQTWRJVOUEAY-JQWIXIFHSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCN1CC[C@@H]([NH2+][C@@](C)(CO)COC)C1=O ZINC000639958127 357982711 /nfs/dbraw/zinc/98/27/11/357982711.db2.gz PPIQTWRJVOUEAY-PWSUYJOCSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCN1CC[C@@H]([NH2+][C@](C)(CO)COC)C1=O ZINC000639958128 357982704 /nfs/dbraw/zinc/98/27/04/357982704.db2.gz PPIQTWRJVOUEAY-ZYHUDNBSSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640010958 358067469 /nfs/dbraw/zinc/06/74/69/358067469.db2.gz UXKFALIMHFCWRC-CMPLNLGQSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640010959 358067460 /nfs/dbraw/zinc/06/74/60/358067460.db2.gz UXKFALIMHFCWRC-JQWIXIFHSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640010960 358067668 /nfs/dbraw/zinc/06/76/68/358067668.db2.gz UXKFALIMHFCWRC-PWSUYJOCSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000640010961 358067451 /nfs/dbraw/zinc/06/74/51/358067451.db2.gz UXKFALIMHFCWRC-ZYHUDNBSSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=CCOCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000640322407 360662621 /nfs/dbraw/zinc/66/26/21/360662621.db2.gz DRWQVCCNIUXGFV-LLVKDONJSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=CCOCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000640322412 360662600 /nfs/dbraw/zinc/66/26/00/360662600.db2.gz DRWQVCCNIUXGFV-NSHDSACASA-N 1 0 242.319 -0.238 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640479403 361260070 /nfs/dbraw/zinc/26/00/70/361260070.db2.gz RMGQKYCYKUAPQG-IQJOONFLSA-N 1 0 210.277 -0.256 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640479405 361259959 /nfs/dbraw/zinc/25/99/59/361259959.db2.gz RMGQKYCYKUAPQG-QXEWZRGKSA-N 1 0 210.277 -0.256 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H]3C[C@@]3(O)C2)C1=O ZINC000640485290 361277799 /nfs/dbraw/zinc/27/77/99/361277799.db2.gz HHPMOUHCPZYLQW-JFGNBEQYSA-N 1 0 222.288 -0.160 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@]3(O)C2)C1=O ZINC000640485292 361277983 /nfs/dbraw/zinc/27/79/83/361277983.db2.gz HHPMOUHCPZYLQW-NHCYSSNCSA-N 1 0 222.288 -0.160 20 30 BBEDRO C=CCN(CC=C)C(=O)Cn1cc(CC[NH3+])nn1 ZINC000640791859 362040219 /nfs/dbraw/zinc/04/02/19/362040219.db2.gz MYOBQBMTTZVIPM-UHFFFAOYSA-N 1 0 249.318 -0.020 20 30 BBEDRO C=CCNC(=O)[C@@H](C)n1cc(C[NH2+]C)nn1 ZINC000640886456 362068873 /nfs/dbraw/zinc/06/88/73/362068873.db2.gz POORXTKAHMBVAL-MRVPVSSYSA-N 1 0 223.280 -0.139 20 30 BBEDRO C=CCNC(=O)[C@H](C)n1cc(C[NH2+]C)nn1 ZINC000640886461 362069106 /nfs/dbraw/zinc/06/91/06/362069106.db2.gz POORXTKAHMBVAL-QMMMGPOBSA-N 1 0 223.280 -0.139 20 30 BBEDRO C=CCOCCn1cc(COCC[NH3+])nn1 ZINC000641029533 362143783 /nfs/dbraw/zinc/14/37/83/362143783.db2.gz IDHSMVWFOMROIT-UHFFFAOYSA-N 1 0 226.280 -0.044 20 30 BBEDRO C=CCOCCn1cc(C[C@H]([NH3+])COC)nn1 ZINC000641030411 362144763 /nfs/dbraw/zinc/14/47/63/362144763.db2.gz YFINPTZIXYNAJS-JTQLQIEISA-N 1 0 240.307 -0.003 20 30 BBEDRO C=CCOCCn1cc(C[C@@H]([NH3+])COC)nn1 ZINC000641030412 362144862 /nfs/dbraw/zinc/14/48/62/362144862.db2.gz YFINPTZIXYNAJS-SNVBAGLBSA-N 1 0 240.307 -0.003 20 30 BBEDRO C=CCN1CC[C@H](n2cc(C[NH2+]C)nn2)C1=O ZINC000641110254 362227915 /nfs/dbraw/zinc/22/79/15/362227915.db2.gz YWNAWPYFNMDSCC-JTQLQIEISA-N 1 0 235.291 -0.043 20 30 BBEDRO C=CCN1CC[C@@H](n2cc(C[NH2+]C)nn2)C1=O ZINC000641110255 362228292 /nfs/dbraw/zinc/22/82/92/362228292.db2.gz YWNAWPYFNMDSCC-SNVBAGLBSA-N 1 0 235.291 -0.043 20 30 BBEDRO CC#CC[C@H](CO)NCc1cn(C)nn1 ZINC000641768624 362706642 /nfs/dbraw/zinc/70/66/42/362706642.db2.gz DNIYCNWZLNMGAC-SECBINFHSA-N 1 0 208.265 -0.321 20 30 BBEDRO CC#CC[C@@H](CO)NCc1cn(C)nn1 ZINC000641768625 362706827 /nfs/dbraw/zinc/70/68/27/362706827.db2.gz DNIYCNWZLNMGAC-VIFPVBQESA-N 1 0 208.265 -0.321 20 30 BBEDRO CC#CC[C@H](CO)[NH2+]Cc1cnnn1C ZINC000641769727 362703781 /nfs/dbraw/zinc/70/37/81/362703781.db2.gz YYLQZMGRGCOISD-SECBINFHSA-N 1 0 208.265 -0.321 20 30 BBEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC000641769728 362704650 /nfs/dbraw/zinc/70/46/50/362704650.db2.gz YYLQZMGRGCOISD-VIFPVBQESA-N 1 0 208.265 -0.321 20 30 BBEDRO C=CCCCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642359066 363846135 /nfs/dbraw/zinc/84/61/35/363846135.db2.gz WNZWANBEHUVDHF-UHFFFAOYSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCCCCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642909161 384150579 /nfs/dbraw/zinc/15/05/79/384150579.db2.gz HMASODFGOXXWDL-SECBINFHSA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CCCCCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642909162 384150427 /nfs/dbraw/zinc/15/04/27/384150427.db2.gz HMASODFGOXXWDL-VIFPVBQESA-N 1 0 227.308 -0.078 20 30 BBEDRO C=C[C@@H](C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000644007400 385368896 /nfs/dbraw/zinc/36/88/96/385368896.db2.gz XARFPWGUAYWASI-MRVPVSSYSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=C[C@H](C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000644007401 385369297 /nfs/dbraw/zinc/36/92/97/385369297.db2.gz XARFPWGUAYWASI-QMMMGPOBSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CCCOCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000644160746 384233619 /nfs/dbraw/zinc/23/36/19/384233619.db2.gz BPWXJNWUVITEQD-JTQLQIEISA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCCOCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000644160747 384233970 /nfs/dbraw/zinc/23/39/70/384233970.db2.gz BPWXJNWUVITEQD-SNVBAGLBSA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000644161108 384235026 /nfs/dbraw/zinc/23/50/26/384235026.db2.gz LTOWPYJIHFGAHG-SECBINFHSA-N 1 0 214.265 -0.706 20 30 BBEDRO C=CCOCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000644161109 384234131 /nfs/dbraw/zinc/23/41/31/384234131.db2.gz LTOWPYJIHFGAHG-VIFPVBQESA-N 1 0 214.265 -0.706 20 30 BBEDRO C=CCn1cc(CNC(=O)NC[C@@H](C)[NH3+])nn1 ZINC000644199036 384756171 /nfs/dbraw/zinc/75/61/71/384756171.db2.gz SZYPMDLTJLYWRP-MRVPVSSYSA-N 1 0 238.295 -0.390 20 30 BBEDRO C=CCn1cc(CNC(=O)NC[C@H](C)[NH3+])nn1 ZINC000644199037 384755631 /nfs/dbraw/zinc/75/56/31/384755631.db2.gz SZYPMDLTJLYWRP-QMMMGPOBSA-N 1 0 238.295 -0.390 20 30 BBEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)C1=O ZINC000644715352 385133468 /nfs/dbraw/zinc/13/34/68/385133468.db2.gz WYWVSSDZGYCYLA-NOOOWODRSA-N 1 0 236.315 -0.057 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)C1=O ZINC000644715355 385133448 /nfs/dbraw/zinc/13/34/48/385133448.db2.gz WYWVSSDZGYCYLA-QCNOEVLYSA-N 1 0 236.315 -0.057 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715356 385134282 /nfs/dbraw/zinc/13/42/82/385134282.db2.gz WZSMQSSPTUBAKT-UKKRHICBSA-N 1 0 224.304 -0.153 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715358 385132923 /nfs/dbraw/zinc/13/29/23/385132923.db2.gz WZSMQSSPTUBAKT-ZNSHCXBVSA-N 1 0 224.304 -0.153 20 30 BBEDRO C=CCNC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715408 385134002 /nfs/dbraw/zinc/13/40/02/385134002.db2.gz ZQIFCDXDUCGXLF-MYJAWHEDSA-N 1 0 210.277 -0.541 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644731211 385259183 /nfs/dbraw/zinc/25/91/83/385259183.db2.gz DVHPSZZFFVCROZ-GHMZBOCLSA-N 1 0 223.320 -0.076 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644731215 385260738 /nfs/dbraw/zinc/26/07/38/385260738.db2.gz DVHPSZZFFVCROZ-MNOVXSKESA-N 1 0 223.320 -0.076 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644731218 385258912 /nfs/dbraw/zinc/25/89/12/385258912.db2.gz DVHPSZZFFVCROZ-QWRGUYRKSA-N 1 0 223.320 -0.076 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644731220 385260569 /nfs/dbraw/zinc/26/05/69/385260569.db2.gz DVHPSZZFFVCROZ-WDEREUQCSA-N 1 0 223.320 -0.076 20 30 BBEDRO C=CCOCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000645090073 386706392 /nfs/dbraw/zinc/70/63/92/386706392.db2.gz CRYKOJNQKSJGFL-AOOOYVTPSA-N 1 0 201.266 -0.384 20 30 BBEDRO CC#CC[C@H](CO)Nc1cc[nH+]cc1C(N)=O ZINC000645406268 386482290 /nfs/dbraw/zinc/48/22/90/386482290.db2.gz VQKWZTXGUJVXHD-SECBINFHSA-N 1 0 233.271 -0.211 20 30 BBEDRO CC#CC[C@@H](CO)Nc1cc[nH+]cc1C(N)=O ZINC000645406269 386481978 /nfs/dbraw/zinc/48/19/78/386481978.db2.gz VQKWZTXGUJVXHD-VIFPVBQESA-N 1 0 233.271 -0.211 20 30 BBEDRO CC(=O)[C@](C)(O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000646033008 388129418 /nfs/dbraw/zinc/12/94/18/388129418.db2.gz SNHDDMPPQYATJK-GHMZBOCLSA-N 1 0 226.276 -0.323 20 30 BBEDRO CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000646033009 388129183 /nfs/dbraw/zinc/12/91/83/388129183.db2.gz SNHDDMPPQYATJK-MNOVXSKESA-N 1 0 226.276 -0.323 20 30 BBEDRO CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000646033010 388129372 /nfs/dbraw/zinc/12/93/72/388129372.db2.gz SNHDDMPPQYATJK-QWRGUYRKSA-N 1 0 226.276 -0.323 20 30 BBEDRO CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000646033011 388129404 /nfs/dbraw/zinc/12/94/04/388129404.db2.gz SNHDDMPPQYATJK-WDEREUQCSA-N 1 0 226.276 -0.323 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+](C)CCNC(C)=O ZINC000646047168 388132674 /nfs/dbraw/zinc/13/26/74/388132674.db2.gz JFUMUVJEWPTYCB-JTQLQIEISA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C)[C@@H](CO)[N@H+](C)CCNC(C)=O ZINC000646047169 388132664 /nfs/dbraw/zinc/13/26/64/388132664.db2.gz JFUMUVJEWPTYCB-SNVBAGLBSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCNC(=O)CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000646214204 388165935 /nfs/dbraw/zinc/16/59/35/388165935.db2.gz IECPNDIIVUCCBD-BDAKNGLRSA-N 1 0 242.323 -0.286 20 30 BBEDRO C=CCNC(=O)CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000646214205 388166079 /nfs/dbraw/zinc/16/60/79/388166079.db2.gz IECPNDIIVUCCBD-DTWKUNHWSA-N 1 0 242.323 -0.286 20 30 BBEDRO C=CCNC(=O)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000646214206 388166074 /nfs/dbraw/zinc/16/60/74/388166074.db2.gz IECPNDIIVUCCBD-IUCAKERBSA-N 1 0 242.323 -0.286 20 30 BBEDRO C=CCNC(=O)CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000646214207 388166041 /nfs/dbraw/zinc/16/60/41/388166041.db2.gz IECPNDIIVUCCBD-RKDXNWHRSA-N 1 0 242.323 -0.286 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646294775 388177654 /nfs/dbraw/zinc/17/76/54/388177654.db2.gz GVJNBJHEGNFLEH-SECBINFHSA-N 1 0 225.292 -0.597 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646294776 388177659 /nfs/dbraw/zinc/17/76/59/388177659.db2.gz GVJNBJHEGNFLEH-VIFPVBQESA-N 1 0 225.292 -0.597 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)COCC[NH3+] ZINC000646390019 388349612 /nfs/dbraw/zinc/34/96/12/388349612.db2.gz QTUWGIFHOBXXQP-UWVGGRQHSA-N 1 0 228.292 -0.331 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCCn1ccnc1 ZINC000646577473 388388592 /nfs/dbraw/zinc/38/85/92/388388592.db2.gz HMIZIQJIPIPABW-SECBINFHSA-N 1 0 209.249 -0.064 20 30 BBEDRO C=C[C@H](O)C(=O)NCCCn1ccnc1 ZINC000646577474 388388768 /nfs/dbraw/zinc/38/87/68/388388768.db2.gz HMIZIQJIPIPABW-VIFPVBQESA-N 1 0 209.249 -0.064 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[NH+](CC)CC ZINC000646624082 388397151 /nfs/dbraw/zinc/39/71/51/388397151.db2.gz XHGOPHLQSMHGIE-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[NH+](CC)CC ZINC000646624083 388397420 /nfs/dbraw/zinc/39/74/20/388397420.db2.gz XHGOPHLQSMHGIE-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC(C)(C)[NH+](C)C ZINC000646625825 388397801 /nfs/dbraw/zinc/39/78/01/388397801.db2.gz DGURGQIPWIVTDQ-MRVPVSSYSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@H](O)C(=O)NCC(C)(C)[NH+](C)C ZINC000646625826 388397484 /nfs/dbraw/zinc/39/74/84/388397484.db2.gz DGURGQIPWIVTDQ-QMMMGPOBSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=CCCOCC(=O)NCCN1CC[NH2+]CC1 ZINC000646631798 388398431 /nfs/dbraw/zinc/39/84/31/388398431.db2.gz FWSTZRWGADWPBL-UHFFFAOYSA-N 1 0 241.335 -0.400 20 30 BBEDRO C=C[C@H](O)C(=O)NCCC[N@@H+](C)CCOC ZINC000646669281 388409287 /nfs/dbraw/zinc/40/92/87/388409287.db2.gz FZGCZBZXTRFZKK-JTQLQIEISA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCC[N@@H+](C)CCOC ZINC000646669282 388409222 /nfs/dbraw/zinc/40/92/22/388409222.db2.gz FZGCZBZXTRFZKK-SNVBAGLBSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000646682030 388415093 /nfs/dbraw/zinc/41/50/93/388415093.db2.gz CHUBBTQCXLJCOJ-LLVKDONJSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=C[C@H](O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000646682031 388415063 /nfs/dbraw/zinc/41/50/63/388415063.db2.gz CHUBBTQCXLJCOJ-NSHDSACASA-N 1 0 242.319 -0.238 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000646718922 388430386 /nfs/dbraw/zinc/43/03/86/388430386.db2.gz HKHQDQNCHBXPHD-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000646718923 388430855 /nfs/dbraw/zinc/43/08/55/388430855.db2.gz HKHQDQNCHBXPHD-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000646718924 388430836 /nfs/dbraw/zinc/43/08/36/388430836.db2.gz HKHQDQNCHBXPHD-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000646718925 388430501 /nfs/dbraw/zinc/43/05/01/388430501.db2.gz HKHQDQNCHBXPHD-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000646761951 388486541 /nfs/dbraw/zinc/48/65/41/388486541.db2.gz NUIQPLKJWZPFCW-LLVKDONJSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000646761952 388486494 /nfs/dbraw/zinc/48/64/94/388486494.db2.gz NUIQPLKJWZPFCW-NSHDSACASA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](C)CCOC ZINC000646795654 388506992 /nfs/dbraw/zinc/50/69/92/388506992.db2.gz YESKXPHXIRSHDV-SECBINFHSA-N 1 0 216.281 -0.772 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[N@@H+](C)CCOC ZINC000646795655 388507452 /nfs/dbraw/zinc/50/74/52/388507452.db2.gz YESKXPHXIRSHDV-VIFPVBQESA-N 1 0 216.281 -0.772 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000646803070 388520230 /nfs/dbraw/zinc/52/02/30/388520230.db2.gz IXNZSDXUJCVVMC-GHMZBOCLSA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000646803071 388520005 /nfs/dbraw/zinc/52/00/05/388520005.db2.gz IXNZSDXUJCVVMC-MNOVXSKESA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000646803072 388519851 /nfs/dbraw/zinc/51/98/51/388519851.db2.gz IXNZSDXUJCVVMC-QWRGUYRKSA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000646803073 388519988 /nfs/dbraw/zinc/51/99/88/388519988.db2.gz IXNZSDXUJCVVMC-WDEREUQCSA-N 1 0 241.335 -0.715 20 30 BBEDRO C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646846150 388624291 /nfs/dbraw/zinc/62/42/91/388624291.db2.gz OMFDQZYOLMZGGW-NXEZZACHSA-N 1 0 228.292 -0.236 20 30 BBEDRO C=CCOCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646846151 388624617 /nfs/dbraw/zinc/62/46/17/388624617.db2.gz OMFDQZYOLMZGGW-UWVGGRQHSA-N 1 0 228.292 -0.236 20 30 BBEDRO C=CCOCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646846152 388624155 /nfs/dbraw/zinc/62/41/55/388624155.db2.gz OMFDQZYOLMZGGW-VHSXEESVSA-N 1 0 228.292 -0.236 20 30 BBEDRO C=CCOCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646846153 388624124 /nfs/dbraw/zinc/62/41/24/388624124.db2.gz OMFDQZYOLMZGGW-ZJUUUORDSA-N 1 0 228.292 -0.236 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000646874638 388746944 /nfs/dbraw/zinc/74/69/44/388746944.db2.gz RCNYHZDGKDHASI-BDAKNGLRSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000646874639 388747058 /nfs/dbraw/zinc/74/70/58/388747058.db2.gz RCNYHZDGKDHASI-DTWKUNHWSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000646874640 388746576 /nfs/dbraw/zinc/74/65/76/388746576.db2.gz RCNYHZDGKDHASI-IUCAKERBSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000646874641 388746999 /nfs/dbraw/zinc/74/69/99/388746999.db2.gz RCNYHZDGKDHASI-RKDXNWHRSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=CCCOCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000646972978 385100413 /nfs/dbraw/zinc/10/04/13/385100413.db2.gz CJXXIDNDZSUIAW-JTQLQIEISA-N 1 0 228.292 -0.235 20 30 BBEDRO C=CCCOCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000646972979 385099590 /nfs/dbraw/zinc/09/95/90/385099590.db2.gz CJXXIDNDZSUIAW-SNVBAGLBSA-N 1 0 228.292 -0.235 20 30 BBEDRO C=CCCn1cc(C(=O)NC[C@@H](C)[NH3+])nn1 ZINC000647023392 385158127 /nfs/dbraw/zinc/15/81/27/385158127.db2.gz ZKOSIPASHIVSBB-MRVPVSSYSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CCCn1cc(C(=O)NC[C@H](C)[NH3+])nn1 ZINC000647023393 385158145 /nfs/dbraw/zinc/15/81/45/385158145.db2.gz ZKOSIPASHIVSBB-QMMMGPOBSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CCn1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000647113652 384204757 /nfs/dbraw/zinc/20/47/57/384204757.db2.gz VJYXXGUQHJZLHM-AOOOYVTPSA-N 1 0 247.302 -0.245 20 30 BBEDRO CC(C)COC[C@H](O)C[NH2+]CC#CCO ZINC000647526122 384578035 /nfs/dbraw/zinc/57/80/35/384578035.db2.gz RUSRRYBKLKZPBA-LLVKDONJSA-N 1 0 215.293 -0.395 20 30 BBEDRO CC(C)COC[C@@H](O)C[NH2+]CC#CCO ZINC000647526123 384579296 /nfs/dbraw/zinc/57/92/96/384579296.db2.gz RUSRRYBKLKZPBA-NSHDSACASA-N 1 0 215.293 -0.395 20 30 BBEDRO CC#CCN(C)C(=O)CN1CCN(C)CC1 ZINC000647540840 384691664 /nfs/dbraw/zinc/69/16/64/384691664.db2.gz DUYMYYBERQHQHP-UHFFFAOYSA-N 1 0 223.320 -0.285 20 30 BBEDRO C=CCn1cc(C(=O)NC2CC[NH2+]CC2)nn1 ZINC000647605738 384931598 /nfs/dbraw/zinc/93/15/98/384931598.db2.gz SZTIBKPTBRKCSC-UHFFFAOYSA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCn1cc(C(=O)NCCC[NH3+])nn1 ZINC000647610997 384950598 /nfs/dbraw/zinc/95/05/98/384950598.db2.gz ORETXQFGPKNZIH-UHFFFAOYSA-N 1 0 209.253 -0.457 20 30 BBEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]C)C2)nn1 ZINC000647613695 384956286 /nfs/dbraw/zinc/95/62/86/384956286.db2.gz IFGULLVJOMUAAF-SECBINFHSA-N 1 0 235.291 -0.102 20 30 BBEDRO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]C)C2)nn1 ZINC000647613696 384955845 /nfs/dbraw/zinc/95/58/45/384955845.db2.gz IFGULLVJOMUAAF-VIFPVBQESA-N 1 0 235.291 -0.102 20 30 BBEDRO C=CCn1cc(C(=O)N2CCC[NH2+]CC2)nn1 ZINC000647615136 384967225 /nfs/dbraw/zinc/96/72/25/384967225.db2.gz KBCXTONHPFCMAY-UHFFFAOYSA-N 1 0 235.291 -0.100 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H]2CCC[NH2+]C2)nn1 ZINC000647640399 385067147 /nfs/dbraw/zinc/06/71/47/385067147.db2.gz HHAZSHMQKDNAHZ-SECBINFHSA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCn1cc(C(=O)N[C@H]2CCC[NH2+]C2)nn1 ZINC000647640400 385066515 /nfs/dbraw/zinc/06/65/15/385066515.db2.gz HHAZSHMQKDNAHZ-VIFPVBQESA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCn1cc(C(=O)NCCC[NH2+]C)nn1 ZINC000647648815 385249319 /nfs/dbraw/zinc/24/93/19/385249319.db2.gz JEPGTOYBCWXHIQ-UHFFFAOYSA-N 1 0 223.280 -0.197 20 30 BBEDRO C=CCn1cc(C(=O)N[C@H]2CC[NH2+]C2)nn1 ZINC000647680410 385664336 /nfs/dbraw/zinc/66/43/36/385664336.db2.gz AAXBHNVCSMSAGO-QMMMGPOBSA-N 1 0 221.264 -0.444 20 30 BBEDRO C=CCn1cc(C(=O)N2CC[NH2+]C[C@H]2C)nn1 ZINC000647711618 397977932 /nfs/dbraw/zinc/97/79/32/397977932.db2.gz RRLBZHSOHSKYRP-SECBINFHSA-N 1 0 235.291 -0.102 20 30 BBEDRO C=CCn1cc(C(=O)N2CC[NH2+]C[C@@H]2C)nn1 ZINC000647711619 397978048 /nfs/dbraw/zinc/97/80/48/397978048.db2.gz RRLBZHSOHSKYRP-VIFPVBQESA-N 1 0 235.291 -0.102 20 30 BBEDRO C=CCn1cc(C(=O)NCC[NH2+]C)nn1 ZINC000647744071 385961115 /nfs/dbraw/zinc/96/11/15/385961115.db2.gz QJCXIOCLGKRKAE-UHFFFAOYSA-N 1 0 209.253 -0.587 20 30 BBEDRO C=CCn1cc(C(=O)NCC[NH2+]CC)nn1 ZINC000647748163 398116544 /nfs/dbraw/zinc/11/65/44/398116544.db2.gz NPIBBNBQBYLDNL-UHFFFAOYSA-N 1 0 223.280 -0.197 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@H]2CCC[NH2+]2)nn1 ZINC000647754681 386109433 /nfs/dbraw/zinc/10/94/33/386109433.db2.gz ZDPVFNANGRQVFH-SECBINFHSA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@@H]2CCC[NH2+]2)nn1 ZINC000647754682 386108103 /nfs/dbraw/zinc/10/81/03/386108103.db2.gz ZDPVFNANGRQVFH-VIFPVBQESA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCn1cc(C(=O)NCC[NH2+]C2CC2)nn1 ZINC000647756051 386157817 /nfs/dbraw/zinc/15/78/17/386157817.db2.gz UMBASLVFFVGNAS-UHFFFAOYSA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCn1cc(C(=O)NC(C)(C)C[NH3+])nn1 ZINC000647764710 385804681 /nfs/dbraw/zinc/80/46/81/385804681.db2.gz PGBSFQICFCPQJZ-UHFFFAOYSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CCOCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647775174 386551244 /nfs/dbraw/zinc/55/12/44/386551244.db2.gz DICAZLUDDVDMEW-UHFFFAOYSA-N 1 0 241.335 -0.447 20 30 BBEDRO C=CCn1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)nn1 ZINC000647791508 385663743 /nfs/dbraw/zinc/66/37/43/385663743.db2.gz FXUJCFPALNGEIL-SECBINFHSA-N 1 0 235.291 -0.102 20 30 BBEDRO C=CCn1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)nn1 ZINC000647791509 385665177 /nfs/dbraw/zinc/66/51/77/385665177.db2.gz FXUJCFPALNGEIL-VIFPVBQESA-N 1 0 235.291 -0.102 20 30 BBEDRO C=CCn1cc(C(=O)N2CC[NH2+][C@H](C)C2)nn1 ZINC000647807485 398216636 /nfs/dbraw/zinc/21/66/36/398216636.db2.gz CCXNUIRVDSIOAF-SECBINFHSA-N 1 0 235.291 -0.102 20 30 BBEDRO C=CCn1cc(C(=O)N2CC[NH2+][C@@H](C)C2)nn1 ZINC000647807486 398216655 /nfs/dbraw/zinc/21/66/55/398216655.db2.gz CCXNUIRVDSIOAF-VIFPVBQESA-N 1 0 235.291 -0.102 20 30 BBEDRO C=CCn1cc(C(=O)N(C)[C@H](C)C[NH3+])nn1 ZINC000647811062 385863091 /nfs/dbraw/zinc/86/30/91/385863091.db2.gz UKPIYDMWIIECKG-MRVPVSSYSA-N 1 0 223.280 -0.117 20 30 BBEDRO C=CCn1cc(C(=O)N(C)[C@@H](C)C[NH3+])nn1 ZINC000647811063 385862423 /nfs/dbraw/zinc/86/24/23/385862423.db2.gz UKPIYDMWIIECKG-QMMMGPOBSA-N 1 0 223.280 -0.117 20 30 BBEDRO C=CCn1cc(C(=O)N(C)CCC[NH3+])nn1 ZINC000647830244 385878512 /nfs/dbraw/zinc/87/85/12/385878512.db2.gz BYMLQDZGJKTMTN-UHFFFAOYSA-N 1 0 223.280 -0.115 20 30 BBEDRO C=CCn1cc(C(=O)N[C@H](C[NH3+])C2CC2)nn1 ZINC000647834387 385885763 /nfs/dbraw/zinc/88/57/63/385885763.db2.gz SNUCDQGCXAINKG-SECBINFHSA-N 1 0 235.291 -0.069 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H](C[NH3+])C2CC2)nn1 ZINC000647834388 385884808 /nfs/dbraw/zinc/88/48/08/385884808.db2.gz SNUCDQGCXAINKG-VIFPVBQESA-N 1 0 235.291 -0.069 20 30 BBEDRO C=CCn1cc(C(=O)NCC(C)(C)[NH3+])nn1 ZINC000647843642 385892873 /nfs/dbraw/zinc/89/28/73/385892873.db2.gz OHDWJJQNFQDPDB-UHFFFAOYSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CCCS(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647886228 386294453 /nfs/dbraw/zinc/29/44/53/386294453.db2.gz HKLKXHHHAIOFJZ-UWVGGRQHSA-N 1 0 248.348 -0.501 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647961300 386735013 /nfs/dbraw/zinc/73/50/13/386735013.db2.gz ZXQCVGTWWKVJGR-UWVGGRQHSA-N 1 0 229.299 -0.080 20 30 BBEDRO C=C[C@@H](C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000648084661 387530717 /nfs/dbraw/zinc/53/07/17/387530717.db2.gz CUDZNEAUYFVLCD-NXEZZACHSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=C[C@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000648084662 387529750 /nfs/dbraw/zinc/52/97/50/387529750.db2.gz CUDZNEAUYFVLCD-UWVGGRQHSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=C[C@H](C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000648084663 387531063 /nfs/dbraw/zinc/53/10/63/387531063.db2.gz CUDZNEAUYFVLCD-VHSXEESVSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=C[C@@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000648084664 387530518 /nfs/dbraw/zinc/53/05/18/387530518.db2.gz CUDZNEAUYFVLCD-ZJUUUORDSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=C[C@@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000648084705 387533342 /nfs/dbraw/zinc/53/33/42/387533342.db2.gz OVFSXKJDPBPWEU-BDAKNGLRSA-N 1 0 225.292 -0.455 20 30 BBEDRO C=C[C@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000648084706 387532762 /nfs/dbraw/zinc/53/27/62/387532762.db2.gz OVFSXKJDPBPWEU-DTWKUNHWSA-N 1 0 225.292 -0.455 20 30 BBEDRO C=C[C@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000648084707 387532976 /nfs/dbraw/zinc/53/29/76/387532976.db2.gz OVFSXKJDPBPWEU-IUCAKERBSA-N 1 0 225.292 -0.455 20 30 BBEDRO C=C[C@@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000648084708 387533312 /nfs/dbraw/zinc/53/33/12/387533312.db2.gz OVFSXKJDPBPWEU-RKDXNWHRSA-N 1 0 225.292 -0.455 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@H](C)C[NH3+])nn1 ZINC000648104380 387021153 /nfs/dbraw/zinc/02/11/53/387021153.db2.gz XEVIRKRIPYAQQO-MRVPVSSYSA-N 1 0 223.280 -0.211 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@@H](C)C[NH3+])nn1 ZINC000648104381 387021241 /nfs/dbraw/zinc/02/12/41/387021241.db2.gz XEVIRKRIPYAQQO-QMMMGPOBSA-N 1 0 223.280 -0.211 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@@H]([NH3+])C2CC2)nn1 ZINC000648106198 387028218 /nfs/dbraw/zinc/02/82/18/387028218.db2.gz LBZMUSNZOSHENZ-SECBINFHSA-N 1 0 235.291 -0.069 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@H]([NH3+])C2CC2)nn1 ZINC000648106199 387028754 /nfs/dbraw/zinc/02/87/54/387028754.db2.gz LBZMUSNZOSHENZ-VIFPVBQESA-N 1 0 235.291 -0.069 20 30 BBEDRO C=CCn1cc(C(=O)N[C@H](C)CC[NH3+])nn1 ZINC000648107650 387047195 /nfs/dbraw/zinc/04/71/95/387047195.db2.gz DITBVYKJDYZJHN-MRVPVSSYSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H](C)CC[NH3+])nn1 ZINC000648107651 387048234 /nfs/dbraw/zinc/04/82/34/387048234.db2.gz DITBVYKJDYZJHN-QMMMGPOBSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CCn1cc(C(=O)N[C@H](C)C[NH3+])nn1 ZINC000648110542 387582335 /nfs/dbraw/zinc/58/23/35/387582335.db2.gz ARYFZMLFWRBLER-SSDOTTSWSA-N 1 0 209.253 -0.459 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@@H](C)[NH3+])nn1 ZINC000648129601 384088737 /nfs/dbraw/zinc/08/87/37/384088737.db2.gz NTSGGNBPNZJGOF-SSDOTTSWSA-N 1 0 209.253 -0.459 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@H](C)[NH3+])nn1 ZINC000648129602 384087642 /nfs/dbraw/zinc/08/76/42/384087642.db2.gz NTSGGNBPNZJGOF-ZETCQYMHSA-N 1 0 209.253 -0.459 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nn1 ZINC000648140548 384169726 /nfs/dbraw/zinc/16/97/26/384169726.db2.gz ZFVGSVRSMLOQGF-MBTKJCJQSA-N 1 0 233.275 -0.588 20 30 BBEDRO C=CCn1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])nn1 ZINC000648145175 384440727 /nfs/dbraw/zinc/44/07/27/384440727.db2.gz MHNSHXJPHOIFOJ-HTQZYQBOSA-N 1 0 223.280 -0.070 20 30 BBEDRO C=CCn1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])nn1 ZINC000648145176 384442689 /nfs/dbraw/zinc/44/26/89/384442689.db2.gz MHNSHXJPHOIFOJ-JGVFFNPUSA-N 1 0 223.280 -0.070 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])nn1 ZINC000648145177 384440716 /nfs/dbraw/zinc/44/07/16/384440716.db2.gz MHNSHXJPHOIFOJ-SFYZADRCSA-N 1 0 223.280 -0.070 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])nn1 ZINC000648145178 384441106 /nfs/dbraw/zinc/44/11/06/384441106.db2.gz MHNSHXJPHOIFOJ-YUMQZZPRSA-N 1 0 223.280 -0.070 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@H]([NH3+])CC)nn1 ZINC000648145724 384450622 /nfs/dbraw/zinc/45/06/22/384450622.db2.gz ANDQNPHITFCWAR-MRVPVSSYSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@@H]([NH3+])CC)nn1 ZINC000648145725 384450791 /nfs/dbraw/zinc/45/07/91/384450791.db2.gz ANDQNPHITFCWAR-QMMMGPOBSA-N 1 0 223.280 -0.069 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648154558 384574821 /nfs/dbraw/zinc/57/48/21/384574821.db2.gz ISTROIBISCOVLK-HLTSFMKQSA-N 1 0 223.276 -0.845 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)nn1 ZINC000648179886 384449301 /nfs/dbraw/zinc/44/93/01/384449301.db2.gz JCBWQUYJGLEGBB-URLYPYJESA-N 1 0 247.302 -0.454 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)nn1 ZINC000648179935 384451084 /nfs/dbraw/zinc/45/10/84/384451084.db2.gz MKSDXXFTZVXXFD-IEBDPFPHSA-N 1 0 247.302 -0.169 20 30 BBEDRO C=CCn1cc(C(=O)NCC[NH+](C)C)nn1 ZINC000648713490 397948847 /nfs/dbraw/zinc/94/88/47/397948847.db2.gz HNJCUUWJDUMNPV-UHFFFAOYSA-N 1 0 223.280 -0.245 20 30 BBEDRO C=CCn1cc(C(=O)N2CC([NH+](C)C)C2)nn1 ZINC000648844272 388466378 /nfs/dbraw/zinc/46/63/78/388466378.db2.gz WOPVKWLEALZOHO-UHFFFAOYSA-N 1 0 235.291 -0.150 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648854303 388470536 /nfs/dbraw/zinc/47/05/36/388470536.db2.gz XCHOGGXIDDLACO-NXEZZACHSA-N 1 0 239.319 -0.255 20 30 BBEDRO CC#CC[C@@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000649186437 388897458 /nfs/dbraw/zinc/89/74/58/388897458.db2.gz YYHAFWAOGRHPEO-UWVGGRQHSA-N 1 0 212.293 -0.173 20 30 BBEDRO CC#CC[C@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000649186438 388897306 /nfs/dbraw/zinc/89/73/06/388897306.db2.gz YYHAFWAOGRHPEO-VHSXEESVSA-N 1 0 212.293 -0.173 20 30 BBEDRO C[C@@H]1[C@H](C(=O)NCC#CCO)CC[N@@H+]1C ZINC000649219758 388460285 /nfs/dbraw/zinc/46/02/85/388460285.db2.gz CQPUSNJVUHKURG-NXEZZACHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+](C)CC(C)(CO)CO ZINC000649355997 398169643 /nfs/dbraw/zinc/16/96/43/398169643.db2.gz QAGBXYFACPHZCC-JTQLQIEISA-N 1 0 217.309 -0.154 20 30 BBEDRO C=C(C)[C@@H](CO)[N@H+](C)CC(C)(CO)CO ZINC000649355998 398169785 /nfs/dbraw/zinc/16/97/85/398169785.db2.gz QAGBXYFACPHZCC-SNVBAGLBSA-N 1 0 217.309 -0.154 20 30 BBEDRO C=CCC[N@@H+](CCO)CCOCCO ZINC000649627348 398009071 /nfs/dbraw/zinc/00/90/71/398009071.db2.gz BLGVBCVMVJNYER-UHFFFAOYSA-N 1 0 203.282 -0.134 20 30 BBEDRO C=CCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688082 398036462 /nfs/dbraw/zinc/03/64/62/398036462.db2.gz QKTJMZJIUNXTNS-UHFFFAOYSA-N 1 0 211.309 -0.122 20 30 BBEDRO COCC#CC[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649744738 398082196 /nfs/dbraw/zinc/08/21/96/398082196.db2.gz MFYREYGIGCDGJM-WDEREUQCSA-N 1 0 213.277 -0.282 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)[C@H](C)CCO ZINC000649866452 398148765 /nfs/dbraw/zinc/14/87/65/398148765.db2.gz UDWWYZFTBUUOPL-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCNC(=O)C[N@@H+](C)[C@@H](C)CCO ZINC000649866453 398149178 /nfs/dbraw/zinc/14/91/78/398149178.db2.gz UDWWYZFTBUUOPL-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO CCC#C[C@@H](C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000650043410 398225804 /nfs/dbraw/zinc/22/58/04/398225804.db2.gz QSCUQTQAILIXOA-BBBLOLIVSA-N 1 0 220.272 -0.007 20 30 BBEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000650043411 398226775 /nfs/dbraw/zinc/22/67/75/398226775.db2.gz QSCUQTQAILIXOA-LPEHRKFASA-N 1 0 220.272 -0.007 20 30 BBEDRO C=C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653091765 409672892 /nfs/dbraw/zinc/67/28/92/409672892.db2.gz HYFXCVAXBVKKGL-QXEWZRGKSA-N 1 0 210.277 -0.087 20 30 BBEDRO C=C[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653091766 409673015 /nfs/dbraw/zinc/67/30/15/409673015.db2.gz HYFXCVAXBVKKGL-YWVKMMECSA-N 1 0 210.277 -0.087 20 30 BBEDRO C=CCN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653138089 409859121 /nfs/dbraw/zinc/85/91/21/409859121.db2.gz ILKUSUIGIAONNW-ONGXEEELSA-N 1 0 210.277 -0.133 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653150788 409875337 /nfs/dbraw/zinc/87/53/37/409875337.db2.gz PDCWVVHIXNOQIC-JTQLQIEISA-N 1 0 239.319 -0.206 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653150789 409874129 /nfs/dbraw/zinc/87/41/29/409874129.db2.gz PDCWVVHIXNOQIC-SNVBAGLBSA-N 1 0 239.319 -0.206 20 30 BBEDRO COCC#CCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000653686371 411177982 /nfs/dbraw/zinc/17/79/82/411177982.db2.gz XZCLCSVMDLSEBE-QWRGUYRKSA-N 1 0 212.293 -0.757 20 30 BBEDRO C=C(C)[C@@H](CO)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000653686402 411178360 /nfs/dbraw/zinc/17/83/60/411178360.db2.gz YVIUVLREHAJSIN-AXFHLTTASA-N 1 0 214.309 -0.470 20 30 BBEDRO C=C(C)[C@H](CO)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000653686403 411178173 /nfs/dbraw/zinc/17/81/73/411178173.db2.gz YVIUVLREHAJSIN-DCAQKATOSA-N 1 0 214.309 -0.470 20 30 BBEDRO COCC#CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829158 487594381 /nfs/dbraw/zinc/59/43/81/487594381.db2.gz AZUCIIFJGKDRHQ-NWDGAFQWSA-N 1 0 224.304 -0.613 20 30 BBEDRO C=C(C)[C@@H](CO)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829826 490146483 /nfs/dbraw/zinc/14/64/83/490146483.db2.gz ZRIIDNBEXHORRS-QJPTWQEYSA-N 1 0 226.320 -0.326 20 30 BBEDRO C=C(C)[C@H](CO)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829827 490146366 /nfs/dbraw/zinc/14/63/66/490146366.db2.gz ZRIIDNBEXHORRS-TUAOUCFPSA-N 1 0 226.320 -0.326 20 30 BBEDRO C[NH+]1CCC(CC(=O)NCC#CCO)CC1 ZINC000655057305 411487162 /nfs/dbraw/zinc/48/71/62/411487162.db2.gz IOQDWPHFQIAPPZ-UHFFFAOYSA-N 1 0 224.304 -0.170 20 30 BBEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC#CCO ZINC000655057312 411486573 /nfs/dbraw/zinc/48/65/73/411486573.db2.gz KKSRAIBGJXUSHY-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCC#CCO ZINC000655057313 411486660 /nfs/dbraw/zinc/48/66/60/411486660.db2.gz KKSRAIBGJXUSHY-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO C[C@@H](C(=O)NCC#CCO)[NH+]1CC(C)C1 ZINC000655057586 411487675 /nfs/dbraw/zinc/48/76/75/411487675.db2.gz NNBXGZMGHFGXMK-JTQLQIEISA-N 1 0 210.277 -0.562 20 30 BBEDRO C[C@H](C(=O)NCC#CCO)[NH+]1CC(C)C1 ZINC000655057587 411487720 /nfs/dbraw/zinc/48/77/20/411487720.db2.gz NNBXGZMGHFGXMK-SNVBAGLBSA-N 1 0 210.277 -0.562 20 30 BBEDRO C=CCCOCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000655094442 411494133 /nfs/dbraw/zinc/49/41/33/411494133.db2.gz DERIGCLVRMKBSU-QWRGUYRKSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=CCOCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297474 409858895 /nfs/dbraw/zinc/85/88/95/409858895.db2.gz IZKJXRDHHJTKIF-WDEREUQCSA-N 1 0 240.303 -0.534 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@H](C)[NH2+]C)nn1 ZINC000655480386 487677771 /nfs/dbraw/zinc/67/77/71/487677771.db2.gz BVXKLAJEMFNFPJ-QMMMGPOBSA-N 1 0 223.280 -0.312 20 30 BBEDRO C=CCCn1cc(CN(C)C[C@H](O)C[NH3+])nn1 ZINC000655941046 411160598 /nfs/dbraw/zinc/16/05/98/411160598.db2.gz LHJQLIJSSSALSY-LLVKDONJSA-N 1 0 239.323 -0.394 20 30 BBEDRO C=CCCn1cc(CN(C)C[C@@H](O)C[NH3+])nn1 ZINC000655941047 411160467 /nfs/dbraw/zinc/16/04/67/411160467.db2.gz LHJQLIJSSSALSY-NSHDSACASA-N 1 0 239.323 -0.394 20 30 BBEDRO C=CCn1cc(CN2CC[NH2+]CC2)nn1 ZINC000656445905 411254668 /nfs/dbraw/zinc/25/46/68/411254668.db2.gz YHNVIRMCOQCMTE-UHFFFAOYSA-N 1 0 207.281 -0.131 20 30 BBEDRO CC#CCNCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467704 411279650 /nfs/dbraw/zinc/27/96/50/411279650.db2.gz FKHYXZOODPWRAE-LLVKDONJSA-N 1 0 219.292 -0.075 20 30 BBEDRO CC#CCNCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467722 411279620 /nfs/dbraw/zinc/27/96/20/411279620.db2.gz FKHYXZOODPWRAE-NSHDSACASA-N 1 0 219.292 -0.075 20 30 BBEDRO C=CCCn1cc(CNC[C@@H](O)COC)nn1 ZINC000657462695 411518721 /nfs/dbraw/zinc/51/87/21/411518721.db2.gz FZDIFRBHASIGOS-LLVKDONJSA-N 1 0 240.307 -0.049 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C)Cn1cncn1 ZINC000657951999 411178524 /nfs/dbraw/zinc/17/85/24/411178524.db2.gz BEVZIKVSJVUCMZ-SECBINFHSA-N 1 0 223.280 -0.442 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](C)Cn1cncn1 ZINC000657952000 411178807 /nfs/dbraw/zinc/17/88/07/411178807.db2.gz BEVZIKVSJVUCMZ-VIFPVBQESA-N 1 0 223.280 -0.442 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658455085 411357896 /nfs/dbraw/zinc/35/78/96/411357896.db2.gz QFVFGZHMIVGOMM-UHFFFAOYSA-N 1 0 239.319 -0.349 20 30 BBEDRO C=CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000659338537 411398351 /nfs/dbraw/zinc/39/83/51/411398351.db2.gz TYAHMGRPDVWDRS-UHFFFAOYSA-N 1 0 223.280 -0.067 20 30 BBEDRO C=CCOCCNC(=O)CCOC1C[NH2+]C1 ZINC000659381590 411397800 /nfs/dbraw/zinc/39/78/00/411397800.db2.gz JVGYQGSINMWWLY-UHFFFAOYSA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659479891 411419057 /nfs/dbraw/zinc/41/90/57/411419057.db2.gz NJHRZGOEVBDASD-VIFPVBQESA-N 1 0 213.281 -0.150 20 30 BBEDRO C=CCCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659506648 411423885 /nfs/dbraw/zinc/42/38/85/411423885.db2.gz DSARUSJSQUXSBG-UHFFFAOYSA-N 1 0 240.307 -0.707 20 30 BBEDRO C=CCOCCCNC(=O)NCC[NH3+] ZINC000659507057 411424327 /nfs/dbraw/zinc/42/43/27/411424327.db2.gz DINLQQWKQIGVLX-UHFFFAOYSA-N 1 0 201.270 -0.163 20 30 BBEDRO C=CCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000659507943 411423900 /nfs/dbraw/zinc/42/39/00/411423900.db2.gz PLUFHCQSYONLLU-UHFFFAOYSA-N 1 0 226.324 -0.233 20 30 BBEDRO C=CCOCCNC(=O)NCCC[NH3+] ZINC000659510398 411424749 /nfs/dbraw/zinc/42/47/49/411424749.db2.gz OQVQYVQVQODLMM-UHFFFAOYSA-N 1 0 201.270 -0.163 20 30 BBEDRO C=CCOCCNC(=O)NCC[NH2+]C ZINC000659515998 487763416 /nfs/dbraw/zinc/76/34/16/487763416.db2.gz ZMZOTVHVTQWABE-UHFFFAOYSA-N 1 0 201.270 -0.292 20 30 BBEDRO C=CCOCCNC(=O)NCC1C[NH2+]C1 ZINC000659527354 411429332 /nfs/dbraw/zinc/42/93/32/411429332.db2.gz JXSPSUXWKYEGFP-UHFFFAOYSA-N 1 0 213.281 -0.292 20 30 BBEDRO C=CCOCCNC(=O)N[C@H](C)C[NH3+] ZINC000659531343 411429850 /nfs/dbraw/zinc/42/98/50/411429850.db2.gz RBMVQOCDQXYLTD-MRVPVSSYSA-N 1 0 201.270 -0.165 20 30 BBEDRO C=CCOCCNC(=O)NC[C@@H](C)[NH3+] ZINC000659540346 411507678 /nfs/dbraw/zinc/50/76/78/411507678.db2.gz WKCHSRSMCUTBAR-MRVPVSSYSA-N 1 0 201.270 -0.165 20 30 BBEDRO C=CCOCCNC(=O)NC[C@H](C)[NH3+] ZINC000659540349 411507713 /nfs/dbraw/zinc/50/77/13/411507713.db2.gz WKCHSRSMCUTBAR-QMMMGPOBSA-N 1 0 201.270 -0.165 20 30 BBEDRO C=CCCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659554406 411434962 /nfs/dbraw/zinc/43/49/62/411434962.db2.gz MWLVWJUDBBTZNK-SECBINFHSA-N 1 0 213.281 -0.150 20 30 BBEDRO C=CCCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659554408 411434849 /nfs/dbraw/zinc/43/48/49/411434849.db2.gz MWLVWJUDBBTZNK-VIFPVBQESA-N 1 0 213.281 -0.150 20 30 BBEDRO C=CCOCCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659556132 411435467 /nfs/dbraw/zinc/43/54/67/411435467.db2.gz WFBWBIDQFIZTOL-JTQLQIEISA-N 1 0 243.307 -0.523 20 30 BBEDRO C=CCOCCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659556133 411435540 /nfs/dbraw/zinc/43/55/40/411435540.db2.gz WFBWBIDQFIZTOL-SNVBAGLBSA-N 1 0 243.307 -0.523 20 30 BBEDRO C=CCCNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000659562032 411173263 /nfs/dbraw/zinc/17/32/63/411173263.db2.gz XPLLFTQMZAUUAR-UHFFFAOYSA-N 1 0 225.292 -0.054 20 30 BBEDRO C=CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000659562582 411435996 /nfs/dbraw/zinc/43/59/96/411435996.db2.gz JGNJNFHKEOBXMC-JTQLQIEISA-N 1 0 226.324 -0.153 20 30 BBEDRO C=CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000659562583 411436208 /nfs/dbraw/zinc/43/62/08/411436208.db2.gz JGNJNFHKEOBXMC-SNVBAGLBSA-N 1 0 226.324 -0.153 20 30 BBEDRO C=CCCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000659562648 411433285 /nfs/dbraw/zinc/43/32/85/411433285.db2.gz KQBQCNSENHZACS-SECBINFHSA-N 1 0 213.281 -0.068 20 30 BBEDRO C=CCCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000659562649 411432668 /nfs/dbraw/zinc/43/26/68/411432668.db2.gz KQBQCNSENHZACS-VIFPVBQESA-N 1 0 213.281 -0.068 20 30 BBEDRO C=CCOCCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000659609369 411441449 /nfs/dbraw/zinc/44/14/49/411441449.db2.gz HPRZTPIIISBXMB-SECBINFHSA-N 1 0 213.281 -0.068 20 30 BBEDRO C=CCOCCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000659609370 411441421 /nfs/dbraw/zinc/44/14/21/411441421.db2.gz HPRZTPIIISBXMB-VIFPVBQESA-N 1 0 213.281 -0.068 20 30 BBEDRO C=CCOCCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000659609774 411441792 /nfs/dbraw/zinc/44/17/92/411441792.db2.gz JTSITCTURSJUIA-JTQLQIEISA-N 1 0 243.307 -0.442 20 30 BBEDRO C=CCOCCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000659609775 411441532 /nfs/dbraw/zinc/44/15/32/411441532.db2.gz JTSITCTURSJUIA-SNVBAGLBSA-N 1 0 243.307 -0.442 20 30 BBEDRO C=CCOCCNC(=O)N(C)CC[NH3+] ZINC000659611390 411233622 /nfs/dbraw/zinc/23/36/22/411233622.db2.gz QCUFZUQQKYSNRJ-UHFFFAOYSA-N 1 0 201.270 -0.211 20 30 BBEDRO C=CC[C@H](CO)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614306 411237289 /nfs/dbraw/zinc/23/72/89/411237289.db2.gz CKYPZUMBYAXYJG-SQLBVSGCSA-N 1 0 239.319 -0.025 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614307 411237332 /nfs/dbraw/zinc/23/73/32/411237332.db2.gz CKYPZUMBYAXYJG-YZRBJQDESA-N 1 0 239.319 -0.025 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)N[C@H](C)C[NH2+]C ZINC000659633065 411444079 /nfs/dbraw/zinc/44/40/79/411444079.db2.gz ATOSLLVMOHUAOA-BDAKNGLRSA-N 1 0 215.297 -0.170 20 30 BBEDRO C=CC[C@H](CO)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659633066 411444212 /nfs/dbraw/zinc/44/42/12/411444212.db2.gz ATOSLLVMOHUAOA-DTWKUNHWSA-N 1 0 215.297 -0.170 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659633068 411444755 /nfs/dbraw/zinc/44/47/55/411444755.db2.gz ATOSLLVMOHUAOA-IUCAKERBSA-N 1 0 215.297 -0.170 20 30 BBEDRO C=CC[C@H](CO)NC(=O)N[C@H](C)C[NH2+]C ZINC000659633069 411444625 /nfs/dbraw/zinc/44/46/25/411444625.db2.gz ATOSLLVMOHUAOA-RKDXNWHRSA-N 1 0 215.297 -0.170 20 30 BBEDRO C=CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659634854 411444500 /nfs/dbraw/zinc/44/45/00/411444500.db2.gz FJFQOANRKHMZAV-UHFFFAOYSA-N 1 0 237.263 -0.374 20 30 BBEDRO C=CCNC(=O)CNC(=O)N[C@H](C)C[NH2+]C ZINC000659638616 411274204 /nfs/dbraw/zinc/27/42/04/411274204.db2.gz UFIFCMOZEJMWBN-MRVPVSSYSA-N 1 0 228.296 -0.804 20 30 BBEDRO C=CCNC(=O)CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659638619 411274304 /nfs/dbraw/zinc/27/43/04/411274304.db2.gz UFIFCMOZEJMWBN-QMMMGPOBSA-N 1 0 228.296 -0.804 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659685325 411448227 /nfs/dbraw/zinc/44/82/27/411448227.db2.gz QGCUTHVVOYPXKJ-SECBINFHSA-N 1 0 227.308 -0.207 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659685326 411447878 /nfs/dbraw/zinc/44/78/78/411447878.db2.gz QGCUTHVVOYPXKJ-VIFPVBQESA-N 1 0 227.308 -0.207 20 30 BBEDRO C=CC[C@H]1CCCN(C(=O)C(=O)NCC[NH3+])C1 ZINC000659709699 411449122 /nfs/dbraw/zinc/44/91/22/411449122.db2.gz KOFGVSARWVGJNM-JTQLQIEISA-N 1 0 239.319 -0.124 20 30 BBEDRO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC[NH3+])C1 ZINC000659709700 411448847 /nfs/dbraw/zinc/44/88/47/411448847.db2.gz KOFGVSARWVGJNM-SNVBAGLBSA-N 1 0 239.319 -0.124 20 30 BBEDRO C=CCOCCCNC(=O)C(=O)NCCC[NH3+] ZINC000659711010 411448859 /nfs/dbraw/zinc/44/88/59/411448859.db2.gz VUIYKYQIVBOEDL-UHFFFAOYSA-N 1 0 243.307 -0.840 20 30 BBEDRO C=CCOCCCNC(=O)C(=O)NCC[NH2+]C ZINC000659713325 411392558 /nfs/dbraw/zinc/39/25/58/411392558.db2.gz PDWQFKHBUBXJNC-UHFFFAOYSA-N 1 0 243.307 -0.969 20 30 BBEDRO C=CCOCCCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000659714359 411449136 /nfs/dbraw/zinc/44/91/36/411449136.db2.gz MFJNXTCGYNPUID-SECBINFHSA-N 1 0 243.307 -0.841 20 30 BBEDRO C=CCOCCCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000659714360 411448668 /nfs/dbraw/zinc/44/86/68/411448668.db2.gz MFJNXTCGYNPUID-VIFPVBQESA-N 1 0 243.307 -0.841 20 30 BBEDRO C=CCOCCCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000659717876 411448894 /nfs/dbraw/zinc/44/88/94/411448894.db2.gz KVULKCDYPTVDIM-SECBINFHSA-N 1 0 243.307 -0.841 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731212 411449224 /nfs/dbraw/zinc/44/92/24/411449224.db2.gz SITRNVUXTBRSRC-VIFPVBQESA-N 1 0 225.292 -0.501 20 30 BBEDRO C=CCOCCCNC(=O)C(=O)N(C)CC[NH3+] ZINC000659734370 411448948 /nfs/dbraw/zinc/44/89/48/411448948.db2.gz CQEQIVBIYYLDHB-UHFFFAOYSA-N 1 0 243.307 -0.888 20 30 BBEDRO C=CCN(C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744413 411450084 /nfs/dbraw/zinc/45/00/84/411450084.db2.gz VGIRAABPRUGHST-UHFFFAOYSA-N 1 0 237.303 -0.501 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659752628 411449551 /nfs/dbraw/zinc/44/95/51/411449551.db2.gz KPJISIMIXPEWMM-SECBINFHSA-N 1 0 227.308 -0.255 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659752629 411449875 /nfs/dbraw/zinc/44/98/75/411449875.db2.gz KPJISIMIXPEWMM-VIFPVBQESA-N 1 0 227.308 -0.255 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659754334 411449797 /nfs/dbraw/zinc/44/97/97/411449797.db2.gz FAEWVOAUUXNCBF-JTQLQIEISA-N 1 0 239.319 -0.089 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659754335 411449977 /nfs/dbraw/zinc/44/99/77/411449977.db2.gz FAEWVOAUUXNCBF-SNVBAGLBSA-N 1 0 239.319 -0.089 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659757454 411449519 /nfs/dbraw/zinc/44/95/19/411449519.db2.gz VUGPOVSBHMNPNC-MRVPVSSYSA-N 1 0 213.281 -0.645 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659757456 411449929 /nfs/dbraw/zinc/44/99/29/411449929.db2.gz VUGPOVSBHMNPNC-QMMMGPOBSA-N 1 0 213.281 -0.645 20 30 BBEDRO C=CC[N@@H+](C)CCN1C(=O)CN(C)C1=O ZINC000660328448 411569618 /nfs/dbraw/zinc/56/96/18/411569618.db2.gz KNMJBRKHVNMKPT-UHFFFAOYSA-N 1 0 211.265 -0.002 20 30 BBEDRO CC#CC[N@H+](C)CCN1C(=O)CN(C)C1=O ZINC000660644864 411611586 /nfs/dbraw/zinc/61/15/86/411611586.db2.gz OOROQLYVAYCUND-UHFFFAOYSA-N 1 0 223.276 -0.165 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCOCCO ZINC000660723188 411619127 /nfs/dbraw/zinc/61/91/27/411619127.db2.gz UUZGZNKZKHTXSR-ZJUUUORDSA-N 1 0 201.266 -0.072 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000660723403 411619218 /nfs/dbraw/zinc/61/92/18/411619218.db2.gz XIRDVMQTFACSIL-BDAKNGLRSA-N 1 0 239.275 -0.529 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000660837915 411650391 /nfs/dbraw/zinc/65/03/91/411650391.db2.gz QUXAXIGBMXGKID-NXEZZACHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000660837916 411651531 /nfs/dbraw/zinc/65/15/31/411651531.db2.gz QUXAXIGBMXGKID-ZJUUUORDSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661144464 411718153 /nfs/dbraw/zinc/71/81/53/411718153.db2.gz FBUXEZJAXGKAHX-LLVKDONJSA-N 1 0 249.318 -0.098 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661144465 411718874 /nfs/dbraw/zinc/71/88/74/411718874.db2.gz FBUXEZJAXGKAHX-NSHDSACASA-N 1 0 249.318 -0.098 20 30 BBEDRO C=C[C@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000661274140 410441599 /nfs/dbraw/zinc/44/15/99/410441599.db2.gz DPKYVGSDVXBHHX-DTWKUNHWSA-N 1 0 215.297 -0.217 20 30 BBEDRO COCC#CC[N@H+](C)C[C@@H]1COCCO1 ZINC000661612461 411815965 /nfs/dbraw/zinc/81/59/65/411815965.db2.gz RPZMMCJBASABPN-LLVKDONJSA-N 1 0 213.277 -0.017 20 30 BBEDRO COCC#CC[N@H+](C)C[C@H]1COCCO1 ZINC000661612462 411816294 /nfs/dbraw/zinc/81/62/94/411816294.db2.gz RPZMMCJBASABPN-NSHDSACASA-N 1 0 213.277 -0.017 20 30 BBEDRO C=C(C)[C@H](CO)[NH+]1CCC(O)(CO)CC1 ZINC000661619041 487751687 /nfs/dbraw/zinc/75/16/87/487751687.db2.gz CURACIBVUVJBGN-JTQLQIEISA-N 1 0 215.293 -0.257 20 30 BBEDRO C=C(C)[C@@H](CO)[NH+]1CCC(O)(CO)CC1 ZINC000661619043 487751799 /nfs/dbraw/zinc/75/17/99/487751799.db2.gz CURACIBVUVJBGN-SNVBAGLBSA-N 1 0 215.293 -0.257 20 30 BBEDRO COCC#CC[NH+]1CCC(O)(CO)CC1 ZINC000661619283 411818799 /nfs/dbraw/zinc/81/87/99/411818799.db2.gz KOGFFHHMIWLEHZ-UHFFFAOYSA-N 1 0 213.277 -0.545 20 30 BBEDRO CC#CCN1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661681088 411833876 /nfs/dbraw/zinc/83/38/76/411833876.db2.gz MGGHKPWSQHZCLK-SNVBAGLBSA-N 1 0 230.333 -0.025 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661714190 411856157 /nfs/dbraw/zinc/85/61/57/411856157.db2.gz TXMZBDKVYHCRNS-GXSJLCMTSA-N 1 0 210.277 -0.255 20 30 BBEDRO COCC#CC[N@H+]1CCC(=O)N(C)CC1 ZINC000661809400 411887949 /nfs/dbraw/zinc/88/79/49/411887949.db2.gz UZPJKIQSSKFZCC-UHFFFAOYSA-N 1 0 210.277 -0.200 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000661815330 411891616 /nfs/dbraw/zinc/89/16/16/411891616.db2.gz VKGZFEVMVVJFJJ-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000661815331 411891497 /nfs/dbraw/zinc/89/14/97/411891497.db2.gz VKGZFEVMVVJFJJ-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CCC(CO)(CO)C1 ZINC000661945495 411916890 /nfs/dbraw/zinc/91/68/90/411916890.db2.gz OSZRWRXLMPPTFM-LLVKDONJSA-N 1 0 229.320 -0.010 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CCC(CO)(CO)C1 ZINC000661945496 411915785 /nfs/dbraw/zinc/91/57/85/411915785.db2.gz OSZRWRXLMPPTFM-NSHDSACASA-N 1 0 229.320 -0.010 20 30 BBEDRO COCC#CC[N@@H+]1CCC(CO)(CO)C1 ZINC000661949256 411915839 /nfs/dbraw/zinc/91/58/39/411915839.db2.gz SSDPTXRFHCQOKC-UHFFFAOYSA-N 1 0 213.277 -0.687 20 30 BBEDRO C=CCOCC[N@H+]1CCC(CO)(CO)C1 ZINC000661951231 411918788 /nfs/dbraw/zinc/91/87/88/411918788.db2.gz QVMFGUQMUAYQLL-UHFFFAOYSA-N 1 0 215.293 -0.134 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NCC(C)C ZINC000662164094 412015024 /nfs/dbraw/zinc/01/50/24/412015024.db2.gz ZXOSNOWPHKOZKH-SECBINFHSA-N 1 0 200.282 -0.105 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NCCCOC ZINC000662165334 412014967 /nfs/dbraw/zinc/01/49/67/412014967.db2.gz DVERFUAXBSKRPS-NXEZZACHSA-N 1 0 230.308 -0.336 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NCCCOC ZINC000662165335 412015312 /nfs/dbraw/zinc/01/53/12/412015312.db2.gz DVERFUAXBSKRPS-VHSXEESVSA-N 1 0 230.308 -0.336 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCCN1C(=O)CNC1=O ZINC000662165372 411997472 /nfs/dbraw/zinc/99/74/72/411997472.db2.gz DLLMKGPRKUDLPJ-MRVPVSSYSA-N 1 0 227.264 -0.935 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC000662165388 412014442 /nfs/dbraw/zinc/01/44/42/412014442.db2.gz FSZOMDRHRHVDEM-MRVPVSSYSA-N 1 0 212.249 -0.728 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCNS(=O)(=O)CC ZINC000662165396 412014333 /nfs/dbraw/zinc/01/43/33/412014333.db2.gz FACQPAQTVPLVMH-MRVPVSSYSA-N 1 0 222.310 -0.938 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NCC(F)(F)F ZINC000662165424 412015084 /nfs/dbraw/zinc/01/50/84/412015084.db2.gz GKEYEOMCEHIUST-ZCFIWIBFSA-N 1 0 226.198 -0.199 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCn1nc2ccccn2c1=O ZINC000662165437 412015160 /nfs/dbraw/zinc/01/51/60/412015160.db2.gz GAIABPQASOVTCE-SNVBAGLBSA-N 1 0 248.286 -0.368 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCCS(=O)(=O)N(C)C ZINC000662165446 412014610 /nfs/dbraw/zinc/01/46/10/412014610.db2.gz GNFMUFCNROPIKR-SECBINFHSA-N 1 0 236.337 -0.596 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000662165449 412015294 /nfs/dbraw/zinc/01/52/94/412015294.db2.gz GQVRVQIPQLLYCB-NXEZZACHSA-N 1 0 211.265 -0.620 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC000662165450 412014494 /nfs/dbraw/zinc/01/44/94/412014494.db2.gz GQVRVQIPQLLYCB-ZJUUUORDSA-N 1 0 211.265 -0.620 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N(C)CC1CC1 ZINC000662165459 411370531 /nfs/dbraw/zinc/37/05/31/411370531.db2.gz GZCNBDWWKWAWKY-SNVBAGLBSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000662165519 412014206 /nfs/dbraw/zinc/01/42/06/412014206.db2.gz HQHWKJYYCMJKJB-AXFHLTTASA-N 1 0 242.319 -0.193 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000662165520 412014704 /nfs/dbraw/zinc/01/47/04/412014704.db2.gz HQHWKJYYCMJKJB-GMTAPVOTSA-N 1 0 242.319 -0.193 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000662165521 412015305 /nfs/dbraw/zinc/01/53/05/412015305.db2.gz HQHWKJYYCMJKJB-HBNTYKKESA-N 1 0 242.319 -0.193 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000662165523 412015015 /nfs/dbraw/zinc/01/50/15/412015015.db2.gz HQHWKJYYCMJKJB-MXWKQRLJSA-N 1 0 242.319 -0.193 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCN1CCOCC1 ZINC000662165655 412015176 /nfs/dbraw/zinc/01/51/76/412015176.db2.gz KPPUWZUHROJAEY-SNVBAGLBSA-N 1 0 200.282 -0.545 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NCc1cccnc1 ZINC000662165706 411370214 /nfs/dbraw/zinc/37/02/14/411370214.db2.gz NILLRIBUBAUJDW-LLVKDONJSA-N 1 0 235.287 -0.166 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000662165839 412015132 /nfs/dbraw/zinc/01/51/32/412015132.db2.gz RASRZSWXDVQFBG-MRVPVSSYSA-N 1 0 241.291 -0.547 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCn1ccccc1=O ZINC000662165876 412015320 /nfs/dbraw/zinc/01/53/20/412015320.db2.gz TTWVQAIEQLAKPH-SNVBAGLBSA-N 1 0 208.261 -0.015 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCC(=O)N1CCOCC1 ZINC000662165878 412014561 /nfs/dbraw/zinc/01/45/61/412014561.db2.gz TZIIWNLUMMLLRS-SNVBAGLBSA-N 1 0 228.292 -0.628 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCCS(=O)(=O)NC ZINC000662165897 412014872 /nfs/dbraw/zinc/01/48/72/412014872.db2.gz VUQZFVOYXVLUTL-MRVPVSSYSA-N 1 0 222.310 -0.938 20 30 BBEDRO C=C[C@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000662165945 412014306 /nfs/dbraw/zinc/01/43/06/412014306.db2.gz QNJVOJDZWRZPHD-GHMZBOCLSA-N 1 0 214.309 -0.420 20 30 BBEDRO C=C[C@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000662165946 412014407 /nfs/dbraw/zinc/01/44/07/412014407.db2.gz QNJVOJDZWRZPHD-MNOVXSKESA-N 1 0 214.309 -0.420 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)Nc1cc(C)nn1C ZINC000662166257 411370536 /nfs/dbraw/zinc/37/05/36/411370536.db2.gz XSCQOBJGTOSHKS-SECBINFHSA-N 1 0 238.291 -0.196 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000662166851 412015677 /nfs/dbraw/zinc/01/56/77/412015677.db2.gz JMKCDONFOKAENV-DTWKUNHWSA-N 1 0 221.322 -0.196 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000662166856 412016612 /nfs/dbraw/zinc/01/66/12/412016612.db2.gz JMKCDONFOKAENV-RKDXNWHRSA-N 1 0 221.322 -0.196 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCCN1CCOCC1 ZINC000662166926 412015719 /nfs/dbraw/zinc/01/57/19/412015719.db2.gz LXMKNERFBZLKJA-LLVKDONJSA-N 1 0 214.309 -0.155 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NCCOCC ZINC000662167198 412016708 /nfs/dbraw/zinc/01/67/08/412016708.db2.gz VALQNRPABHRMMZ-SECBINFHSA-N 1 0 216.281 -0.724 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCC(=O)N(C)CC ZINC000662167282 411370371 /nfs/dbraw/zinc/37/03/71/411370371.db2.gz YJFZWYPBEQXJDP-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC000662167567 412016743 /nfs/dbraw/zinc/01/67/43/412016743.db2.gz KCZNSRPGEUQPDH-GRYCIOLGSA-N 1 0 245.319 -0.321 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC000662167568 412016768 /nfs/dbraw/zinc/01/67/68/412016768.db2.gz KCZNSRPGEUQPDH-IJLUTSLNSA-N 1 0 245.319 -0.321 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC000662167569 412016626 /nfs/dbraw/zinc/01/66/26/412016626.db2.gz KCZNSRPGEUQPDH-UTUOFQBUSA-N 1 0 245.319 -0.321 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC000662167570 412016630 /nfs/dbraw/zinc/01/66/30/412016630.db2.gz KCZNSRPGEUQPDH-WOPDTQHZSA-N 1 0 245.319 -0.321 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000662167770 412016562 /nfs/dbraw/zinc/01/65/62/412016562.db2.gz PJAHSZAKQZLSFZ-GARJFASQSA-N 1 0 242.319 -0.241 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000662167771 412016777 /nfs/dbraw/zinc/01/67/77/412016777.db2.gz PJAHSZAKQZLSFZ-GMTAPVOTSA-N 1 0 242.319 -0.241 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000662167772 412016846 /nfs/dbraw/zinc/01/68/46/412016846.db2.gz PJAHSZAKQZLSFZ-OUAUKWLOSA-N 1 0 242.319 -0.241 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N(CC)CC ZINC000662167909 412016895 /nfs/dbraw/zinc/01/68/95/412016895.db2.gz QXVGYZPBLWDKKL-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NCCCOC ZINC000662167949 411371351 /nfs/dbraw/zinc/37/13/51/411371351.db2.gz UNCUYQDUNLIKBB-SECBINFHSA-N 1 0 216.281 -0.724 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000662167963 411371686 /nfs/dbraw/zinc/37/16/86/411371686.db2.gz VPFOSLSWANFDRQ-NXEZZACHSA-N 1 0 228.292 -0.582 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000662167964 411372210 /nfs/dbraw/zinc/37/22/10/411372210.db2.gz VPFOSLSWANFDRQ-ZJUUUORDSA-N 1 0 228.292 -0.582 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000662167965 411372616 /nfs/dbraw/zinc/37/26/16/411372616.db2.gz VPGVZHLUWFFANF-NXEZZACHSA-N 1 0 203.282 -0.091 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000662167966 411371720 /nfs/dbraw/zinc/37/17/20/411371720.db2.gz VPGVZHLUWFFANF-ZJUUUORDSA-N 1 0 203.282 -0.091 20 30 BBEDRO C=C[C@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000662168316 412016015 /nfs/dbraw/zinc/01/60/15/412016015.db2.gz BBABIWHDTYSART-KOLCDFICSA-N 1 0 214.309 -0.422 20 30 BBEDRO C=C[C@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000662168317 412015541 /nfs/dbraw/zinc/01/55/41/412015541.db2.gz BBABIWHDTYSART-MWLCHTKSSA-N 1 0 214.309 -0.422 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000662168319 411372658 /nfs/dbraw/zinc/37/26/58/411372658.db2.gz BCIHEHCRFFRJKP-HTQZYQBOSA-N 1 0 207.295 -0.444 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000662168320 411371672 /nfs/dbraw/zinc/37/16/72/411371672.db2.gz BCIHEHCRFFRJKP-JGVFFNPUSA-N 1 0 207.295 -0.444 20 30 BBEDRO C=C[C@H](CO)NC[C@@H](O)C[N@@H+](C)CCOC ZINC000662168366 411371602 /nfs/dbraw/zinc/37/16/02/411371602.db2.gz CTAFIJIJDSRVIC-GHMZBOCLSA-N 1 0 232.324 -0.938 20 30 BBEDRO C=C[C@H](CO)NC[C@H](O)C[N@@H+](C)CCOC ZINC000662168367 411372523 /nfs/dbraw/zinc/37/25/23/411372523.db2.gz CTAFIJIJDSRVIC-MNOVXSKESA-N 1 0 232.324 -0.938 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CCOCC ZINC000662168374 411372167 /nfs/dbraw/zinc/37/21/67/411372167.db2.gz CZZQBYORJOCSMW-NXEZZACHSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CCOCC ZINC000662168375 411372434 /nfs/dbraw/zinc/37/24/34/411372434.db2.gz CZZQBYORJOCSMW-ZJUUUORDSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=C[C@H](CO)NC[C@@H](O)C[N@@H+](C)C(C)C ZINC000662168465 411371430 /nfs/dbraw/zinc/37/14/30/411371430.db2.gz HLXUGQYIKTXWAL-GHMZBOCLSA-N 1 0 216.325 -0.176 20 30 BBEDRO C=C[C@H](CO)NC[C@H](O)C[N@@H+](C)C(C)C ZINC000662168466 411371577 /nfs/dbraw/zinc/37/15/77/411371577.db2.gz HLXUGQYIKTXWAL-MNOVXSKESA-N 1 0 216.325 -0.176 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCS(=O)(=O)N(C)C ZINC000662168488 411371457 /nfs/dbraw/zinc/37/14/57/411371457.db2.gz IRLMDCVRYXKRNR-MRVPVSSYSA-N 1 0 222.310 -0.986 20 30 BBEDRO C=C[C@H](CO)NCc1nc(N(C)C)no1 ZINC000662168511 411371518 /nfs/dbraw/zinc/37/15/18/411371518.db2.gz JGHXDJNFNDQRGK-SSDOTTSWSA-N 1 0 212.253 -0.228 20 30 BBEDRO C=C[C@H](CO)N[C@@H]1CON(CC)C1=O ZINC000662168541 412015809 /nfs/dbraw/zinc/01/58/09/412015809.db2.gz KMRQMRAPUFRAEG-HTQZYQBOSA-N 1 0 200.238 -0.715 20 30 BBEDRO C=C[C@H](CO)N[C@H]1CON(CC)C1=O ZINC000662168542 412015973 /nfs/dbraw/zinc/01/59/73/412015973.db2.gz KMRQMRAPUFRAEG-SFYZADRCSA-N 1 0 200.238 -0.715 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCCNS(=O)(=O)CC ZINC000662168748 411372184 /nfs/dbraw/zinc/37/21/84/411372184.db2.gz SNBZTQXGQUXLKI-SECBINFHSA-N 1 0 236.337 -0.548 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCN1CCCS1(=O)=O ZINC000662168749 411372481 /nfs/dbraw/zinc/37/24/81/411372481.db2.gz SPOLLMMTUDZZSD-SECBINFHSA-N 1 0 234.321 -0.842 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000662168758 412017798 /nfs/dbraw/zinc/01/77/98/412017798.db2.gz SZSZWMHTLXVKCH-UTUOFQBUSA-N 1 0 226.320 -0.014 20 30 BBEDRO C=C[C@H](CO)NC[C@@H](O)C[N@@H+](C)CC ZINC000662168790 411372189 /nfs/dbraw/zinc/37/21/89/411372189.db2.gz VATILCIADJNALB-NXEZZACHSA-N 1 0 202.298 -0.565 20 30 BBEDRO C=C[C@H](CO)NC[C@H](O)C[N@@H+](C)CC ZINC000662168791 411371842 /nfs/dbraw/zinc/37/18/42/411371842.db2.gz VATILCIADJNALB-ZJUUUORDSA-N 1 0 202.298 -0.565 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCN1C(=O)CN(C)C1=O ZINC000662168818 411372464 /nfs/dbraw/zinc/37/24/64/411372464.db2.gz WLKTWESGJKZBII-MRVPVSSYSA-N 1 0 227.264 -0.983 20 30 BBEDRO C=CCN1CC[C@@H]([NH2+][C@H](C=C)CO)C1=O ZINC000662168847 412017983 /nfs/dbraw/zinc/01/79/83/412017983.db2.gz XQEPMBWEQODJKQ-NXEZZACHSA-N 1 0 210.277 -0.090 20 30 BBEDRO C=CCN1CC[C@H]([NH2+][C@H](C=C)CO)C1=O ZINC000662168848 412017942 /nfs/dbraw/zinc/01/79/42/412017942.db2.gz XQEPMBWEQODJKQ-ZJUUUORDSA-N 1 0 210.277 -0.090 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H](C)CN1CCOCC1 ZINC000662168865 412017926 /nfs/dbraw/zinc/01/79/26/412017926.db2.gz YBJZTBZOKYBOFL-GHMZBOCLSA-N 1 0 214.309 -0.156 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H](C)CN1CCOCC1 ZINC000662168866 412017895 /nfs/dbraw/zinc/01/78/95/412017895.db2.gz YBJZTBZOKYBOFL-WDEREUQCSA-N 1 0 214.309 -0.156 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCCC(=O)N(C)C ZINC000662168957 411373755 /nfs/dbraw/zinc/37/37/55/411373755.db2.gz ZWFYJOAGZSUKGB-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCCCN(CC[NH3+])C[C@H](O)CO ZINC000662288831 487539797 /nfs/dbraw/zinc/53/97/97/487539797.db2.gz LOPBFXTZWINGIV-JTQLQIEISA-N 1 0 202.298 -0.434 20 30 BBEDRO C=CCCCN(CC[NH3+])C[C@@H](O)CO ZINC000662288832 487539029 /nfs/dbraw/zinc/53/90/29/487539029.db2.gz LOPBFXTZWINGIV-SNVBAGLBSA-N 1 0 202.298 -0.434 20 30 BBEDRO C=CCNC(=O)CN1CC2CC1(C[NH3+])C2 ZINC000662307388 412093163 /nfs/dbraw/zinc/09/31/63/412093163.db2.gz HIIASUQXSKRGMI-UHFFFAOYSA-N 1 0 209.293 -0.288 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662322715 412100990 /nfs/dbraw/zinc/10/09/90/412100990.db2.gz XHQHBZUIKHYPMA-RKDXNWHRSA-N 1 0 215.272 -0.340 20 30 BBEDRO C=CC[C@]1(C(=O)N2CCNC(=O)C2)CCC[NH2+]1 ZINC000662441663 412176710 /nfs/dbraw/zinc/17/67/10/412176710.db2.gz AUTLNFHJQIZQMP-GFCCVEGCSA-N 1 0 237.303 -0.357 20 30 BBEDRO C=CC[C@@]1(C(=O)N2CCNC(=O)C2)CCC[NH2+]1 ZINC000662441664 412176034 /nfs/dbraw/zinc/17/60/34/412176034.db2.gz AUTLNFHJQIZQMP-LBPRGKRZSA-N 1 0 237.303 -0.357 20 30 BBEDRO C=CC[C@]1(C(=O)NCCNC(C)=O)CCC[NH2+]1 ZINC000662444257 412178865 /nfs/dbraw/zinc/17/88/65/412178865.db2.gz FPWUTRWEHKMVDI-GFCCVEGCSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CC[C@@]1(C(=O)NCCNC(C)=O)CCC[NH2+]1 ZINC000662444259 412177666 /nfs/dbraw/zinc/17/76/66/412177666.db2.gz FPWUTRWEHKMVDI-LBPRGKRZSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CC[C@]1(C(=O)NCC(=O)NC)CCC[NH2+]1 ZINC000662448906 412178102 /nfs/dbraw/zinc/17/81/02/412178102.db2.gz GQMUFGVNQDXVNK-LLVKDONJSA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CC[C@@]1(C(=O)NCC(=O)NC)CCC[NH2+]1 ZINC000662448907 412177700 /nfs/dbraw/zinc/17/77/00/412177700.db2.gz GQMUFGVNQDXVNK-NSHDSACASA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CC[C@]1(C(=O)NCC(=O)N(C)C)CCC[NH2+]1 ZINC000662450428 412180015 /nfs/dbraw/zinc/18/00/15/412180015.db2.gz PYDPWVKVJIDNGG-GFCCVEGCSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CC[C@@]1(C(=O)NCC(=O)N(C)C)CCC[NH2+]1 ZINC000662450429 412179794 /nfs/dbraw/zinc/17/97/94/412179794.db2.gz PYDPWVKVJIDNGG-LBPRGKRZSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=CC[C@]1(C(=O)NCC(=O)NCC)CCC[NH2+]1 ZINC000662453262 412179370 /nfs/dbraw/zinc/17/93/70/412179370.db2.gz WDYVLJAYCIZJGS-GFCCVEGCSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CC[C@@]1(C(=O)NCC(=O)NCC)CCC[NH2+]1 ZINC000662453263 412180338 /nfs/dbraw/zinc/18/03/38/412180338.db2.gz WDYVLJAYCIZJGS-LBPRGKRZSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CC[C@]1(C(=O)N[C@@H](C)C(N)=O)CCC[NH2+]1 ZINC000662457386 412181184 /nfs/dbraw/zinc/18/11/84/412181184.db2.gz MVMVYUWUVCZCCK-GZMMTYOYSA-N 1 0 225.292 -0.325 20 30 BBEDRO C=CC[C@@]1(C(=O)N[C@@H](C)C(N)=O)CCC[NH2+]1 ZINC000662457388 412182146 /nfs/dbraw/zinc/18/21/46/412182146.db2.gz MVMVYUWUVCZCCK-KWQFWETISA-N 1 0 225.292 -0.325 20 30 BBEDRO C=CC[C@]1(C(=O)NCCC(N)=O)CCC[NH2+]1 ZINC000662469313 412185983 /nfs/dbraw/zinc/18/59/83/412185983.db2.gz RIZTYTHZHQREQZ-LLVKDONJSA-N 1 0 225.292 -0.324 20 30 BBEDRO C=CC[C@@]1(C(=O)NCCC(N)=O)CCC[NH2+]1 ZINC000662469314 412185838 /nfs/dbraw/zinc/18/58/38/412185838.db2.gz RIZTYTHZHQREQZ-NSHDSACASA-N 1 0 225.292 -0.324 20 30 BBEDRO C=CC[C@@]1(C(=O)NCC(N)=O)CCC[NH2+]1 ZINC000662492622 412194317 /nfs/dbraw/zinc/19/43/17/412194317.db2.gz MYZBQCIVTGDIJB-JTQLQIEISA-N 1 0 211.265 -0.714 20 30 BBEDRO C=CC[C@]1(C(=O)NCC(N)=O)CCC[NH2+]1 ZINC000662492623 412194459 /nfs/dbraw/zinc/19/44/59/412194459.db2.gz MYZBQCIVTGDIJB-SNVBAGLBSA-N 1 0 211.265 -0.714 20 30 BBEDRO C=CC[C@]1(C(=O)NCCC(=O)NC)CCC[NH2+]1 ZINC000662501392 412196926 /nfs/dbraw/zinc/19/69/26/412196926.db2.gz JIJUPYLNCDJRRB-GFCCVEGCSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CC[C@@]1(C(=O)NCCC(=O)NC)CCC[NH2+]1 ZINC000662501393 412196481 /nfs/dbraw/zinc/19/64/81/412196481.db2.gz JIJUPYLNCDJRRB-LBPRGKRZSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662512875 412200806 /nfs/dbraw/zinc/20/08/06/412200806.db2.gz MKPCEOZCXIMXQC-VIFPVBQESA-N 1 0 243.307 -0.843 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H](CC)[NH2+]C ZINC000662513303 412200860 /nfs/dbraw/zinc/20/08/60/412200860.db2.gz SDOAVGWFLDZFCO-MRVPVSSYSA-N 1 0 213.281 -0.597 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H](CC)[NH2+]C ZINC000662513305 412200716 /nfs/dbraw/zinc/20/07/16/412200716.db2.gz SDOAVGWFLDZFCO-QMMMGPOBSA-N 1 0 213.281 -0.597 20 30 BBEDRO C=CC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662596183 412233764 /nfs/dbraw/zinc/23/37/64/412233764.db2.gz ZPEBNANAWHUIFS-UHFFFAOYSA-N 1 0 210.277 -0.255 20 30 BBEDRO C=CC[C@]1(C(=O)N[C@H](C)C(=O)NC)CCC[NH2+]1 ZINC000662610791 412240488 /nfs/dbraw/zinc/24/04/88/412240488.db2.gz DJSIXYDCFOZWOL-BXKDBHETSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CC[C@@]1(C(=O)N[C@H](C)C(=O)NC)CCC[NH2+]1 ZINC000662610792 412240604 /nfs/dbraw/zinc/24/06/04/412240604.db2.gz DJSIXYDCFOZWOL-SKDRFNHKSA-N 1 0 239.319 -0.065 20 30 BBEDRO C=CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662625697 412246426 /nfs/dbraw/zinc/24/64/26/412246426.db2.gz AEOHFLGPDWYZNE-JTQLQIEISA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662625698 412246250 /nfs/dbraw/zinc/24/62/50/412246250.db2.gz AEOHFLGPDWYZNE-SNVBAGLBSA-N 1 0 239.319 -0.063 20 30 BBEDRO C=CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662625749 412246130 /nfs/dbraw/zinc/24/61/30/412246130.db2.gz BEBBRMKFCWIXEZ-ONGXEEELSA-N 1 0 210.277 -0.085 20 30 BBEDRO C=CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662629119 412248846 /nfs/dbraw/zinc/24/88/46/412248846.db2.gz ZVLIIDHADRVEBR-SECBINFHSA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662629121 412248979 /nfs/dbraw/zinc/24/89/79/412248979.db2.gz ZVLIIDHADRVEBR-VIFPVBQESA-N 1 0 225.292 -0.453 20 30 BBEDRO C=CC[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000662631339 412250028 /nfs/dbraw/zinc/25/00/28/412250028.db2.gz RNJLHBHNUGUVKB-JTQLQIEISA-N 1 0 239.319 -0.124 20 30 BBEDRO C=CC[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])C1 ZINC000662631340 412250573 /nfs/dbraw/zinc/25/05/73/412250573.db2.gz RNJLHBHNUGUVKB-SNVBAGLBSA-N 1 0 239.319 -0.124 20 30 BBEDRO C=CCOCCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000662662698 412262019 /nfs/dbraw/zinc/26/20/19/412262019.db2.gz CBVHCBXQPUNSDF-JTQLQIEISA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000662662699 412262262 /nfs/dbraw/zinc/26/22/62/412262262.db2.gz CBVHCBXQPUNSDF-SNVBAGLBSA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCOCCCNC(=O)COCC[NH3+] ZINC000662664327 412263470 /nfs/dbraw/zinc/26/34/70/412263470.db2.gz RLEOSAHCTCFKJI-UHFFFAOYSA-N 1 0 216.281 -0.329 20 30 BBEDRO C=CCOCCCNC(=O)[C@@H]([NH3+])COC ZINC000662664918 412264008 /nfs/dbraw/zinc/26/40/08/412264008.db2.gz XEIIHTMVXACGCM-VIFPVBQESA-N 1 0 216.281 -0.331 20 30 BBEDRO C=CCOCCCNC(=O)[C@H](N)CC[NH+](C)C ZINC000662665025 412263157 /nfs/dbraw/zinc/26/31/57/412263157.db2.gz ZEAWGOUBPTZHNS-LLVKDONJSA-N 1 0 243.351 -0.026 20 30 BBEDRO C=CCOCCCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000662665026 409821534 /nfs/dbraw/zinc/82/15/34/409821534.db2.gz ZEAWGOUBPTZHNS-NSHDSACASA-N 1 0 243.351 -0.026 20 30 BBEDRO C=CCOCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662711519 412279852 /nfs/dbraw/zinc/27/98/52/412279852.db2.gz ODQDLXVKQHTYHZ-JQWIXIFHSA-N 1 0 240.303 -0.459 20 30 BBEDRO C=CCOCCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000662713752 412280069 /nfs/dbraw/zinc/28/00/69/412280069.db2.gz YJZAHEQSYRXFBV-JTQLQIEISA-N 1 0 229.324 -0.416 20 30 BBEDRO C=CCOCCNC(=O)[C@H](N)CC[NH+](C)C ZINC000662713759 412279782 /nfs/dbraw/zinc/27/97/82/412279782.db2.gz YJZAHEQSYRXFBV-SNVBAGLBSA-N 1 0 229.324 -0.416 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662792850 412304232 /nfs/dbraw/zinc/30/42/32/412304232.db2.gz TXYQSMQPIARJRG-JTQLQIEISA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662792853 412304049 /nfs/dbraw/zinc/30/40/49/412304049.db2.gz TXYQSMQPIARJRG-SNVBAGLBSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662793070 412305503 /nfs/dbraw/zinc/30/55/03/412305503.db2.gz USCCIHNMDULETN-ZKCHVHJHSA-N 1 0 211.265 -0.858 20 30 BBEDRO C=CCn1cc(CNC(=O)CC2([NH3+])CC2)nn1 ZINC000662816794 412309810 /nfs/dbraw/zinc/30/98/10/412309810.db2.gz DNRWUWIMOSOAMX-UHFFFAOYSA-N 1 0 235.291 -0.038 20 30 BBEDRO C=CCn1cc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)nn1 ZINC000662817503 409932322 /nfs/dbraw/zinc/93/23/22/409932322.db2.gz IHKAUKLUTFEOBY-KYZUINATSA-N 1 0 235.291 -0.182 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662818935 412309933 /nfs/dbraw/zinc/30/99/33/412309933.db2.gz GBZLUZUIYPTRAU-IUCAKERBSA-N 1 0 226.276 -0.972 20 30 BBEDRO C=CC[C@@]1(C(=O)N[C@H]2CCNC2=O)CCC[NH2+]1 ZINC000662839421 412318267 /nfs/dbraw/zinc/31/82/67/412318267.db2.gz RQXZJXFOAIIKPD-CABZTGNLSA-N 1 0 237.303 -0.311 20 30 BBEDRO C=CC[C@]1(C(=O)N[C@H]2CCNC2=O)CCC[NH2+]1 ZINC000662839423 412318128 /nfs/dbraw/zinc/31/81/28/412318128.db2.gz RQXZJXFOAIIKPD-JOYOIKCWSA-N 1 0 237.303 -0.311 20 30 BBEDRO C=CCN(C(=O)CNC(=O)C[NH3+])[C@H](C)COC ZINC000662856045 412325246 /nfs/dbraw/zinc/32/52/46/412325246.db2.gz YJSVSZYCPFYFBM-SECBINFHSA-N 1 0 243.307 -0.889 20 30 BBEDRO C=CCN(C(=O)CNC(=O)C[NH3+])[C@@H](C)COC ZINC000662856088 412325785 /nfs/dbraw/zinc/32/57/85/412325785.db2.gz YJSVSZYCPFYFBM-VIFPVBQESA-N 1 0 243.307 -0.889 20 30 BBEDRO C=CCOCCCNC(=O)C1(O)C[NH2+]C1 ZINC000662872093 409960206 /nfs/dbraw/zinc/96/02/06/409960206.db2.gz ATFWUPPIGYPADO-UHFFFAOYSA-N 1 0 214.265 -0.970 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662918898 412345635 /nfs/dbraw/zinc/34/56/35/412345635.db2.gz JKKKCCQWHLBPBC-UHFFFAOYSA-N 1 0 239.319 -0.006 20 30 BBEDRO C=CCOCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662921092 412345821 /nfs/dbraw/zinc/34/58/21/412345821.db2.gz JFYHDEQHKHNBPT-NXEZZACHSA-N 1 0 228.292 -0.331 20 30 BBEDRO C=CCOCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662921093 412346177 /nfs/dbraw/zinc/34/61/77/412346177.db2.gz JFYHDEQHKHNBPT-UWVGGRQHSA-N 1 0 228.292 -0.331 20 30 BBEDRO C=CCOCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662921094 412346000 /nfs/dbraw/zinc/34/60/00/412346000.db2.gz JFYHDEQHKHNBPT-VHSXEESVSA-N 1 0 228.292 -0.331 20 30 BBEDRO C=CCOCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662921095 412346146 /nfs/dbraw/zinc/34/61/46/412346146.db2.gz JFYHDEQHKHNBPT-ZJUUUORDSA-N 1 0 228.292 -0.331 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662921410 412346046 /nfs/dbraw/zinc/34/60/46/412346046.db2.gz KMMNPQBRJJBETG-UHFFFAOYSA-N 1 0 213.281 -0.562 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662922071 412345709 /nfs/dbraw/zinc/34/57/09/412345709.db2.gz ODUQLFXGEQPHMG-UHFFFAOYSA-N 1 0 227.308 -0.174 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662922247 412346160 /nfs/dbraw/zinc/34/61/60/412346160.db2.gz PYCRRNIYMKELCW-RKDXNWHRSA-N 1 0 243.282 -0.472 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662922253 412345584 /nfs/dbraw/zinc/34/55/84/412345584.db2.gz KBTAEZXJAYSLJX-UHFFFAOYSA-N 1 0 237.303 -0.420 20 30 BBEDRO C=CCOCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662922951 412345667 /nfs/dbraw/zinc/34/56/67/412345667.db2.gz ZGFPASXZUSIZLT-MYJAWHEDSA-N 1 0 210.277 -0.229 20 30 BBEDRO C=CCn1cc(C(=O)NCC23CC(C2)C[NH2+]3)nn1 ZINC000662923326 412345622 /nfs/dbraw/zinc/34/56/22/412345622.db2.gz LDBQDYLNSJJOCK-UHFFFAOYSA-N 1 0 247.302 -0.054 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662941889 412351551 /nfs/dbraw/zinc/35/15/51/412351551.db2.gz RPWGHVYPHBZHHT-UHFFFAOYSA-N 1 0 227.308 -0.172 20 30 BBEDRO C=CCCC(C)(C)NC(=O)CNC(=O)C[NH3+] ZINC000662951976 412352534 /nfs/dbraw/zinc/35/25/34/412352534.db2.gz BDTOYFMBJUQQHY-UHFFFAOYSA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CCn1cc(C(=O)N[C@H](C)C[NH2+]C)nn1 ZINC000662968068 412359496 /nfs/dbraw/zinc/35/94/96/412359496.db2.gz QZUUYBMYNQHPJH-MRVPVSSYSA-N 1 0 223.280 -0.198 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H](C)C[NH2+]C)nn1 ZINC000662968069 412359912 /nfs/dbraw/zinc/35/99/12/412359912.db2.gz QZUUYBMYNQHPJH-QMMMGPOBSA-N 1 0 223.280 -0.198 20 30 BBEDRO C=CCn1cc(C(=O)N[C@]2(C)CC[NH2+]C2)nn1 ZINC000663012966 412371072 /nfs/dbraw/zinc/37/10/72/412371072.db2.gz GDEPXJYZOCTTCQ-LLVKDONJSA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)nn1 ZINC000663012967 412371204 /nfs/dbraw/zinc/37/12/04/412371204.db2.gz GDEPXJYZOCTTCQ-NSHDSACASA-N 1 0 235.291 -0.054 20 30 BBEDRO C=CCOCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663217994 412392955 /nfs/dbraw/zinc/39/29/55/412392955.db2.gz VCAQOYFQCGFFEV-UHFFFAOYSA-N 1 0 226.276 -0.610 20 30 BBEDRO C=CCCOCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663487994 411669578 /nfs/dbraw/zinc/66/95/78/411669578.db2.gz NQEIMAXZFKBXKP-UHFFFAOYSA-N 1 0 240.303 -0.220 20 30 BBEDRO CC#CCCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664702841 412012133 /nfs/dbraw/zinc/01/21/33/412012133.db2.gz DEQIUMVZCXLHDH-QWRGUYRKSA-N 1 0 239.319 -0.284 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665037576 412063478 /nfs/dbraw/zinc/06/34/78/412063478.db2.gz BQYKYNIDAUXXCC-AEJSXWLSSA-N 1 0 228.292 -0.766 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665037578 412062594 /nfs/dbraw/zinc/06/25/94/412062594.db2.gz BQYKYNIDAUXXCC-BBBLOLIVSA-N 1 0 228.292 -0.766 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCCC[NH+](C)C ZINC000665111357 412099417 /nfs/dbraw/zinc/09/94/17/412099417.db2.gz QKTNCQPNAQHBKT-JTQLQIEISA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCCC[NH+](C)C ZINC000665111358 412099758 /nfs/dbraw/zinc/09/97/58/412099758.db2.gz QKTNCQPNAQHBKT-SNVBAGLBSA-N 1 0 200.282 -0.009 20 30 BBEDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC#CCO ZINC000665488852 412336682 /nfs/dbraw/zinc/33/66/82/412336682.db2.gz RDVXDQQZLPKUAR-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000665489307 412336969 /nfs/dbraw/zinc/33/69/69/412336969.db2.gz NQPALRMNBMCMEN-LLVKDONJSA-N 1 0 241.335 -0.713 20 30 BBEDRO C=C[C@H](O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000665489308 412336745 /nfs/dbraw/zinc/33/67/45/412336745.db2.gz NQPALRMNBMCMEN-NSHDSACASA-N 1 0 241.335 -0.713 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCCN1CC[NH+](C)CC1 ZINC000665771466 487952142 /nfs/dbraw/zinc/95/21/42/487952142.db2.gz FXOHUNRRKZNNQS-GFCCVEGCSA-N 1 0 241.335 -0.713 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCCN1CC[NH+](C)CC1 ZINC000665771467 487952149 /nfs/dbraw/zinc/95/21/49/487952149.db2.gz FXOHUNRRKZNNQS-LBPRGKRZSA-N 1 0 241.335 -0.713 20 30 BBEDRO C=CCCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000665942416 487610375 /nfs/dbraw/zinc/61/03/75/487610375.db2.gz GDYDUBBFQDQSSH-UWVGGRQHSA-N 1 0 227.308 -0.121 20 30 BBEDRO C=CCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000665944805 487615898 /nfs/dbraw/zinc/61/58/98/487615898.db2.gz UCILFPWFWGXIJD-LLVKDONJSA-N 1 0 227.308 -0.072 20 30 BBEDRO C=CCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000665944807 487616003 /nfs/dbraw/zinc/61/60/03/487616003.db2.gz UCILFPWFWGXIJD-NSHDSACASA-N 1 0 227.308 -0.072 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1CCN(CCO)CC1 ZINC000666190764 487492972 /nfs/dbraw/zinc/49/29/72/487492972.db2.gz YMGWXETUKHNAHM-NSHDSACASA-N 1 0 228.292 -0.940 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000666243008 487864682 /nfs/dbraw/zinc/86/46/82/487864682.db2.gz AAFRXRMUXNNQRZ-PSASIEDQSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000666243009 487864650 /nfs/dbraw/zinc/86/46/50/487864650.db2.gz AAFRXRMUXNNQRZ-SCZZXKLOSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000666911166 487902577 /nfs/dbraw/zinc/90/25/77/487902577.db2.gz PXIZVFCNSYPMNK-GXSJLCMTSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000666911171 487902547 /nfs/dbraw/zinc/90/25/47/487902547.db2.gz PXIZVFCNSYPMNK-KOLCDFICSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000666911172 487902633 /nfs/dbraw/zinc/90/26/33/487902633.db2.gz PXIZVFCNSYPMNK-MWLCHTKSSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000666911174 487903380 /nfs/dbraw/zinc/90/33/80/487903380.db2.gz PXIZVFCNSYPMNK-ONGXEEELSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667182744 487955168 /nfs/dbraw/zinc/95/51/68/487955168.db2.gz HZMKJKSJAIGYEH-PSASIEDQSA-N 1 0 210.277 -0.114 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667182745 487955299 /nfs/dbraw/zinc/95/52/99/487955299.db2.gz HZMKJKSJAIGYEH-SCZZXKLOSA-N 1 0 210.277 -0.114 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000667182746 487954730 /nfs/dbraw/zinc/95/47/30/487954730.db2.gz HZMKJKSJAIGYEH-WCBMZHEXSA-N 1 0 210.277 -0.114 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000667182747 487954949 /nfs/dbraw/zinc/95/49/49/487954949.db2.gz HZMKJKSJAIGYEH-WPRPVWTQSA-N 1 0 210.277 -0.114 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000667196296 487956657 /nfs/dbraw/zinc/95/66/57/487956657.db2.gz UGIMSIKRWFDIOR-LLVKDONJSA-N 1 0 242.319 -0.286 20 30 BBEDRO C=C[C@H](O)C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000667196297 487956882 /nfs/dbraw/zinc/95/68/82/487956882.db2.gz UGIMSIKRWFDIOR-NSHDSACASA-N 1 0 242.319 -0.286 20 30 BBEDRO C=C[C@@H](O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000667617592 488060857 /nfs/dbraw/zinc/06/08/57/488060857.db2.gz WPEPRXNZTILUMS-SECBINFHSA-N 1 0 238.291 -0.070 20 30 BBEDRO C=C[C@H](O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000667617593 488060868 /nfs/dbraw/zinc/06/08/68/488060868.db2.gz WPEPRXNZTILUMS-VIFPVBQESA-N 1 0 238.291 -0.070 20 30 BBEDRO C=C[C@H](O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000667771467 488116413 /nfs/dbraw/zinc/11/64/13/488116413.db2.gz ANVBOEVZMQSKLH-JTQLQIEISA-N 1 0 238.291 -0.070 20 30 BBEDRO C=C[C@@H](O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000667771468 488116481 /nfs/dbraw/zinc/11/64/81/488116481.db2.gz ANVBOEVZMQSKLH-SNVBAGLBSA-N 1 0 238.291 -0.070 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000667815879 488118831 /nfs/dbraw/zinc/11/88/31/488118831.db2.gz FRGGQAJBHVZUIH-VHSXEESVSA-N 1 0 228.292 -0.630 20 30 BBEDRO C=C[C@H](O)C(=O)NCCN1CCO[C@H](C)C1 ZINC000667815880 488118933 /nfs/dbraw/zinc/11/89/33/488118933.db2.gz FRGGQAJBHVZUIH-ZJUUUORDSA-N 1 0 228.292 -0.630 20 30 BBEDRO C=C[C@H](O)C(=O)NCC1CC[NH+](C)CC1 ZINC000667831408 488134879 /nfs/dbraw/zinc/13/48/79/488134879.db2.gz XBUVLZQLHOKSCD-JTQLQIEISA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC1CC[NH+](C)CC1 ZINC000667831409 488134828 /nfs/dbraw/zinc/13/48/28/488134828.db2.gz XBUVLZQLHOKSCD-SNVBAGLBSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](C)CCOC ZINC000667995091 488179421 /nfs/dbraw/zinc/17/94/21/488179421.db2.gz ZVULGYJGEQVAEC-LLVKDONJSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](C)CCOC ZINC000667995092 488179250 /nfs/dbraw/zinc/17/92/50/488179250.db2.gz ZVULGYJGEQVAEC-NSHDSACASA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000668262175 487570818 /nfs/dbraw/zinc/57/08/18/487570818.db2.gz JAHIXUXFPSNECP-GHMZBOCLSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000668262176 487571077 /nfs/dbraw/zinc/57/10/77/487571077.db2.gz JAHIXUXFPSNECP-MNOVXSKESA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000668262177 487571101 /nfs/dbraw/zinc/57/11/01/487571101.db2.gz JAHIXUXFPSNECP-QWRGUYRKSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000668262178 487570741 /nfs/dbraw/zinc/57/07/41/487570741.db2.gz JAHIXUXFPSNECP-WDEREUQCSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N(CCOC)CC[NH+](C)C ZINC000668309297 487638936 /nfs/dbraw/zinc/63/89/36/487638936.db2.gz XGQZOCUMXOFFOD-GFCCVEGCSA-N 1 0 244.335 -0.040 20 30 BBEDRO C=C[C@](C)(O)C(=O)N(CCOC)CC[NH+](C)C ZINC000668309298 487639337 /nfs/dbraw/zinc/63/93/37/487639337.db2.gz XGQZOCUMXOFFOD-LBPRGKRZSA-N 1 0 244.335 -0.040 20 30 BBEDRO C=C[C@H](O)C(=O)N(CCOC)CC[NH+](C)C ZINC000668309795 487639331 /nfs/dbraw/zinc/63/93/31/487639331.db2.gz FEYWHNBSPLHQKV-JTQLQIEISA-N 1 0 230.308 -0.430 20 30 BBEDRO C=C[C@@H](O)C(=O)N(CCOC)CC[NH+](C)C ZINC000668309796 487639004 /nfs/dbraw/zinc/63/90/04/487639004.db2.gz FEYWHNBSPLHQKV-SNVBAGLBSA-N 1 0 230.308 -0.430 20 30 BBEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N2)CC1 ZINC000668368835 487658041 /nfs/dbraw/zinc/65/80/41/487658041.db2.gz IFFQJAHXFXPKSW-JTQLQIEISA-N 1 0 237.303 -0.359 20 30 BBEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N2)CC1 ZINC000668368836 487658023 /nfs/dbraw/zinc/65/80/23/487658023.db2.gz IFFQJAHXFXPKSW-SNVBAGLBSA-N 1 0 237.303 -0.359 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000668373731 487660170 /nfs/dbraw/zinc/66/01/70/487660170.db2.gz IPHWPDYLTPAAFG-GHMZBOCLSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000668373732 487660221 /nfs/dbraw/zinc/66/02/21/487660221.db2.gz IPHWPDYLTPAAFG-MNOVXSKESA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000668373733 487660231 /nfs/dbraw/zinc/66/02/31/487660231.db2.gz IPHWPDYLTPAAFG-QWRGUYRKSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000668373734 487660338 /nfs/dbraw/zinc/66/03/38/487660338.db2.gz IPHWPDYLTPAAFG-WDEREUQCSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000668379465 487664989 /nfs/dbraw/zinc/66/49/89/487664989.db2.gz DBTQEPWIFYHVSO-JTQLQIEISA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000668379466 487664858 /nfs/dbraw/zinc/66/48/58/487664858.db2.gz DBTQEPWIFYHVSO-SNVBAGLBSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000668435749 487749835 /nfs/dbraw/zinc/74/98/35/487749835.db2.gz NNKBJPJQMQTHGP-CMPLNLGQSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000668435750 487749696 /nfs/dbraw/zinc/74/96/96/487749696.db2.gz NNKBJPJQMQTHGP-JQWIXIFHSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000668435751 487750048 /nfs/dbraw/zinc/75/00/48/487750048.db2.gz NNKBJPJQMQTHGP-PWSUYJOCSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000668435752 487749648 /nfs/dbraw/zinc/74/96/48/487749648.db2.gz NNKBJPJQMQTHGP-ZYHUDNBSSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000668436476 487752140 /nfs/dbraw/zinc/75/21/40/487752140.db2.gz GMJRYPCBEORKCP-NXEZZACHSA-N 1 0 228.292 -0.630 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000668436477 487751900 /nfs/dbraw/zinc/75/19/00/487751900.db2.gz GMJRYPCBEORKCP-UWVGGRQHSA-N 1 0 228.292 -0.630 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000668436478 487751631 /nfs/dbraw/zinc/75/16/31/487751631.db2.gz GMJRYPCBEORKCP-VHSXEESVSA-N 1 0 228.292 -0.630 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000668436479 487751673 /nfs/dbraw/zinc/75/16/73/487751673.db2.gz GMJRYPCBEORKCP-ZJUUUORDSA-N 1 0 228.292 -0.630 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000668461883 487784731 /nfs/dbraw/zinc/78/47/31/487784731.db2.gz HIVONDVFFRYBIV-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000668461884 487784921 /nfs/dbraw/zinc/78/49/21/487784921.db2.gz HIVONDVFFRYBIV-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000668461885 487784907 /nfs/dbraw/zinc/78/49/07/487784907.db2.gz HIVONDVFFRYBIV-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000668461886 487785197 /nfs/dbraw/zinc/78/51/97/487785197.db2.gz HIVONDVFFRYBIV-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000668581630 487963268 /nfs/dbraw/zinc/96/32/68/487963268.db2.gz IEYPSOUJVVFTPK-CMPLNLGQSA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000668581631 487962931 /nfs/dbraw/zinc/96/29/31/487962931.db2.gz IEYPSOUJVVFTPK-JQWIXIFHSA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000668581632 487962680 /nfs/dbraw/zinc/96/26/80/487962680.db2.gz IEYPSOUJVVFTPK-PWSUYJOCSA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000668581633 487962885 /nfs/dbraw/zinc/96/28/85/487962885.db2.gz IEYPSOUJVVFTPK-ZYHUDNBSSA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCCC[NH+](C)C ZINC000668680654 488109166 /nfs/dbraw/zinc/10/91/66/488109166.db2.gz BCYYHZSUEIDYLX-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@H](O)C(=O)NCCCC[NH+](C)C ZINC000668680656 488109354 /nfs/dbraw/zinc/10/93/54/488109354.db2.gz BCYYHZSUEIDYLX-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000668695612 488124548 /nfs/dbraw/zinc/12/45/48/488124548.db2.gz HHCSATHQODOBFO-GHMZBOCLSA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000668695613 488125100 /nfs/dbraw/zinc/12/51/00/488125100.db2.gz HHCSATHQODOBFO-MNOVXSKESA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000668695615 488125117 /nfs/dbraw/zinc/12/51/17/488125117.db2.gz HHCSATHQODOBFO-QWRGUYRKSA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000668695616 488125163 /nfs/dbraw/zinc/12/51/63/488125163.db2.gz HHCSATHQODOBFO-WDEREUQCSA-N 1 0 241.335 -0.715 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](C)C(C)C ZINC000668703664 488141516 /nfs/dbraw/zinc/14/15/16/488141516.db2.gz ICFDSLVDGIVMCF-SECBINFHSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[N@@H+](C)C(C)C ZINC000668703665 488141534 /nfs/dbraw/zinc/14/15/34/488141534.db2.gz ICFDSLVDGIVMCF-VIFPVBQESA-N 1 0 200.282 -0.010 20 30 BBEDRO C=C[C@H](O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000668758820 487492190 /nfs/dbraw/zinc/49/21/90/487492190.db2.gz KFLBRVGLHCJOOS-JTQLQIEISA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000668758821 487492494 /nfs/dbraw/zinc/49/24/94/487492494.db2.gz KFLBRVGLHCJOOS-SNVBAGLBSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000668895908 487725413 /nfs/dbraw/zinc/72/54/13/487725413.db2.gz RXBQXCFUVLJCGP-LLVKDONJSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@H](O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000668895910 487725445 /nfs/dbraw/zinc/72/54/45/487725445.db2.gz RXBQXCFUVLJCGP-NSHDSACASA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[N@@H+](C)CCCOC ZINC000669186136 488058134 /nfs/dbraw/zinc/05/81/34/488058134.db2.gz UOIRZEPVEDETPZ-JTQLQIEISA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](C)CCCOC ZINC000669186137 488058172 /nfs/dbraw/zinc/05/81/72/488058172.db2.gz UOIRZEPVEDETPZ-SNVBAGLBSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=CCOCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669555211 488216089 /nfs/dbraw/zinc/21/60/89/488216089.db2.gz IRNLDWOGPHWGGU-MYJAWHEDSA-N 1 0 225.292 -0.294 20 30 BBEDRO C=CCOCCNC(=O)N1CC[NH2+]CC1 ZINC000669555338 488216527 /nfs/dbraw/zinc/21/65/27/488216527.db2.gz QTVAAXCVFKDUST-UHFFFAOYSA-N 1 0 213.281 -0.196 20 30 BBEDRO CC[N@@H+](CC#CCOC)CCOCCO ZINC000669695894 487688302 /nfs/dbraw/zinc/68/83/02/487688302.db2.gz SIRASQXIRLFGKQ-UHFFFAOYSA-N 1 0 215.293 -0.033 20 30 BBEDRO COCC#CC[N@H+](C)CCOCCO ZINC000669707490 487711013 /nfs/dbraw/zinc/71/10/13/487711013.db2.gz PISJKPROWQONSJ-UHFFFAOYSA-N 1 0 201.266 -0.423 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+](C)CCOCCO ZINC000669707500 487710274 /nfs/dbraw/zinc/71/02/74/487710274.db2.gz VRJCDSSAVKPXKA-JTQLQIEISA-N 1 0 203.282 -0.136 20 30 BBEDRO C=C(C)[C@@H](CO)[N@H+](C)CCOCCO ZINC000669707501 487710322 /nfs/dbraw/zinc/71/03/22/487710322.db2.gz VRJCDSSAVKPXKA-SNVBAGLBSA-N 1 0 203.282 -0.136 20 30 BBEDRO O=C(NCC#CCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000670410103 488153097 /nfs/dbraw/zinc/15/30/97/488153097.db2.gz KREKHEAFKKXGBN-GFCCVEGCSA-N 1 0 236.315 -0.027 20 30 BBEDRO O=C(NCC#CCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC000670410104 488153107 /nfs/dbraw/zinc/15/31/07/488153107.db2.gz KREKHEAFKKXGBN-LBPRGKRZSA-N 1 0 236.315 -0.027 20 30 BBEDRO CC#CC[N@@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000671552674 487617977 /nfs/dbraw/zinc/61/79/77/487617977.db2.gz UYFBGECJRZOOBH-LLVKDONJSA-N 1 0 220.276 -0.262 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671552675 487618023 /nfs/dbraw/zinc/61/80/23/487618023.db2.gz UYFBGECJRZOOBH-NSHDSACASA-N 1 0 220.276 -0.262 20 30 BBEDRO CCC#C[C@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000671627596 487655594 /nfs/dbraw/zinc/65/55/94/487655594.db2.gz VOPZBDXGGAQQQZ-GXSJLCMTSA-N 1 0 210.277 -0.290 20 30 BBEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000671627597 487655737 /nfs/dbraw/zinc/65/57/37/487655737.db2.gz VOPZBDXGGAQQQZ-KOLCDFICSA-N 1 0 210.277 -0.290 20 30 BBEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000671627598 487655888 /nfs/dbraw/zinc/65/58/88/487655888.db2.gz VOPZBDXGGAQQQZ-MWLCHTKSSA-N 1 0 210.277 -0.290 20 30 BBEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000671627599 487656020 /nfs/dbraw/zinc/65/60/20/487656020.db2.gz VOPZBDXGGAQQQZ-ONGXEEELSA-N 1 0 210.277 -0.290 20 30 BBEDRO C=CCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673522358 488293839 /nfs/dbraw/zinc/29/38/39/488293839.db2.gz PVCYNSWEDNXEPG-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000673522361 488293271 /nfs/dbraw/zinc/29/32/71/488293271.db2.gz PVCYNSWEDNXEPG-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000675498363 487733752 /nfs/dbraw/zinc/73/37/52/487733752.db2.gz BQFWHKMLBOPGQJ-GARJFASQSA-N 1 0 215.293 -0.259 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000675498369 487733818 /nfs/dbraw/zinc/73/38/18/487733818.db2.gz BQFWHKMLBOPGQJ-MXWKQRLJSA-N 1 0 215.293 -0.259 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000676567089 487875257 /nfs/dbraw/zinc/87/52/57/487875257.db2.gz DVADRHSNGUOJET-DCAQKATOSA-N 1 0 215.293 -0.402 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000676567090 487875440 /nfs/dbraw/zinc/87/54/40/487875440.db2.gz DVADRHSNGUOJET-GARJFASQSA-N 1 0 215.293 -0.402 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000676567091 487875304 /nfs/dbraw/zinc/87/53/04/487875304.db2.gz DVADRHSNGUOJET-OUAUKWLOSA-N 1 0 215.293 -0.402 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000676567092 487874836 /nfs/dbraw/zinc/87/48/36/487874836.db2.gz DVADRHSNGUOJET-VWYCJHECSA-N 1 0 215.293 -0.402 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000676567130 487875451 /nfs/dbraw/zinc/87/54/51/487875451.db2.gz KESZDAXZBRUWBQ-GHMZBOCLSA-N 1 0 213.277 -0.689 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000676567131 487875393 /nfs/dbraw/zinc/87/53/93/487875393.db2.gz KESZDAXZBRUWBQ-MNOVXSKESA-N 1 0 213.277 -0.689 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000676567132 487874880 /nfs/dbraw/zinc/87/48/80/487874880.db2.gz KESZDAXZBRUWBQ-QWRGUYRKSA-N 1 0 213.277 -0.689 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000676567133 487875376 /nfs/dbraw/zinc/87/53/76/487875376.db2.gz KESZDAXZBRUWBQ-WDEREUQCSA-N 1 0 213.277 -0.689 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676892077 487942429 /nfs/dbraw/zinc/94/24/29/487942429.db2.gz QILPUNHQXJRHNT-JTQLQIEISA-N 1 0 210.277 -0.167 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676892078 487941884 /nfs/dbraw/zinc/94/18/84/487941884.db2.gz QILPUNHQXJRHNT-SNVBAGLBSA-N 1 0 210.277 -0.167 20 30 BBEDRO C=C(C)[C@@H](CO)[NH+]1CCN(CCO)CC1 ZINC000677048294 487958766 /nfs/dbraw/zinc/95/87/66/487958766.db2.gz UQYTXPSPHILZPD-LLVKDONJSA-N 1 0 214.309 -0.467 20 30 BBEDRO C=C(C)[C@H](CO)[NH+]1CCN(CCO)CC1 ZINC000677048295 487959305 /nfs/dbraw/zinc/95/93/05/487959305.db2.gz UQYTXPSPHILZPD-NSHDSACASA-N 1 0 214.309 -0.467 20 30 BBEDRO COCC#CCN1CC[NH+](CCO)CC1 ZINC000677132597 487979456 /nfs/dbraw/zinc/97/94/56/487979456.db2.gz IDYLMBCPAYFJCO-UHFFFAOYSA-N 1 0 212.293 -0.754 20 30 BBEDRO COCC#CCN1CC[NH+](CCOC)CC1 ZINC000677133283 487892743 /nfs/dbraw/zinc/89/27/43/487892743.db2.gz PYHJQZYRRZGNCF-UHFFFAOYSA-N 1 0 226.320 -0.100 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+](C)CCC(=O)NC ZINC000677478155 488048238 /nfs/dbraw/zinc/04/82/38/488048238.db2.gz PMWUBMGFUFLDFQ-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+](C)CCC(=O)NC ZINC000677478156 488048259 /nfs/dbraw/zinc/04/82/59/488048259.db2.gz PMWUBMGFUFLDFQ-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000677802147 488121322 /nfs/dbraw/zinc/12/13/22/488121322.db2.gz BVPRGKXXIYQBRN-GRYCIOLGSA-N 1 0 226.320 -0.062 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000677802148 488121524 /nfs/dbraw/zinc/12/15/24/488121524.db2.gz BVPRGKXXIYQBRN-SDDRHHMPSA-N 1 0 226.320 -0.062 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000677802149 488121556 /nfs/dbraw/zinc/12/15/56/488121556.db2.gz BVPRGKXXIYQBRN-SRVKXCTJSA-N 1 0 226.320 -0.062 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000677802150 488121457 /nfs/dbraw/zinc/12/14/57/488121457.db2.gz BVPRGKXXIYQBRN-WOPDTQHZSA-N 1 0 226.320 -0.062 20 30 BBEDRO COCC#CCN1CCCC[C@H]1C(N)=O ZINC000677816865 488129808 /nfs/dbraw/zinc/12/98/08/488129808.db2.gz FMTCWEPBEGEJBJ-JTQLQIEISA-N 1 0 210.277 -0.024 20 30 BBEDRO COCC#CCN1CCCC[C@@H]1C(N)=O ZINC000677816869 488130535 /nfs/dbraw/zinc/13/05/35/488130535.db2.gz FMTCWEPBEGEJBJ-SNVBAGLBSA-N 1 0 210.277 -0.024 20 30 BBEDRO COCC#CC[NH+]1CCC(C(N)=O)CC1 ZINC000677817295 488132007 /nfs/dbraw/zinc/13/20/07/488132007.db2.gz NQOHNNUEZFLNMH-UHFFFAOYSA-N 1 0 210.277 -0.167 20 30 BBEDRO COCC#CCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000677817572 488131576 /nfs/dbraw/zinc/13/15/76/488131576.db2.gz NTPQNPOZRCHXLV-JTQLQIEISA-N 1 0 246.332 -0.740 20 30 BBEDRO COCC#CC[N@H+](CCO)CCCO ZINC000677817855 490663903 /nfs/dbraw/zinc/66/39/03/490663903.db2.gz QRBSYVBFGAKOMD-UHFFFAOYSA-N 1 0 201.266 -0.687 20 30 BBEDRO COCC#CCN(C)[C@H]1CCN(C)C1=O ZINC000677818067 488131913 /nfs/dbraw/zinc/13/19/13/488131913.db2.gz SVEPSGSSKSDENL-JTQLQIEISA-N 1 0 210.277 -0.201 20 30 BBEDRO COCC#CCN(C)[C@@H]1CCN(C)C1=O ZINC000677818068 488131212 /nfs/dbraw/zinc/13/12/12/488131212.db2.gz SVEPSGSSKSDENL-SNVBAGLBSA-N 1 0 210.277 -0.201 20 30 BBEDRO COCC#CC[N@@H+](CCO)CCOC ZINC000677818406 488132996 /nfs/dbraw/zinc/13/29/96/488132996.db2.gz MDLWODIFMZONPQ-UHFFFAOYSA-N 1 0 201.266 -0.423 20 30 BBEDRO COCC#CCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000677818717 487512673 /nfs/dbraw/zinc/51/26/73/487512673.db2.gz UWPKWPLGLPSCLC-GFCCVEGCSA-N 1 0 226.320 -0.365 20 30 BBEDRO COCC#CCN1CC[NH+](C[C@H](C)O)CC1 ZINC000677818720 487513174 /nfs/dbraw/zinc/51/31/74/487513174.db2.gz UWPKWPLGLPSCLC-LBPRGKRZSA-N 1 0 226.320 -0.365 20 30 BBEDRO COCC#CC[N@H+](C)CCN1CCOCC1 ZINC000677818949 488134430 /nfs/dbraw/zinc/13/44/30/488134430.db2.gz YXKOVUNRFNWBGU-UHFFFAOYSA-N 1 0 226.320 -0.100 20 30 BBEDRO COCC#CC[N@H+](C)CC(C)(CO)CO ZINC000677819101 488134718 /nfs/dbraw/zinc/13/47/18/488134718.db2.gz RUNOOLHBNIFDBP-UHFFFAOYSA-N 1 0 215.293 -0.441 20 30 BBEDRO CNS(=O)(=O)[C@H]1CCN(CC#CCOC)C1 ZINC000677819564 487515941 /nfs/dbraw/zinc/51/59/41/487515941.db2.gz ACPSOFQVAJATCS-JTQLQIEISA-N 1 0 246.332 -0.740 20 30 BBEDRO CNS(=O)(=O)[C@@H]1CCN(CC#CCOC)C1 ZINC000677819565 487515577 /nfs/dbraw/zinc/51/55/77/487515577.db2.gz ACPSOFQVAJATCS-SNVBAGLBSA-N 1 0 246.332 -0.740 20 30 BBEDRO COCC#CC[NH+]1CCC(NC(N)=O)CC1 ZINC000677819831 488136294 /nfs/dbraw/zinc/13/62/94/488136294.db2.gz BFBLHPAMFBQNFA-UHFFFAOYSA-N 1 0 225.292 -0.231 20 30 BBEDRO CNC(=O)[C@@H](C)C[N@H+](C)CC#CCOC ZINC000677820491 487519967 /nfs/dbraw/zinc/51/99/67/487519967.db2.gz PGIOMBQXWMOSGX-JTQLQIEISA-N 1 0 212.293 -0.050 20 30 BBEDRO CNC(=O)[C@H](C)C[N@H+](C)CC#CCOC ZINC000677820492 487519679 /nfs/dbraw/zinc/51/96/79/487519679.db2.gz PGIOMBQXWMOSGX-SNVBAGLBSA-N 1 0 212.293 -0.050 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000678049418 488186419 /nfs/dbraw/zinc/18/64/19/488186419.db2.gz JZLPGZOEDKSIKK-BDAKNGLRSA-N 1 0 213.281 -0.334 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000678049422 488186200 /nfs/dbraw/zinc/18/62/00/488186200.db2.gz JZLPGZOEDKSIKK-DTWKUNHWSA-N 1 0 213.281 -0.334 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000678049424 488186733 /nfs/dbraw/zinc/18/67/33/488186733.db2.gz JZLPGZOEDKSIKK-IUCAKERBSA-N 1 0 213.281 -0.334 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000678049426 488186265 /nfs/dbraw/zinc/18/62/65/488186265.db2.gz JZLPGZOEDKSIKK-RKDXNWHRSA-N 1 0 213.281 -0.334 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H](C)[NH+](C)C ZINC000679120546 488310594 /nfs/dbraw/zinc/31/05/94/488310594.db2.gz GMMOJQVQQNQEKW-QMMMGPOBSA-N 1 0 213.281 -0.645 20 30 BBEDRO COCC#CC[N@H+](C)CCNC(=O)N(C)C ZINC000679150708 488313764 /nfs/dbraw/zinc/31/37/64/488313764.db2.gz FBTILFOLJLIUTB-UHFFFAOYSA-N 1 0 227.308 -0.161 20 30 BBEDRO C=CCNC(=O)CNC(=O)NCCC[NH+](C)C ZINC000679151824 488313741 /nfs/dbraw/zinc/31/37/41/488313741.db2.gz UAPPRAJKKNNZPP-UHFFFAOYSA-N 1 0 242.323 -0.461 20 30 BBEDRO C=C(C)[C@@H](CO)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000679320088 488333977 /nfs/dbraw/zinc/33/39/77/488333977.db2.gz JEJOUUHLRKCLIA-RKDXNWHRSA-N 1 0 239.275 -0.841 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000680429991 487593130 /nfs/dbraw/zinc/59/31/30/487593130.db2.gz AEHVDWPDVAGVJV-NEPJUHHUSA-N 1 0 226.320 -0.060 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000680429992 487592491 /nfs/dbraw/zinc/59/24/91/487592491.db2.gz AEHVDWPDVAGVJV-NWDGAFQWSA-N 1 0 226.320 -0.060 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000680429993 487592892 /nfs/dbraw/zinc/59/28/92/487592892.db2.gz AEHVDWPDVAGVJV-RYUDHWBXSA-N 1 0 226.320 -0.060 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000680429994 487593035 /nfs/dbraw/zinc/59/30/35/487593035.db2.gz AEHVDWPDVAGVJV-VXGBXAGGSA-N 1 0 226.320 -0.060 20 30 BBEDRO C=CC[C@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000680463330 487599726 /nfs/dbraw/zinc/59/97/26/487599726.db2.gz LOKZJMAGBZSZOO-DTWKUNHWSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000680463331 487600202 /nfs/dbraw/zinc/60/02/02/487600202.db2.gz LOKZJMAGBZSZOO-IUCAKERBSA-N 1 0 200.282 -0.010 20 30 BBEDRO C=CCCOCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000680828197 487653476 /nfs/dbraw/zinc/65/34/76/487653476.db2.gz QOTBPXPIHVMBIX-GFCCVEGCSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=CCCOCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000680828200 487653017 /nfs/dbraw/zinc/65/30/17/487653017.db2.gz QOTBPXPIHVMBIX-LBPRGKRZSA-N 1 0 242.319 -0.238 20 30 BBEDRO COCC#CC[N@H+](C)[C@@]1(CO)CCOC1 ZINC000680866201 487646838 /nfs/dbraw/zinc/64/68/38/487646838.db2.gz XMCWXXYVRXEYCA-LLVKDONJSA-N 1 0 213.277 -0.281 20 30 BBEDRO COCC#CC[N@H+](C)[C@]1(CO)CCOC1 ZINC000680866202 487646449 /nfs/dbraw/zinc/64/64/49/487646449.db2.gz XMCWXXYVRXEYCA-NSHDSACASA-N 1 0 213.277 -0.281 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000681167679 487740783 /nfs/dbraw/zinc/74/07/83/487740783.db2.gz XHKGLUFGTNMXHN-KXUCPTDWSA-N 1 0 228.292 -0.895 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000681167681 487741162 /nfs/dbraw/zinc/74/11/62/487741162.db2.gz YXMJFYNOFSVPGT-AEJSXWLSSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000681167682 487740770 /nfs/dbraw/zinc/74/07/70/487740770.db2.gz YXMJFYNOFSVPGT-IVZWLZJFSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000681167921 487740704 /nfs/dbraw/zinc/74/07/04/487740704.db2.gz YXMJFYNOFSVPGT-GUBZILKMSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000681167922 487740962 /nfs/dbraw/zinc/74/09/62/487740962.db2.gz YXMJFYNOFSVPGT-LPEHRKFASA-N 1 0 201.266 -0.649 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000681224111 487751338 /nfs/dbraw/zinc/75/13/38/487751338.db2.gz YXMJFYNOFSVPGT-BBBLOLIVSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000681224112 487750953 /nfs/dbraw/zinc/75/09/53/487750953.db2.gz YXMJFYNOFSVPGT-UTLUCORTSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=CCNC(=O)CN1CC[C@H](n2cncn2)C1 ZINC000681603141 487472700 /nfs/dbraw/zinc/47/27/00/487472700.db2.gz PXZMQTVLIOSYAQ-JTQLQIEISA-N 1 0 235.291 -0.173 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H](n2cncn2)C1 ZINC000681603142 487473035 /nfs/dbraw/zinc/47/30/35/487473035.db2.gz PXZMQTVLIOSYAQ-SNVBAGLBSA-N 1 0 235.291 -0.173 20 30 BBEDRO C=C(C)[C@@H](CO)N1CC[NH+](C[C@H](C)O)CC1 ZINC000681698699 487842559 /nfs/dbraw/zinc/84/25/59/487842559.db2.gz GKFVQQAAOFXKOB-NWDGAFQWSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=C(C)[C@H](CO)N1CC[NH+](C[C@H](C)O)CC1 ZINC000681698700 487843077 /nfs/dbraw/zinc/84/30/77/487843077.db2.gz GKFVQQAAOFXKOB-RYUDHWBXSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000681711818 487848167 /nfs/dbraw/zinc/84/81/67/487848167.db2.gz JONCXYBBXUDXCP-NEPJUHHUSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=C(C)[C@@H](CO)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000681711819 487848213 /nfs/dbraw/zinc/84/82/13/487848213.db2.gz JONCXYBBXUDXCP-NWDGAFQWSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000681711820 487846423 /nfs/dbraw/zinc/84/64/23/487846423.db2.gz JONCXYBBXUDXCP-RYUDHWBXSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=C(C)[C@@H](CO)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000681711821 487848707 /nfs/dbraw/zinc/84/87/07/487848707.db2.gz JONCXYBBXUDXCP-VXGBXAGGSA-N 1 0 228.336 -0.078 20 30 BBEDRO COCC#CCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000681712178 487848491 /nfs/dbraw/zinc/84/84/91/487848491.db2.gz PPZFYGCWQCWUHI-GFCCVEGCSA-N 1 0 226.320 -0.365 20 30 BBEDRO COCC#CCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000681712179 487847997 /nfs/dbraw/zinc/84/79/97/487847997.db2.gz PPZFYGCWQCWUHI-LBPRGKRZSA-N 1 0 226.320 -0.365 20 30 BBEDRO COCC#CC[N@@H+](CCO)CCCOC ZINC000682091154 487908232 /nfs/dbraw/zinc/90/82/32/487908232.db2.gz UXTZGPXIJPGIQQ-UHFFFAOYSA-N 1 0 215.293 -0.033 20 30 BBEDRO COCC#CC[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000682373539 487942347 /nfs/dbraw/zinc/94/23/47/487942347.db2.gz RRSJUCDHMFYQAG-GHMZBOCLSA-N 1 0 215.293 -0.300 20 30 BBEDRO COCC#CC[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000682373542 487942725 /nfs/dbraw/zinc/94/27/25/487942725.db2.gz RRSJUCDHMFYQAG-MNOVXSKESA-N 1 0 215.293 -0.300 20 30 BBEDRO COCC#CC[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000682373544 487942604 /nfs/dbraw/zinc/94/26/04/487942604.db2.gz RRSJUCDHMFYQAG-QWRGUYRKSA-N 1 0 215.293 -0.300 20 30 BBEDRO COCC#CC[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000682373545 487942813 /nfs/dbraw/zinc/94/28/13/487942813.db2.gz RRSJUCDHMFYQAG-WDEREUQCSA-N 1 0 215.293 -0.300 20 30 BBEDRO COCC#CC[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000683097467 488105465 /nfs/dbraw/zinc/10/54/65/488105465.db2.gz OYYGJZOWMRAISS-PHIMTYICSA-N 1 0 213.277 -0.018 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000684004639 488254915 /nfs/dbraw/zinc/25/49/15/488254915.db2.gz AHFRGFLCDXCAJK-GFCCVEGCSA-N 1 0 237.303 -0.499 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000684004641 488254904 /nfs/dbraw/zinc/25/49/04/488254904.db2.gz AHFRGFLCDXCAJK-LBPRGKRZSA-N 1 0 237.303 -0.499 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000684005564 488254508 /nfs/dbraw/zinc/25/45/08/488254508.db2.gz UOBCPMYTEVGTST-GFCCVEGCSA-N 1 0 222.288 -0.152 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000684005565 488254540 /nfs/dbraw/zinc/25/45/40/488254540.db2.gz UOBCPMYTEVGTST-LBPRGKRZSA-N 1 0 222.288 -0.152 20 30 BBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000684200657 488275597 /nfs/dbraw/zinc/27/55/97/488275597.db2.gz KHUCKOKTIHJKHP-JTQLQIEISA-N 1 0 249.318 -0.183 20 30 BBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684200658 488275559 /nfs/dbraw/zinc/27/55/59/488275559.db2.gz KHUCKOKTIHJKHP-SNVBAGLBSA-N 1 0 249.318 -0.183 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000684628821 488335589 /nfs/dbraw/zinc/33/55/89/488335589.db2.gz PSLJKEWPDOFBEX-LLVKDONJSA-N 1 0 210.277 -0.167 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000684628822 488335918 /nfs/dbraw/zinc/33/59/18/488335918.db2.gz PSLJKEWPDOFBEX-NSHDSACASA-N 1 0 210.277 -0.167 20 30 BBEDRO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)C[C@H]2CO)C1=O ZINC000685004011 487989990 /nfs/dbraw/zinc/98/99/90/487989990.db2.gz YWUATSRIHLDGRI-HBNTYKKESA-N 1 0 240.303 -0.799 20 30 BBEDRO COCC#CC[N@H+](CCO)C[C@H](C)O ZINC000685589641 487560584 /nfs/dbraw/zinc/56/05/84/487560584.db2.gz BWLKSJRTXHSJTG-JTQLQIEISA-N 1 0 201.266 -0.689 20 30 BBEDRO COCC#CC[N@H+](CCO)C[C@@H](C)O ZINC000685589643 487560715 /nfs/dbraw/zinc/56/07/15/487560715.db2.gz BWLKSJRTXHSJTG-SNVBAGLBSA-N 1 0 201.266 -0.689 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000685593660 487561900 /nfs/dbraw/zinc/56/19/00/487561900.db2.gz BVPRGKXXIYQBRN-QJPTWQEYSA-N 1 0 226.320 -0.062 20 30 BBEDRO C=CCNC(=O)CNC1=[NH+]CCCCN1 ZINC000700082583 711985417 /nfs/dbraw/zinc/98/54/17/711985417.db2.gz ABQAHTFDPAOACA-UHFFFAOYSA-N 1 0 210.281 -0.382 20 30 BBEDRO CCNC(NC[C@H]1COCCN1C)=[NH+]CC ZINC000700155445 711987050 /nfs/dbraw/zinc/98/70/50/711987050.db2.gz JZBBNXLDXUPDLA-JTQLQIEISA-N 1 0 228.340 -0.108 20 30 BBEDRO CCNC(NC[C@@H]1COCCN1C)=[NH+]CC ZINC000700155449 711986668 /nfs/dbraw/zinc/98/66/68/711986668.db2.gz JZBBNXLDXUPDLA-SNVBAGLBSA-N 1 0 228.340 -0.108 20 30 BBEDRO CC(C)(C)n1nnc(C=NNC(N)=[NH2+])n1 ZINC000700274734 711988841 /nfs/dbraw/zinc/98/88/41/711988841.db2.gz WFFZCGYAVDFUNZ-UHFFFAOYSA-N 1 0 210.245 -0.755 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000700436618 711993387 /nfs/dbraw/zinc/99/33/87/711993387.db2.gz KSMFJLWEDCBOHU-GHMZBOCLSA-N 1 0 224.304 -0.314 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000700436620 711993355 /nfs/dbraw/zinc/99/33/55/711993355.db2.gz KSMFJLWEDCBOHU-MNOVXSKESA-N 1 0 224.304 -0.314 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000700436621 711994061 /nfs/dbraw/zinc/99/40/61/711994061.db2.gz KSMFJLWEDCBOHU-QWRGUYRKSA-N 1 0 224.304 -0.314 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000700436622 711993581 /nfs/dbraw/zinc/99/35/81/711993581.db2.gz KSMFJLWEDCBOHU-WDEREUQCSA-N 1 0 224.304 -0.314 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCCC#N)C[C@@H]1CO ZINC000700447363 711995008 /nfs/dbraw/zinc/99/50/08/711995008.db2.gz XUQBXWMTVHHAHG-GHMZBOCLSA-N 1 0 239.319 -0.033 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NCCC#N)C[C@H]1CO ZINC000700447364 711995166 /nfs/dbraw/zinc/99/51/66/711995166.db2.gz XUQBXWMTVHHAHG-MNOVXSKESA-N 1 0 239.319 -0.033 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NCCC#N)C[C@H]1CO ZINC000700447365 711995452 /nfs/dbraw/zinc/99/54/52/711995452.db2.gz XUQBXWMTVHHAHG-QWRGUYRKSA-N 1 0 239.319 -0.033 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NCCC#N)C[C@@H]1CO ZINC000700447366 711995156 /nfs/dbraw/zinc/99/51/56/711995156.db2.gz XUQBXWMTVHHAHG-WDEREUQCSA-N 1 0 239.319 -0.033 20 30 BBEDRO C=CCOCCCNC(=O)[C@H](C[NH3+])OC ZINC000700793261 712005133 /nfs/dbraw/zinc/00/51/33/712005133.db2.gz DVGCWNHERQYCMF-VIFPVBQESA-N 1 0 216.281 -0.331 20 30 BBEDRO C#CCCC[NH+]1CCN(CC(N)=O)CC1 ZINC000700824295 712007936 /nfs/dbraw/zinc/00/79/36/712007936.db2.gz XIVBHIJQPZWDKM-UHFFFAOYSA-N 1 0 209.293 -0.497 20 30 BBEDRO CNC(NCC1(CO)CCOCC1)=[NH+]C ZINC000700963916 712011245 /nfs/dbraw/zinc/01/12/45/712011245.db2.gz FFOGRRFKTSUATM-UHFFFAOYSA-N 1 0 215.297 -0.430 20 30 BBEDRO CN(CC[N@H+](C)CCO)C(=O)C(C)(C)C#N ZINC000701062198 712014177 /nfs/dbraw/zinc/01/41/77/712014177.db2.gz MBOGXRLVOBVKML-UHFFFAOYSA-N 1 0 227.308 -0.081 20 30 BBEDRO CN(CC[N@H+](C)CCO)c1cc(C#N)ncn1 ZINC000701142257 712016109 /nfs/dbraw/zinc/01/61/09/712016109.db2.gz GLZHIFPRWGOGLD-UHFFFAOYSA-N 1 0 235.291 -0.291 20 30 BBEDRO CNC(NCCN(C)C(=O)OC)=[NH+]C ZINC000701605844 712026187 /nfs/dbraw/zinc/02/61/87/712026187.db2.gz LXGVQQCCASDKEG-UHFFFAOYSA-N 1 0 202.258 -0.521 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H](OCC)C1 ZINC000701675311 712027307 /nfs/dbraw/zinc/02/73/07/712027307.db2.gz XIXBBMAJCHZVHK-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000702332345 712047984 /nfs/dbraw/zinc/04/79/84/712047984.db2.gz LTXWIOREJJZFDI-YPMHNXCESA-N 1 0 235.331 -0.381 20 30 BBEDRO C=C(Cl)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702341749 712045798 /nfs/dbraw/zinc/04/57/98/712045798.db2.gz IBDQQKRRPZKZTB-ZETCQYMHSA-N 1 0 205.689 -0.256 20 30 BBEDRO C[NH+](C)C[C@H](N)C(=O)N1CC[C@](C)(C#N)C1 ZINC000702348570 712045510 /nfs/dbraw/zinc/04/55/10/712045510.db2.gz CUNZZOROOKIEIM-GXSJLCMTSA-N 1 0 224.308 -0.363 20 30 BBEDRO C[NH+](C)C[C@H](N)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000702348581 712045880 /nfs/dbraw/zinc/04/58/80/712045880.db2.gz CUNZZOROOKIEIM-ONGXEEELSA-N 1 0 224.308 -0.363 20 30 BBEDRO C=CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H](C)COC ZINC000702352682 712046675 /nfs/dbraw/zinc/04/66/75/712046675.db2.gz RTSYUSOOJJHCJM-MNOVXSKESA-N 1 0 243.351 -0.075 20 30 BBEDRO C=CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)COC ZINC000702352685 712046313 /nfs/dbraw/zinc/04/63/13/712046313.db2.gz RTSYUSOOJJHCJM-QWRGUYRKSA-N 1 0 243.351 -0.075 20 30 BBEDRO C[C@H](CC#N)N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702378516 712049493 /nfs/dbraw/zinc/04/94/93/712049493.db2.gz LBGOCYUPVNFVGA-BDAKNGLRSA-N 1 0 212.297 -0.364 20 30 BBEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702378521 712049472 /nfs/dbraw/zinc/04/94/72/712049472.db2.gz LBGOCYUPVNFVGA-IUCAKERBSA-N 1 0 212.297 -0.364 20 30 BBEDRO C=CCOCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702383423 712049171 /nfs/dbraw/zinc/04/91/71/712049171.db2.gz FPZUNBCHTKFHKK-VIFPVBQESA-N 1 0 215.297 -0.806 20 30 BBEDRO C=CCOCCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702389352 712049948 /nfs/dbraw/zinc/04/99/48/712049948.db2.gz DNDHLLIHHUIZQH-JTQLQIEISA-N 1 0 229.324 -0.416 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNc2ccnc(C#N)c2)C1 ZINC000702580246 712055678 /nfs/dbraw/zinc/05/56/78/712055678.db2.gz SFAMPFREZCEUNY-GFCCVEGCSA-N 1 0 232.287 -0.146 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNc2ccnc(C#N)c2)C1 ZINC000702580247 712055707 /nfs/dbraw/zinc/05/57/07/712055707.db2.gz SFAMPFREZCEUNY-LBPRGKRZSA-N 1 0 232.287 -0.146 20 30 BBEDRO CCNC(NC[C@@](C)(CO)OC)=[NH+]CC ZINC000702633821 712057054 /nfs/dbraw/zinc/05/70/54/712057054.db2.gz OPXZYXXPJZAAAI-JTQLQIEISA-N 1 0 217.313 -0.041 20 30 BBEDRO CCNC(NC[C@](C)(CO)OC)=[NH+]CC ZINC000702633823 712057476 /nfs/dbraw/zinc/05/74/76/712057476.db2.gz OPXZYXXPJZAAAI-SNVBAGLBSA-N 1 0 217.313 -0.041 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)CC1(C)COC1 ZINC000702952266 712061935 /nfs/dbraw/zinc/06/19/35/712061935.db2.gz PADBEBYAMVSTKL-UHFFFAOYSA-N 1 0 210.277 -0.296 20 30 BBEDRO C=C(Cl)CNC(=O)[C@H]1OCC[C@H]1[NH3+] ZINC000703128634 712067096 /nfs/dbraw/zinc/06/70/96/712067096.db2.gz ZZXMOZORHOOUGX-RQJHMYQMSA-N 1 0 204.657 -0.029 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703581397 712079778 /nfs/dbraw/zinc/07/97/78/712079778.db2.gz HONVKDTWUQKGQC-CMPLNLGQSA-N 1 0 223.320 -0.170 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000703672141 712082925 /nfs/dbraw/zinc/08/29/25/712082925.db2.gz OZYWNJINEURCLY-GARJFASQSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000703672143 712082394 /nfs/dbraw/zinc/08/23/94/712082394.db2.gz OZYWNJINEURCLY-MXWKQRLJSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCNC(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000703771259 712087744 /nfs/dbraw/zinc/08/77/44/712087744.db2.gz WTROUPWXKPHKID-AOOOYVTPSA-N 1 0 210.277 -0.562 20 30 BBEDRO COCC#CC[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000704765014 712115694 /nfs/dbraw/zinc/11/56/94/712115694.db2.gz WMWUTCDPYPTNHB-PHIMTYICSA-N 1 0 213.277 -0.831 20 30 BBEDRO C=CCOCC[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705334275 712129396 /nfs/dbraw/zinc/12/93/96/712129396.db2.gz RHWXDWHBZPMCQO-PHIMTYICSA-N 1 0 215.293 -0.278 20 30 BBEDRO C=CCN(CC(=O)OCC)C(=O)[C@H](C[NH3+])OC ZINC000707294250 712169114 /nfs/dbraw/zinc/16/91/14/712169114.db2.gz SETIUFBPGGCWRP-VIFPVBQESA-N 1 0 244.291 -0.462 20 30 BBEDRO C=CCN(CC(=O)OCC)C(=O)COCC[NH3+] ZINC000707295809 712169148 /nfs/dbraw/zinc/16/91/48/712169148.db2.gz DHTFVQUIEHNWGH-UHFFFAOYSA-N 1 0 244.291 -0.461 20 30 BBEDRO C=CCN(CC(=O)OCC)C(=O)[C@H]1CC[NH2+]1 ZINC000707317753 712169405 /nfs/dbraw/zinc/16/94/05/712169405.db2.gz WNPZPPALMVQKTJ-SECBINFHSA-N 1 0 226.276 -0.074 20 30 BBEDRO C=CCN(CC(=O)OCC)C(=O)C[NH3+] ZINC000707336138 712168339 /nfs/dbraw/zinc/16/83/39/712168339.db2.gz RBZPKESZKLPHRZ-UHFFFAOYSA-N 1 0 200.238 -0.477 20 30 BBEDRO C=CCN(CC(=O)OCC)C(=O)CC[NH3+] ZINC000707338956 712168576 /nfs/dbraw/zinc/16/85/76/712168576.db2.gz CGOJRHATAUEFKG-UHFFFAOYSA-N 1 0 214.265 -0.087 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000707428473 711936469 /nfs/dbraw/zinc/93/64/69/711936469.db2.gz ICSZMOFKOMJNOP-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000707428479 711936413 /nfs/dbraw/zinc/93/64/13/711936413.db2.gz ICSZMOFKOMJNOP-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CCC12CCOCC2 ZINC000707596829 712175634 /nfs/dbraw/zinc/17/56/34/712175634.db2.gz WNDZZWCGCFMLQC-UHFFFAOYSA-N 1 0 222.288 -0.009 20 30 BBEDRO C#CC1(O)CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000707985587 712174677 /nfs/dbraw/zinc/17/46/77/712174677.db2.gz IHIGFBFZESESID-JTQLQIEISA-N 1 0 222.288 -0.275 20 30 BBEDRO C#CC1(O)CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000707985591 712174817 /nfs/dbraw/zinc/17/48/17/712174817.db2.gz IHIGFBFZESESID-SNVBAGLBSA-N 1 0 222.288 -0.275 20 30 BBEDRO C#CC1(O)CCN(C(=O)C[NH+](C)C)CC1 ZINC000708096103 712181361 /nfs/dbraw/zinc/18/13/61/712181361.db2.gz WVRVOZPXJFFMQX-UHFFFAOYSA-N 1 0 210.277 -0.465 20 30 BBEDRO C#CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000708098685 711950574 /nfs/dbraw/zinc/95/05/74/711950574.db2.gz CHTJVXNULZEVPH-LLVKDONJSA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000708098689 711950413 /nfs/dbraw/zinc/95/04/13/711950413.db2.gz CHTJVXNULZEVPH-NSHDSACASA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000708099935 712180856 /nfs/dbraw/zinc/18/08/56/712180856.db2.gz BDCSZVBGJFURMB-LLVKDONJSA-N 1 0 225.288 -0.138 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000708099937 712181418 /nfs/dbraw/zinc/18/14/18/712181418.db2.gz BDCSZVBGJFURMB-NSHDSACASA-N 1 0 225.288 -0.138 20 30 BBEDRO C#CC1(O)CC[NH+](CCCC(=O)NC)CC1 ZINC000708114382 712181907 /nfs/dbraw/zinc/18/19/07/712181907.db2.gz ACHRIHKOWWEYDK-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CC1(O)CC[NH+](CC(=O)N(C)CC)CC1 ZINC000708114912 712181980 /nfs/dbraw/zinc/18/19/80/712181980.db2.gz GWFJDPNVDSZJHZ-UHFFFAOYSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CC1(O)CC[NH+](CCC(=O)N(C)C)CC1 ZINC000708115212 712181878 /nfs/dbraw/zinc/18/18/78/712181878.db2.gz JWRUEOYNDHIZMN-UHFFFAOYSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CC1(O)CC[NH+](CC(=O)N2CCC2)CC1 ZINC000708115602 712181792 /nfs/dbraw/zinc/18/17/92/712181792.db2.gz LJPKCZHCAYIVQO-UHFFFAOYSA-N 1 0 222.288 -0.321 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@@H](O)COCC)CC1 ZINC000708116530 712181768 /nfs/dbraw/zinc/18/17/68/712181768.db2.gz PCCUZTJXWMGFAC-LLVKDONJSA-N 1 0 227.304 -0.156 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@H](O)COCC)CC1 ZINC000708116532 712182178 /nfs/dbraw/zinc/18/21/78/712182178.db2.gz PCCUZTJXWMGFAC-NSHDSACASA-N 1 0 227.304 -0.156 20 30 BBEDRO C#CC1(O)CC[NH+](CCC(=O)NCC)CC1 ZINC000708117737 712182496 /nfs/dbraw/zinc/18/24/96/712182496.db2.gz VGYLERVHKLTADS-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CC1(O)CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000708117964 712182380 /nfs/dbraw/zinc/18/23/80/712182380.db2.gz XKAWSPOOPNEGGL-JTQLQIEISA-N 1 0 222.288 -0.323 20 30 BBEDRO C#CC1(O)CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000708117967 712182679 /nfs/dbraw/zinc/18/26/79/712182679.db2.gz XKAWSPOOPNEGGL-SNVBAGLBSA-N 1 0 222.288 -0.323 20 30 BBEDRO C#CC1(O)CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000708118184 712182441 /nfs/dbraw/zinc/18/24/41/712182441.db2.gz YSRJGJUFSTUHGL-JTQLQIEISA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CC1(O)CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000708118185 712182601 /nfs/dbraw/zinc/18/26/01/712182601.db2.gz YSRJGJUFSTUHGL-SNVBAGLBSA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(O)(C#C)CC1 ZINC000708133198 712182803 /nfs/dbraw/zinc/18/28/03/712182803.db2.gz DNMKHSWEFVAQSK-LLVKDONJSA-N 1 0 234.299 -0.416 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(O)(C#C)CC1 ZINC000708133200 712182747 /nfs/dbraw/zinc/18/27/47/712182747.db2.gz DNMKHSWEFVAQSK-NSHDSACASA-N 1 0 234.299 -0.416 20 30 BBEDRO C#CC1(O)CC[NH+](CCN2CCOCC2)CC1 ZINC000708142295 712183197 /nfs/dbraw/zinc/18/31/97/712183197.db2.gz DBFHYFNHVGAKNQ-UHFFFAOYSA-N 1 0 238.331 -0.221 20 30 BBEDRO C#CC1(O)CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000708143356 712183217 /nfs/dbraw/zinc/18/32/17/712183217.db2.gz XQMOOGUTURMFEC-MRVPVSSYSA-N 1 0 239.275 -0.970 20 30 BBEDRO C#CC1(O)CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000708143357 712183209 /nfs/dbraw/zinc/18/32/09/712183209.db2.gz XQMOOGUTURMFEC-QMMMGPOBSA-N 1 0 239.275 -0.970 20 30 BBEDRO C#CC1(O)CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000708143394 712183138 /nfs/dbraw/zinc/18/31/38/712183138.db2.gz ZBMOQXSILNNGTE-UHFFFAOYSA-N 1 0 239.275 -0.969 20 30 BBEDRO C#CC1(O)CC[NH+](CCC(=O)NC)CC1 ZINC000708152061 712183481 /nfs/dbraw/zinc/18/34/81/712183481.db2.gz LKXPYCVGSKHUHJ-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@H](O)COC)CC1 ZINC000708152723 712183444 /nfs/dbraw/zinc/18/34/44/712183444.db2.gz TXCWQATWMFYBOP-JTQLQIEISA-N 1 0 213.277 -0.546 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@@H](O)COC)CC1 ZINC000708152724 712183405 /nfs/dbraw/zinc/18/34/05/712183405.db2.gz TXCWQATWMFYBOP-SNVBAGLBSA-N 1 0 213.277 -0.546 20 30 BBEDRO C#CC1(O)CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000708152746 712183459 /nfs/dbraw/zinc/18/34/59/712183459.db2.gz USZKNSDWPQRXAI-SECBINFHSA-N 1 0 210.277 -0.290 20 30 BBEDRO C#CC1(O)CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000708152747 712183408 /nfs/dbraw/zinc/18/34/08/712183408.db2.gz USZKNSDWPQRXAI-VIFPVBQESA-N 1 0 210.277 -0.290 20 30 BBEDRO C#CC1(O)CC[NH+](CC(=O)N(C)C)CC1 ZINC000708152762 712183465 /nfs/dbraw/zinc/18/34/65/712183465.db2.gz VEMNZEVBWBLOLX-UHFFFAOYSA-N 1 0 210.277 -0.465 20 30 BBEDRO C#CC1(O)CC[NH+](CCOCCO)CC1 ZINC000708153020 712183401 /nfs/dbraw/zinc/18/34/01/712183401.db2.gz XULXZNYSIUFHSH-UHFFFAOYSA-N 1 0 213.277 -0.545 20 30 BBEDRO C[N@@H+](CC(=O)NCCC#N)C[C@H](O)C1CC1 ZINC000708549864 712212722 /nfs/dbraw/zinc/21/27/22/712212722.db2.gz DRSAOXNRAAAKSU-JTQLQIEISA-N 1 0 225.292 -0.281 20 30 BBEDRO C[N@@H+](CC(=O)NCCC#N)C[C@@H](O)C1CC1 ZINC000708549865 712212959 /nfs/dbraw/zinc/21/29/59/712212959.db2.gz DRSAOXNRAAAKSU-SNVBAGLBSA-N 1 0 225.292 -0.281 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708561274 712212492 /nfs/dbraw/zinc/21/24/92/712212492.db2.gz BEBLSLFCXMIDLU-LLVKDONJSA-N 1 0 241.335 -0.665 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708561276 712212505 /nfs/dbraw/zinc/21/25/05/712212505.db2.gz BEBLSLFCXMIDLU-NSHDSACASA-N 1 0 241.335 -0.665 20 30 BBEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000708595182 712214191 /nfs/dbraw/zinc/21/41/91/712214191.db2.gz ODSCJXCDBOHQGL-OPRDCNLKSA-N 1 0 214.265 -0.393 20 30 BBEDRO C[N@H+](CC(=O)NCCC#N)[C@@H]1CCC[C@H]1O ZINC000708709130 712197758 /nfs/dbraw/zinc/19/77/58/712197758.db2.gz GXIVPFLQEDZPLV-NXEZZACHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000708806905 712199372 /nfs/dbraw/zinc/19/93/72/712199372.db2.gz GVMMLIFTGPOBGA-NXEZZACHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000709636595 712226445 /nfs/dbraw/zinc/22/64/45/712226445.db2.gz ODSCJXCDBOHQGL-IVZWLZJFSA-N 1 0 214.265 -0.393 20 30 BBEDRO COCC#CC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709851626 712229835 /nfs/dbraw/zinc/22/98/35/712229835.db2.gz DDMOXXHOAQECEX-NWDGAFQWSA-N 1 0 227.304 -0.299 20 30 BBEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709872396 712230700 /nfs/dbraw/zinc/23/07/00/712230700.db2.gz BNZXNQKYEPNTQB-WDEREUQCSA-N 1 0 242.319 -0.646 20 30 BBEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709872501 712230768 /nfs/dbraw/zinc/23/07/68/712230768.db2.gz CASFMTRFEWWJLO-GRYCIOLGSA-N 1 0 242.319 -0.020 20 30 BBEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709872513 712230812 /nfs/dbraw/zinc/23/08/12/712230812.db2.gz CASFMTRFEWWJLO-SDDRHHMPSA-N 1 0 242.319 -0.020 20 30 BBEDRO C#CCCCS(=O)(=O)NCC[NH+](C)C ZINC000710122965 712245524 /nfs/dbraw/zinc/24/55/24/712245524.db2.gz KISDJNMFCACXTJ-UHFFFAOYSA-N 1 0 218.322 -0.119 20 30 BBEDRO CC#CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000710588618 712263069 /nfs/dbraw/zinc/26/30/69/712263069.db2.gz MMHDPXQDSWWPMC-UHFFFAOYSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@](O)(CC)C1 ZINC000710664588 712265380 /nfs/dbraw/zinc/26/53/80/712265380.db2.gz LHMSTUVPPKLCPL-GFCCVEGCSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@](O)(CC)C1 ZINC000710664589 712265709 /nfs/dbraw/zinc/26/57/09/712265709.db2.gz LHMSTUVPPKLCPL-LBPRGKRZSA-N 1 0 224.304 -0.027 20 30 BBEDRO C=CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710823459 712257563 /nfs/dbraw/zinc/25/75/63/712257563.db2.gz BGJOLWSCQGZWLZ-JTQLQIEISA-N 1 0 214.265 -0.706 20 30 BBEDRO C=CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710823460 712257568 /nfs/dbraw/zinc/25/75/68/712257568.db2.gz BGJOLWSCQGZWLZ-SNVBAGLBSA-N 1 0 214.265 -0.706 20 30 BBEDRO C=CCN(C)C(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710829846 712257067 /nfs/dbraw/zinc/25/70/67/712257067.db2.gz PJFRLXPQUPTRQD-LLVKDONJSA-N 1 0 228.292 -0.364 20 30 BBEDRO C=CCN(C)C(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710829847 712257084 /nfs/dbraw/zinc/25/70/84/712257084.db2.gz PJFRLXPQUPTRQD-NSHDSACASA-N 1 0 228.292 -0.364 20 30 BBEDRO C=CCCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710829922 712257038 /nfs/dbraw/zinc/25/70/38/712257038.db2.gz QDTCGGMCMMSYIX-LLVKDONJSA-N 1 0 228.292 -0.316 20 30 BBEDRO C=CCCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710829923 712257527 /nfs/dbraw/zinc/25/75/27/712257527.db2.gz QDTCGGMCMMSYIX-NSHDSACASA-N 1 0 228.292 -0.316 20 30 BBEDRO C=C[C@H](C)NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710832390 712257881 /nfs/dbraw/zinc/25/78/81/712257881.db2.gz VKKZXZFVJAWZGA-GXSJLCMTSA-N 1 0 228.292 -0.318 20 30 BBEDRO C=C[C@@H](C)NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710832399 712258097 /nfs/dbraw/zinc/25/80/97/712258097.db2.gz VKKZXZFVJAWZGA-KOLCDFICSA-N 1 0 228.292 -0.318 20 30 BBEDRO C=C(Cl)CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710838761 712257909 /nfs/dbraw/zinc/25/79/09/712257909.db2.gz KMVBXHORWUMHNF-JTQLQIEISA-N 1 0 248.710 -0.140 20 30 BBEDRO C=C(Cl)CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710838763 712258126 /nfs/dbraw/zinc/25/81/26/712258126.db2.gz KMVBXHORWUMHNF-SNVBAGLBSA-N 1 0 248.710 -0.140 20 30 BBEDRO C#CCCS(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000710862255 712260267 /nfs/dbraw/zinc/26/02/67/712260267.db2.gz LOKFGSGHBBEXCC-UHFFFAOYSA-N 1 0 230.333 -0.167 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711033217 712275652 /nfs/dbraw/zinc/27/56/52/712275652.db2.gz QBZQZLCISLLXFV-MGCOHNPYSA-N 1 0 239.319 -0.078 20 30 BBEDRO C#CCCS(=O)(=O)NCc1cncn1C ZINC000711136815 712286444 /nfs/dbraw/zinc/28/64/44/712286444.db2.gz CFHDYPPAVQMUTH-UHFFFAOYSA-N 1 0 227.289 -0.137 20 30 BBEDRO C#CCCS(=O)(=O)N(C)CC[NH+](C)C ZINC000711173854 712287304 /nfs/dbraw/zinc/28/73/04/712287304.db2.gz CTLMGENLKVBJKT-UHFFFAOYSA-N 1 0 218.322 -0.167 20 30 BBEDRO C#CCCS(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000711174864 712288186 /nfs/dbraw/zinc/28/81/86/712288186.db2.gz NFINBCCDDOYKIE-VIFPVBQESA-N 1 0 218.322 -0.121 20 30 BBEDRO C#CCCS(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000711175240 712288243 /nfs/dbraw/zinc/28/82/43/712288243.db2.gz QMWIVQFQPIQJLB-VIFPVBQESA-N 1 0 218.322 -0.121 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711226208 712289666 /nfs/dbraw/zinc/28/96/66/712289666.db2.gz QRONMAKPRHNFTD-SECBINFHSA-N 1 0 239.319 -0.350 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711226212 712289513 /nfs/dbraw/zinc/28/95/13/712289513.db2.gz QRONMAKPRHNFTD-VIFPVBQESA-N 1 0 239.319 -0.350 20 30 BBEDRO N#CC1CC[NH+](CCn2cnnn2)CC1 ZINC000711917281 712338467 /nfs/dbraw/zinc/33/84/67/712338467.db2.gz HEHQLPYYOGSLCK-UHFFFAOYSA-N 1 0 206.253 -0.091 20 30 BBEDRO N#C[C@H]1CCCN(CCn2cnnn2)C1 ZINC000711920109 712338823 /nfs/dbraw/zinc/33/88/23/712338823.db2.gz OUOBNAGVVFSVBZ-SECBINFHSA-N 1 0 206.253 -0.091 20 30 BBEDRO N#C[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000711920110 712338746 /nfs/dbraw/zinc/33/87/46/712338746.db2.gz OUOBNAGVVFSVBZ-VIFPVBQESA-N 1 0 206.253 -0.091 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712254940 712342843 /nfs/dbraw/zinc/34/28/43/712342843.db2.gz QDJICJGVCXNFQY-KXUCPTDWSA-N 1 0 223.276 -0.671 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712261789 712345080 /nfs/dbraw/zinc/34/50/80/712345080.db2.gz NJTKTMHBVCNMJF-OUAUKWLOSA-N 1 0 224.304 -0.009 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712289580 712393999 /nfs/dbraw/zinc/39/39/99/712393999.db2.gz RVASKSVSRPEBAQ-OUAUKWLOSA-N 1 0 222.288 -0.562 20 30 BBEDRO N#CCCNC(=O)C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712292463 712394072 /nfs/dbraw/zinc/39/40/72/712394072.db2.gz GUISGZLAGDLNRG-OUAUKWLOSA-N 1 0 237.303 -0.281 20 30 BBEDRO C#CC1(O)CC[NH+](CCn2cnnn2)CC1 ZINC000712537868 712442553 /nfs/dbraw/zinc/44/25/53/712442553.db2.gz IBFYXANXKRWZGU-UHFFFAOYSA-N 1 0 221.264 -0.867 20 30 BBEDRO C[N@@H+]1CC[C@@H]1CNc1ccnc(C#N)n1 ZINC000712568747 712446945 /nfs/dbraw/zinc/44/69/45/712446945.db2.gz FOEGGIVRKJRNLO-MRVPVSSYSA-N 1 0 203.249 -0.114 20 30 BBEDRO C[N@@H+]1CC[C@H]1CNc1ccnc(C#N)n1 ZINC000712568748 712447136 /nfs/dbraw/zinc/44/71/36/712447136.db2.gz FOEGGIVRKJRNLO-QMMMGPOBSA-N 1 0 203.249 -0.114 20 30 BBEDRO CC#CC[NH+]1CCC(C(=O)NCCO)CC1 ZINC000712604386 712436677 /nfs/dbraw/zinc/43/66/77/712436677.db2.gz NVBSUABKHMLIND-UHFFFAOYSA-N 1 0 224.304 -0.170 20 30 BBEDRO C#CCC[NH+]1CCC(C(=O)NCCO)CC1 ZINC000712605538 712436634 /nfs/dbraw/zinc/43/66/34/712436634.db2.gz QXTGYICOQKKDTR-UHFFFAOYSA-N 1 0 224.304 -0.170 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC000713271715 712457201 /nfs/dbraw/zinc/45/72/01/712457201.db2.gz UFOBZRIHUWYJAB-YGOYTEALSA-N 1 0 237.303 -0.468 20 30 BBEDRO C[NH+](C)C[C@]1(O)CCN(c2cc(C#N)ncn2)C1 ZINC000713647864 712468289 /nfs/dbraw/zinc/46/82/89/712468289.db2.gz KVYRTUGVFLIKIC-GFCCVEGCSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@@]1(O)CCN(c2cc(C#N)ncn2)C1 ZINC000713647866 712468193 /nfs/dbraw/zinc/46/81/93/712468193.db2.gz KVYRTUGVFLIKIC-LBPRGKRZSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@]1(O)CCN(c2ncncc2C#N)C1 ZINC000713650293 712468151 /nfs/dbraw/zinc/46/81/51/712468151.db2.gz SHTUVRNSRDVFOG-GFCCVEGCSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@@]1(O)CCN(c2ncncc2C#N)C1 ZINC000713650295 712468618 /nfs/dbraw/zinc/46/86/18/712468618.db2.gz SHTUVRNSRDVFOG-LBPRGKRZSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@]1(O)CCN(c2ccnc(C#N)n2)C1 ZINC000713650948 712468619 /nfs/dbraw/zinc/46/86/19/712468619.db2.gz VDDYHUXUWGTCDS-GFCCVEGCSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 ZINC000713650949 712468455 /nfs/dbraw/zinc/46/84/55/712468455.db2.gz VDDYHUXUWGTCDS-LBPRGKRZSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@]1(O)CCN(c2cnc(C#N)cn2)C1 ZINC000713651542 712468227 /nfs/dbraw/zinc/46/82/27/712468227.db2.gz YMHLFIZBKNVTBB-GFCCVEGCSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 ZINC000713651909 712468581 /nfs/dbraw/zinc/46/85/81/712468581.db2.gz YMHLFIZBKNVTBB-LBPRGKRZSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@]1(O)CCN(c2nccnc2C#N)C1 ZINC000713651962 712468228 /nfs/dbraw/zinc/46/82/28/712468228.db2.gz ZSNNMHBOSPPXRX-GFCCVEGCSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@@]1(O)CCN(c2nccnc2C#N)C1 ZINC000713651963 712468234 /nfs/dbraw/zinc/46/82/34/712468234.db2.gz ZSNNMHBOSPPXRX-LBPRGKRZSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@]1(O)CCN(c2cncc(C#N)n2)C1 ZINC000713718035 712469778 /nfs/dbraw/zinc/46/97/78/712469778.db2.gz HBUFKHZFWZJBTK-GFCCVEGCSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@@]1(O)CCN(c2cncc(C#N)n2)C1 ZINC000713718036 712469880 /nfs/dbraw/zinc/46/98/80/712469880.db2.gz HBUFKHZFWZJBTK-LBPRGKRZSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@]1(O)CCN(c2cc(C#N)cnn2)C1 ZINC000713720473 712470248 /nfs/dbraw/zinc/47/02/48/712470248.db2.gz QLWDEVBJKPWIFZ-GFCCVEGCSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@@]1(O)CCN(c2cc(C#N)cnn2)C1 ZINC000713720475 712470224 /nfs/dbraw/zinc/47/02/24/712470224.db2.gz QLWDEVBJKPWIFZ-LBPRGKRZSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@]1(O)CCN(c2ccc(C#N)nn2)C1 ZINC000713722236 712470129 /nfs/dbraw/zinc/47/01/29/712470129.db2.gz ZXGWGBBGGMZDNM-GFCCVEGCSA-N 1 0 247.302 -0.149 20 30 BBEDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 ZINC000713722241 712470155 /nfs/dbraw/zinc/47/01/55/712470155.db2.gz ZXGWGBBGGMZDNM-LBPRGKRZSA-N 1 0 247.302 -0.149 20 30 BBEDRO CCNC(NCC1(S(N)(=O)=O)CC1)=[NH+]CC ZINC000713930509 712473650 /nfs/dbraw/zinc/47/36/50/712473650.db2.gz AFWOQCFSYSFLLA-UHFFFAOYSA-N 1 0 248.352 -0.618 20 30 BBEDRO CNC(N[C@H]1C[C@H](S(C)(=O)=O)C1)=[NH+]C ZINC000714250020 712480738 /nfs/dbraw/zinc/48/07/38/712480738.db2.gz KXALLGJKIWKTTM-LJGSYFOKSA-N 1 0 219.310 -0.643 20 30 BBEDRO CNC(NCC[C@H]1CCCS1(=O)=O)=[NH+]C ZINC000714326862 712482441 /nfs/dbraw/zinc/48/24/41/712482441.db2.gz FMJMNVJCLUREMC-MRVPVSSYSA-N 1 0 233.337 -0.252 20 30 BBEDRO CNC(NCC[C@@H]1CCCS1(=O)=O)=[NH+]C ZINC000714326863 712482503 /nfs/dbraw/zinc/48/25/03/712482503.db2.gz FMJMNVJCLUREMC-QMMMGPOBSA-N 1 0 233.337 -0.252 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC000715154718 712512984 /nfs/dbraw/zinc/51/29/84/712512984.db2.gz WGWLQHHGMFBBNS-HTRCEHHLSA-N 1 0 247.245 -0.755 20 30 BBEDRO C#CCN1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000715768360 712532271 /nfs/dbraw/zinc/53/22/71/712532271.db2.gz IGVQALJYLWRKPS-UHFFFAOYSA-N 1 0 247.342 -0.140 20 30 BBEDRO N#CCN1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000715821967 712534120 /nfs/dbraw/zinc/53/41/20/712534120.db2.gz CQDMILBGHCJMKD-UHFFFAOYSA-N 1 0 248.330 -0.250 20 30 BBEDRO N#C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000715822637 712534104 /nfs/dbraw/zinc/53/41/04/712534104.db2.gz HGVZYCRZPKXHOI-JTQLQIEISA-N 1 0 235.287 -0.167 20 30 BBEDRO N#C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000715822641 712533982 /nfs/dbraw/zinc/53/39/82/712533982.db2.gz HGVZYCRZPKXHOI-SNVBAGLBSA-N 1 0 235.287 -0.167 20 30 BBEDRO N#C[C@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000715842388 712533118 /nfs/dbraw/zinc/53/31/18/712533118.db2.gz LNCXGQQOKODBRP-JTQLQIEISA-N 1 0 235.287 -0.167 20 30 BBEDRO N#C[C@@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000715842389 712533045 /nfs/dbraw/zinc/53/30/45/712533045.db2.gz LNCXGQQOKODBRP-SNVBAGLBSA-N 1 0 235.287 -0.167 20 30 BBEDRO C=CCNC(=O)C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716108078 712550507 /nfs/dbraw/zinc/55/05/07/712550507.db2.gz LTIUEWQTODFLBC-UHFFFAOYSA-N 1 0 246.332 -0.546 20 30 BBEDRO C#CC[C@H](COC)[NH2+]CCS(C)(=O)=O ZINC000716335772 712555491 /nfs/dbraw/zinc/55/54/91/712555491.db2.gz GOIMRMCDUZHZSX-SECBINFHSA-N 1 0 219.306 -0.341 20 30 BBEDRO C#CC[C@@H](COC)[NH2+]CCS(C)(=O)=O ZINC000716335774 712555459 /nfs/dbraw/zinc/55/54/59/712555459.db2.gz GOIMRMCDUZHZSX-VIFPVBQESA-N 1 0 219.306 -0.341 20 30 BBEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)COC ZINC000716337781 712555464 /nfs/dbraw/zinc/55/54/64/712555464.db2.gz WYSURHOSWCZLPU-NXEZZACHSA-N 1 0 201.266 -0.378 20 30 BBEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)COC ZINC000716337787 712555409 /nfs/dbraw/zinc/55/54/09/712555409.db2.gz WYSURHOSWCZLPU-UWVGGRQHSA-N 1 0 201.266 -0.378 20 30 BBEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)COC ZINC000716337790 712555504 /nfs/dbraw/zinc/55/55/04/712555504.db2.gz WYSURHOSWCZLPU-VHSXEESVSA-N 1 0 201.266 -0.378 20 30 BBEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)COC ZINC000716337791 712555450 /nfs/dbraw/zinc/55/54/50/712555450.db2.gz WYSURHOSWCZLPU-ZJUUUORDSA-N 1 0 201.266 -0.378 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(C#N)o1 ZINC000716683191 712570078 /nfs/dbraw/zinc/57/00/78/712570078.db2.gz JYKIIVHCPFOPRF-MRVPVSSYSA-N 1 0 237.259 -0.196 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(C#N)o1 ZINC000716683194 712570038 /nfs/dbraw/zinc/57/00/38/712570038.db2.gz JYKIIVHCPFOPRF-QMMMGPOBSA-N 1 0 237.259 -0.196 20 30 BBEDRO Cc1nc(C#N)cc(N[C@H](CO)C[NH+](C)C)n1 ZINC000716698057 712385082 /nfs/dbraw/zinc/38/50/82/712385082.db2.gz ZUJSTRDVBLHLMI-JTQLQIEISA-N 1 0 235.291 -0.009 20 30 BBEDRO Cc1nc(C#N)cc(N[C@@H](CO)C[NH+](C)C)n1 ZINC000716698059 712570456 /nfs/dbraw/zinc/57/04/56/712570456.db2.gz ZUJSTRDVBLHLMI-SNVBAGLBSA-N 1 0 235.291 -0.009 20 30 BBEDRO C[NH+](C)C[C@H](CO)Nc1ccnc(C#N)c1 ZINC000716734326 712571696 /nfs/dbraw/zinc/57/16/96/712571696.db2.gz FJOQVYKPCXJGCS-LLVKDONJSA-N 1 0 220.276 -0.290 20 30 BBEDRO C[NH+](C)C[C@@H](CO)Nc1ccnc(C#N)c1 ZINC000716734327 712571588 /nfs/dbraw/zinc/57/15/88/712571588.db2.gz FJOQVYKPCXJGCS-NSHDSACASA-N 1 0 220.276 -0.290 20 30 BBEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)Cn1cccn1 ZINC000716830742 712577330 /nfs/dbraw/zinc/57/73/30/712577330.db2.gz YIQCMNGQEPWALI-NEPJUHHUSA-N 1 0 237.303 -0.128 20 30 BBEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000716830743 712577335 /nfs/dbraw/zinc/57/73/35/712577335.db2.gz YIQCMNGQEPWALI-NWDGAFQWSA-N 1 0 237.303 -0.128 20 30 BBEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)Cn1cccn1 ZINC000716830744 712577134 /nfs/dbraw/zinc/57/71/34/712577134.db2.gz YIQCMNGQEPWALI-RYUDHWBXSA-N 1 0 237.303 -0.128 20 30 BBEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000716830745 712577272 /nfs/dbraw/zinc/57/72/72/712577272.db2.gz YIQCMNGQEPWALI-VXGBXAGGSA-N 1 0 237.303 -0.128 20 30 BBEDRO COC[C@@](C)(CO)[NH2+]CCO[C@H](C)C#N ZINC000716852665 712578539 /nfs/dbraw/zinc/57/85/39/712578539.db2.gz NCXFLWBTYIHYEF-NXEZZACHSA-N 1 0 216.281 -0.098 20 30 BBEDRO COC[C@](C)(CO)[NH2+]CCO[C@@H](C)C#N ZINC000716852666 712578712 /nfs/dbraw/zinc/57/87/12/712578712.db2.gz NCXFLWBTYIHYEF-UWVGGRQHSA-N 1 0 216.281 -0.098 20 30 BBEDRO COC[C@@](C)(CO)[NH2+]CCO[C@@H](C)C#N ZINC000716852668 712578546 /nfs/dbraw/zinc/57/85/46/712578546.db2.gz NCXFLWBTYIHYEF-VHSXEESVSA-N 1 0 216.281 -0.098 20 30 BBEDRO COC[C@](C)(CO)[NH2+]CCO[C@H](C)C#N ZINC000716852670 712578697 /nfs/dbraw/zinc/57/86/97/712578697.db2.gz NCXFLWBTYIHYEF-ZJUUUORDSA-N 1 0 216.281 -0.098 20 30 BBEDRO C#CC[C@H](COC)[NH2+]Cc1cnnn1C ZINC000716928740 711587824 /nfs/dbraw/zinc/58/78/24/711587824.db2.gz NFXUUWYAYXPQNF-SECBINFHSA-N 1 0 208.265 -0.057 20 30 BBEDRO C#CC[C@@H](COC)[NH2+]Cc1cnnn1C ZINC000716928741 711588086 /nfs/dbraw/zinc/58/80/86/711588086.db2.gz NFXUUWYAYXPQNF-VIFPVBQESA-N 1 0 208.265 -0.057 20 30 BBEDRO C#CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000717280931 712644096 /nfs/dbraw/zinc/64/40/96/712644096.db2.gz TUVDTWMWVSEVKA-SSDOTTSWSA-N 1 0 202.204 -0.019 20 30 BBEDRO C#CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000717280932 712644278 /nfs/dbraw/zinc/64/42/78/712644278.db2.gz TUVDTWMWVSEVKA-ZETCQYMHSA-N 1 0 202.204 -0.019 20 30 BBEDRO C[NH+](C)C[C@H](O)CNc1cc(C#N)cnn1 ZINC000717301329 712645693 /nfs/dbraw/zinc/64/56/93/712645693.db2.gz XISMTMBHIVPALX-SECBINFHSA-N 1 0 221.264 -0.317 20 30 BBEDRO C[NH+](C)C[C@@H](O)CNc1cc(C#N)cnn1 ZINC000717301331 712645705 /nfs/dbraw/zinc/64/57/05/712645705.db2.gz XISMTMBHIVPALX-VIFPVBQESA-N 1 0 221.264 -0.317 20 30 BBEDRO Cc1nc(C#N)cc(NC[C@H](O)C[NH+](C)C)n1 ZINC000717301787 712645770 /nfs/dbraw/zinc/64/57/70/712645770.db2.gz ZOXXBIXYGVSTHG-JTQLQIEISA-N 1 0 235.291 -0.009 20 30 BBEDRO Cc1nc(C#N)cc(NC[C@@H](O)C[NH+](C)C)n1 ZINC000717301788 712645863 /nfs/dbraw/zinc/64/58/63/712645863.db2.gz ZOXXBIXYGVSTHG-SNVBAGLBSA-N 1 0 235.291 -0.009 20 30 BBEDRO C[NH+](C)C[C@H](O)CNc1ccnc(C#N)c1 ZINC000717355059 712650528 /nfs/dbraw/zinc/65/05/28/712650528.db2.gz ITTLHBKXXFGWQZ-LLVKDONJSA-N 1 0 220.276 -0.290 20 30 BBEDRO C[NH+](C)C[C@@H](O)CNc1ccnc(C#N)c1 ZINC000717355062 712650545 /nfs/dbraw/zinc/65/05/45/712650545.db2.gz ITTLHBKXXFGWQZ-NSHDSACASA-N 1 0 220.276 -0.290 20 30 BBEDRO C[NH+](C)C[C@H](O)CNc1ccnc(C#N)n1 ZINC000717355273 712650406 /nfs/dbraw/zinc/65/04/06/712650406.db2.gz KRJWLAABRLHBMU-MRVPVSSYSA-N 1 0 221.264 -0.895 20 30 BBEDRO C[NH+](C)C[C@@H](O)CNc1ccnc(C#N)n1 ZINC000717355275 712650306 /nfs/dbraw/zinc/65/03/06/712650306.db2.gz KRJWLAABRLHBMU-QMMMGPOBSA-N 1 0 221.264 -0.895 20 30 BBEDRO C[NH+](C)C[C@H](O)CNc1ncncc1C#N ZINC000717355643 712650210 /nfs/dbraw/zinc/65/02/10/712650210.db2.gz MSSPSGHWTWGYDQ-SECBINFHSA-N 1 0 221.264 -0.895 20 30 BBEDRO C[NH+](C)C[C@@H](O)CNc1ncncc1C#N ZINC000717355644 712650513 /nfs/dbraw/zinc/65/05/13/712650513.db2.gz MSSPSGHWTWGYDQ-VIFPVBQESA-N 1 0 221.264 -0.895 20 30 BBEDRO Cc1cc(C#N)nc(NC[C@H](O)C[NH+](C)C)n1 ZINC000717362706 712652246 /nfs/dbraw/zinc/65/22/46/712652246.db2.gz BBUNMXRSJMRTCS-JTQLQIEISA-N 1 0 235.291 -0.009 20 30 BBEDRO Cc1cc(C#N)nc(NC[C@@H](O)C[NH+](C)C)n1 ZINC000717362709 712652252 /nfs/dbraw/zinc/65/22/52/712652252.db2.gz BBUNMXRSJMRTCS-SNVBAGLBSA-N 1 0 235.291 -0.009 20 30 BBEDRO C#CCNC(=O)CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000717458866 712659371 /nfs/dbraw/zinc/65/93/71/712659371.db2.gz RHVRRABVACIMIH-NWDGAFQWSA-N 1 0 235.331 -0.096 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCS(=O)(=O)CC ZINC000717459174 712659347 /nfs/dbraw/zinc/65/93/47/712659347.db2.gz MGIMBJKOZGJRNQ-MRVPVSSYSA-N 1 0 207.295 -0.442 20 30 BBEDRO CC(C)(C)[NH2+]CCC(=O)NCC#CCO ZINC000717460359 712659227 /nfs/dbraw/zinc/65/92/27/712659227.db2.gz PJXDUNFVVLKXKX-UHFFFAOYSA-N 1 0 212.293 -0.124 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H]1CN(CC)C(=O)O1 ZINC000717461525 712659562 /nfs/dbraw/zinc/65/95/62/712659562.db2.gz BEHFHYVMYCEBTM-BDAKNGLRSA-N 1 0 214.265 -0.036 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CN(CC)C(=O)O1 ZINC000717461531 712659515 /nfs/dbraw/zinc/65/95/15/712659515.db2.gz BEHFHYVMYCEBTM-RKDXNWHRSA-N 1 0 214.265 -0.036 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCN1CCOC1=O ZINC000717464300 712659575 /nfs/dbraw/zinc/65/95/75/712659575.db2.gz LHIZVUVYBJILNS-MRVPVSSYSA-N 1 0 200.238 -0.425 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@]1(OC)CCOC1 ZINC000717467663 712659547 /nfs/dbraw/zinc/65/95/47/712659547.db2.gz QOVNIDZZWDWVAR-NXEZZACHSA-N 1 0 201.266 -0.072 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@]1(OC)CCOC1 ZINC000717467668 712659540 /nfs/dbraw/zinc/65/95/40/712659540.db2.gz QOVNIDZZWDWVAR-ZJUUUORDSA-N 1 0 201.266 -0.072 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCCN1CCOC1=O ZINC000717468126 712659517 /nfs/dbraw/zinc/65/95/17/712659517.db2.gz RMOMTLABLQYYFP-SECBINFHSA-N 1 0 214.265 -0.035 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000717468480 712659603 /nfs/dbraw/zinc/65/96/03/712659603.db2.gz UHBBEKHWTHURPR-BDAKNGLRSA-N 1 0 219.306 -0.300 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000717468485 712659535 /nfs/dbraw/zinc/65/95/35/712659535.db2.gz UHBBEKHWTHURPR-RKDXNWHRSA-N 1 0 219.306 -0.300 20 30 BBEDRO C=CCC1(O)CC[NH+](C[C@H](O)CO)CC1 ZINC000717491956 712659990 /nfs/dbraw/zinc/65/99/90/712659990.db2.gz AOMRUNKHGGNVEM-JTQLQIEISA-N 1 0 215.293 -0.257 20 30 BBEDRO C=CCC1(O)CC[NH+](C[C@@H](O)CO)CC1 ZINC000717491957 712659895 /nfs/dbraw/zinc/65/98/95/712659895.db2.gz AOMRUNKHGGNVEM-SNVBAGLBSA-N 1 0 215.293 -0.257 20 30 BBEDRO O=C(NCC#CCO)C12CC[NH+](CC1)C2 ZINC000717493073 712659959 /nfs/dbraw/zinc/65/99/59/712659959.db2.gz IEGPJYKGUDVBTH-UHFFFAOYSA-N 1 0 208.261 -0.806 20 30 BBEDRO C=C[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000717493704 712659956 /nfs/dbraw/zinc/65/99/56/712659956.db2.gz TYJIXMMMOAXNMW-SECBINFHSA-N 1 0 210.277 -0.255 20 30 BBEDRO C=C[C@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000717532426 712660666 /nfs/dbraw/zinc/66/06/66/712660666.db2.gz JCRORRWMLPLTSN-AFPNSQJFSA-N 1 0 219.306 -0.302 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1nnc[nH]1 ZINC000717580952 712661538 /nfs/dbraw/zinc/66/15/38/712661538.db2.gz RWDONAMWGMEZFU-UHFFFAOYSA-N 1 0 207.237 -0.901 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cn[nH]c1 ZINC000717581530 712661497 /nfs/dbraw/zinc/66/14/97/712661497.db2.gz ZVZAKJQTQQJWRE-UHFFFAOYSA-N 1 0 206.249 -0.296 20 30 BBEDRO Cn1ccc(C(=O)NCC#CC[NH+](C)C)cc1=O ZINC000717595348 712661220 /nfs/dbraw/zinc/66/12/20/712661220.db2.gz ORWCYGCTAVVADY-UHFFFAOYSA-N 1 0 247.298 -0.320 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1ncccc1N ZINC000717598969 711606257 /nfs/dbraw/zinc/60/62/57/711606257.db2.gz IVZRSQZEBGVUDK-UHFFFAOYSA-N 1 0 232.287 -0.041 20 30 BBEDRO COC(=O)c1nccc(NCC#CC[NH+](C)C)n1 ZINC000717627648 712661916 /nfs/dbraw/zinc/66/19/16/712661916.db2.gz DAKBYEPMDITNEG-UHFFFAOYSA-N 1 0 248.286 -0.338 20 30 BBEDRO N#CCCNC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000717633848 712662089 /nfs/dbraw/zinc/66/20/89/712662089.db2.gz WRZZSBLJKDDVAW-JTQLQIEISA-N 1 0 225.292 -0.233 20 30 BBEDRO N#CCCNC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000717633850 712661931 /nfs/dbraw/zinc/66/19/31/712661931.db2.gz WRZZSBLJKDDVAW-SNVBAGLBSA-N 1 0 225.292 -0.233 20 30 BBEDRO CCNC(NCC1(CO)COC1)=[NH+]CC ZINC000717677812 712664082 /nfs/dbraw/zinc/66/40/82/712664082.db2.gz SYWGIGHGEFJPMT-UHFFFAOYSA-N 1 0 215.297 -0.430 20 30 BBEDRO Cn1ncc(C(=O)NCC#CC[NH+](C)C)c1N ZINC000717689519 712665160 /nfs/dbraw/zinc/66/51/60/712665160.db2.gz FDNZEEWLOANBJV-UHFFFAOYSA-N 1 0 235.291 -0.703 20 30 BBEDRO COC(OC)C(=O)NCC#CC[NH+](C)C ZINC000717691476 712664874 /nfs/dbraw/zinc/66/48/74/712664874.db2.gz VPCQAVCFIIPFJG-UHFFFAOYSA-N 1 0 214.265 -0.714 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)COCC ZINC000717709188 712664325 /nfs/dbraw/zinc/66/43/25/712664325.db2.gz HLGMMTXLJHKZSM-NXEZZACHSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)COCC ZINC000717709190 712664564 /nfs/dbraw/zinc/66/45/64/712664564.db2.gz HLGMMTXLJHKZSM-UWVGGRQHSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)COCC ZINC000717709286 712666046 /nfs/dbraw/zinc/66/60/46/712666046.db2.gz HLGMMTXLJHKZSM-VHSXEESVSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)COCC ZINC000717709288 712665890 /nfs/dbraw/zinc/66/58/90/712665890.db2.gz HLGMMTXLJHKZSM-ZJUUUORDSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000717711583 712666300 /nfs/dbraw/zinc/66/63/00/712666300.db2.gz YIMKIRHVGYNYHJ-BQBZGAKWSA-N 1 0 211.183 -0.117 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000717711584 712666199 /nfs/dbraw/zinc/66/61/99/712666199.db2.gz YIMKIRHVGYNYHJ-NKWVEPMBSA-N 1 0 211.183 -0.117 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000717711585 712666258 /nfs/dbraw/zinc/66/62/58/712666258.db2.gz YIMKIRHVGYNYHJ-RNFRBKRXSA-N 1 0 211.183 -0.117 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000717711586 712666446 /nfs/dbraw/zinc/66/64/46/712666446.db2.gz YIMKIRHVGYNYHJ-RQJHMYQMSA-N 1 0 211.183 -0.117 20 30 BBEDRO C#CC[C@H](CO)[NH2+]CCS(=O)(=O)CC ZINC000717711664 712666346 /nfs/dbraw/zinc/66/63/46/712666346.db2.gz YKRGRAFALUHHQM-SECBINFHSA-N 1 0 219.306 -0.605 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]CCS(=O)(=O)CC ZINC000717711667 712666213 /nfs/dbraw/zinc/66/62/13/712666213.db2.gz YKRGRAFALUHHQM-VIFPVBQESA-N 1 0 219.306 -0.605 20 30 BBEDRO CC#CC[C@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000717726720 712667675 /nfs/dbraw/zinc/66/76/75/712667675.db2.gz FBICAXGVRKKVEA-KPPDAEKUSA-N 1 0 245.344 -0.074 20 30 BBEDRO CC#CC[C@@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000717726722 712667665 /nfs/dbraw/zinc/66/76/65/712667665.db2.gz FBICAXGVRKKVEA-WHXUTIOJSA-N 1 0 245.344 -0.074 20 30 BBEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000717729036 712667739 /nfs/dbraw/zinc/66/77/39/712667739.db2.gz SBHKVKZFBGKCIS-NXEZZACHSA-N 1 0 210.277 -0.371 20 30 BBEDRO C#CC[C@@H](CO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000717729037 712667740 /nfs/dbraw/zinc/66/77/40/712667740.db2.gz SBHKVKZFBGKCIS-UWVGGRQHSA-N 1 0 210.277 -0.371 20 30 BBEDRO C#CC[C@H](CO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000717729040 712667904 /nfs/dbraw/zinc/66/79/04/712667904.db2.gz SBHKVKZFBGKCIS-VHSXEESVSA-N 1 0 210.277 -0.371 20 30 BBEDRO C#CC[C@@H](CO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000717729042 712667948 /nfs/dbraw/zinc/66/79/48/712667948.db2.gz SBHKVKZFBGKCIS-ZJUUUORDSA-N 1 0 210.277 -0.371 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000717734381 712669280 /nfs/dbraw/zinc/66/92/80/712669280.db2.gz XBAYYQJPWMEYGH-GHMZBOCLSA-N 1 0 215.293 -0.254 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000717734382 712669327 /nfs/dbraw/zinc/66/93/27/712669327.db2.gz XBAYYQJPWMEYGH-MNOVXSKESA-N 1 0 215.293 -0.254 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000717734383 712669244 /nfs/dbraw/zinc/66/92/44/712669244.db2.gz XBAYYQJPWMEYGH-QWRGUYRKSA-N 1 0 215.293 -0.254 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000717734384 712669274 /nfs/dbraw/zinc/66/92/74/712669274.db2.gz XBAYYQJPWMEYGH-WDEREUQCSA-N 1 0 215.293 -0.254 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc(N(C)C)n1C ZINC000717762769 712674372 /nfs/dbraw/zinc/67/43/72/712674372.db2.gz UGORKROBFYGDJU-JTQLQIEISA-N 1 0 236.319 -0.040 20 30 BBEDRO C#CC[C@H](CO)[NH2+]Cc1cnc(N(C)C)n1C ZINC000717762771 712674228 /nfs/dbraw/zinc/67/42/28/712674228.db2.gz UGORKROBFYGDJU-SNVBAGLBSA-N 1 0 236.319 -0.040 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@]1(OC)CCOC1 ZINC000717765382 712674404 /nfs/dbraw/zinc/67/44/04/712674404.db2.gz QBWHAMZHMZLCFC-GHMZBOCLSA-N 1 0 213.277 -0.234 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@]1(OC)CCOC1 ZINC000717765386 712674099 /nfs/dbraw/zinc/67/40/99/712674099.db2.gz QBWHAMZHMZLCFC-MNOVXSKESA-N 1 0 213.277 -0.234 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@]1(OC)CCOC1 ZINC000717765389 712674109 /nfs/dbraw/zinc/67/41/09/712674109.db2.gz QBWHAMZHMZLCFC-QWRGUYRKSA-N 1 0 213.277 -0.234 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@]1(OC)CCOC1 ZINC000717765392 712674076 /nfs/dbraw/zinc/67/40/76/712674076.db2.gz QBWHAMZHMZLCFC-WDEREUQCSA-N 1 0 213.277 -0.234 20 30 BBEDRO C#CC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000717783846 712676217 /nfs/dbraw/zinc/67/62/17/712676217.db2.gz NZQUYLPBHLJZFA-NXEZZACHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000717783848 712676144 /nfs/dbraw/zinc/67/61/44/712676144.db2.gz NZQUYLPBHLJZFA-UWVGGRQHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000717783850 712676089 /nfs/dbraw/zinc/67/60/89/712676089.db2.gz NZQUYLPBHLJZFA-VHSXEESVSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000717783854 712676141 /nfs/dbraw/zinc/67/61/41/712676141.db2.gz NZQUYLPBHLJZFA-ZJUUUORDSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC000717794544 712678105 /nfs/dbraw/zinc/67/81/05/712678105.db2.gz NOBQSODBYBFSJX-IJLUTSLNSA-N 1 0 245.319 -0.627 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC000717794545 712677959 /nfs/dbraw/zinc/67/79/59/712677959.db2.gz NOBQSODBYBFSJX-QJPTWQEYSA-N 1 0 245.319 -0.627 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC000717794547 712678331 /nfs/dbraw/zinc/67/83/31/712678331.db2.gz NOBQSODBYBFSJX-TUAOUCFPSA-N 1 0 245.319 -0.627 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CO[C@H](C)COC ZINC000717794548 712678267 /nfs/dbraw/zinc/67/82/67/712678267.db2.gz NOBQSODBYBFSJX-UTUOFQBUSA-N 1 0 245.319 -0.627 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000717804460 712680331 /nfs/dbraw/zinc/68/03/31/712680331.db2.gz ZXQICEYLBQNRRX-LLVKDONJSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000717804461 712680575 /nfs/dbraw/zinc/68/05/75/712680575.db2.gz ZXQICEYLBQNRRX-NSHDSACASA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]Cc1ccnc(OC)n1 ZINC000717829128 712681760 /nfs/dbraw/zinc/68/17/60/712681760.db2.gz KHQIXTWTFFXHKT-JTQLQIEISA-N 1 0 221.260 -0.041 20 30 BBEDRO C#CC[C@H](CO)[NH2+]Cc1ccnc(OC)n1 ZINC000717829132 712681722 /nfs/dbraw/zinc/68/17/22/712681722.db2.gz KHQIXTWTFFXHKT-SNVBAGLBSA-N 1 0 221.260 -0.041 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CCC(=O)OCC ZINC000717829471 712682219 /nfs/dbraw/zinc/68/22/19/712682219.db2.gz JEBDLWLAVJJQTL-GHMZBOCLSA-N 1 0 243.303 -0.336 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CCC(=O)OCC ZINC000717829474 712682154 /nfs/dbraw/zinc/68/21/54/712682154.db2.gz JEBDLWLAVJJQTL-MNOVXSKESA-N 1 0 243.303 -0.336 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CCC(=O)OCC ZINC000717829477 712682197 /nfs/dbraw/zinc/68/21/97/712682197.db2.gz JEBDLWLAVJJQTL-QWRGUYRKSA-N 1 0 243.303 -0.336 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CCC(=O)OCC ZINC000717829479 712682234 /nfs/dbraw/zinc/68/22/34/712682234.db2.gz JEBDLWLAVJJQTL-WDEREUQCSA-N 1 0 243.303 -0.336 20 30 BBEDRO CC#CC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000717831688 712682864 /nfs/dbraw/zinc/68/28/64/712682864.db2.gz WMDLEAIJMJQHDU-LLVKDONJSA-N 1 0 236.315 -0.027 20 30 BBEDRO CC#CC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000717831692 712682832 /nfs/dbraw/zinc/68/28/32/712682832.db2.gz WMDLEAIJMJQHDU-NSHDSACASA-N 1 0 236.315 -0.027 20 30 BBEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000717832874 712683197 /nfs/dbraw/zinc/68/31/97/712683197.db2.gz ZDJQFLFKHWKPNH-GHMZBOCLSA-N 1 0 245.344 -0.073 20 30 BBEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000717832875 711627069 /nfs/dbraw/zinc/62/70/69/711627069.db2.gz ZDJQFLFKHWKPNH-MNOVXSKESA-N 1 0 245.344 -0.073 20 30 BBEDRO CC#CC[C@@H](CO)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000717832877 712683213 /nfs/dbraw/zinc/68/32/13/712683213.db2.gz ZDJQFLFKHWKPNH-QWRGUYRKSA-N 1 0 245.344 -0.073 20 30 BBEDRO CC#CC[C@@H](CO)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000717832879 712683249 /nfs/dbraw/zinc/68/32/49/712683249.db2.gz ZDJQFLFKHWKPNH-WDEREUQCSA-N 1 0 245.344 -0.073 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000717841846 712691920 /nfs/dbraw/zinc/69/19/20/712691920.db2.gz WXWLJYBXZXGNPQ-IDKOKCKLSA-N 1 0 231.317 -0.464 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000717841847 712691968 /nfs/dbraw/zinc/69/19/68/712691968.db2.gz WXWLJYBXZXGNPQ-XNWIYYODSA-N 1 0 231.317 -0.464 20 30 BBEDRO C=C(Cl)Cn1cc(C[C@@H]([NH3+])CO)nn1 ZINC000717846176 712693837 /nfs/dbraw/zinc/69/38/37/712693837.db2.gz JBFRETFNWFSHBN-SSDOTTSWSA-N 1 0 216.672 -0.107 20 30 BBEDRO C=C(Cl)Cn1cc(C[C@H]([NH3+])CO)nn1 ZINC000717846177 712693834 /nfs/dbraw/zinc/69/38/34/712693834.db2.gz JBFRETFNWFSHBN-ZETCQYMHSA-N 1 0 216.672 -0.107 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)COC ZINC000717880117 712704788 /nfs/dbraw/zinc/70/47/88/712704788.db2.gz RALKRHUPXGTRJH-NXEZZACHSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)COC ZINC000717880119 712704770 /nfs/dbraw/zinc/70/47/70/712704770.db2.gz RALKRHUPXGTRJH-UWVGGRQHSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)COC ZINC000717880120 712704763 /nfs/dbraw/zinc/70/47/63/712704763.db2.gz RALKRHUPXGTRJH-VHSXEESVSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)COC ZINC000717880122 712704773 /nfs/dbraw/zinc/70/47/73/712704773.db2.gz RALKRHUPXGTRJH-ZJUUUORDSA-N 1 0 201.266 -0.642 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000717887326 712731231 /nfs/dbraw/zinc/73/12/31/712731231.db2.gz OHGNDLIHVGBLMU-NEPJUHHUSA-N 1 0 237.303 -0.392 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000717887327 712731237 /nfs/dbraw/zinc/73/12/37/712731237.db2.gz OHGNDLIHVGBLMU-NWDGAFQWSA-N 1 0 237.303 -0.392 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000717887328 712731570 /nfs/dbraw/zinc/73/15/70/712731570.db2.gz OHGNDLIHVGBLMU-RYUDHWBXSA-N 1 0 237.303 -0.392 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000717887329 712731153 /nfs/dbraw/zinc/73/11/53/712731153.db2.gz OHGNDLIHVGBLMU-VXGBXAGGSA-N 1 0 237.303 -0.392 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]CCS(=O)(=O)CC ZINC000717894920 712732149 /nfs/dbraw/zinc/73/21/49/712732149.db2.gz GMHJEOMSYTTXMP-JTQLQIEISA-N 1 0 233.333 -0.215 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]CCS(=O)(=O)CC ZINC000717894923 712732030 /nfs/dbraw/zinc/73/20/30/712732030.db2.gz GMHJEOMSYTTXMP-SNVBAGLBSA-N 1 0 233.333 -0.215 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000717895655 712731867 /nfs/dbraw/zinc/73/18/67/712731867.db2.gz KYADAOLGMXGSBB-CHWSQXEVSA-N 1 0 240.347 -0.195 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000717895657 712731882 /nfs/dbraw/zinc/73/18/82/712731882.db2.gz KYADAOLGMXGSBB-OLZOCXBDSA-N 1 0 240.347 -0.195 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000717895658 712731917 /nfs/dbraw/zinc/73/19/17/712731917.db2.gz KYADAOLGMXGSBB-QWHCGFSZSA-N 1 0 240.347 -0.195 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)COCC ZINC000717896597 712732019 /nfs/dbraw/zinc/73/20/19/712732019.db2.gz SFVVMBJZKUIMNF-GHMZBOCLSA-N 1 0 215.293 -0.252 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)COCC ZINC000717896599 712731995 /nfs/dbraw/zinc/73/19/95/712731995.db2.gz SFVVMBJZKUIMNF-MNOVXSKESA-N 1 0 215.293 -0.252 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)COCC ZINC000717896601 712731987 /nfs/dbraw/zinc/73/19/87/712731987.db2.gz SFVVMBJZKUIMNF-QWRGUYRKSA-N 1 0 215.293 -0.252 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)COCC ZINC000717896603 712732124 /nfs/dbraw/zinc/73/21/24/712732124.db2.gz SFVVMBJZKUIMNF-WDEREUQCSA-N 1 0 215.293 -0.252 20 30 BBEDRO COCCOCC(=O)NCC#CC[NH+](C)C ZINC000717957383 712735008 /nfs/dbraw/zinc/73/50/08/712735008.db2.gz AGTDWWYLEPABTE-UHFFFAOYSA-N 1 0 228.292 -0.669 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)CCCCO ZINC000717958743 712735210 /nfs/dbraw/zinc/73/52/10/712735210.db2.gz MYBTYECSMITKIS-UHFFFAOYSA-N 1 0 212.293 -0.170 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC000717960215 712735045 /nfs/dbraw/zinc/73/50/45/712735045.db2.gz MSPMCKBKGZCFKK-LLVKDONJSA-N 1 0 236.315 -0.027 20 30 BBEDRO C#CCC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC000717960218 712735342 /nfs/dbraw/zinc/73/53/42/712735342.db2.gz MSPMCKBKGZCFKK-NSHDSACASA-N 1 0 236.315 -0.027 20 30 BBEDRO C#C[C@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000718113089 712744153 /nfs/dbraw/zinc/74/41/53/712744153.db2.gz CAVFBDNCPIJGLI-GHMZBOCLSA-N 1 0 212.293 -0.973 20 30 BBEDRO C#C[C@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000718113090 712744099 /nfs/dbraw/zinc/74/40/99/712744099.db2.gz CAVFBDNCPIJGLI-MNOVXSKESA-N 1 0 212.293 -0.973 20 30 BBEDRO C#C[C@@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000718113093 712744065 /nfs/dbraw/zinc/74/40/65/712744065.db2.gz CAVFBDNCPIJGLI-QWRGUYRKSA-N 1 0 212.293 -0.973 20 30 BBEDRO C#C[C@@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000718113095 712743833 /nfs/dbraw/zinc/74/38/33/712743833.db2.gz CAVFBDNCPIJGLI-WDEREUQCSA-N 1 0 212.293 -0.973 20 30 BBEDRO C#C[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000718142903 712747989 /nfs/dbraw/zinc/74/79/89/712747989.db2.gz HUOCIHBCXPFLDY-SECBINFHSA-N 1 0 208.261 -0.808 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000718142904 712748232 /nfs/dbraw/zinc/74/82/32/712748232.db2.gz HUOCIHBCXPFLDY-VIFPVBQESA-N 1 0 208.261 -0.808 20 30 BBEDRO C#C[C@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000718143801 712748881 /nfs/dbraw/zinc/74/88/81/712748881.db2.gz NQOABFOJBXDCRD-LLVKDONJSA-N 1 0 236.315 -0.027 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000718143803 712748565 /nfs/dbraw/zinc/74/85/65/712748565.db2.gz NQOABFOJBXDCRD-NSHDSACASA-N 1 0 236.315 -0.027 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000718154949 712749223 /nfs/dbraw/zinc/74/92/23/712749223.db2.gz AFWCCUVWPXTAAV-JTQLQIEISA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000718154951 712749150 /nfs/dbraw/zinc/74/91/50/712749150.db2.gz AFWCCUVWPXTAAV-SNVBAGLBSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000718164450 712750556 /nfs/dbraw/zinc/75/05/56/712750556.db2.gz NLHUQLBBKQLWJZ-SECBINFHSA-N 1 0 212.293 -0.125 20 30 BBEDRO C#C[C@@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000718164451 711646176 /nfs/dbraw/zinc/64/61/76/711646176.db2.gz NLHUQLBBKQLWJZ-VIFPVBQESA-N 1 0 212.293 -0.125 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718585663 712775466 /nfs/dbraw/zinc/77/54/66/712775466.db2.gz RYGAXSOITQCLMW-AOOOYVTPSA-N 1 0 208.261 -0.686 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000718988379 712792004 /nfs/dbraw/zinc/79/20/04/712792004.db2.gz MIWKSGWYTLAXFU-JTQLQIEISA-N 1 0 240.303 -0.017 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718988381 712792403 /nfs/dbraw/zinc/79/24/03/712792403.db2.gz MIWKSGWYTLAXFU-SNVBAGLBSA-N 1 0 240.303 -0.017 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719079307 712796082 /nfs/dbraw/zinc/79/60/82/712796082.db2.gz GZKXUCYLHHSWIF-JTQLQIEISA-N 1 0 238.287 -0.569 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719079309 712796176 /nfs/dbraw/zinc/79/61/76/712796176.db2.gz GZKXUCYLHHSWIF-SNVBAGLBSA-N 1 0 238.287 -0.569 20 30 BBEDRO C#CCNC(=O)CN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720434043 712842224 /nfs/dbraw/zinc/84/22/24/712842224.db2.gz QZWDZPWXYRHGIU-NEPJUHHUSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCNC(=O)CN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720434045 712842395 /nfs/dbraw/zinc/84/23/95/712842395.db2.gz QZWDZPWXYRHGIU-NWDGAFQWSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCNC(=O)CN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720434048 712842292 /nfs/dbraw/zinc/84/22/92/712842292.db2.gz QZWDZPWXYRHGIU-RYUDHWBXSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCNC(=O)CN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720434051 712842582 /nfs/dbraw/zinc/84/25/82/712842582.db2.gz QZWDZPWXYRHGIU-VXGBXAGGSA-N 1 0 235.331 -0.096 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720815595 712868162 /nfs/dbraw/zinc/86/81/62/712868162.db2.gz FZCYWONRCWNMAH-SECBINFHSA-N 1 0 211.309 -0.042 20 30 BBEDRO C=CCNC(=O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720815597 712868393 /nfs/dbraw/zinc/86/83/93/712868393.db2.gz FZCYWONRCWNMAH-VIFPVBQESA-N 1 0 211.309 -0.042 20 30 BBEDRO C=CCNC(=O)NCCN1CCC([NH3+])CC1 ZINC000721881217 710690881 /nfs/dbraw/zinc/69/08/81/710690881.db2.gz KUJAPAQWRAWAER-UHFFFAOYSA-N 1 0 226.324 -0.105 20 30 BBEDRO N#C[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000722250009 711731527 /nfs/dbraw/zinc/73/15/27/711731527.db2.gz YYJGSLHLSIJFML-MRVPVSSYSA-N 1 0 229.305 -0.476 20 30 BBEDRO N#C[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000722250011 711731493 /nfs/dbraw/zinc/73/14/93/711731493.db2.gz YYJGSLHLSIJFML-QMMMGPOBSA-N 1 0 229.305 -0.476 20 30 BBEDRO C[C@]1(CO)CCC[N@@H+]1CC(=O)NCCC#N ZINC000723032651 710723667 /nfs/dbraw/zinc/72/36/67/710723667.db2.gz UJDHPWRWOABPCD-LLVKDONJSA-N 1 0 225.292 -0.137 20 30 BBEDRO C[C@@]1(CO)CCC[N@@H+]1CC(=O)NCCC#N ZINC000723032652 710723173 /nfs/dbraw/zinc/72/31/73/710723173.db2.gz UJDHPWRWOABPCD-NSHDSACASA-N 1 0 225.292 -0.137 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@]1(C)CO ZINC000723043928 711498062 /nfs/dbraw/zinc/49/80/62/711498062.db2.gz KBTDVAYBSUIQAO-LLVKDONJSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@]1(C)CO ZINC000723043931 711497750 /nfs/dbraw/zinc/49/77/50/711497750.db2.gz KBTDVAYBSUIQAO-NSHDSACASA-N 1 0 210.277 -0.417 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723470237 710727919 /nfs/dbraw/zinc/72/79/19/710727919.db2.gz RLGAWNCRYLIZDF-OPRDCNLKSA-N 1 0 211.309 -0.044 20 30 BBEDRO CNC(NCC(C)(C)CS(C)(=O)=O)=[NH+]C ZINC000723856922 711731148 /nfs/dbraw/zinc/73/11/48/711731148.db2.gz VRXYSJVNIXMNHR-UHFFFAOYSA-N 1 0 235.353 -0.148 20 30 BBEDRO CNC(NC[C@H]1C[C@@H]2COC[C@@H]2O1)=[NH+]C ZINC000724541453 711587083 /nfs/dbraw/zinc/58/70/83/711587083.db2.gz LXPVRVOAINTUPQ-HLTSFMKQSA-N 1 0 213.281 -0.415 20 30 BBEDRO CNC(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)=[NH+]C ZINC000724541455 711587195 /nfs/dbraw/zinc/58/71/95/711587195.db2.gz LXPVRVOAINTUPQ-VGMNWLOBSA-N 1 0 213.281 -0.415 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724653424 711605970 /nfs/dbraw/zinc/60/59/70/711605970.db2.gz QOUARWQMEKVYRE-CHWFTXMASA-N 1 0 213.277 -0.073 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724653425 712392432 /nfs/dbraw/zinc/39/24/32/712392432.db2.gz QOUARWQMEKVYRE-VLEAKVRGSA-N 1 0 213.277 -0.073 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724653426 711605842 /nfs/dbraw/zinc/60/58/42/711605842.db2.gz QOUARWQMEKVYRE-ZRUFSTJUSA-N 1 0 213.277 -0.073 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1COCC[C@H]1OC ZINC000724889678 711625745 /nfs/dbraw/zinc/62/57/45/711625745.db2.gz ACQCJUPKUFKCAM-HBNTYKKESA-N 1 0 240.303 -0.482 20 30 BBEDRO C=CCNC(=O)CN(C)C1(C[NH3+])CCOCC1 ZINC000725053573 711647386 /nfs/dbraw/zinc/64/73/86/711647386.db2.gz CWVYCDANROXWKP-UHFFFAOYSA-N 1 0 241.335 -0.272 20 30 BBEDRO C=CC(C)(C)NS(=O)(=O)C1C[NH2+]C1 ZINC000725621002 711752743 /nfs/dbraw/zinc/75/27/43/711752743.db2.gz YFIQDFYYFVDMBB-UHFFFAOYSA-N 1 0 204.295 -0.158 20 30 BBEDRO C#CCC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000725655506 711668465 /nfs/dbraw/zinc/66/84/65/711668465.db2.gz HTLDUJPJWCOVHX-AOOOYVTPSA-N 1 0 213.302 -0.014 20 30 BBEDRO CNC(NCCN1CCO[C@H](C)C1)=[NH+]C ZINC000727241405 583624628 /nfs/dbraw/zinc/62/46/28/583624628.db2.gz FSPQBKIXDKOPOK-SECBINFHSA-N 1 0 214.313 -0.498 20 30 BBEDRO CNC(NCCN1CCO[C@@H](C)C1)=[NH+]C ZINC000727241406 583624698 /nfs/dbraw/zinc/62/46/98/583624698.db2.gz FSPQBKIXDKOPOK-VIFPVBQESA-N 1 0 214.313 -0.498 20 30 BBEDRO CNC(NCC(=O)NC1CCCC1)=[NH+]C ZINC000727969554 636230280 /nfs/dbraw/zinc/23/02/80/636230280.db2.gz MNLFXDWBDPJDBK-UHFFFAOYSA-N 1 0 212.297 -0.160 20 30 BBEDRO CNC(NCCCN1CCCS1(=O)=O)=[NH+]C ZINC000727969592 636230995 /nfs/dbraw/zinc/23/09/95/636230995.db2.gz NECKXPONKAUVAL-UHFFFAOYSA-N 1 0 248.352 -0.793 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)NC)CC1 ZINC000727995150 583843062 /nfs/dbraw/zinc/84/30/62/583843062.db2.gz LXPNOTJNCYTMFQ-UHFFFAOYSA-N 1 0 238.287 -0.379 20 30 BBEDRO C[NH+](C)CCNC(=S)N1CCO[C@H](C#N)C1 ZINC000729943741 584031152 /nfs/dbraw/zinc/03/11/52/584031152.db2.gz OKVNASOZROQQRD-SECBINFHSA-N 1 0 242.348 -0.353 20 30 BBEDRO C[NH+](C)CCNC(=S)N1CCO[C@@H](C#N)C1 ZINC000729943742 584030962 /nfs/dbraw/zinc/03/09/62/584030962.db2.gz OKVNASOZROQQRD-VIFPVBQESA-N 1 0 242.348 -0.353 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)N(C)CC(=O)OC ZINC000732056765 584933347 /nfs/dbraw/zinc/93/33/47/584933347.db2.gz VUUAXMDRSOYCIJ-JTQLQIEISA-N 1 0 238.287 -0.285 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC ZINC000732059503 584933391 /nfs/dbraw/zinc/93/33/91/584933391.db2.gz LKXGCJPCBASBMQ-UWVGGRQHSA-N 1 0 237.303 -0.665 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C(=O)NC ZINC000732059504 584933262 /nfs/dbraw/zinc/93/32/62/584933262.db2.gz LKXGCJPCBASBMQ-ZJUUUORDSA-N 1 0 237.303 -0.665 20 30 BBEDRO C#CCNC(=O)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732214394 584934775 /nfs/dbraw/zinc/93/47/75/584934775.db2.gz QODDZVRBAKWARU-GFCCVEGCSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCNC(=O)CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732214395 584934687 /nfs/dbraw/zinc/93/46/87/584934687.db2.gz QODDZVRBAKWARU-LBPRGKRZSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH+](C)C ZINC000732306515 641829339 /nfs/dbraw/zinc/82/93/39/641829339.db2.gz ZZWBKKLHFVJKMY-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO C[NH+](C)C[C@H]1CCN(CC(=O)NCCC#N)C1 ZINC000733614328 584951274 /nfs/dbraw/zinc/95/12/74/584951274.db2.gz LXLDVWXVAWBQRY-LLVKDONJSA-N 1 0 238.335 -0.100 20 30 BBEDRO C[NH+](C)C[C@@H]1CCN(CC(=O)NCCC#N)C1 ZINC000733614329 584951400 /nfs/dbraw/zinc/95/14/00/584951400.db2.gz LXLDVWXVAWBQRY-NSHDSACASA-N 1 0 238.335 -0.100 20 30 BBEDRO C=CCNC(=O)C[NH2+]C1(C(=O)NC)CCCC1 ZINC000733896258 584954531 /nfs/dbraw/zinc/95/45/31/584954531.db2.gz OBFJDXUOCAKWCF-UHFFFAOYSA-N 1 0 239.319 -0.063 20 30 BBEDRO CNC(=O)C1([NH2+]CC(=O)NCC#N)CCCC1 ZINC000733999200 584956319 /nfs/dbraw/zinc/95/63/19/584956319.db2.gz LTPNBZZQBYHUQV-UHFFFAOYSA-N 1 0 238.291 -0.725 20 30 BBEDRO C#CCNC(=O)C[NH2+]C1(C(=O)NC)CCCC1 ZINC000733999792 584956256 /nfs/dbraw/zinc/95/62/56/584956256.db2.gz MZDRJLSXWUXDQB-UHFFFAOYSA-N 1 0 237.303 -0.616 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)NCc1cn[nH]n1 ZINC000734328842 584960005 /nfs/dbraw/zinc/96/00/05/584960005.db2.gz VBPXIRSIZGMHLZ-JTQLQIEISA-N 1 0 233.275 -0.482 20 30 BBEDRO C#CCNC(=O)CN1CCC[C@@H](OCCO)C1 ZINC000734485600 643499039 /nfs/dbraw/zinc/49/90/39/643499039.db2.gz OGZSLCBWVJZSAR-LLVKDONJSA-N 1 0 240.303 -0.791 20 30 BBEDRO C#CCNC(=O)CN1CCC[C@H](OCCO)C1 ZINC000734485601 643498193 /nfs/dbraw/zinc/49/81/93/643498193.db2.gz OGZSLCBWVJZSAR-NSHDSACASA-N 1 0 240.303 -0.791 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)OCC(N)=O)CC1 ZINC000735940924 643570399 /nfs/dbraw/zinc/57/03/99/643570399.db2.gz VZDRZUNWDRDURY-UHFFFAOYSA-N 1 0 224.260 -0.640 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)Nc1nnn[n-]1 ZINC000736155964 584991133 /nfs/dbraw/zinc/99/11/33/584991133.db2.gz GZNBVAUXNACIJX-ZETCQYMHSA-N 1 0 220.236 -0.764 20 30 BBEDRO NC(=[NH2+])N=NC1CC[NH+](CCCC(=O)[O-])CC1 ZINC000739145207 600003831 /nfs/dbraw/zinc/00/38/31/600003831.db2.gz ICTNHXARQZZGMV-UHFFFAOYSA-N 1 0 241.295 -0.214 20 30 BBEDRO COC[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000739920389 585085953 /nfs/dbraw/zinc/08/59/53/585085953.db2.gz KYVONDXUSBKUFQ-JTQLQIEISA-N 1 0 225.292 -0.015 20 30 BBEDRO COC[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000739920393 585085908 /nfs/dbraw/zinc/08/59/08/585085908.db2.gz KYVONDXUSBKUFQ-SNVBAGLBSA-N 1 0 225.292 -0.015 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CCCCO)C1CC1 ZINC000741250307 585111809 /nfs/dbraw/zinc/11/18/09/585111809.db2.gz JBEDASDMCDFXQE-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO COCCn1cc(C=NNC(N)=[NH2+])cn1 ZINC000743417860 585136280 /nfs/dbraw/zinc/13/62/80/585136280.db2.gz OMRFKPPVHIEIFA-UHFFFAOYSA-N 1 0 210.241 -0.654 20 30 BBEDRO CN1CCO[C@H](C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746183924 585164613 /nfs/dbraw/zinc/16/46/13/585164613.db2.gz QSOYCELCHXXQAP-JTQLQIEISA-N 1 0 249.274 -0.324 20 30 BBEDRO CN1CCO[C@@H](C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746183925 585164704 /nfs/dbraw/zinc/16/47/04/585164704.db2.gz QSOYCELCHXXQAP-SNVBAGLBSA-N 1 0 249.274 -0.324 20 30 BBEDRO C#CCCNC(=O)CN1CC[NH+](CC)CC1 ZINC000746258772 585166688 /nfs/dbraw/zinc/16/66/88/585166688.db2.gz BIGSUBGSZNTGSI-UHFFFAOYSA-N 1 0 223.320 -0.237 20 30 BBEDRO NC(=[NH2+])NN=Cc1cnc2cnccn12 ZINC000746367585 644584102 /nfs/dbraw/zinc/58/41/02/644584102.db2.gz OFEHPRRADXFCDD-UHFFFAOYSA-N 1 0 203.209 -0.454 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000746673577 585171826 /nfs/dbraw/zinc/17/18/26/585171826.db2.gz DMDVENLRZHLYHL-JTQLQIEISA-N 1 0 237.303 -0.677 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000746673579 585172075 /nfs/dbraw/zinc/17/20/75/585172075.db2.gz DMDVENLRZHLYHL-SNVBAGLBSA-N 1 0 237.303 -0.677 20 30 BBEDRO COC(=O)c1ccc(C=NNC(N)=[NH2+])[nH]1 ZINC000747624636 644585359 /nfs/dbraw/zinc/58/53/59/644585359.db2.gz PHPCZXYVEKWOFS-UHFFFAOYSA-N 1 0 209.209 -0.382 20 30 BBEDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)NCCC#N ZINC000747965511 585186364 /nfs/dbraw/zinc/18/63/64/585186364.db2.gz AGYVAXLAHWHATC-SECBINFHSA-N 1 0 240.307 -0.670 20 30 BBEDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)NCCC#N ZINC000747965514 585186502 /nfs/dbraw/zinc/18/65/02/585186502.db2.gz AGYVAXLAHWHATC-VIFPVBQESA-N 1 0 240.307 -0.670 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)NCc2cn[nH]n2)CC1 ZINC000748005567 585186361 /nfs/dbraw/zinc/18/63/61/585186361.db2.gz VMXSLNIRMOBXQJ-UHFFFAOYSA-N 1 0 247.302 -0.234 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000748536389 585193800 /nfs/dbraw/zinc/19/38/00/585193800.db2.gz DHEHNGYJNMXTKT-JTQLQIEISA-N 1 0 237.303 -0.534 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000748536397 585193695 /nfs/dbraw/zinc/19/36/95/585193695.db2.gz DHEHNGYJNMXTKT-SNVBAGLBSA-N 1 0 237.303 -0.534 20 30 BBEDRO CC(C)(C)[C@H]([NH2+]CC(=O)NCCC#N)C(N)=O ZINC000748825493 585197127 /nfs/dbraw/zinc/19/71/27/585197127.db2.gz WXWIBLMOATXKNH-SECBINFHSA-N 1 0 240.307 -0.494 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]1CC(=O)OC ZINC000749466556 585202784 /nfs/dbraw/zinc/20/27/84/585202784.db2.gz VYMVMKNABVGUIH-JTQLQIEISA-N 1 0 238.287 -0.237 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CC(=O)OC ZINC000749466559 585202678 /nfs/dbraw/zinc/20/26/78/585202678.db2.gz VYMVMKNABVGUIH-SNVBAGLBSA-N 1 0 238.287 -0.237 20 30 BBEDRO N#CCCNC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000750048294 585209610 /nfs/dbraw/zinc/20/96/10/585209610.db2.gz GITQRSDKRNSGHR-UHFFFAOYSA-N 1 0 238.291 -0.596 20 30 BBEDRO C#CCN1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000750196155 585212255 /nfs/dbraw/zinc/21/22/55/585212255.db2.gz SAKCIUSEZXRFQQ-NSHDSACASA-N 1 0 223.320 -0.286 20 30 BBEDRO CNC(NCc1ccc(-n2cncn2)nc1)=[NH+]C ZINC000750541883 585217123 /nfs/dbraw/zinc/21/71/23/585217123.db2.gz BSTRNJBYAIXPQF-UHFFFAOYSA-N 1 0 245.290 -0.043 20 30 BBEDRO CNC(NC[C@@H](O)COCC(C)C)=[NH+]C ZINC000750542036 585217292 /nfs/dbraw/zinc/21/72/92/585217292.db2.gz RFQIHFVGRJBWRT-SECBINFHSA-N 1 0 217.313 -0.185 20 30 BBEDRO CNC(NC[C@H](O)COCC(C)C)=[NH+]C ZINC000750542038 585217280 /nfs/dbraw/zinc/21/72/80/585217280.db2.gz RFQIHFVGRJBWRT-VIFPVBQESA-N 1 0 217.313 -0.185 20 30 BBEDRO CNC(NCCCN1CCCC1=O)=[NH+]C ZINC000750542687 585217267 /nfs/dbraw/zinc/21/72/67/585217267.db2.gz SFLCJRKWRMMSAX-UHFFFAOYSA-N 1 0 212.297 -0.206 20 30 BBEDRO CNC(NC[C@@H](O)COCC1CC1)=[NH+]C ZINC000750543158 585217303 /nfs/dbraw/zinc/21/73/03/585217303.db2.gz CDGYGDVWNQQCBI-SECBINFHSA-N 1 0 215.297 -0.431 20 30 BBEDRO CNC(NC[C@H](O)COCC1CC1)=[NH+]C ZINC000750543162 585217194 /nfs/dbraw/zinc/21/71/94/585217194.db2.gz CDGYGDVWNQQCBI-VIFPVBQESA-N 1 0 215.297 -0.431 20 30 BBEDRO C#CCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000751148009 585224822 /nfs/dbraw/zinc/22/48/22/585224822.db2.gz LKKJSTMCVZLKEI-UHFFFAOYSA-N 1 0 231.321 -0.733 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OC)C1 ZINC000752088144 585242180 /nfs/dbraw/zinc/24/21/80/585242180.db2.gz JZYRSVBJHUWPPU-NXEZZACHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](OC)C1 ZINC000752088149 585241927 /nfs/dbraw/zinc/24/19/27/585241927.db2.gz JZYRSVBJHUWPPU-VHSXEESVSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000752295485 585244621 /nfs/dbraw/zinc/24/46/21/585244621.db2.gz KMGJUXVBSIOTDH-LBPRGKRZSA-N 1 0 235.331 -0.094 20 30 BBEDRO C#CCOCCNC(=O)NCCC[NH+](C)C ZINC000753071864 583967265 /nfs/dbraw/zinc/96/72/65/583967265.db2.gz AECTUXOGWITVHV-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO COC(=O)c1cc(C=NNC(N)=[NH2+])c[nH]1 ZINC000753161226 585254602 /nfs/dbraw/zinc/25/46/02/585254602.db2.gz GGKYIQLKDSNTCZ-UHFFFAOYSA-N 1 0 209.209 -0.382 20 30 BBEDRO CNC(=O)CCC[N@H+](C)CC(=O)NCCC#N ZINC000753202945 583978063 /nfs/dbraw/zinc/97/80/63/583978063.db2.gz ACEKCJDXLWPGNE-UHFFFAOYSA-N 1 0 240.307 -0.526 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)CCCC(=O)NC ZINC000753205412 585255338 /nfs/dbraw/zinc/25/53/38/585255338.db2.gz XUAWPNQQFGHJEO-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO C#CCOCCNC(=O)[C@H]1CN(CC)CCO1 ZINC000753226168 585255488 /nfs/dbraw/zinc/25/54/88/585255488.db2.gz IYZANOOZRNZETC-LLVKDONJSA-N 1 0 240.303 -0.527 20 30 BBEDRO C#CCOCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC000753226562 585255402 /nfs/dbraw/zinc/25/54/02/585255402.db2.gz IYZANOOZRNZETC-NSHDSACASA-N 1 0 240.303 -0.527 20 30 BBEDRO C#CCOCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000753241856 585255789 /nfs/dbraw/zinc/25/57/89/585255789.db2.gz VDUGWFYIIFJQFZ-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000753241863 585255909 /nfs/dbraw/zinc/25/59/09/585255909.db2.gz VDUGWFYIIFJQFZ-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCOCCNC(=O)NCC[NH+](C)C ZINC000753376155 585257433 /nfs/dbraw/zinc/25/74/33/585257433.db2.gz DCWRIMNZVJBXAC-UHFFFAOYSA-N 1 0 213.281 -0.503 20 30 BBEDRO C#CCOCCNC(=O)NCC[NH+]1CCC1 ZINC000753378194 585257735 /nfs/dbraw/zinc/25/77/35/585257735.db2.gz FLFHUKJRZZTDEJ-UHFFFAOYSA-N 1 0 225.292 -0.359 20 30 BBEDRO C#CCOCCNC(=O)N(C)CC[NH+](C)C ZINC000753379563 585257751 /nfs/dbraw/zinc/25/77/51/585257751.db2.gz SBXYSFKERBXSQK-UHFFFAOYSA-N 1 0 227.308 -0.161 20 30 BBEDRO C#CCOCCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000753383626 585257692 /nfs/dbraw/zinc/25/76/92/585257692.db2.gz SULSEURXMNZYPZ-UHFFFAOYSA-N 1 0 239.319 -0.017 20 30 BBEDRO C#CCOCCC(=O)NCCOCC[NH+](C)C ZINC000753439065 585259039 /nfs/dbraw/zinc/25/90/39/585259039.db2.gz JKPPWNYEIJBVEN-UHFFFAOYSA-N 1 0 242.319 -0.279 20 30 BBEDRO C#CC(=O)NCCCC[NH+]1CCOCC1 ZINC000753943581 585272854 /nfs/dbraw/zinc/27/28/54/585272854.db2.gz MOCKSKHHTVLJOV-UHFFFAOYSA-N 1 0 210.277 -0.152 20 30 BBEDRO NC(=[NH2+])NN=C1c2cccc(F)c2NC1=O ZINC000753965727 585273914 /nfs/dbraw/zinc/27/39/14/585273914.db2.gz GLZXVJJCKYGMLB-UHFFFAOYSA-N 1 0 221.195 -0.035 20 30 BBEDRO C#CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000754006487 585275209 /nfs/dbraw/zinc/27/52/09/585275209.db2.gz UESSQINKCSEVNU-UHFFFAOYSA-N 1 0 249.314 -0.614 20 30 BBEDRO C#CC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000754018818 585275342 /nfs/dbraw/zinc/27/53/42/585275342.db2.gz YGRDLCJERTWDPN-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000754018819 585275446 /nfs/dbraw/zinc/27/54/46/585275446.db2.gz YGRDLCJERTWDPN-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000754035129 585276073 /nfs/dbraw/zinc/27/60/73/585276073.db2.gz ICXBVMKBICSYPU-GFCCVEGCSA-N 1 0 235.331 -0.142 20 30 BBEDRO C#CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000754035186 585276049 /nfs/dbraw/zinc/27/60/49/585276049.db2.gz ICXBVMKBICSYPU-LBPRGKRZSA-N 1 0 235.331 -0.142 20 30 BBEDRO C#CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000754061574 585276044 /nfs/dbraw/zinc/27/60/44/585276044.db2.gz XCMOFKOAIMUBRU-UHFFFAOYSA-N 1 0 222.288 -0.057 20 30 BBEDRO C#CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000754068839 585277441 /nfs/dbraw/zinc/27/74/41/585277441.db2.gz QDWRLBPMDJBKLN-LLVKDONJSA-N 1 0 222.288 -0.200 20 30 BBEDRO C#CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000754068842 585277288 /nfs/dbraw/zinc/27/72/88/585277288.db2.gz QDWRLBPMDJBKLN-NSHDSACASA-N 1 0 222.288 -0.200 20 30 BBEDRO C#CCC[NH+]1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000754075584 585277266 /nfs/dbraw/zinc/27/72/66/585277266.db2.gz PFYBJFZMJNAZCN-UHFFFAOYSA-N 1 0 249.318 -0.751 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](CC(=O)OC)C1CC1 ZINC000754524354 585285476 /nfs/dbraw/zinc/28/54/76/585285476.db2.gz WNSIZSWVAKPZBP-JTQLQIEISA-N 1 0 238.287 -0.333 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](CC(=O)OC)C1CC1 ZINC000754524356 585285364 /nfs/dbraw/zinc/28/53/64/585285364.db2.gz WNSIZSWVAKPZBP-SNVBAGLBSA-N 1 0 238.287 -0.333 20 30 BBEDRO COC(=O)C[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC000754525333 585285437 /nfs/dbraw/zinc/28/54/37/585285437.db2.gz ZZYLXONEUGWPQA-SECBINFHSA-N 1 0 239.275 -0.443 20 30 BBEDRO COC(=O)C[C@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC000754525337 585285615 /nfs/dbraw/zinc/28/56/15/585285615.db2.gz ZZYLXONEUGWPQA-VIFPVBQESA-N 1 0 239.275 -0.443 20 30 BBEDRO C#CCNC(=O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000754871145 585291956 /nfs/dbraw/zinc/29/19/56/585291956.db2.gz YXNNRUWHZHZJOL-UHFFFAOYSA-N 1 0 234.303 -0.006 20 30 BBEDRO C#CCNC(=O)CN1CCc2cc[nH]c(=O)c2C1 ZINC000755194964 585295939 /nfs/dbraw/zinc/29/59/39/585295939.db2.gz KVOPNUAKWAALAR-UHFFFAOYSA-N 1 0 245.282 -0.105 20 30 BBEDRO NC(=[NH2+])NN=Cc1cnc2ncccn12 ZINC000755633763 585302884 /nfs/dbraw/zinc/30/28/84/585302884.db2.gz NHDVQQHASXHITD-UHFFFAOYSA-N 1 0 203.209 -0.454 20 30 BBEDRO NC(=[NH2+])NN=Cc1cnn2cccnc12 ZINC000755634811 585302935 /nfs/dbraw/zinc/30/29/35/585302935.db2.gz YNUWSOVYHGGKRI-UHFFFAOYSA-N 1 0 203.209 -0.454 20 30 BBEDRO NC(=[NH2+])NN=Cc1cc(C(N)=O)cs1 ZINC000755875507 585309114 /nfs/dbraw/zinc/30/91/14/585309114.db2.gz VWTUERGOCLYJKN-UHFFFAOYSA-N 1 0 211.250 -0.336 20 30 BBEDRO C#CCOCCC(=O)NCC[NH+]1CCC1 ZINC000756020082 585313268 /nfs/dbraw/zinc/31/32/68/585313268.db2.gz DDDTUVLVQLRSHW-UHFFFAOYSA-N 1 0 210.277 -0.152 20 30 BBEDRO C#CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000756069229 585313937 /nfs/dbraw/zinc/31/39/37/585313937.db2.gz WYPQELWJQOZERL-UHFFFAOYSA-N 1 0 233.271 -0.018 20 30 BBEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccc(C(N)=O)nn1 ZINC000756843199 585324030 /nfs/dbraw/zinc/32/40/30/585324030.db2.gz DQXOJTRGCOTHSE-SSDOTTSWSA-N 1 0 248.290 -0.075 20 30 BBEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccc(C(N)=O)nn1 ZINC000756843200 585324100 /nfs/dbraw/zinc/32/41/00/585324100.db2.gz DQXOJTRGCOTHSE-ZETCQYMHSA-N 1 0 248.290 -0.075 20 30 BBEDRO COCC#CCN1CCNC(=O)C1(C)C ZINC000757653070 585343791 /nfs/dbraw/zinc/34/37/91/585343791.db2.gz CCJUXHGXKKKEJZ-UHFFFAOYSA-N 1 0 210.277 -0.153 20 30 BBEDRO COC(=O)c1coc(C=NNC(N)=[NH2+])c1 ZINC000758104340 585349176 /nfs/dbraw/zinc/34/91/76/585349176.db2.gz MNZPYVFCNNMMQH-UHFFFAOYSA-N 1 0 210.193 -0.117 20 30 BBEDRO C#CCNC(=S)NN1CCN(C)CC1 ZINC000758172888 585350923 /nfs/dbraw/zinc/35/09/23/585350923.db2.gz PYDDGLZHLXZDAC-UHFFFAOYSA-N 1 0 212.322 -0.754 20 30 BBEDRO C#CCNC(=S)NCCN1CC[NH+](C)CC1 ZINC000758190072 644634986 /nfs/dbraw/zinc/63/49/86/644634986.db2.gz FLPQDFKMRUBZPH-UHFFFAOYSA-N 1 0 240.376 -0.669 20 30 BBEDRO C#CCNC(=S)NCC[N@@H+](C)CCOC ZINC000758216318 644636353 /nfs/dbraw/zinc/63/63/53/644636353.db2.gz MVVQOJKNABVSCO-UHFFFAOYSA-N 1 0 229.349 -0.338 20 30 BBEDRO CC(C)[N@H+]1CC(N=NCC(N)=O)[C@H](C)C1 ZINC000758893912 585361425 /nfs/dbraw/zinc/36/14/25/585361425.db2.gz ZBVMQYNNLKUQJX-MRVPVSSYSA-N 1 0 212.297 -0.223 20 30 BBEDRO CC(C)[N@H+]1CC(N=NCC(N)=O)[C@@H](C)C1 ZINC000758893914 585361438 /nfs/dbraw/zinc/36/14/38/585361438.db2.gz ZBVMQYNNLKUQJX-QMMMGPOBSA-N 1 0 212.297 -0.223 20 30 BBEDRO CC[N@@H+]1CCC(N=NCC(N)=O)[C@H](C)C1 ZINC000758897910 585361533 /nfs/dbraw/zinc/36/15/33/585361533.db2.gz FXSZKYNWVQVBJU-MRVPVSSYSA-N 1 0 212.297 -0.221 20 30 BBEDRO CC[N@@H+]1CCC(=NNCC(N)=O)[C@@H](C)C1 ZINC000758897912 585361586 /nfs/dbraw/zinc/36/15/86/585361586.db2.gz FXSZKYNWVQVBJU-QMMMGPOBSA-N 1 0 212.297 -0.221 20 30 BBEDRO NC(=O)CNN=Cc1cnc(N2CCCC2)nc1 ZINC000758904197 585362149 /nfs/dbraw/zinc/36/21/49/585362149.db2.gz OIQPEPQPBUROLO-UHFFFAOYSA-N 1 0 248.290 -0.514 20 30 BBEDRO C#CCNC(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000759491618 585373962 /nfs/dbraw/zinc/37/39/62/585373962.db2.gz RPVIZOHPCDUTLP-JGPRNRPPSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#CCNC(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000759491620 585373999 /nfs/dbraw/zinc/37/39/99/585373999.db2.gz RPVIZOHPCDUTLP-NXEZZACHSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#CCNC(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000759491621 585373910 /nfs/dbraw/zinc/37/39/10/585373910.db2.gz RPVIZOHPCDUTLP-UWVGGRQHSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000759787097 585380274 /nfs/dbraw/zinc/38/02/74/585380274.db2.gz OTNHLVSJKFCSSC-GFCCVEGCSA-N 1 0 238.287 -0.379 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000759787100 585380231 /nfs/dbraw/zinc/38/02/31/585380231.db2.gz OTNHLVSJKFCSSC-LBPRGKRZSA-N 1 0 238.287 -0.379 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)CC1(O)CCC1 ZINC000759876461 585381921 /nfs/dbraw/zinc/38/19/21/585381921.db2.gz LDOOWVSUVRCEDI-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C[N@H+](CC(=O)NCCC#N)CC1(O)CCC1 ZINC000759876808 585382111 /nfs/dbraw/zinc/38/21/11/585382111.db2.gz NPONXICVBJMUFH-UHFFFAOYSA-N 1 0 225.292 -0.137 20 30 BBEDRO C#CCCCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000760509258 585393319 /nfs/dbraw/zinc/39/33/19/585393319.db2.gz DFZMSVDWZKJHHJ-GFCCVEGCSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCCCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000760509260 585393466 /nfs/dbraw/zinc/39/34/66/585393466.db2.gz DFZMSVDWZKJHHJ-LBPRGKRZSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000760833606 585398630 /nfs/dbraw/zinc/39/86/30/585398630.db2.gz JCIPSNYYJLQGFX-JTQLQIEISA-N 1 0 245.348 -0.485 20 30 BBEDRO C#CCC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000760833617 585398744 /nfs/dbraw/zinc/39/87/44/585398744.db2.gz JCIPSNYYJLQGFX-SNVBAGLBSA-N 1 0 245.348 -0.485 20 30 BBEDRO C#CCC[N@@H+](CCO)CCN1CCOCC1 ZINC000760843842 585399502 /nfs/dbraw/zinc/39/95/02/585399502.db2.gz QRMCZZZNNPYCCA-UHFFFAOYSA-N 1 0 226.320 -0.364 20 30 BBEDRO C#CCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000760844731 585399780 /nfs/dbraw/zinc/39/97/80/585399780.db2.gz SDNSRLBJCWRLAT-GFCCVEGCSA-N 1 0 226.320 -0.365 20 30 BBEDRO C#CCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000760844732 585399783 /nfs/dbraw/zinc/39/97/83/585399783.db2.gz SDNSRLBJCWRLAT-LBPRGKRZSA-N 1 0 226.320 -0.365 20 30 BBEDRO C#CCC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000760845278 585399547 /nfs/dbraw/zinc/39/95/47/585399547.db2.gz ZRJBOVROINMCFD-UHFFFAOYSA-N 1 0 230.333 -0.023 20 30 BBEDRO C#CCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000760856699 585400182 /nfs/dbraw/zinc/40/01/82/585400182.db2.gz LOBHBPZMPLPYIA-SECBINFHSA-N 1 0 216.306 -0.237 20 30 BBEDRO C#CCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000760856706 585399920 /nfs/dbraw/zinc/39/99/20/585399920.db2.gz LOBHBPZMPLPYIA-VIFPVBQESA-N 1 0 216.306 -0.237 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1CC[N@H+](C)[C@H](C)C1 ZINC000761082095 585407292 /nfs/dbraw/zinc/40/72/92/585407292.db2.gz YRHHCTIULZWFMI-GHMZBOCLSA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1CC[N@H+](C)[C@H](C)C1 ZINC000761082098 585407197 /nfs/dbraw/zinc/40/71/97/585407197.db2.gz YRHHCTIULZWFMI-MNOVXSKESA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761082100 585407228 /nfs/dbraw/zinc/40/72/28/585407228.db2.gz YRHHCTIULZWFMI-QWRGUYRKSA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761082102 585407069 /nfs/dbraw/zinc/40/70/69/585407069.db2.gz YRHHCTIULZWFMI-WDEREUQCSA-N 1 0 223.320 -0.240 20 30 BBEDRO C=CCNC(=O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000761084182 585406983 /nfs/dbraw/zinc/40/69/83/585406983.db2.gz YFZYTHIPECVPQI-JTQLQIEISA-N 1 0 211.309 -0.076 20 30 BBEDRO C=CCNC(=O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000761084184 585407099 /nfs/dbraw/zinc/40/70/99/585407099.db2.gz YFZYTHIPECVPQI-SNVBAGLBSA-N 1 0 211.309 -0.076 20 30 BBEDRO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC000761092582 584909684 /nfs/dbraw/zinc/90/96/84/584909684.db2.gz MPJKEIDOOGKJJB-OLZOCXBDSA-N 1 0 247.342 -0.142 20 30 BBEDRO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H]3C[C@H]32)CC1 ZINC000761092598 584909643 /nfs/dbraw/zinc/90/96/43/584909643.db2.gz MPJKEIDOOGKJJB-QWHCGFSZSA-N 1 0 247.342 -0.142 20 30 BBEDRO C#CCOCC[N@H+](C)CCOCCO ZINC000761107754 585409694 /nfs/dbraw/zinc/40/96/94/585409694.db2.gz HGCDMGZATAFRHH-UHFFFAOYSA-N 1 0 201.266 -0.423 20 30 BBEDRO C#CC[N@@H+](CCO)CCOCCOC ZINC000761109438 585409873 /nfs/dbraw/zinc/40/98/73/585409873.db2.gz HRAQTJAWALZNKL-UHFFFAOYSA-N 1 0 201.266 -0.423 20 30 BBEDRO C#CCOCC[N@@H+](C)CCN1CCOCC1 ZINC000761113254 585410159 /nfs/dbraw/zinc/41/01/59/585410159.db2.gz FDTNUVJLADNJIF-UHFFFAOYSA-N 1 0 226.320 -0.100 20 30 BBEDRO C#CCOCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000761115355 584910228 /nfs/dbraw/zinc/91/02/28/584910228.db2.gz RRGSKOPAOKXDGC-JTQLQIEISA-N 1 0 210.277 -0.201 20 30 BBEDRO C#CCOCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000761115359 584910331 /nfs/dbraw/zinc/91/03/31/584910331.db2.gz RRGSKOPAOKXDGC-SNVBAGLBSA-N 1 0 210.277 -0.201 20 30 BBEDRO CN(C)c1ccc2c(c1)NC(=O)C2=NNC(N)=[NH2+] ZINC000761781862 644649613 /nfs/dbraw/zinc/64/96/13/644649613.db2.gz MLHPTZYHSVMZCD-UHFFFAOYSA-N 1 0 246.274 -0.108 20 30 BBEDRO CC(Cn1ccccc1=O)N=NC(N)=[NH2+] ZINC000761782683 585418675 /nfs/dbraw/zinc/41/86/75/585418675.db2.gz XXHSMPQHANSRLF-UHFFFAOYSA-N 1 0 207.237 -0.293 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=C2CCN(C)C2=O)N1 ZINC000761834491 585419724 /nfs/dbraw/zinc/41/97/24/585419724.db2.gz QITWIROTIDBQIH-LURJTMIESA-N 1 0 209.253 -0.858 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=C2CCN(C)C2=O)N1 ZINC000761834493 585419626 /nfs/dbraw/zinc/41/96/26/585419626.db2.gz QITWIROTIDBQIH-ZCFIWIBFSA-N 1 0 209.253 -0.858 20 30 BBEDRO C#CCOCCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762715417 585436107 /nfs/dbraw/zinc/43/61/07/585436107.db2.gz GSCZLBXWAZAPIC-GFCCVEGCSA-N 1 0 240.303 -0.791 20 30 BBEDRO C#CCOCCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762715418 585436049 /nfs/dbraw/zinc/43/60/49/585436049.db2.gz GSCZLBXWAZAPIC-LBPRGKRZSA-N 1 0 240.303 -0.791 20 30 BBEDRO C#CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000763068032 585442866 /nfs/dbraw/zinc/44/28/66/585442866.db2.gz CKAVDQDZKPNGNS-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000763068034 585442875 /nfs/dbraw/zinc/44/28/75/585442875.db2.gz CKAVDQDZKPNGNS-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000763113519 585443406 /nfs/dbraw/zinc/44/34/06/585443406.db2.gz QCSSZGWIADAKTK-GFCCVEGCSA-N 1 0 239.319 -0.234 20 30 BBEDRO C#CCCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000763113521 585443176 /nfs/dbraw/zinc/44/31/76/585443176.db2.gz QCSSZGWIADAKTK-LBPRGKRZSA-N 1 0 239.319 -0.234 20 30 BBEDRO C[N@@H+]1CCCN(CC(=O)NCCC#N)CC1 ZINC000763407511 585447957 /nfs/dbraw/zinc/44/79/57/585447957.db2.gz MBFSZUBQTYZJSB-UHFFFAOYSA-N 1 0 224.308 -0.346 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C)CC1 ZINC000763875348 585455978 /nfs/dbraw/zinc/45/59/78/585455978.db2.gz NPBWSCOTVCGCIG-UHFFFAOYSA-N 1 0 211.309 -0.122 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C(C)=O)CC1 ZINC000763900459 585456674 /nfs/dbraw/zinc/45/66/74/585456674.db2.gz HLRUTECSFIVHJO-UHFFFAOYSA-N 1 0 239.319 -0.205 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCN1CCOCC1 ZINC000763904931 585456738 /nfs/dbraw/zinc/45/67/38/585456738.db2.gz VYVVCODAKTXGAG-UHFFFAOYSA-N 1 0 241.335 -0.447 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(CC(N)=O)C(C)C ZINC000763928452 585457053 /nfs/dbraw/zinc/45/70/53/585457053.db2.gz CUZNBFVRIBEELF-UHFFFAOYSA-N 1 0 227.308 -0.174 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCNC(C)=O ZINC000763931166 585457286 /nfs/dbraw/zinc/45/72/86/585457286.db2.gz PBNHSOISSQYPDJ-UHFFFAOYSA-N 1 0 213.281 -0.644 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000763934447 585457487 /nfs/dbraw/zinc/45/74/87/585457487.db2.gz ZXABDUPAVBBGLL-JTQLQIEISA-N 1 0 239.319 -0.172 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000763934450 585457443 /nfs/dbraw/zinc/45/74/43/585457443.db2.gz ZXABDUPAVBBGLL-SNVBAGLBSA-N 1 0 239.319 -0.172 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)NC(C)C ZINC000763952919 585457714 /nfs/dbraw/zinc/45/77/14/585457714.db2.gz QLLLKFJYODRJAP-UHFFFAOYSA-N 1 0 227.308 -0.255 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)CC(=O)NC1CC1 ZINC000764000095 585458395 /nfs/dbraw/zinc/45/83/95/585458395.db2.gz YMDDJZZEWWZZPF-UHFFFAOYSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)OC ZINC000764114350 585460153 /nfs/dbraw/zinc/46/01/53/585460153.db2.gz FUJDVKKXOIURQP-UHFFFAOYSA-N 1 0 200.238 -0.607 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C(=O)OC ZINC000764121684 585460404 /nfs/dbraw/zinc/46/04/04/585460404.db2.gz QVZGLCUTNAMNEW-QMMMGPOBSA-N 1 0 214.265 -0.218 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCC(=O)OC ZINC000764123686 585460433 /nfs/dbraw/zinc/46/04/33/585460433.db2.gz CFYGGXHGMACPSQ-UHFFFAOYSA-N 1 0 214.265 -0.217 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)CC(=O)OC ZINC000764129191 585460710 /nfs/dbraw/zinc/46/07/10/585460710.db2.gz MHZPRYQRUSWENL-UHFFFAOYSA-N 1 0 214.265 -0.264 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCCNC(C)=O ZINC000764150290 585460922 /nfs/dbraw/zinc/46/09/22/585460922.db2.gz JKVPPKJYQYMRAW-UHFFFAOYSA-N 1 0 227.308 -0.253 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(CCO)CC1 ZINC000764193238 585461211 /nfs/dbraw/zinc/46/12/11/585461211.db2.gz GKXFPSLEZCCPFA-UHFFFAOYSA-N 1 0 241.335 -0.759 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)CO ZINC000764193344 585461318 /nfs/dbraw/zinc/46/13/18/585461318.db2.gz HDVNXKFJIRZUQV-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)CO ZINC000764193346 585461276 /nfs/dbraw/zinc/46/12/76/585461276.db2.gz HDVNXKFJIRZUQV-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(CC)CCO ZINC000764200328 585461274 /nfs/dbraw/zinc/46/12/74/585461274.db2.gz YWWJHDOBHSFVPH-UHFFFAOYSA-N 1 0 200.282 -0.055 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1C(N)=O ZINC000764214311 585461572 /nfs/dbraw/zinc/46/15/72/585461572.db2.gz YOQWCDZKXCJCIJ-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1C(N)=O ZINC000764214313 585461535 /nfs/dbraw/zinc/46/15/35/585461535.db2.gz YOQWCDZKXCJCIJ-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCC(=O)N(C)C ZINC000764338422 585463573 /nfs/dbraw/zinc/46/35/73/585463573.db2.gz ROJSCGVGDYYIIL-UHFFFAOYSA-N 1 0 227.308 -0.301 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC(C)(C)C(N)=O ZINC000764341477 585463715 /nfs/dbraw/zinc/46/37/15/585463715.db2.gz KGMYQYUKZYUEMG-UHFFFAOYSA-N 1 0 227.308 -0.268 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)OCC ZINC000764381430 585464104 /nfs/dbraw/zinc/46/41/04/585464104.db2.gz BDKHCWLSTBBRMG-UHFFFAOYSA-N 1 0 214.265 -0.217 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCNC(=O)C1CC1 ZINC000764440486 585465583 /nfs/dbraw/zinc/46/55/83/585465583.db2.gz GIIKUBGSHIOMLR-UHFFFAOYSA-N 1 0 239.319 -0.253 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCNC(=O)[C@H]1C ZINC000764472890 585466109 /nfs/dbraw/zinc/46/61/09/585466109.db2.gz VNFIFSRYEPNSJP-SECBINFHSA-N 1 0 225.292 -0.549 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCNC(=O)[C@@H]1C ZINC000764472892 585466302 /nfs/dbraw/zinc/46/63/02/585466302.db2.gz VNFIFSRYEPNSJP-VIFPVBQESA-N 1 0 225.292 -0.549 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)CCC(=O)NC ZINC000764478701 585466210 /nfs/dbraw/zinc/46/62/10/585466210.db2.gz JGVYGGNABNAYOL-UHFFFAOYSA-N 1 0 227.308 -0.301 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCNC(=O)C1(C)C ZINC000764496064 585466713 /nfs/dbraw/zinc/46/67/13/585466713.db2.gz XITCQLBZPWMQJD-UHFFFAOYSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCS(=O)CC1 ZINC000764498409 585466787 /nfs/dbraw/zinc/46/67/87/585466787.db2.gz HKMKNQIMAYXOQJ-UHFFFAOYSA-N 1 0 230.333 -0.305 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C(N)=O)C(C)C ZINC000764502711 585467117 /nfs/dbraw/zinc/46/71/17/585467117.db2.gz LACRYJOBESYBFB-SECBINFHSA-N 1 0 227.308 -0.270 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C(N)=O)C(C)C ZINC000764502715 585466909 /nfs/dbraw/zinc/46/69/09/585466909.db2.gz LACRYJOBESYBFB-VIFPVBQESA-N 1 0 227.308 -0.270 20 30 BBEDRO CC#CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000764506536 585467138 /nfs/dbraw/zinc/46/71/38/585467138.db2.gz IXVNATPJXWFWRO-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO CC#CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000764506537 585466990 /nfs/dbraw/zinc/46/69/90/585466990.db2.gz IXVNATPJXWFWRO-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C(=O)NC ZINC000764506979 585466941 /nfs/dbraw/zinc/46/69/41/585466941.db2.gz MIUPLRKFCUZDDV-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C(=O)NC ZINC000764506984 585467143 /nfs/dbraw/zinc/46/71/43/585467143.db2.gz MIUPLRKFCUZDDV-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CC(=O)NCCNC(=O)C(=C)C[NH+](C)C ZINC000764508802 585467104 /nfs/dbraw/zinc/46/71/04/585467104.db2.gz USLZLACHIPWJDF-UHFFFAOYSA-N 1 0 225.292 -0.477 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](C#N)C1 ZINC000764508965 585467096 /nfs/dbraw/zinc/46/70/96/585467096.db2.gz OSZOHSLCGNACBM-JTQLQIEISA-N 1 0 223.276 -0.145 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](C#N)C1 ZINC000764508966 585466998 /nfs/dbraw/zinc/46/69/98/585466998.db2.gz OSZOHSLCGNACBM-SNVBAGLBSA-N 1 0 223.276 -0.145 20 30 BBEDRO CC#CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000764509863 585467074 /nfs/dbraw/zinc/46/70/74/585467074.db2.gz TZZWGYNEOSQONH-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO CC#CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000764509867 585466925 /nfs/dbraw/zinc/46/69/25/585466925.db2.gz TZZWGYNEOSQONH-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCNC(=O)C(C)C ZINC000764510488 585466272 /nfs/dbraw/zinc/46/62/72/585466272.db2.gz VYPOVSFVOQIJPA-UHFFFAOYSA-N 1 0 241.335 -0.007 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC[C@@H](C)O ZINC000764539471 585467749 /nfs/dbraw/zinc/46/77/49/585467749.db2.gz OSWQLIUKGMBMDO-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC[C@H](C)O ZINC000764539473 585467639 /nfs/dbraw/zinc/46/76/39/585467639.db2.gz OSWQLIUKGMBMDO-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(CC#N)CC1 ZINC000764543191 585467483 /nfs/dbraw/zinc/46/74/83/585467483.db2.gz YHQDBYZQWWKECU-UHFFFAOYSA-N 1 0 236.319 -0.228 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC(C)(C)O ZINC000764572319 585468114 /nfs/dbraw/zinc/46/81/14/585468114.db2.gz CVDAGONEITZDOF-UHFFFAOYSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@@H](C)O ZINC000764606526 585468730 /nfs/dbraw/zinc/46/87/30/585468730.db2.gz QZCSBEXSBKEEHF-SECBINFHSA-N 1 0 200.282 -0.057 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@H](C)O ZINC000764606527 585468958 /nfs/dbraw/zinc/46/89/58/585468958.db2.gz QZCSBEXSBKEEHF-VIFPVBQESA-N 1 0 200.282 -0.057 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC(C)(C)CO ZINC000764625702 585469417 /nfs/dbraw/zinc/46/94/17/585469417.db2.gz XCIXKPNSODPCQE-UHFFFAOYSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](C)CO ZINC000764628696 585469388 /nfs/dbraw/zinc/46/93/88/585469388.db2.gz WUVDYGSGYAJYIM-SECBINFHSA-N 1 0 200.282 -0.057 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)C(=O)OC ZINC000764630922 585469564 /nfs/dbraw/zinc/46/95/64/585469564.db2.gz QVZGLCUTNAMNEW-MRVPVSSYSA-N 1 0 214.265 -0.218 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCNC(=O)N(C)C ZINC000764652188 585470176 /nfs/dbraw/zinc/47/01/76/585470176.db2.gz ZOUHEZRISHVQRD-UHFFFAOYSA-N 1 0 242.323 -0.508 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC(C)(C)CC(N)=O ZINC000764660968 585470348 /nfs/dbraw/zinc/47/03/48/585470348.db2.gz UWOMKGAVKPOMHH-UHFFFAOYSA-N 1 0 227.308 -0.126 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)N1CC(C)(O)C1 ZINC000765448587 585486675 /nfs/dbraw/zinc/48/66/75/585486675.db2.gz USFKSMZQVNZSLU-JTQLQIEISA-N 1 0 222.288 -0.323 20 30 BBEDRO C[N@@H+]1CCCC(N=NC2=NC(=O)C(=O)N2)CC1 ZINC000765594019 585490979 /nfs/dbraw/zinc/49/09/79/585490979.db2.gz MZQBULFKASOUBV-UHFFFAOYSA-N 1 0 237.263 -0.940 20 30 BBEDRO C[C@H]1CC(N=NC2=NC(=O)C(=O)N2)CC[N@@H+]1C ZINC000765594785 585490986 /nfs/dbraw/zinc/49/09/86/585490986.db2.gz WJGKCAXREXKEGQ-LURJTMIESA-N 1 0 237.263 -0.942 20 30 BBEDRO C[C@@H]1CC(N=NC2=NC(=O)C(=O)N2)CC[N@@H+]1C ZINC000765594786 585490822 /nfs/dbraw/zinc/49/08/22/585490822.db2.gz WJGKCAXREXKEGQ-ZCFIWIBFSA-N 1 0 237.263 -0.942 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](C)CC1(C)C ZINC000766998869 585512454 /nfs/dbraw/zinc/51/24/54/585512454.db2.gz ISSDWHFNCBUCNI-UHFFFAOYSA-N 1 0 223.320 -0.238 20 30 BBEDRO CC(CC[NH+](C)C)=NNC(=S)NCC(N)=O ZINC000767377960 585518772 /nfs/dbraw/zinc/51/87/72/585518772.db2.gz KTXJXLVTPFKNQA-UHFFFAOYSA-N 1 0 245.352 -0.737 20 30 BBEDRO CC(CC[NH+](C)C)=NNCCS(C)(=O)=O ZINC000767381609 585518867 /nfs/dbraw/zinc/51/88/67/585518867.db2.gz ZZNMDMMRAHDSEG-UHFFFAOYSA-N 1 0 235.353 -0.052 20 30 BBEDRO C#CCCC[NH+]1CCN(C(=O)CO)CC1 ZINC000767524604 585522183 /nfs/dbraw/zinc/52/21/83/585522183.db2.gz PMOFKFDONLZHBW-UHFFFAOYSA-N 1 0 210.277 -0.464 20 30 BBEDRO C#CCNC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000768769188 585543104 /nfs/dbraw/zinc/54/31/04/585543104.db2.gz GJAHJRVPWQJDDD-GHMZBOCLSA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000768769255 585543376 /nfs/dbraw/zinc/54/33/76/585543376.db2.gz GJAHJRVPWQJDDD-MNOVXSKESA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000768769261 585543338 /nfs/dbraw/zinc/54/33/38/585543338.db2.gz GJAHJRVPWQJDDD-QWRGUYRKSA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000768769267 585543089 /nfs/dbraw/zinc/54/30/89/585543089.db2.gz GJAHJRVPWQJDDD-WDEREUQCSA-N 1 0 223.320 -0.240 20 30 BBEDRO C=CCNC(=S)NCC[N@H+](CC)CCO ZINC000768786039 585543549 /nfs/dbraw/zinc/54/35/49/585543549.db2.gz QKZLSXZDCVNUKE-UHFFFAOYSA-N 1 0 231.365 -0.049 20 30 BBEDRO C#CCNC(=S)NCC[N@H+](CC)CCO ZINC000768790186 585543654 /nfs/dbraw/zinc/54/36/54/585543654.db2.gz XEEFXUUKOZRERJ-UHFFFAOYSA-N 1 0 229.349 -0.602 20 30 BBEDRO COC(=O)CC(C)(C)[NH2+]CC(=O)NCCC#N ZINC000770193675 585571387 /nfs/dbraw/zinc/57/13/87/585571387.db2.gz WCXMMRNFTVXQSG-UHFFFAOYSA-N 1 0 241.291 -0.052 20 30 BBEDRO C#CCNC(=O)CN(C)CC[N@H+](C)C1CC1 ZINC000770685973 585579667 /nfs/dbraw/zinc/57/96/67/585579667.db2.gz SBNUVDQKRBZOSU-UHFFFAOYSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](CO)C1CC1 ZINC000771039487 585588189 /nfs/dbraw/zinc/58/81/89/585588189.db2.gz BODSRZYCCMVGAJ-NEPJUHHUSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H](CO)C1CC1 ZINC000771039490 585588291 /nfs/dbraw/zinc/58/82/91/585588291.db2.gz BODSRZYCCMVGAJ-RYUDHWBXSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000771458781 585594691 /nfs/dbraw/zinc/59/46/91/585594691.db2.gz HCOFXVBLOWGGDV-GHMZBOCLSA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000771458783 585594581 /nfs/dbraw/zinc/59/45/81/585594581.db2.gz HCOFXVBLOWGGDV-MNOVXSKESA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000771458785 585594494 /nfs/dbraw/zinc/59/44/94/585594494.db2.gz HCOFXVBLOWGGDV-QWRGUYRKSA-N 1 0 223.320 -0.240 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000771458788 585594682 /nfs/dbraw/zinc/59/46/82/585594682.db2.gz HCOFXVBLOWGGDV-WDEREUQCSA-N 1 0 223.320 -0.240 20 30 BBEDRO C[C@@H]1C[N@@H+](C2CC2)CC1=NOCC(N)=O ZINC000771577292 585597070 /nfs/dbraw/zinc/59/70/70/585597070.db2.gz CWQMBRNVWWOKBM-SSDOTTSWSA-N 1 0 211.265 -0.042 20 30 BBEDRO C[C@H]1C[N@@H+](C2CC2)CC1=NOCC(N)=O ZINC000771577293 585597097 /nfs/dbraw/zinc/59/70/97/585597097.db2.gz CWQMBRNVWWOKBM-ZETCQYMHSA-N 1 0 211.265 -0.042 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)C1CC1 ZINC000771802225 585600439 /nfs/dbraw/zinc/60/04/39/585600439.db2.gz LKGUJQJWSRQADG-SECBINFHSA-N 1 0 241.291 -0.641 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CO)C1CC1 ZINC000771802323 585600392 /nfs/dbraw/zinc/60/03/92/585600392.db2.gz LKGUJQJWSRQADG-VIFPVBQESA-N 1 0 241.291 -0.641 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(N)=O)CC1 ZINC000772116075 585608625 /nfs/dbraw/zinc/60/86/25/585608625.db2.gz NIYOCYMBJLCCNX-SECBINFHSA-N 1 0 238.287 -0.251 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(N)=O)CC1 ZINC000772116077 585608588 /nfs/dbraw/zinc/60/85/88/585608588.db2.gz NIYOCYMBJLCCNX-VIFPVBQESA-N 1 0 238.287 -0.251 20 30 BBEDRO C#CCCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000772223624 585610068 /nfs/dbraw/zinc/61/00/68/585610068.db2.gz SHCKTXBBJBXWKQ-SECBINFHSA-N 1 0 216.306 -0.237 20 30 BBEDRO C#CCCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000772223625 585609955 /nfs/dbraw/zinc/60/99/55/585609955.db2.gz SHCKTXBBJBXWKQ-VIFPVBQESA-N 1 0 216.306 -0.237 20 30 BBEDRO CCOCCN(C)CC(=O)NCCC#N ZINC000772375449 585613701 /nfs/dbraw/zinc/61/37/01/585613701.db2.gz WJEAOIUWZPWIIV-UHFFFAOYSA-N 1 0 213.281 -0.015 20 30 BBEDRO CON=CC(=O)NCCN1CCOCC1 ZINC000773701936 585642725 /nfs/dbraw/zinc/64/27/25/585642725.db2.gz QYGCTLDBTFDNAG-UHFFFAOYSA-N 1 0 215.253 -0.933 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)CC(=O)N(C)C ZINC000773725759 585643023 /nfs/dbraw/zinc/64/30/23/585643023.db2.gz BYVXWPYVCATANA-UHFFFAOYSA-N 1 0 227.308 -0.349 20 30 BBEDRO CON=CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000773727858 585642928 /nfs/dbraw/zinc/64/29/28/585642928.db2.gz PILGGKOFJFTYIQ-UHFFFAOYSA-N 1 0 242.323 -0.628 20 30 BBEDRO COCC[N@H+](C)CCCNC(=O)C=NOC ZINC000773805218 585644253 /nfs/dbraw/zinc/64/42/53/585644253.db2.gz HRLSAUUFPQMWCN-UHFFFAOYSA-N 1 0 231.296 -0.297 20 30 BBEDRO CON=CC(=O)NCCCC[NH+]1CCOCC1 ZINC000773817432 585644499 /nfs/dbraw/zinc/64/44/99/585644499.db2.gz XJOSVONFAMVLNR-UHFFFAOYSA-N 1 0 243.307 -0.153 20 30 BBEDRO COCC[NH+]1CCC(NC(=O)C=NOC)CC1 ZINC000773881603 585645593 /nfs/dbraw/zinc/64/55/93/585645593.db2.gz XFQYDVFWMITTMR-UHFFFAOYSA-N 1 0 243.307 -0.154 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCc1nnc(C)[nH]1 ZINC000773930097 585646407 /nfs/dbraw/zinc/64/64/07/585646407.db2.gz LLDIMUWEPZKDFR-UHFFFAOYSA-N 1 0 237.307 -0.110 20 30 BBEDRO CON=CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000773930741 585646556 /nfs/dbraw/zinc/64/65/56/585646556.db2.gz NYODWEOAWQGNED-JTQLQIEISA-N 1 0 242.323 -0.629 20 30 BBEDRO CON=CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000773930743 585646505 /nfs/dbraw/zinc/64/65/05/585646505.db2.gz NYODWEOAWQGNED-SNVBAGLBSA-N 1 0 242.323 -0.629 20 30 BBEDRO COCCN(CC[NH+](C)C)C(=O)C=NOC ZINC000773931643 585646422 /nfs/dbraw/zinc/64/64/22/585646422.db2.gz JXHNERPCQPEOFM-UHFFFAOYSA-N 1 0 231.296 -0.345 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@]1(CCOC)CCOC1 ZINC000773952553 585646909 /nfs/dbraw/zinc/64/69/09/585646909.db2.gz AAZDPRIWKINXON-GFCCVEGCSA-N 1 0 240.303 -0.479 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@]1(CCOC)CCOC1 ZINC000773952556 585646881 /nfs/dbraw/zinc/64/68/81/585646881.db2.gz AAZDPRIWKINXON-LBPRGKRZSA-N 1 0 240.303 -0.479 20 30 BBEDRO CON=CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000773955223 585647042 /nfs/dbraw/zinc/64/70/42/585647042.db2.gz DJEVAWRFIGTITP-UHFFFAOYSA-N 1 0 243.307 -0.154 20 30 BBEDRO CON=CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000773960316 585647002 /nfs/dbraw/zinc/64/70/02/585647002.db2.gz RTMCMJZXVLDIRO-JTQLQIEISA-N 1 0 242.323 -0.629 20 30 BBEDRO CON=CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000773960317 585647032 /nfs/dbraw/zinc/64/70/32/585647032.db2.gz RTMCMJZXVLDIRO-SNVBAGLBSA-N 1 0 242.323 -0.629 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000773996373 585647865 /nfs/dbraw/zinc/64/78/65/585647865.db2.gz WKFJTKWIOPCCKV-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000773996374 585647884 /nfs/dbraw/zinc/64/78/84/585647884.db2.gz WKFJTKWIOPCCKV-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO COCCC[N@H+](C)CCNC(=O)C=NOC ZINC000774005252 585648330 /nfs/dbraw/zinc/64/83/30/585648330.db2.gz VBCIIJWVGDPCKL-UHFFFAOYSA-N 1 0 231.296 -0.297 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@]1(O)CCOC1 ZINC000774082984 585649833 /nfs/dbraw/zinc/64/98/33/585649833.db2.gz UPYFIAMGOKOVRS-LLVKDONJSA-N 1 0 228.292 -0.628 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@]1(O)CCOC1 ZINC000774083417 585649848 /nfs/dbraw/zinc/64/98/48/585649848.db2.gz UPYFIAMGOKOVRS-NSHDSACASA-N 1 0 228.292 -0.628 20 30 BBEDRO C=C(CO)C(=O)N1CC[NH+]2CCC1CC2 ZINC000774094428 585650173 /nfs/dbraw/zinc/65/01/73/585650173.db2.gz DLUUBBTZOGZSCZ-UHFFFAOYSA-N 1 0 210.277 -0.159 20 30 BBEDRO CON=CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000774444215 585659221 /nfs/dbraw/zinc/65/92/21/585659221.db2.gz UYBTWKBIIHUEOK-SECBINFHSA-N 1 0 217.269 -0.953 20 30 BBEDRO CON=CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000774444216 585659364 /nfs/dbraw/zinc/65/93/64/585659364.db2.gz UYBTWKBIIHUEOK-VIFPVBQESA-N 1 0 217.269 -0.953 20 30 BBEDRO C#CCNC(=O)C[N@H+](C)CCCn1ccnc1 ZINC000774742969 585664887 /nfs/dbraw/zinc/66/48/87/585664887.db2.gz CZXNWKKAVQCBIK-UHFFFAOYSA-N 1 0 234.303 -0.046 20 30 BBEDRO C#C[C@@H](C)NC(=O)CN1CC[NH+](CC)CC1 ZINC000775385254 585677121 /nfs/dbraw/zinc/67/71/21/585677121.db2.gz ZTWZNHGQEWUGEH-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#C[C@H](C)NC(=O)CN1CC[NH+](CC)CC1 ZINC000775385265 585677160 /nfs/dbraw/zinc/67/71/60/585677160.db2.gz ZTWZNHGQEWUGEH-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO CNC(=O)[C@@H]([NH2+]CC(=O)NCCC#N)C(C)C ZINC000775436062 585677918 /nfs/dbraw/zinc/67/79/18/585677918.db2.gz RJWSYCQSHKIAJK-JTQLQIEISA-N 1 0 240.307 -0.624 20 30 BBEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1CCCO1 ZINC000775795803 583104296 /nfs/dbraw/zinc/10/42/96/583104296.db2.gz ZPBUUTFIJOAUMQ-CIUDSAMLSA-N 1 0 239.275 -0.660 20 30 BBEDRO C#C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@H]1CCCO1 ZINC000775795804 583104228 /nfs/dbraw/zinc/10/42/28/583104228.db2.gz ZPBUUTFIJOAUMQ-HRDYMLBCSA-N 1 0 239.275 -0.660 20 30 BBEDRO C#C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1CCCO1 ZINC000775795805 583104660 /nfs/dbraw/zinc/10/46/60/583104660.db2.gz ZPBUUTFIJOAUMQ-VGMNWLOBSA-N 1 0 239.275 -0.660 20 30 BBEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@H]1CCCO1 ZINC000775795806 583104601 /nfs/dbraw/zinc/10/46/01/583104601.db2.gz ZPBUUTFIJOAUMQ-XHNCKOQMSA-N 1 0 239.275 -0.660 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C#C)[C@H]1CCCO1 ZINC000775797425 585685381 /nfs/dbraw/zinc/68/53/81/585685381.db2.gz BUGKURJVSUYQRO-QJPTWQEYSA-N 1 0 234.299 -0.105 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C#C)[C@H]1CCCO1 ZINC000775797426 585685323 /nfs/dbraw/zinc/68/53/23/585685323.db2.gz BUGKURJVSUYQRO-SDDRHHMPSA-N 1 0 234.299 -0.105 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C#C)[C@@H]1CCCO1 ZINC000775797427 585685156 /nfs/dbraw/zinc/68/51/56/585685156.db2.gz BUGKURJVSUYQRO-SRVKXCTJSA-N 1 0 234.299 -0.105 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C#C)[C@@H]1CCCO1 ZINC000775797429 585685164 /nfs/dbraw/zinc/68/51/64/585685164.db2.gz BUGKURJVSUYQRO-TUAOUCFPSA-N 1 0 234.299 -0.105 20 30 BBEDRO C#C[C@@H](NCC(=O)NCCC#N)[C@H]1CCCO1 ZINC000775802230 634191546 /nfs/dbraw/zinc/19/15/46/634191546.db2.gz ZPEVHTLKRRNLTJ-GHMZBOCLSA-N 1 0 235.287 -0.213 20 30 BBEDRO C#C[C@@H](NCC(=O)NCCC#N)[C@@H]1CCCO1 ZINC000775802231 634192350 /nfs/dbraw/zinc/19/23/50/634192350.db2.gz ZPEVHTLKRRNLTJ-MNOVXSKESA-N 1 0 235.287 -0.213 20 30 BBEDRO C#C[C@H](NCC(=O)NCCC#N)[C@@H]1CCCO1 ZINC000775802249 634191112 /nfs/dbraw/zinc/19/11/12/634191112.db2.gz ZPEVHTLKRRNLTJ-QWRGUYRKSA-N 1 0 235.287 -0.213 20 30 BBEDRO C#C[C@H](NCC(=O)NCCC#N)[C@H]1CCCO1 ZINC000775802257 634191296 /nfs/dbraw/zinc/19/12/96/634191296.db2.gz ZPEVHTLKRRNLTJ-WDEREUQCSA-N 1 0 235.287 -0.213 20 30 BBEDRO CN(C)c1ccncc1C=NNC(N)=[NH2+] ZINC000776186015 585691982 /nfs/dbraw/zinc/69/19/82/585691982.db2.gz OZGIJBLMGCHDHK-UHFFFAOYSA-N 1 0 206.253 -0.035 20 30 BBEDRO COC(=O)Cn1cccc1C=NNC(N)=[NH2+] ZINC000776186561 585692098 /nfs/dbraw/zinc/69/20/98/585692098.db2.gz VWGIABLFWBTGJG-UHFFFAOYSA-N 1 0 223.236 -0.522 20 30 BBEDRO CN(C)c1cc[nH+]cc1C=NOCC(N)=O ZINC000776187834 585692335 /nfs/dbraw/zinc/69/23/35/585692335.db2.gz ZZEAWEOSVOOPDE-UHFFFAOYSA-N 1 0 222.248 -0.017 20 30 BBEDRO C#C[C@@H](NC(=O)C[NH+](C)C)[C@H]1CCCO1 ZINC000776264683 585694211 /nfs/dbraw/zinc/69/42/11/585694211.db2.gz SJKRVRHDNFAXBH-NXEZZACHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#C[C@H](NC(=O)C[NH+](C)C)[C@@H]1CCCO1 ZINC000776264713 585694195 /nfs/dbraw/zinc/69/41/95/585694195.db2.gz SJKRVRHDNFAXBH-UWVGGRQHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#C[C@H](NC(=O)C[NH+](C)C)[C@H]1CCCO1 ZINC000776264716 585694306 /nfs/dbraw/zinc/69/43/06/585694306.db2.gz SJKRVRHDNFAXBH-VHSXEESVSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#C[C@@H](NC(=O)C[NH+](C)C)[C@@H]1CCCO1 ZINC000776264718 585694146 /nfs/dbraw/zinc/69/41/46/585694146.db2.gz SJKRVRHDNFAXBH-ZJUUUORDSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCOC[C@H]1OCC ZINC000776484801 585699101 /nfs/dbraw/zinc/69/91/01/585699101.db2.gz LARQYHPELQYOMR-GHMZBOCLSA-N 1 0 240.303 -0.481 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCOC[C@@H]1OCC ZINC000776484802 585699194 /nfs/dbraw/zinc/69/91/94/585699194.db2.gz LARQYHPELQYOMR-MNOVXSKESA-N 1 0 240.303 -0.481 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1CCOC[C@@H]1OCC ZINC000776484803 585699176 /nfs/dbraw/zinc/69/91/76/585699176.db2.gz LARQYHPELQYOMR-QWRGUYRKSA-N 1 0 240.303 -0.481 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1CCOC[C@H]1OCC ZINC000776484804 585699338 /nfs/dbraw/zinc/69/93/38/585699338.db2.gz LARQYHPELQYOMR-WDEREUQCSA-N 1 0 240.303 -0.481 20 30 BBEDRO C#CCCN1CC[NH+](C[C@@H](O)COC)CC1 ZINC000776592743 585702112 /nfs/dbraw/zinc/70/21/12/585702112.db2.gz MMFNXMGEUARDFU-GFCCVEGCSA-N 1 0 226.320 -0.365 20 30 BBEDRO C#CCC[NH+]1CCN(CCOCCO)CC1 ZINC000776593204 585702272 /nfs/dbraw/zinc/70/22/72/585702272.db2.gz SSFCIMMQTTYVMU-UHFFFAOYSA-N 1 0 226.320 -0.364 20 30 BBEDRO C#CCC[NH+]1CCN(Cc2cn(C)nn2)CC1 ZINC000776594093 585702161 /nfs/dbraw/zinc/70/21/61/585702161.db2.gz UJGCPKCUUZXESZ-UHFFFAOYSA-N 1 0 233.319 -0.044 20 30 BBEDRO C#CCCN1CC[NH+](CCC(=O)NC)CC1 ZINC000776594262 585702119 /nfs/dbraw/zinc/70/21/19/585702119.db2.gz AOVHDYURMWQUHT-UHFFFAOYSA-N 1 0 223.320 -0.237 20 30 BBEDRO C#CCC[NH+]1CCN(Cc2nnnn2C)CC1 ZINC000776594453 585702378 /nfs/dbraw/zinc/70/23/78/585702378.db2.gz HGFNMLCLUIPAGU-UHFFFAOYSA-N 1 0 234.307 -0.649 20 30 BBEDRO C#CCCN1CC[NH+](C[C@H](O)COC)CC1 ZINC000776594557 585702155 /nfs/dbraw/zinc/70/21/55/585702155.db2.gz MMFNXMGEUARDFU-LBPRGKRZSA-N 1 0 226.320 -0.365 20 30 BBEDRO C=CCNC(=O)CNC(=S)NCC[NH+](C)C ZINC000776734703 585703524 /nfs/dbraw/zinc/70/35/24/585703524.db2.gz LOQWMVSQTJUIBP-UHFFFAOYSA-N 1 0 244.364 -0.686 20 30 BBEDRO C=CCNC(=O)CNC(=O)C1([NH+](C)C)CCC1 ZINC000777515626 585714151 /nfs/dbraw/zinc/71/41/51/585714151.db2.gz MAEBLKOKKIUIDP-UHFFFAOYSA-N 1 0 239.319 -0.111 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000778213462 585728129 /nfs/dbraw/zinc/72/81/29/585728129.db2.gz KULMAUJFWVYEDP-UHFFFAOYSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@](O)(CC)C1 ZINC000778387653 585733153 /nfs/dbraw/zinc/73/31/53/585733153.db2.gz INWGLDOPTSFYLS-LLVKDONJSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@](O)(CC)C1 ZINC000778387654 585732926 /nfs/dbraw/zinc/73/29/26/585732926.db2.gz INWGLDOPTSFYLS-NSHDSACASA-N 1 0 210.277 -0.417 20 30 BBEDRO CC[C@@]1(O)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000778396994 585733550 /nfs/dbraw/zinc/73/35/50/585733550.db2.gz BKUJFXMSHLYDMV-LLVKDONJSA-N 1 0 225.292 -0.137 20 30 BBEDRO CC[C@]1(O)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000778396995 585733771 /nfs/dbraw/zinc/73/37/71/585733771.db2.gz BKUJFXMSHLYDMV-NSHDSACASA-N 1 0 225.292 -0.137 20 30 BBEDRO C#CCCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000778952941 585742670 /nfs/dbraw/zinc/74/26/70/585742670.db2.gz IBWHWHWOJWPSAK-SECBINFHSA-N 1 0 221.260 -0.364 20 30 BBEDRO C#CCCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000778952942 585742756 /nfs/dbraw/zinc/74/27/56/585742756.db2.gz IBWHWHWOJWPSAK-VIFPVBQESA-N 1 0 221.260 -0.364 20 30 BBEDRO C#CC[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000779317536 585750400 /nfs/dbraw/zinc/75/04/00/585750400.db2.gz IXZIBLLFNSHDSC-UHFFFAOYSA-N 1 0 237.303 -0.662 20 30 BBEDRO C[C@@H]1CNC(NN=C2CN(C)C[C@H]2C)=[NH+]1 ZINC000779794257 585764408 /nfs/dbraw/zinc/76/44/08/585764408.db2.gz FPNHCBDPCXMCRB-HTQZYQBOSA-N 1 0 209.297 -0.139 20 30 BBEDRO C[C@@H]1CNC(NN=C2CN(C)C[C@@H]2C)=[NH+]1 ZINC000779794258 585764520 /nfs/dbraw/zinc/76/45/20/585764520.db2.gz FPNHCBDPCXMCRB-JGVFFNPUSA-N 1 0 209.297 -0.139 20 30 BBEDRO C[C@@H]1CN(C)CC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779794259 585764321 /nfs/dbraw/zinc/76/43/21/585764321.db2.gz FPNHCBDPCXMCRB-SFYZADRCSA-N 1 0 209.297 -0.139 20 30 BBEDRO C[C@H]1CNC(NN=C2CN(C)C[C@@H]2C)=[NH+]1 ZINC000779794260 585764482 /nfs/dbraw/zinc/76/44/82/585764482.db2.gz FPNHCBDPCXMCRB-YUMQZZPRSA-N 1 0 209.297 -0.139 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnn(C)c2)N1 ZINC000779795773 585764243 /nfs/dbraw/zinc/76/42/43/585764243.db2.gz XXAKLANWFDMARI-SSDOTTSWSA-N 1 0 206.253 -0.309 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2cnn(C)c2)N1 ZINC000779795775 585764277 /nfs/dbraw/zinc/76/42/77/585764277.db2.gz XXAKLANWFDMARI-ZETCQYMHSA-N 1 0 206.253 -0.309 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccnn2C)N1 ZINC000779795844 585764304 /nfs/dbraw/zinc/76/43/04/585764304.db2.gz ZCYJEFZWGCIKON-SSDOTTSWSA-N 1 0 206.253 -0.309 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2ccnn2C)N1 ZINC000779795845 585764272 /nfs/dbraw/zinc/76/42/72/585764272.db2.gz ZCYJEFZWGCIKON-ZETCQYMHSA-N 1 0 206.253 -0.309 20 30 BBEDRO COc1ncnc(N)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779797611 644714742 /nfs/dbraw/zinc/71/47/42/644714742.db2.gz HRXPFSHEYQUUEE-LURJTMIESA-N 1 0 249.278 -0.661 20 30 BBEDRO COc1ncnc(N)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779797640 644714418 /nfs/dbraw/zinc/71/44/18/644714418.db2.gz HRXPFSHEYQUUEE-ZCFIWIBFSA-N 1 0 249.278 -0.661 20 30 BBEDRO C[C@H]1CNC(NN=C2CCS(=O)CC2)=[NH+]1 ZINC000779798774 644717500 /nfs/dbraw/zinc/71/75/00/644717500.db2.gz GWLLKKRDMJTVCO-CIFJEQONSA-N 1 0 228.321 -0.178 20 30 BBEDRO C[C@@H]1CNC(NN=C2CCS(=O)CC2)=[NH+]1 ZINC000779798775 644717124 /nfs/dbraw/zinc/71/71/24/644717124.db2.gz GWLLKKRDMJTVCO-ZVHFFGPBSA-N 1 0 228.321 -0.178 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2cncn2C)N1 ZINC000779799633 585764749 /nfs/dbraw/zinc/76/47/49/585764749.db2.gz LBFGZXHUZVRKQY-SSDOTTSWSA-N 1 0 206.253 -0.309 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2cncn2C)N1 ZINC000779799634 585764557 /nfs/dbraw/zinc/76/45/57/585764557.db2.gz LBFGZXHUZVRKQY-ZETCQYMHSA-N 1 0 206.253 -0.309 20 30 BBEDRO COCCOCC(C)=NNC1=[NH+][C@H](C)CN1 ZINC000779801227 585764719 /nfs/dbraw/zinc/76/47/19/585764719.db2.gz SIDVXKVGPUCGMO-MRVPVSSYSA-N 1 0 228.296 -0.037 20 30 BBEDRO COCCOCC(C)=NNC1=[NH+][C@@H](C)CN1 ZINC000779801228 585764696 /nfs/dbraw/zinc/76/46/96/585764696.db2.gz SIDVXKVGPUCGMO-QMMMGPOBSA-N 1 0 228.296 -0.037 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2nccn2C)N1 ZINC000779803775 585764897 /nfs/dbraw/zinc/76/48/97/585764897.db2.gz UPFGBMFAQZBIGN-SSDOTTSWSA-N 1 0 206.253 -0.309 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2nccn2C)N1 ZINC000779803776 585764950 /nfs/dbraw/zinc/76/49/50/585764950.db2.gz UPFGBMFAQZBIGN-ZETCQYMHSA-N 1 0 206.253 -0.309 20 30 BBEDRO C[C@@H]1CNC(NN=C2CCCS(=O)(=O)C2)=[NH+]1 ZINC000779804244 631546007 /nfs/dbraw/zinc/54/60/07/631546007.db2.gz CDYHUZDKZDKQGW-SSDOTTSWSA-N 1 0 244.320 -0.512 20 30 BBEDRO C[C@H]1CNC(NN=C2CCCS(=O)(=O)C2)=[NH+]1 ZINC000779804254 631546988 /nfs/dbraw/zinc/54/69/88/631546988.db2.gz CDYHUZDKZDKQGW-ZETCQYMHSA-N 1 0 244.320 -0.512 20 30 BBEDRO Cc1[nH]cnc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779805356 644717091 /nfs/dbraw/zinc/71/70/91/644717091.db2.gz NMUGRCSFNWYLNH-LURJTMIESA-N 1 0 206.253 -0.011 20 30 BBEDRO Cc1[nH]cnc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779805357 644717502 /nfs/dbraw/zinc/71/75/02/644717502.db2.gz NMUGRCSFNWYLNH-ZCFIWIBFSA-N 1 0 206.253 -0.011 20 30 BBEDRO C#CCNC(=O)CN(CCCCC)CC(N)=O ZINC000780341601 644729391 /nfs/dbraw/zinc/72/93/91/644729391.db2.gz AMVIQKGISDYKPR-UHFFFAOYSA-N 1 0 239.319 -0.287 20 30 BBEDRO C#CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000781214370 585793481 /nfs/dbraw/zinc/79/34/81/585793481.db2.gz HJKHKAYSWWWFMA-JTQLQIEISA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000781214371 585793658 /nfs/dbraw/zinc/79/36/58/585793658.db2.gz HJKHKAYSWWWFMA-SNVBAGLBSA-N 1 0 224.304 -0.077 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CCCN(C=O)CC1 ZINC000781567934 585798828 /nfs/dbraw/zinc/79/88/28/585798828.db2.gz VDQNSSOKOWCJDL-LLVKDONJSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCCN(C=O)CC1 ZINC000781567935 585798815 /nfs/dbraw/zinc/79/88/15/585798815.db2.gz VDQNSSOKOWCJDL-NSHDSACASA-N 1 0 239.319 -0.159 20 30 BBEDRO C#CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000781859465 585804496 /nfs/dbraw/zinc/80/44/96/585804496.db2.gz GPXSDWPJSAGXBG-JTQLQIEISA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000781859466 585804424 /nfs/dbraw/zinc/80/44/24/585804424.db2.gz GPXSDWPJSAGXBG-SNVBAGLBSA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CCO)C1CCOCC1 ZINC000781981722 644737722 /nfs/dbraw/zinc/73/77/22/644737722.db2.gz HMJQHSRGTIFCSP-UHFFFAOYSA-N 1 0 240.303 -0.791 20 30 BBEDRO C#CCNC(=S)NCC[N@@H+]1CCCOCC1 ZINC000782210102 585812127 /nfs/dbraw/zinc/81/21/27/585812127.db2.gz IYUICRFOKOEIEE-UHFFFAOYSA-N 1 0 241.360 -0.194 20 30 BBEDRO C#CCNC(=S)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000782400016 585817395 /nfs/dbraw/zinc/81/73/95/585817395.db2.gz AKRCYPJENJQSPQ-AOOOYVTPSA-N 1 0 223.345 -0.013 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000782535645 585820032 /nfs/dbraw/zinc/82/00/32/585820032.db2.gz MCIJYMZJUGEUQQ-NXEZZACHSA-N 1 0 237.303 -0.631 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000782535650 585819952 /nfs/dbraw/zinc/81/99/52/585819952.db2.gz MCIJYMZJUGEUQQ-UWVGGRQHSA-N 1 0 237.303 -0.631 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000782535651 585819832 /nfs/dbraw/zinc/81/98/32/585819832.db2.gz MCIJYMZJUGEUQQ-VHSXEESVSA-N 1 0 237.303 -0.631 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000782535653 585820089 /nfs/dbraw/zinc/82/00/89/585820089.db2.gz MCIJYMZJUGEUQQ-ZJUUUORDSA-N 1 0 237.303 -0.631 20 30 BBEDRO COCCC[N@H+](CCO)CC(=O)NCCC#N ZINC000782576665 585820105 /nfs/dbraw/zinc/82/01/05/585820105.db2.gz LSSWDXKQDAVIHH-UHFFFAOYSA-N 1 0 243.307 -0.653 20 30 BBEDRO C#CCNC(=O)C[N@@H+](CCO)CCCOC ZINC000782577190 585820325 /nfs/dbraw/zinc/82/03/25/585820325.db2.gz NXFJVKVRKJUQSI-UHFFFAOYSA-N 1 0 228.292 -0.933 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)CC1(CO)CC1 ZINC000782597420 644741325 /nfs/dbraw/zinc/74/13/25/644741325.db2.gz XQWJYHIKXPVNCO-UHFFFAOYSA-N 1 0 210.277 -0.560 20 30 BBEDRO C[N@H+](CC(=O)NCCC#N)CC1(CO)CC1 ZINC000782597925 644742248 /nfs/dbraw/zinc/74/22/48/644742248.db2.gz BPRLMWOIOQDQEV-UHFFFAOYSA-N 1 0 225.292 -0.279 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782611146 585822019 /nfs/dbraw/zinc/82/20/19/585822019.db2.gz CJCBTEAGYZNNPH-JBLDHEPKSA-N 1 0 222.288 -0.562 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782611148 711677425 /nfs/dbraw/zinc/67/74/25/711677425.db2.gz CJCBTEAGYZNNPH-UMNHJUIQSA-N 1 0 222.288 -0.562 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782622113 585823088 /nfs/dbraw/zinc/82/30/88/585823088.db2.gz OQLJIFYOWMGNDL-JBLDHEPKSA-N 1 0 224.304 -0.009 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782622115 585822946 /nfs/dbraw/zinc/82/29/46/585822946.db2.gz OQLJIFYOWMGNDL-UMNHJUIQSA-N 1 0 224.304 -0.009 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)NCCn1ccnn1 ZINC000782735749 585824205 /nfs/dbraw/zinc/82/42/05/585824205.db2.gz HJKJXMIHDSJYCG-NSHDSACASA-N 1 0 247.302 -0.508 20 30 BBEDRO NC(=[NH2+])NN=Cc1cn(Cc2cccnc2)nn1 ZINC000783823772 585844231 /nfs/dbraw/zinc/84/42/31/585844231.db2.gz IUWQLUXAFDIKPN-UHFFFAOYSA-N 1 0 244.262 -0.462 20 30 BBEDRO C#CCOCCNC(=O)NCc1nccn1C ZINC000784328241 585855817 /nfs/dbraw/zinc/85/58/17/585855817.db2.gz NVZOGBFBNCWQDG-UHFFFAOYSA-N 1 0 236.275 -0.131 20 30 BBEDRO N#CC1(NC(=O)C[NH2+][C@@H](CO)C2CC2)CCC1 ZINC000784347421 585856351 /nfs/dbraw/zinc/85/63/51/585856351.db2.gz NMOCGRVQGVDXAA-JTQLQIEISA-N 1 0 237.303 -0.091 20 30 BBEDRO N#CC1(NC(=O)C[NH2+][C@H](CO)C2CC2)CCC1 ZINC000784347425 583011483 /nfs/dbraw/zinc/01/14/83/583011483.db2.gz NMOCGRVQGVDXAA-SNVBAGLBSA-N 1 0 237.303 -0.091 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@]1(CC)CO ZINC000784387512 585857851 /nfs/dbraw/zinc/85/78/51/585857851.db2.gz CHYNULZUVYGUCY-GFCCVEGCSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@]1(CC)CO ZINC000784387513 585858029 /nfs/dbraw/zinc/85/80/29/585858029.db2.gz CHYNULZUVYGUCY-LBPRGKRZSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000784395344 585858645 /nfs/dbraw/zinc/85/86/45/585858645.db2.gz UUEILRCBNFXWHO-XYPYZODXSA-N 1 0 224.304 -0.029 20 30 BBEDRO C[C@@H](O)C[N@H+](CC(=O)NCCC#N)[C@H](C)CO ZINC000785537677 585875544 /nfs/dbraw/zinc/87/55/44/585875544.db2.gz ROHOJHCDAGWSKR-NXEZZACHSA-N 1 0 243.307 -0.920 20 30 BBEDRO C[C@H](O)C[N@H+](CC(=O)NCCC#N)[C@@H](C)CO ZINC000785537679 585875709 /nfs/dbraw/zinc/87/57/09/585875709.db2.gz ROHOJHCDAGWSKR-UWVGGRQHSA-N 1 0 243.307 -0.920 20 30 BBEDRO C[C@@H](O)C[N@H+](CC(=O)NCCC#N)[C@@H](C)CO ZINC000785537681 585875547 /nfs/dbraw/zinc/87/55/47/585875547.db2.gz ROHOJHCDAGWSKR-VHSXEESVSA-N 1 0 243.307 -0.920 20 30 BBEDRO C[C@H](CO)[N@@H+](CC(=O)NCCC#N)C[C@H](C)O ZINC000785537682 585875446 /nfs/dbraw/zinc/87/54/46/585875446.db2.gz ROHOJHCDAGWSKR-ZJUUUORDSA-N 1 0 243.307 -0.920 20 30 BBEDRO C=CCCN(C)CN1C(=O)C(=O)N(C)C1=O ZINC000786101726 585887477 /nfs/dbraw/zinc/88/74/77/585887477.db2.gz OILQFOREQSWOOU-UHFFFAOYSA-N 1 0 225.248 -0.128 20 30 BBEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)O)CC1 ZINC000787023212 644782954 /nfs/dbraw/zinc/78/29/54/644782954.db2.gz XNXJXALHENXEBI-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)O)CC1 ZINC000787023213 644781839 /nfs/dbraw/zinc/78/18/39/644781839.db2.gz XNXJXALHENXEBI-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000787324401 585906993 /nfs/dbraw/zinc/90/69/93/585906993.db2.gz BZTVCPGSUBTBJY-NXEZZACHSA-N 1 0 238.287 -0.381 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000787324413 585906929 /nfs/dbraw/zinc/90/69/29/585906929.db2.gz BZTVCPGSUBTBJY-UWVGGRQHSA-N 1 0 238.287 -0.381 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000787324416 585906693 /nfs/dbraw/zinc/90/66/93/585906693.db2.gz BZTVCPGSUBTBJY-VHSXEESVSA-N 1 0 238.287 -0.381 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000787324419 585906746 /nfs/dbraw/zinc/90/67/46/585906746.db2.gz BZTVCPGSUBTBJY-ZJUUUORDSA-N 1 0 238.287 -0.381 20 30 BBEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC#N ZINC000787357744 644783931 /nfs/dbraw/zinc/78/39/31/644783931.db2.gz SJBLEGHLJFKVEH-JTQLQIEISA-N 1 0 228.296 -0.488 20 30 BBEDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCC#N ZINC000787357758 644784180 /nfs/dbraw/zinc/78/41/80/644784180.db2.gz SJBLEGHLJFKVEH-SNVBAGLBSA-N 1 0 228.296 -0.488 20 30 BBEDRO C#CCCNC(=O)NCCOCC[NH+](C)C ZINC000788019259 583895870 /nfs/dbraw/zinc/89/58/70/583895870.db2.gz RPTGPWMUALWQQX-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO C[NH+](C)[C@@H]1CCCC(=NNCC(N)=O)C1 ZINC000788437626 585923357 /nfs/dbraw/zinc/92/33/57/585923357.db2.gz BYBXHSRKRYBATO-SECBINFHSA-N 1 0 212.297 -0.079 20 30 BBEDRO C[NH+](C)[C@H]1CCCC(=NNCC(N)=O)C1 ZINC000788437627 585923340 /nfs/dbraw/zinc/92/33/40/585923340.db2.gz BYBXHSRKRYBATO-VIFPVBQESA-N 1 0 212.297 -0.079 20 30 BBEDRO NC(=[NH2+])NN=Cc1ccccc1C(N)=O ZINC000788708905 585929299 /nfs/dbraw/zinc/92/92/99/585929299.db2.gz DJKPDSMGBYJFOY-UHFFFAOYSA-N 1 0 205.221 -0.398 20 30 BBEDRO NC(=[NH2+])NN=Cc1ccc2c(c1)NC(=O)CO2 ZINC000788710364 585929394 /nfs/dbraw/zinc/92/93/94/585929394.db2.gz XBKMWSNLOXIFQQ-UHFFFAOYSA-N 1 0 233.231 -0.166 20 30 BBEDRO C#CCC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789377104 585941790 /nfs/dbraw/zinc/94/17/90/585941790.db2.gz GPDOFLAENCSQCA-LLVKDONJSA-N 1 0 221.260 -0.316 20 30 BBEDRO C#CCC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789377105 585941706 /nfs/dbraw/zinc/94/17/06/585941706.db2.gz GPDOFLAENCSQCA-NSHDSACASA-N 1 0 221.260 -0.316 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000789379607 585941845 /nfs/dbraw/zinc/94/18/45/585941845.db2.gz ZAIWZGKXMYMXQV-GHMZBOCLSA-N 1 0 240.303 -0.481 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000789379610 585941850 /nfs/dbraw/zinc/94/18/50/585941850.db2.gz ZAIWZGKXMYMXQV-MNOVXSKESA-N 1 0 240.303 -0.481 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000789379612 585941677 /nfs/dbraw/zinc/94/16/77/585941677.db2.gz ZAIWZGKXMYMXQV-QWRGUYRKSA-N 1 0 240.303 -0.481 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](COC)[C@H]1CCCO1 ZINC000789379613 585941712 /nfs/dbraw/zinc/94/17/12/585941712.db2.gz ZAIWZGKXMYMXQV-WDEREUQCSA-N 1 0 240.303 -0.481 20 30 BBEDRO COC(=O)c1cc(C=NNC(N)=[NH2+])cn1C ZINC000790153066 585958871 /nfs/dbraw/zinc/95/88/71/585958871.db2.gz BUYZZVZFUQWUDN-UHFFFAOYSA-N 1 0 223.236 -0.371 20 30 BBEDRO CC(C)(C)n1cc(C=NNC(N)=[NH2+])nn1 ZINC000790153853 585958799 /nfs/dbraw/zinc/95/87/99/585958799.db2.gz LSUFGQHWVYWDGQ-UHFFFAOYSA-N 1 0 209.257 -0.150 20 30 BBEDRO CCN(C)c1ccc(C=[NH+]NCC(N)=O)cn1 ZINC000790175957 585959437 /nfs/dbraw/zinc/95/94/37/585959437.db2.gz JYXALDFSYWRNIK-UHFFFAOYSA-N 1 0 235.291 -0.054 20 30 BBEDRO C=C(CO)C(=O)NCCCC[NH+]1CCOCC1 ZINC000791327495 585977584 /nfs/dbraw/zinc/97/75/84/585977584.db2.gz MSZASPBZCFNCCX-UHFFFAOYSA-N 1 0 242.319 -0.237 20 30 BBEDRO C=C(CO)C(=O)N(CCOC)CC[NH+](C)C ZINC000791353738 585978561 /nfs/dbraw/zinc/97/85/61/585978561.db2.gz UKGUKTPBTSXWSR-UHFFFAOYSA-N 1 0 230.308 -0.429 20 30 BBEDRO C=C(CO)C(=O)N[C@H](C)CC[NH+](C)C ZINC000791364908 585979102 /nfs/dbraw/zinc/97/91/02/585979102.db2.gz XPUCAHTXKIBKFR-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(CO)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000791364914 585979140 /nfs/dbraw/zinc/97/91/40/585979140.db2.gz XPUCAHTXKIBKFR-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(CO)C(=O)NCC[N@@H+](C)CCCOC ZINC000791372943 585979288 /nfs/dbraw/zinc/97/92/88/585979288.db2.gz NXBJLKRSMFFWNF-UHFFFAOYSA-N 1 0 230.308 -0.381 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CCO ZINC000791383814 585979775 /nfs/dbraw/zinc/97/97/75/585979775.db2.gz GAGKDDMJHCZCDK-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CCO ZINC000791383815 585979763 /nfs/dbraw/zinc/97/97/63/585979763.db2.gz GAGKDDMJHCZCDK-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)C1CC1 ZINC000791387849 585979892 /nfs/dbraw/zinc/97/98/92/585979892.db2.gz MIVMILJMDZIFCD-JTQLQIEISA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)C1CC1 ZINC000791387851 585979885 /nfs/dbraw/zinc/97/98/85/585979885.db2.gz MIVMILJMDZIFCD-SNVBAGLBSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)CC(C)(CO)CO ZINC000791390617 585980168 /nfs/dbraw/zinc/98/01/68/585980168.db2.gz JJNJXRORMZVDOR-UHFFFAOYSA-N 1 0 244.335 -0.447 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000792408625 586000731 /nfs/dbraw/zinc/00/07/31/586000731.db2.gz HUKITLRRWRKUQK-UHFFFAOYSA-N 1 0 240.303 -0.791 20 30 BBEDRO COc1nccnc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000793038822 586008751 /nfs/dbraw/zinc/00/87/51/586008751.db2.gz FLKHYKMSQIRPRK-SSDOTTSWSA-N 1 0 234.263 -0.244 20 30 BBEDRO COc1nccnc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000793038828 586008705 /nfs/dbraw/zinc/00/87/05/586008705.db2.gz FLKHYKMSQIRPRK-ZETCQYMHSA-N 1 0 234.263 -0.244 20 30 BBEDRO C[C@@H]1CNC(NN=C2CCC(=O)NC2(C)C)=[NH+]1 ZINC000793040457 586008799 /nfs/dbraw/zinc/00/87/99/586008799.db2.gz VFIHBEHWKXTJRQ-SSDOTTSWSA-N 1 0 237.307 -0.032 20 30 BBEDRO C[C@H]1CNC(NN=C2CCC(=O)NC2(C)C)=[NH+]1 ZINC000793040460 586008800 /nfs/dbraw/zinc/00/88/00/586008800.db2.gz VFIHBEHWKXTJRQ-ZETCQYMHSA-N 1 0 237.307 -0.032 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@]1(C)CCOC1=O ZINC000794088330 586031807 /nfs/dbraw/zinc/03/18/07/586031807.db2.gz ZGPNEYHSMLBLHV-LLVKDONJSA-N 1 0 226.276 -0.074 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@]1(C)CCOC1=O ZINC000794088331 586032057 /nfs/dbraw/zinc/03/20/57/586032057.db2.gz ZGPNEYHSMLBLHV-NSHDSACASA-N 1 0 226.276 -0.074 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)COC ZINC000794100896 586032469 /nfs/dbraw/zinc/03/24/69/586032469.db2.gz IFEWIKNVXZYKNQ-VIFPVBQESA-N 1 0 216.281 -0.772 20 30 BBEDRO Cn1cc2c(n1)CCCC2=NNC(N)=[NH2+] ZINC000794489057 586040709 /nfs/dbraw/zinc/04/07/09/586040709.db2.gz PTMAXPFYBOMWHI-UHFFFAOYSA-N 1 0 206.253 -0.056 20 30 BBEDRO CC(N=NC(N)=[NH2+])C(C)(C)n1cncn1 ZINC000794489062 586040502 /nfs/dbraw/zinc/04/05/02/586040502.db2.gz PYMGQPCCCDZWJE-UHFFFAOYSA-N 1 0 209.257 -0.128 20 30 BBEDRO CCC(Cn1cncn1)=NNC1=[NH+][C@H](C)CN1 ZINC000794530109 586042349 /nfs/dbraw/zinc/04/23/49/586042349.db2.gz JPGOCKWTWHZYFH-MRVPVSSYSA-N 1 0 235.295 -0.019 20 30 BBEDRO CCC(Cn1cncn1)=NNC1=[NH+][C@@H](C)CN1 ZINC000794530111 586042226 /nfs/dbraw/zinc/04/22/26/586042226.db2.gz JPGOCKWTWHZYFH-QMMMGPOBSA-N 1 0 235.295 -0.019 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2cn(C)cn2)N1 ZINC000794530966 583603802 /nfs/dbraw/zinc/60/38/02/583603802.db2.gz QEASJJDRYUDRQS-SSDOTTSWSA-N 1 0 206.253 -0.309 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2cn(C)cn2)N1 ZINC000794530968 583603905 /nfs/dbraw/zinc/60/39/05/583603905.db2.gz QEASJJDRYUDRQS-ZETCQYMHSA-N 1 0 206.253 -0.309 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000794577741 586045155 /nfs/dbraw/zinc/04/51/55/586045155.db2.gz SEIVUOXVHRLKMN-NXEZZACHSA-N 1 0 237.303 -0.760 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000794577750 586045124 /nfs/dbraw/zinc/04/51/24/586045124.db2.gz SEIVUOXVHRLKMN-UWVGGRQHSA-N 1 0 237.303 -0.760 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000794577752 583616035 /nfs/dbraw/zinc/61/60/35/583616035.db2.gz SEIVUOXVHRLKMN-VHSXEESVSA-N 1 0 237.303 -0.760 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000794577755 583616015 /nfs/dbraw/zinc/61/60/15/583616015.db2.gz SEIVUOXVHRLKMN-ZJUUUORDSA-N 1 0 237.303 -0.760 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)Nc1cn(C)nn1 ZINC000794607426 586045849 /nfs/dbraw/zinc/04/58/49/586045849.db2.gz ZPLKBFCBPLOSHZ-UHFFFAOYSA-N 1 0 209.253 -0.129 20 30 BBEDRO CC[N@H+](CC(=O)NCCC#N)[C@H](C)CO ZINC000794713023 586047168 /nfs/dbraw/zinc/04/71/68/586047168.db2.gz UPEDXGLFMDIBHZ-SECBINFHSA-N 1 0 213.281 -0.281 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794849441 586050892 /nfs/dbraw/zinc/05/08/92/586050892.db2.gz GSZXQYFCVPSTFA-UKKRHICBSA-N 1 0 222.288 -0.706 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794849449 586050756 /nfs/dbraw/zinc/05/07/56/586050756.db2.gz GSZXQYFCVPSTFA-ZNSHCXBVSA-N 1 0 222.288 -0.706 20 30 BBEDRO CC(C)C(CS(=O)(=O)N(C)C)N=NC(N)=[NH2+] ZINC000794888532 586053619 /nfs/dbraw/zinc/05/36/19/586053619.db2.gz PFNKNCCBFWDDHE-UHFFFAOYSA-N 1 0 249.340 -0.627 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=C2C(=O)OC[C@@H]2C)N1 ZINC000794926616 586055307 /nfs/dbraw/zinc/05/53/07/586055307.db2.gz CCAWDVFUBNPRPR-NTSWFWBYSA-N 1 0 210.237 -0.527 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=C2C(=O)OC[C@H]2C)N1 ZINC000794926617 586055506 /nfs/dbraw/zinc/05/55/06/586055506.db2.gz CCAWDVFUBNPRPR-PHDIDXHHSA-N 1 0 210.237 -0.527 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=C2C(=O)OC[C@H]2C)N1 ZINC000794926618 586055334 /nfs/dbraw/zinc/05/53/34/586055334.db2.gz CCAWDVFUBNPRPR-RITPCOANSA-N 1 0 210.237 -0.527 20 30 BBEDRO C[C@H]1COC(=O)C1=NNC1=[NH+]C[C@H](C)N1 ZINC000794926619 586055359 /nfs/dbraw/zinc/05/53/59/586055359.db2.gz CCAWDVFUBNPRPR-WDSKDSINSA-N 1 0 210.237 -0.527 20 30 BBEDRO Cc1cnn(C)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000794927550 586055661 /nfs/dbraw/zinc/05/56/61/586055661.db2.gz NUXHVEPRWOHSLB-MRVPVSSYSA-N 1 0 220.280 0.000 20 30 BBEDRO Cc1cnn(C)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000794927551 586055673 /nfs/dbraw/zinc/05/56/73/586055673.db2.gz NUXHVEPRWOHSLB-QMMMGPOBSA-N 1 0 220.280 0.000 20 30 BBEDRO C#CCNC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000794930834 586056272 /nfs/dbraw/zinc/05/62/72/586056272.db2.gz WPBKMRCGAFVCFY-GHMZBOCLSA-N 1 0 221.304 -0.628 20 30 BBEDRO C#CCNC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000794930840 586056402 /nfs/dbraw/zinc/05/64/02/586056402.db2.gz WPBKMRCGAFVCFY-MNOVXSKESA-N 1 0 221.304 -0.628 20 30 BBEDRO C#CCNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000794930842 586056443 /nfs/dbraw/zinc/05/64/43/586056443.db2.gz WPBKMRCGAFVCFY-QWRGUYRKSA-N 1 0 221.304 -0.628 20 30 BBEDRO C#CCNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000794930844 586056385 /nfs/dbraw/zinc/05/63/85/586056385.db2.gz WPBKMRCGAFVCFY-WDEREUQCSA-N 1 0 221.304 -0.628 20 30 BBEDRO COCC#CCN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794986005 586061851 /nfs/dbraw/zinc/06/18/51/586061851.db2.gz IFBVBFYWKWDOPW-URLYPYJESA-N 1 0 223.272 -0.013 20 30 BBEDRO C=CCNC(=O)CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794986657 586061824 /nfs/dbraw/zinc/06/18/24/586061824.db2.gz KOQQFWRDATZXKC-JZYVYDRUSA-N 1 0 238.287 -0.361 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)C1(CO)CCC1 ZINC000795191810 586070909 /nfs/dbraw/zinc/07/09/09/586070909.db2.gz HGDBSJZWWPFUIY-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C[N@H+](CC(=O)NCCC#N)C1(CO)CCC1 ZINC000795194764 586071062 /nfs/dbraw/zinc/07/10/62/586071062.db2.gz YPDRPCVMLCUWNQ-UHFFFAOYSA-N 1 0 225.292 -0.137 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000796218357 586099075 /nfs/dbraw/zinc/09/90/75/586099075.db2.gz SCOFRNULNHTHTN-AOOOYVTPSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](CC)C[C@H]1C ZINC000796324959 586100582 /nfs/dbraw/zinc/10/05/82/586100582.db2.gz UBTKRFUACFZQCO-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](CC)C[C@@H]1C ZINC000796324969 586100605 /nfs/dbraw/zinc/10/06/05/586100605.db2.gz UBTKRFUACFZQCO-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000796581817 586107453 /nfs/dbraw/zinc/10/74/53/586107453.db2.gz SLPDNFLEGWUQIK-LLVKDONJSA-N 1 0 238.291 -0.786 20 30 BBEDRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000796581819 586107350 /nfs/dbraw/zinc/10/73/50/586107350.db2.gz SLPDNFLEGWUQIK-NSHDSACASA-N 1 0 238.291 -0.786 20 30 BBEDRO CO[C@H](C)C[N@H+](C)CC(=O)NCCC#N ZINC000796643369 586109048 /nfs/dbraw/zinc/10/90/48/586109048.db2.gz YOXSFWUPWAVYKH-SECBINFHSA-N 1 0 213.281 -0.017 20 30 BBEDRO CO[C@@H](C)C[N@H+](C)CC(=O)NCCC#N ZINC000796643370 586108924 /nfs/dbraw/zinc/10/89/24/586108924.db2.gz YOXSFWUPWAVYKH-VIFPVBQESA-N 1 0 213.281 -0.017 20 30 BBEDRO C=C(CO)C(=O)NCC[NH+](CC)CC ZINC000798271160 586141936 /nfs/dbraw/zinc/14/19/36/586141936.db2.gz BYYYFFLLGONUNN-UHFFFAOYSA-N 1 0 200.282 -0.007 20 30 BBEDRO C=C(CO)C(=O)NCCC[N@@H+](C)CCOC ZINC000798280337 586142132 /nfs/dbraw/zinc/14/21/32/586142132.db2.gz OOUGMOFYEPMYMC-UHFFFAOYSA-N 1 0 230.308 -0.381 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C)C(=O)C1 ZINC000798294676 586142289 /nfs/dbraw/zinc/14/22/89/586142289.db2.gz QGGKHVXCAYZAHE-UHFFFAOYSA-N 1 0 225.292 -0.595 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](COC)C1 ZINC000798295421 586142404 /nfs/dbraw/zinc/14/24/04/586142404.db2.gz NBSKSAKEBRENFB-LLVKDONJSA-N 1 0 242.319 -0.022 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](COC)C1 ZINC000798295422 586142447 /nfs/dbraw/zinc/14/24/47/586142447.db2.gz NBSKSAKEBRENFB-NSHDSACASA-N 1 0 242.319 -0.022 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1C#N ZINC000798295810 586142428 /nfs/dbraw/zinc/14/24/28/586142428.db2.gz ZSZFEERYNGZATD-JTQLQIEISA-N 1 0 223.276 -0.145 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1C#N ZINC000798295811 586142400 /nfs/dbraw/zinc/14/24/00/586142400.db2.gz ZSZFEERYNGZATD-SNVBAGLBSA-N 1 0 223.276 -0.145 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@@H](C)C(=O)NC ZINC000798296953 586142411 /nfs/dbraw/zinc/14/24/11/586142411.db2.gz KJINDPYRLHIWMK-SECBINFHSA-N 1 0 241.335 -0.055 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@H](C)C(=O)NC ZINC000798296956 586142472 /nfs/dbraw/zinc/14/24/72/586142472.db2.gz KJINDPYRLHIWMK-VIFPVBQESA-N 1 0 241.335 -0.055 20 30 BBEDRO C#CCC[C@H](O)CNC(=S)NCC[NH+](C)C ZINC000798384964 586143413 /nfs/dbraw/zinc/14/34/13/586143413.db2.gz DIRKGONEPUDDHU-JTQLQIEISA-N 1 0 243.376 -0.214 20 30 BBEDRO C#CCC[C@@H](O)CNC(=S)NCC[NH+](C)C ZINC000798384972 586143238 /nfs/dbraw/zinc/14/32/38/586143238.db2.gz DIRKGONEPUDDHU-SNVBAGLBSA-N 1 0 243.376 -0.214 20 30 BBEDRO C#CCC[C@@H](O)CNc1cc[nH+]cc1C(N)=O ZINC000798418565 586143666 /nfs/dbraw/zinc/14/36/66/586143666.db2.gz GIRLQPZWROAGQR-SECBINFHSA-N 1 0 233.271 -0.211 20 30 BBEDRO C#CCC[C@H](O)CNc1cc[nH+]cc1C(N)=O ZINC000798418566 586143683 /nfs/dbraw/zinc/14/36/83/586143683.db2.gz GIRLQPZWROAGQR-VIFPVBQESA-N 1 0 233.271 -0.211 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)[C@@H]1CCCN1CC#C ZINC000799073122 586155609 /nfs/dbraw/zinc/15/56/09/586155609.db2.gz BKECDIUWBVIULR-OLZOCXBDSA-N 1 0 248.326 -0.026 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000799073646 586155850 /nfs/dbraw/zinc/15/58/50/586155850.db2.gz OLUDUOROCDWTSP-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000799073647 586155784 /nfs/dbraw/zinc/15/57/84/586155784.db2.gz OLUDUOROCDWTSP-MNOVXSKESA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCC[C@H](O)CNC(=O)[C@H](C)[NH+](C)C ZINC000799076389 586155848 /nfs/dbraw/zinc/15/58/48/586155848.db2.gz UUBSTSBHXIEZML-UWVGGRQHSA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)[C@H](C)[NH+](C)C ZINC000799076392 586155818 /nfs/dbraw/zinc/15/58/18/586155818.db2.gz UUBSTSBHXIEZML-VHSXEESVSA-N 1 0 212.293 -0.173 20 30 BBEDRO C[C@H](C#N)CN(C)[C@@H]1CCC(=O)NC1=O ZINC000799119832 586159103 /nfs/dbraw/zinc/15/91/03/586159103.db2.gz HOBYPRHRLAIATH-HTQZYQBOSA-N 1 0 209.249 -0.117 20 30 BBEDRO C[C@@H](C#N)CN(C)[C@@H]1CCC(=O)NC1=O ZINC000799119833 586159230 /nfs/dbraw/zinc/15/92/30/586159230.db2.gz HOBYPRHRLAIATH-JGVFFNPUSA-N 1 0 209.249 -0.117 20 30 BBEDRO C[C@H](C#N)CN(C)[C@H]1CCC(=O)NC1=O ZINC000799119835 586159191 /nfs/dbraw/zinc/15/91/91/586159191.db2.gz HOBYPRHRLAIATH-SFYZADRCSA-N 1 0 209.249 -0.117 20 30 BBEDRO C[C@@H](C#N)CN(C)[C@H]1CCC(=O)NC1=O ZINC000799119837 586158961 /nfs/dbraw/zinc/15/89/61/586158961.db2.gz HOBYPRHRLAIATH-YUMQZZPRSA-N 1 0 209.249 -0.117 20 30 BBEDRO C=CCN1CC[C@H](N2CCCNC(=O)C2)C1=O ZINC000799121157 586159275 /nfs/dbraw/zinc/15/92/75/586159275.db2.gz QAUAMLBVEZWJNG-JTQLQIEISA-N 1 0 237.303 -0.405 20 30 BBEDRO C=CCN1CC[C@@H](N2CCCNC(=O)C2)C1=O ZINC000799121158 586159281 /nfs/dbraw/zinc/15/92/81/586159281.db2.gz QAUAMLBVEZWJNG-SNVBAGLBSA-N 1 0 237.303 -0.405 20 30 BBEDRO C#C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCCO1 ZINC000799166188 586163934 /nfs/dbraw/zinc/16/39/34/586163934.db2.gz BMRJXKAPQFOKGS-AEJSXWLSSA-N 1 0 236.271 -0.438 20 30 BBEDRO C#C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCCO1 ZINC000799166189 586163993 /nfs/dbraw/zinc/16/39/93/586163993.db2.gz BMRJXKAPQFOKGS-GUBZILKMSA-N 1 0 236.271 -0.438 20 30 BBEDRO C#C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCCO1 ZINC000799166190 586164227 /nfs/dbraw/zinc/16/42/27/586164227.db2.gz BMRJXKAPQFOKGS-IVZWLZJFSA-N 1 0 236.271 -0.438 20 30 BBEDRO C#C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCCO1 ZINC000799166191 586163827 /nfs/dbraw/zinc/16/38/27/586163827.db2.gz BMRJXKAPQFOKGS-LPEHRKFASA-N 1 0 236.271 -0.438 20 30 BBEDRO C#CCN(CC#N)C[C@@H](O)C[NH+]1CCCC1 ZINC000799201650 586167753 /nfs/dbraw/zinc/16/77/53/586167753.db2.gz NQGYXPKZZHIOMT-GFCCVEGCSA-N 1 0 221.304 -0.098 20 30 BBEDRO C#CCN(CC#N)C[C@H](O)C[NH+]1CCCC1 ZINC000799201651 586167304 /nfs/dbraw/zinc/16/73/04/586167304.db2.gz NQGYXPKZZHIOMT-LBPRGKRZSA-N 1 0 221.304 -0.098 20 30 BBEDRO C#CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799743554 586196014 /nfs/dbraw/zinc/19/60/14/586196014.db2.gz KCLBMZKQZVMLTI-UHFFFAOYSA-N 1 0 223.320 -0.238 20 30 BBEDRO COC(=O)c1[nH]c(C=NNC(N)=[NH2+])cc1C ZINC000799875177 586198951 /nfs/dbraw/zinc/19/89/51/586198951.db2.gz QBAMJXBIPKWXJJ-UHFFFAOYSA-N 1 0 223.236 -0.073 20 30 BBEDRO COC(=O)c1cc(C=NNC(N)=[NH2+])n(C)c1C ZINC000800810720 586230735 /nfs/dbraw/zinc/23/07/35/586230735.db2.gz YOGFIJDBTUVNDA-UHFFFAOYSA-N 1 0 237.263 -0.063 20 30 BBEDRO CC#CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000801143998 644837306 /nfs/dbraw/zinc/83/73/06/644837306.db2.gz CPNYBTRVCDSGLG-GHMZBOCLSA-N 1 0 222.288 -0.011 20 30 BBEDRO CC#CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000801143999 644837924 /nfs/dbraw/zinc/83/79/24/644837924.db2.gz CPNYBTRVCDSGLG-MNOVXSKESA-N 1 0 222.288 -0.011 20 30 BBEDRO CC#CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000801144000 644837868 /nfs/dbraw/zinc/83/78/68/644837868.db2.gz CPNYBTRVCDSGLG-QWRGUYRKSA-N 1 0 222.288 -0.011 20 30 BBEDRO CC#CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000801144001 644837298 /nfs/dbraw/zinc/83/72/98/644837298.db2.gz CPNYBTRVCDSGLG-WDEREUQCSA-N 1 0 222.288 -0.011 20 30 BBEDRO CC#CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000801218135 586248813 /nfs/dbraw/zinc/24/88/13/586248813.db2.gz BJXANUWQDQAEBH-UHFFFAOYSA-N 1 0 210.277 -0.152 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)C(=O)OCC ZINC000801541079 586260869 /nfs/dbraw/zinc/26/08/69/586260869.db2.gz JXFBPDZDFZCLFJ-NXEZZACHSA-N 1 0 240.303 -0.087 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)C(=O)OCC ZINC000801541080 586260816 /nfs/dbraw/zinc/26/08/16/586260816.db2.gz JXFBPDZDFZCLFJ-UWVGGRQHSA-N 1 0 240.303 -0.087 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)C(=O)OCC ZINC000801541081 586261207 /nfs/dbraw/zinc/26/12/07/586261207.db2.gz JXFBPDZDFZCLFJ-VHSXEESVSA-N 1 0 240.303 -0.087 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)C(=O)OCC ZINC000801541082 586261099 /nfs/dbraw/zinc/26/10/99/586261099.db2.gz JXFBPDZDFZCLFJ-ZJUUUORDSA-N 1 0 240.303 -0.087 20 30 BBEDRO C[C@H](C#N)OCC[N@H+](C)[C@H]1CCNC1=O ZINC000801936807 586279205 /nfs/dbraw/zinc/27/92/05/586279205.db2.gz XDQBAKIYUNRBFR-BDAKNGLRSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H]1CCNC1=O ZINC000801936808 586279249 /nfs/dbraw/zinc/27/92/49/586279249.db2.gz XDQBAKIYUNRBFR-DTWKUNHWSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[C@@H](C#N)OCC[N@H+](C)[C@H]1CCNC1=O ZINC000801936809 586280071 /nfs/dbraw/zinc/28/00/71/586280071.db2.gz XDQBAKIYUNRBFR-IUCAKERBSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H]1CCNC1=O ZINC000801936811 586280054 /nfs/dbraw/zinc/28/00/54/586280054.db2.gz XDQBAKIYUNRBFR-RKDXNWHRSA-N 1 0 211.265 -0.265 20 30 BBEDRO C[C@H](C#N)OCC[N@H+](C)[C@@]1(CO)CCOC1 ZINC000801939332 586280536 /nfs/dbraw/zinc/28/05/36/586280536.db2.gz RKQOBTGCYQDISG-GHMZBOCLSA-N 1 0 228.292 -0.002 20 30 BBEDRO C[C@H](C#N)OCC[N@H+](C)[C@]1(CO)CCOC1 ZINC000801939333 586280426 /nfs/dbraw/zinc/28/04/26/586280426.db2.gz RKQOBTGCYQDISG-MNOVXSKESA-N 1 0 228.292 -0.002 20 30 BBEDRO C[C@@H](C#N)OCC[N@H+](C)[C@]1(CO)CCOC1 ZINC000801939334 586280947 /nfs/dbraw/zinc/28/09/47/586280947.db2.gz RKQOBTGCYQDISG-QWRGUYRKSA-N 1 0 228.292 -0.002 20 30 BBEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@]1(CO)CCOC1 ZINC000801939335 586280656 /nfs/dbraw/zinc/28/06/56/586280656.db2.gz RKQOBTGCYQDISG-WDEREUQCSA-N 1 0 228.292 -0.002 20 30 BBEDRO C[C@H](C#N)OCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000801940371 584722992 /nfs/dbraw/zinc/72/29/92/584722992.db2.gz AKZKLIGYPWBVBW-NEPJUHHUSA-N 1 0 239.319 -0.069 20 30 BBEDRO C[C@@H](C#N)OCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000801940379 584723359 /nfs/dbraw/zinc/72/33/59/584723359.db2.gz AKZKLIGYPWBVBW-NWDGAFQWSA-N 1 0 239.319 -0.069 20 30 BBEDRO C[C@@H](C#N)OCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000801940381 584723190 /nfs/dbraw/zinc/72/31/90/584723190.db2.gz AKZKLIGYPWBVBW-RYUDHWBXSA-N 1 0 239.319 -0.069 20 30 BBEDRO C[C@H](C#N)OCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000801940385 584723214 /nfs/dbraw/zinc/72/32/14/584723214.db2.gz AKZKLIGYPWBVBW-VXGBXAGGSA-N 1 0 239.319 -0.069 20 30 BBEDRO C[C@H](O)C[N@H+](CCO[C@@H](C)C#N)[C@@H](C)CO ZINC000801946275 586281593 /nfs/dbraw/zinc/28/15/93/586281593.db2.gz HKKLVXCHUKIZGO-DCAQKATOSA-N 1 0 230.308 -0.021 20 30 BBEDRO C[C@H](C#N)OCC[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000801946276 586281318 /nfs/dbraw/zinc/28/13/18/586281318.db2.gz HKKLVXCHUKIZGO-GARJFASQSA-N 1 0 230.308 -0.021 20 30 BBEDRO C[C@H](C#N)OCC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000801946277 586281636 /nfs/dbraw/zinc/28/16/36/586281636.db2.gz HKKLVXCHUKIZGO-OUAUKWLOSA-N 1 0 230.308 -0.021 20 30 BBEDRO C[C@H](CO)[N@@H+](CCO[C@@H](C)C#N)C[C@H](C)O ZINC000801946278 586281810 /nfs/dbraw/zinc/28/18/10/586281810.db2.gz HKKLVXCHUKIZGO-VWYCJHECSA-N 1 0 230.308 -0.021 20 30 BBEDRO COCCCn1nccc1C=NNC(N)=[NH2+] ZINC000802707490 586309682 /nfs/dbraw/zinc/30/96/82/586309682.db2.gz ALDIGFTZCCDNIV-UHFFFAOYSA-N 1 0 224.268 -0.263 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCN(C)C1=O ZINC000804357443 586393127 /nfs/dbraw/zinc/39/31/27/586393127.db2.gz AVFYFFDNSYFMCC-JTQLQIEISA-N 1 0 239.319 -0.207 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000804357444 586392678 /nfs/dbraw/zinc/39/26/78/586392678.db2.gz AVFYFFDNSYFMCC-SNVBAGLBSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)CCC(N)=O ZINC000804743458 582546991 /nfs/dbraw/zinc/54/69/91/582546991.db2.gz HYTVRPZVIZMZNG-UHFFFAOYSA-N 1 0 213.281 -0.562 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CCC)C(N)=O ZINC000804808027 582562901 /nfs/dbraw/zinc/56/29/01/582562901.db2.gz LURQCVGBCPGUHK-VIFPVBQESA-N 1 0 227.308 -0.126 20 30 BBEDRO Cc1cc(NCCn2cnc(C#N)n2)nc(N)[nH+]1 ZINC000804818012 643378657 /nfs/dbraw/zinc/37/86/57/643378657.db2.gz KCCWOEWBWPUWAB-UHFFFAOYSA-N 1 0 244.262 -0.058 20 30 BBEDRO C[NH+](C)C1(C(=O)NCC(=O)NCC#N)CCC1 ZINC000804819588 582566404 /nfs/dbraw/zinc/56/64/04/582566404.db2.gz ABNUHZCRHIYRMS-UHFFFAOYSA-N 1 0 238.291 -0.773 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)NCc1cnn(C)n1 ZINC000805211319 585398238 /nfs/dbraw/zinc/39/82/38/585398238.db2.gz JLGRZSYAUJGRCM-NSHDSACASA-N 1 0 247.302 -0.471 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCc1cnn(C)n1 ZINC000805215801 585403104 /nfs/dbraw/zinc/40/31/04/585403104.db2.gz YWCXLXYVOMMHKJ-UHFFFAOYSA-N 1 0 223.280 -0.451 20 30 BBEDRO CCN1CCO[C@@H](C(=O)OCC#CCOC)C1 ZINC000805471230 585623939 /nfs/dbraw/zinc/62/39/39/585623939.db2.gz CZTIQVXKKMKPEE-LLVKDONJSA-N 1 0 241.287 -0.100 20 30 BBEDRO CCN1CCO[C@H](C(=O)OCC#CCOC)C1 ZINC000805471231 585623780 /nfs/dbraw/zinc/62/37/80/585623780.db2.gz CZTIQVXKKMKPEE-NSHDSACASA-N 1 0 241.287 -0.100 20 30 BBEDRO C#CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000806314494 586409576 /nfs/dbraw/zinc/40/95/76/586409576.db2.gz ZOTVOBIGXQZQGQ-UHFFFAOYSA-N 1 0 239.319 -0.282 20 30 BBEDRO C#CCCCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000806912839 644856282 /nfs/dbraw/zinc/85/62/82/644856282.db2.gz MPRUEARXJXJNFK-UHFFFAOYSA-N 1 0 239.319 -0.464 20 30 BBEDRO C#CCOCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000807104714 644858305 /nfs/dbraw/zinc/85/83/05/644858305.db2.gz KYOQIKVUALEYEP-JTQLQIEISA-N 1 0 227.308 -0.115 20 30 BBEDRO C#CCC(CC#C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000807250438 586428882 /nfs/dbraw/zinc/42/88/82/586428882.db2.gz CSUUMXVJECYFPD-AWEZNQCLSA-N 1 0 248.326 -0.168 20 30 BBEDRO C#CCC(CC#C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000807250439 586429090 /nfs/dbraw/zinc/42/90/90/586429090.db2.gz CSUUMXVJECYFPD-CQSZACIVSA-N 1 0 248.326 -0.168 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnccn2)N1 ZINC000807981473 586454605 /nfs/dbraw/zinc/45/46/05/586454605.db2.gz OAVHEXYTMXEZBK-SSDOTTSWSA-N 1 0 204.237 -0.252 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2cnccn2)N1 ZINC000807981476 586454582 /nfs/dbraw/zinc/45/45/82/586454582.db2.gz OAVHEXYTMXEZBK-ZETCQYMHSA-N 1 0 204.237 -0.252 20 30 BBEDRO C[NH+](C)C1CC(NC(=O)Cn2cnc(C#N)n2)C1 ZINC000808022279 586459614 /nfs/dbraw/zinc/45/96/14/586459614.db2.gz CPQWYZYGFSGUMK-UHFFFAOYSA-N 1 0 248.290 -0.641 20 30 BBEDRO C#CCCS(=O)(=O)NCC[N@H+](CC)CCO ZINC000808307283 586469698 /nfs/dbraw/zinc/46/96/98/586469698.db2.gz PIKIEPYXROYZSV-UHFFFAOYSA-N 1 0 248.348 -0.757 20 30 BBEDRO C#C[C@@H]([NH2+]CCN1CCNC1=O)[C@H]1CCCO1 ZINC000808748587 586487108 /nfs/dbraw/zinc/48/71/08/586487108.db2.gz VEIYYGNHFYMFOB-GHMZBOCLSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCCO1 ZINC000808748588 586487326 /nfs/dbraw/zinc/48/73/26/586487326.db2.gz VEIYYGNHFYMFOB-MNOVXSKESA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCCO1 ZINC000808748589 586487515 /nfs/dbraw/zinc/48/75/15/586487515.db2.gz VEIYYGNHFYMFOB-QWRGUYRKSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@H]([NH2+]CCN1CCNC1=O)[C@H]1CCCO1 ZINC000808748590 586487064 /nfs/dbraw/zinc/48/70/64/586487064.db2.gz VEIYYGNHFYMFOB-WDEREUQCSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@H]([NH2+]C[C@@](C)(O)C(=O)OC)[C@H]1CCCO1 ZINC000808748644 586487402 /nfs/dbraw/zinc/48/74/02/586487402.db2.gz WUYNFEHINMWDNX-HOSYDEDBSA-N 1 0 241.287 -0.319 20 30 BBEDRO C#C[C@H]([NH2+]C[C@@](C)(O)C(=O)OC)[C@@H]1CCCO1 ZINC000808748645 586487455 /nfs/dbraw/zinc/48/74/55/586487455.db2.gz WUYNFEHINMWDNX-JBLDHEPKSA-N 1 0 241.287 -0.319 20 30 BBEDRO C#C[C@H]([NH2+]C[C@](C)(O)C(=O)OC)[C@@H]1CCCO1 ZINC000808748646 586487250 /nfs/dbraw/zinc/48/72/50/586487250.db2.gz WUYNFEHINMWDNX-NHCYSSNCSA-N 1 0 241.287 -0.319 20 30 BBEDRO C#C[C@H]([NH2+]C[C@](C)(O)C(=O)OC)[C@H]1CCCO1 ZINC000808748647 586487486 /nfs/dbraw/zinc/48/74/86/586487486.db2.gz WUYNFEHINMWDNX-UMNHJUIQSA-N 1 0 241.287 -0.319 20 30 BBEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000808750713 586487866 /nfs/dbraw/zinc/48/78/66/586487866.db2.gz NTWAWSWOPWPCSK-GMTAPVOTSA-N 1 0 228.292 -0.410 20 30 BBEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808750714 586488257 /nfs/dbraw/zinc/48/82/57/586488257.db2.gz NTWAWSWOPWPCSK-MXWKQRLJSA-N 1 0 228.292 -0.410 20 30 BBEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808750715 586488507 /nfs/dbraw/zinc/48/85/07/586488507.db2.gz NTWAWSWOPWPCSK-OUAUKWLOSA-N 1 0 228.292 -0.410 20 30 BBEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000808750716 586487844 /nfs/dbraw/zinc/48/78/44/586487844.db2.gz NTWAWSWOPWPCSK-VWYCJHECSA-N 1 0 228.292 -0.410 20 30 BBEDRO COCC[NH+](CCOC)C[C@H](O)CC#N ZINC000809571482 586507023 /nfs/dbraw/zinc/50/70/23/586507023.db2.gz SVCKFXZPUVQZKZ-SNVBAGLBSA-N 1 0 216.281 -0.144 20 30 BBEDRO C[N@H+](CCN1CCOCC1)C[C@H](O)CC#N ZINC000809573901 644894334 /nfs/dbraw/zinc/89/43/34/644894334.db2.gz CDOOEWJISHSSPE-LLVKDONJSA-N 1 0 227.308 -0.475 20 30 BBEDRO C[N@H+](C[C@H](O)CC#N)C1(C(N)=O)CCCC1 ZINC000809576277 585219438 /nfs/dbraw/zinc/21/94/38/585219438.db2.gz KOQNEPLFLZRETA-SECBINFHSA-N 1 0 225.292 -0.009 20 30 BBEDRO C[N@H+](C[C@H](O)CC#N)CC(C)(CO)CO ZINC000809577410 586508153 /nfs/dbraw/zinc/50/81/53/586508153.db2.gz QCTBULWJSUYMBO-SECBINFHSA-N 1 0 216.281 -0.816 20 30 BBEDRO CON=CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000809626301 586510026 /nfs/dbraw/zinc/51/00/26/586510026.db2.gz HWJAQQCHIYRLAP-MRVPVSSYSA-N 1 0 211.265 -0.029 20 30 BBEDRO CON=CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000809626307 586509681 /nfs/dbraw/zinc/50/96/81/586509681.db2.gz HWJAQQCHIYRLAP-QMMMGPOBSA-N 1 0 211.265 -0.029 20 30 BBEDRO CON=CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000809643983 712584781 /nfs/dbraw/zinc/58/47/81/712584781.db2.gz MMSYMSYMBRBQBI-NXEZZACHSA-N 1 0 241.291 -0.402 20 30 BBEDRO CON=CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000809643984 712584893 /nfs/dbraw/zinc/58/48/93/712584893.db2.gz MMSYMSYMBRBQBI-UWVGGRQHSA-N 1 0 241.291 -0.402 20 30 BBEDRO CON=CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000809643985 712584787 /nfs/dbraw/zinc/58/47/87/712584787.db2.gz MMSYMSYMBRBQBI-VHSXEESVSA-N 1 0 241.291 -0.402 20 30 BBEDRO CON=CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000809643986 586510613 /nfs/dbraw/zinc/51/06/13/586510613.db2.gz MMSYMSYMBRBQBI-ZJUUUORDSA-N 1 0 241.291 -0.402 20 30 BBEDRO COCC[N@H+](C)CCNC(=O)C=NOC ZINC000809648454 586510608 /nfs/dbraw/zinc/51/06/08/586510608.db2.gz LSASTTSIIMPKMH-UHFFFAOYSA-N 1 0 217.269 -0.687 20 30 BBEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C=NOC ZINC000809663332 644894996 /nfs/dbraw/zinc/89/49/96/644894996.db2.gz SWRBTRYQPQVPQN-JTQLQIEISA-N 1 0 243.307 -0.154 20 30 BBEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C=NOC ZINC000809663336 586511102 /nfs/dbraw/zinc/51/11/02/586511102.db2.gz SWRBTRYQPQVPQN-SNVBAGLBSA-N 1 0 243.307 -0.154 20 30 BBEDRO COCC[N@@H+]1CCC[C@H](NC(=O)C=NOC)C1 ZINC000809667351 586511442 /nfs/dbraw/zinc/51/14/42/586511442.db2.gz IGLVYCMZJCAPJS-JTQLQIEISA-N 1 0 243.307 -0.154 20 30 BBEDRO COCC[N@@H+]1CCC[C@@H](NC(=O)C=NOC)C1 ZINC000809667352 586511649 /nfs/dbraw/zinc/51/16/49/586511649.db2.gz IGLVYCMZJCAPJS-SNVBAGLBSA-N 1 0 243.307 -0.154 20 30 BBEDRO CON=CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000809667868 586511438 /nfs/dbraw/zinc/51/14/38/586511438.db2.gz BNZOYFHQEYTYBP-UHFFFAOYSA-N 1 0 243.307 -0.466 20 30 BBEDRO COCC[N@@H+]1CC[C@@H](NC(=O)C=NOC)C1 ZINC000809671882 586511591 /nfs/dbraw/zinc/51/15/91/586511591.db2.gz DFKDNRZTCDEWLK-SECBINFHSA-N 1 0 229.280 -0.545 20 30 BBEDRO COCC[N@@H+]1CC[C@H](NC(=O)C=NOC)C1 ZINC000809671883 586511448 /nfs/dbraw/zinc/51/14/48/586511448.db2.gz DFKDNRZTCDEWLK-VIFPVBQESA-N 1 0 229.280 -0.545 20 30 BBEDRO COCC[N@@H+]1CCCN(C(=O)C=NOC)CC1 ZINC000809691499 586512928 /nfs/dbraw/zinc/51/29/28/586512928.db2.gz IIHITWGCWXAUFO-UHFFFAOYSA-N 1 0 243.307 -0.201 20 30 BBEDRO CON=CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000809695562 586513185 /nfs/dbraw/zinc/51/31/85/586513185.db2.gz OUAFKKLNQCVAGH-UHFFFAOYSA-N 1 0 229.280 -0.809 20 30 BBEDRO CON=CC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000809711297 586514429 /nfs/dbraw/zinc/51/44/29/586514429.db2.gz SIANMRIGDMJHNG-UHFFFAOYSA-N 1 0 243.307 -0.154 20 30 BBEDRO CON=CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000809713468 586514135 /nfs/dbraw/zinc/51/41/35/586514135.db2.gz HVQZSNIEFCRCLQ-UHFFFAOYSA-N 1 0 243.307 -0.418 20 30 BBEDRO CC[C@@H](CO)[NH+]1CCN(C(=O)C=NOC)CC1 ZINC000809737566 586516203 /nfs/dbraw/zinc/51/62/03/586516203.db2.gz HUSZNJDUXZFZNV-JTQLQIEISA-N 1 0 243.307 -0.466 20 30 BBEDRO CC[C@H](CO)[NH+]1CCN(C(=O)C=NOC)CC1 ZINC000809737567 586515796 /nfs/dbraw/zinc/51/57/96/586515796.db2.gz HUSZNJDUXZFZNV-SNVBAGLBSA-N 1 0 243.307 -0.466 20 30 BBEDRO CON=CC(=O)NCCOCC[NH+](C)C ZINC000809749226 586517123 /nfs/dbraw/zinc/51/71/23/586517123.db2.gz FASZQXRRKOOTTR-UHFFFAOYSA-N 1 0 217.269 -0.687 20 30 BBEDRO CON=CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000809792983 586520611 /nfs/dbraw/zinc/52/06/11/586520611.db2.gz MQFZSURPJUPAEF-UHFFFAOYSA-N 1 0 229.280 -0.543 20 30 BBEDRO CC[NH+]1CCN(CCNC(=O)C=NOC)CC1 ZINC000809800460 586521190 /nfs/dbraw/zinc/52/11/90/586521190.db2.gz QJNDANZGGJGPGD-UHFFFAOYSA-N 1 0 242.323 -0.628 20 30 BBEDRO CON=CC(=O)NCCC[N@H+](C)CCN(C)C ZINC000811542550 586561008 /nfs/dbraw/zinc/56/10/08/586561008.db2.gz BAAOYZUCJVMGDU-UHFFFAOYSA-N 1 0 244.339 -0.382 20 30 BBEDRO NC(=[NH2+])NN=Cc1ccc(S(N)(=O)=O)cc1 ZINC000811638064 586562349 /nfs/dbraw/zinc/56/23/49/586562349.db2.gz FRBHGNKODDNDPK-UHFFFAOYSA-N 1 0 241.276 -0.849 20 30 BBEDRO CN(C)c1ncc(C=NNC(N)=[NH2+])n1C ZINC000811638074 586562261 /nfs/dbraw/zinc/56/22/61/586562261.db2.gz GDTRYTYOSCTQFU-UHFFFAOYSA-N 1 0 209.257 -0.697 20 30 BBEDRO C[C@H](CO)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811644135 586562468 /nfs/dbraw/zinc/56/24/68/586562468.db2.gz QXHZMOJSKFYBKV-MRVPVSSYSA-N 1 0 225.296 -0.210 20 30 BBEDRO C[C@@H](CO)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811644139 586562640 /nfs/dbraw/zinc/56/26/40/586562640.db2.gz QXHZMOJSKFYBKV-QMMMGPOBSA-N 1 0 225.296 -0.210 20 30 BBEDRO CN(C)c1ncc(C=[NH+]OCC(N)=O)n1C ZINC000811646891 586562533 /nfs/dbraw/zinc/56/25/33/586562533.db2.gz PSCDZILEKBJSIY-UHFFFAOYSA-N 1 0 225.252 -0.678 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnc(N(C)C)n2C)N1 ZINC000811647087 586562600 /nfs/dbraw/zinc/56/26/00/586562600.db2.gz XBNDCQQWOHBRRB-MRVPVSSYSA-N 1 0 249.322 -0.243 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2cnc(N(C)C)n2C)N1 ZINC000811647088 586562669 /nfs/dbraw/zinc/56/26/69/586562669.db2.gz XBNDCQQWOHBRRB-QMMMGPOBSA-N 1 0 249.322 -0.243 20 30 BBEDRO CC(C[C@@H]1CCC(=O)N1)=NNC1=[NH+][C@H](C)CN1 ZINC000811647110 586562558 /nfs/dbraw/zinc/56/25/58/586562558.db2.gz XXMTVIDSQZZCTA-BDAKNGLRSA-N 1 0 237.307 -0.032 20 30 BBEDRO CC(C[C@H]1CCC(=O)N1)=NNC1=[NH+][C@@H](C)CN1 ZINC000811647111 586562604 /nfs/dbraw/zinc/56/26/04/586562604.db2.gz XXMTVIDSQZZCTA-DTWKUNHWSA-N 1 0 237.307 -0.032 20 30 BBEDRO CC(C[C@@H]1CCC(=O)N1)=NNC1=[NH+][C@@H](C)CN1 ZINC000811647112 586562483 /nfs/dbraw/zinc/56/24/83/586562483.db2.gz XXMTVIDSQZZCTA-IUCAKERBSA-N 1 0 237.307 -0.032 20 30 BBEDRO CC(C[C@H]1CCC(=O)N1)=NNC1=[NH+][C@H](C)CN1 ZINC000811647113 586562635 /nfs/dbraw/zinc/56/26/35/586562635.db2.gz XXMTVIDSQZZCTA-RKDXNWHRSA-N 1 0 237.307 -0.032 20 30 BBEDRO C#C[C@H](C)NC(=O)NCCOCC[NH+](C)C ZINC000812203504 644920614 /nfs/dbraw/zinc/92/06/14/644920614.db2.gz CULIRLIQFBTMRK-JTQLQIEISA-N 1 0 227.308 -0.115 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCCOCC[NH+](C)C ZINC000812203505 644920883 /nfs/dbraw/zinc/92/08/83/644920883.db2.gz CULIRLIQFBTMRK-SNVBAGLBSA-N 1 0 227.308 -0.115 20 30 BBEDRO COCCC(COC)=NNC1=[NH+][C@H](C)CN1 ZINC000812227691 586570772 /nfs/dbraw/zinc/57/07/72/586570772.db2.gz NHMIQNBWUJBJBN-MRVPVSSYSA-N 1 0 228.296 -0.037 20 30 BBEDRO COCCC(COC)=NNC1=[NH+][C@@H](C)CN1 ZINC000812227692 586570870 /nfs/dbraw/zinc/57/08/70/586570870.db2.gz NHMIQNBWUJBJBN-QMMMGPOBSA-N 1 0 228.296 -0.037 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)Nc1cn(C)nn1 ZINC000812703971 586583141 /nfs/dbraw/zinc/58/31/41/586583141.db2.gz DUICEUHZIKQNRG-VIFPVBQESA-N 1 0 233.275 -0.149 20 30 BBEDRO C#CCC[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000812840885 586587732 /nfs/dbraw/zinc/58/77/32/586587732.db2.gz LFOVQBDGQCQUPM-UHFFFAOYSA-N 1 0 245.348 -0.472 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CF)C(=O)OC ZINC000813692571 586605349 /nfs/dbraw/zinc/60/53/49/586605349.db2.gz ZHUYBSFZJYXBTA-MRVPVSSYSA-N 1 0 232.255 -0.269 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CF)C(=O)OC ZINC000813692576 586605434 /nfs/dbraw/zinc/60/54/34/586605434.db2.gz ZHUYBSFZJYXBTA-QMMMGPOBSA-N 1 0 232.255 -0.269 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000813841598 586607847 /nfs/dbraw/zinc/60/78/47/586607847.db2.gz QHNQZMQHGBDQKZ-JTQLQIEISA-N 1 0 239.319 -0.172 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](CC(N)=O)C1 ZINC000813841599 586607829 /nfs/dbraw/zinc/60/78/29/586607829.db2.gz QHNQZMQHGBDQKZ-SNVBAGLBSA-N 1 0 239.319 -0.172 20 30 BBEDRO C#CC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000813854466 586608101 /nfs/dbraw/zinc/60/81/01/586608101.db2.gz CTIHUKUQLYKGBC-UHFFFAOYSA-N 1 0 211.309 -0.381 20 30 BBEDRO C#CC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000813854753 586608168 /nfs/dbraw/zinc/60/81/68/586608168.db2.gz HOEPCAGZZAYFLW-UHFFFAOYSA-N 1 0 225.336 -0.039 20 30 BBEDRO NC(=[NH2+])NN=Cc1cnn(CC(F)F)c1 ZINC000814217399 586618030 /nfs/dbraw/zinc/61/80/30/586618030.db2.gz FOHVAPPJLCUGME-UHFFFAOYSA-N 1 0 216.195 -0.035 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2cn(C)[nH]c2=O)N1 ZINC000814225936 586618234 /nfs/dbraw/zinc/61/82/34/586618234.db2.gz MJWZUMILEISGSD-LURJTMIESA-N 1 0 222.252 -0.603 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2cn(C)[nH]c2=O)N1 ZINC000814225939 586618043 /nfs/dbraw/zinc/61/80/43/586618043.db2.gz MJWZUMILEISGSD-ZCFIWIBFSA-N 1 0 222.252 -0.603 20 30 BBEDRO CC(C)(O)C[NH+]1CCC(=NOCC(N)=O)CC1 ZINC000814226303 586618520 /nfs/dbraw/zinc/61/85/20/586618520.db2.gz UJHNCUBDISLENS-UHFFFAOYSA-N 1 0 243.307 -0.289 20 30 BBEDRO CC(C)(O)C[NH+]1CCC(=NNCC(N)=O)CC1 ZINC000814227390 586618463 /nfs/dbraw/zinc/61/84/63/586618463.db2.gz UXQHSYOPPCUYEB-UHFFFAOYSA-N 1 0 242.323 -0.716 20 30 BBEDRO CCn1ncn(N=Cc2nc[nH]c2C)c1=O ZINC000814235459 586619219 /nfs/dbraw/zinc/61/92/19/586619219.db2.gz LDGKGGLSZRHDFG-UHFFFAOYSA-N 1 0 220.236 -0.022 20 30 BBEDRO Cc1nn(C)c(N)c1C=[NH+]N1CCN(C)CC1 ZINC000814685679 644944157 /nfs/dbraw/zinc/94/41/57/644944157.db2.gz OHPIBWLVKYILAJ-UHFFFAOYSA-N 1 0 236.323 -0.108 20 30 BBEDRO COC(=O)c1ccc(C=NNC(N)=[NH2+])n1C ZINC000814796599 586634379 /nfs/dbraw/zinc/63/43/79/586634379.db2.gz HYPFVNKLTCKAAY-UHFFFAOYSA-N 1 0 223.236 -0.371 20 30 BBEDRO NC(=[NH2+])NN=Cc1cc(CO)ccc1O ZINC000814796791 586634457 /nfs/dbraw/zinc/63/44/57/586634457.db2.gz PTAGEXDOIOXDRY-UHFFFAOYSA-N 1 0 208.221 -0.299 20 30 BBEDRO CN(C)c1ncc(C=NNC(N)=[NH2+])cn1 ZINC000814796847 586634965 /nfs/dbraw/zinc/63/49/65/586634965.db2.gz SGHOJNDHNZQLLJ-UHFFFAOYSA-N 1 0 207.241 -0.640 20 30 BBEDRO COC(=O)c1cc(C=NNC(N)=[NH2+])on1 ZINC000814796944 586634874 /nfs/dbraw/zinc/63/48/74/586634874.db2.gz XQEGCCWHGQPQRS-UHFFFAOYSA-N 1 0 211.181 -0.722 20 30 BBEDRO C[C@H](CO)NN=Cc1cnc(N(C)C)nc1 ZINC000814865222 586640223 /nfs/dbraw/zinc/64/02/23/586640223.db2.gz RVWAHTBBINWVNH-MRVPVSSYSA-N 1 0 223.280 -0.153 20 30 BBEDRO C[C@@H](CO)NN=Cc1cnc(N(C)C)nc1 ZINC000814865224 586640091 /nfs/dbraw/zinc/64/00/91/586640091.db2.gz RVWAHTBBINWVNH-QMMMGPOBSA-N 1 0 223.280 -0.153 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnc(N(C)C)nc2)N1 ZINC000814896938 586645267 /nfs/dbraw/zinc/64/52/67/586645267.db2.gz BBJONABQDJFMNL-MRVPVSSYSA-N 1 0 247.306 -0.186 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2cnc(N(C)C)nc2)N1 ZINC000814896939 586644999 /nfs/dbraw/zinc/64/49/99/586644999.db2.gz BBJONABQDJFMNL-QMMMGPOBSA-N 1 0 247.306 -0.186 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccn(C)n2)N1 ZINC000814897004 586645262 /nfs/dbraw/zinc/64/52/62/586645262.db2.gz COGPOLHPUROJRX-SSDOTTSWSA-N 1 0 206.253 -0.309 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2ccn(C)n2)N1 ZINC000814897010 586644994 /nfs/dbraw/zinc/64/49/94/586644994.db2.gz COGPOLHPUROJRX-ZETCQYMHSA-N 1 0 206.253 -0.309 20 30 BBEDRO C[C@@H]1C[NH+]=C(NN=Cc2cncnc2)N1 ZINC000814897094 585016787 /nfs/dbraw/zinc/01/67/87/585016787.db2.gz DAPJFJRXHMMYFS-SSDOTTSWSA-N 1 0 204.237 -0.252 20 30 BBEDRO C[C@H]1C[NH+]=C(NN=Cc2cncnc2)N1 ZINC000814897099 585016732 /nfs/dbraw/zinc/01/67/32/585016732.db2.gz DAPJFJRXHMMYFS-ZETCQYMHSA-N 1 0 204.237 -0.252 20 30 BBEDRO Cc1c[nH]nc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000814897370 586645703 /nfs/dbraw/zinc/64/57/03/586645703.db2.gz IWIPEKMNWYUDIG-SSDOTTSWSA-N 1 0 206.253 -0.011 20 30 BBEDRO Cc1c[nH]nc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000814897371 586645503 /nfs/dbraw/zinc/64/55/03/586645503.db2.gz IWIPEKMNWYUDIG-ZETCQYMHSA-N 1 0 206.253 -0.011 20 30 BBEDRO C[C@@H]1CNC(NN=C2COCCOC2)=[NH+]1 ZINC000814897498 585018700 /nfs/dbraw/zinc/01/87/00/585018700.db2.gz KGJAYLKAIMNYEH-SSDOTTSWSA-N 1 0 212.253 -0.674 20 30 BBEDRO C[C@H]1CNC(NN=C2COCCOC2)=[NH+]1 ZINC000814897499 585018743 /nfs/dbraw/zinc/01/87/43/585018743.db2.gz KGJAYLKAIMNYEH-ZETCQYMHSA-N 1 0 212.253 -0.674 20 30 BBEDRO CC(N=NCC(N)=O)C1CC[NH+](C)CC1 ZINC000814903814 586647273 /nfs/dbraw/zinc/64/72/73/586647273.db2.gz BVKZGKGGOQLFDU-UHFFFAOYSA-N 1 0 212.297 -0.221 20 30 BBEDRO NC(=O)CNN=C1CCCc2nc(N)ncc21 ZINC000814904122 586647098 /nfs/dbraw/zinc/64/70/98/586647098.db2.gz SJVOSYWPKXUHTH-UHFFFAOYSA-N 1 0 234.263 -0.826 20 30 BBEDRO CN(C)c1ncc(C=[NH+]NCCO)n1C ZINC000814943921 586657414 /nfs/dbraw/zinc/65/74/14/586657414.db2.gz XXQVACWBKOIGKJ-UHFFFAOYSA-N 1 0 211.269 -0.598 20 30 BBEDRO C[C@@H](O)CN[NH+]=Cc1cnc(N(C)C)n1C ZINC000814966602 586662107 /nfs/dbraw/zinc/66/21/07/586662107.db2.gz OMXJFUHSGLIKPE-MRVPVSSYSA-N 1 0 225.296 -0.210 20 30 BBEDRO C[C@H](O)CN[NH+]=Cc1cnc(N(C)C)n1C ZINC000814966603 586661981 /nfs/dbraw/zinc/66/19/81/586661981.db2.gz OMXJFUHSGLIKPE-QMMMGPOBSA-N 1 0 225.296 -0.210 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)CC(=O)NCC ZINC000815021052 586664780 /nfs/dbraw/zinc/66/47/80/586664780.db2.gz KJAKRBIFBYDHKJ-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CC)CC(=O)NC ZINC000815022381 586664349 /nfs/dbraw/zinc/66/43/49/586664349.db2.gz XGZFHZZQMZFFMC-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](CCCO)C1CC1 ZINC000815051539 586665025 /nfs/dbraw/zinc/66/50/25/586665025.db2.gz QSVCBPSMETZQHF-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](CO)C1 ZINC000815052737 644949490 /nfs/dbraw/zinc/94/94/90/644949490.db2.gz YTPATPRMAISXFC-JTQLQIEISA-N 1 0 210.277 -0.560 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](CO)C1 ZINC000815052738 644949042 /nfs/dbraw/zinc/94/90/42/644949042.db2.gz YTPATPRMAISXFC-SNVBAGLBSA-N 1 0 210.277 -0.560 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000815055963 644949876 /nfs/dbraw/zinc/94/98/76/644949876.db2.gz VRIODRHCTUESDL-PHIMTYICSA-N 1 0 222.288 -0.011 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](OC)C1 ZINC000815058098 644949655 /nfs/dbraw/zinc/94/96/55/644949655.db2.gz NGVOAOQBSIZYID-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000815061011 644949979 /nfs/dbraw/zinc/94/99/79/644949979.db2.gz YCVICBMUPHFNLQ-LLVKDONJSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H](O)C1CC1 ZINC000815061012 644949633 /nfs/dbraw/zinc/94/96/33/644949633.db2.gz YCVICBMUPHFNLQ-NSHDSACASA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCC2(C1)OCCO2 ZINC000815069802 586665293 /nfs/dbraw/zinc/66/52/93/586665293.db2.gz XZNDOWXKJJHMEX-UHFFFAOYSA-N 1 0 238.287 -0.425 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C1(C(N)=O)CCCC1 ZINC000815071769 586665420 /nfs/dbraw/zinc/66/54/20/586665420.db2.gz UBUDOABLXIFJKD-UHFFFAOYSA-N 1 0 237.303 -0.486 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)Cc1cn[nH]c1 ZINC000815072356 586665489 /nfs/dbraw/zinc/66/54/89/586665489.db2.gz JWAIHVGOVIHUOF-UHFFFAOYSA-N 1 0 220.276 -0.019 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000815074643 586665264 /nfs/dbraw/zinc/66/52/64/586665264.db2.gz ZYZZZMIDYAVWRA-UHFFFAOYSA-N 1 0 232.287 -0.093 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000815078680 644951328 /nfs/dbraw/zinc/95/13/28/644951328.db2.gz FHWKAHCNTZIGKV-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000815078681 644950702 /nfs/dbraw/zinc/95/07/02/644950702.db2.gz FHWKAHCNTZIGKV-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000815078876 586665482 /nfs/dbraw/zinc/66/54/82/586665482.db2.gz JDNDAGJIENLTPU-JTQLQIEISA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCNC(=O)C[C@H]1C ZINC000815078881 586665228 /nfs/dbraw/zinc/66/52/28/586665228.db2.gz JDNDAGJIENLTPU-SNVBAGLBSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000815081163 586665725 /nfs/dbraw/zinc/66/57/25/586665725.db2.gz UEMUMMNWOMKBTR-NXEZZACHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000815081164 586665774 /nfs/dbraw/zinc/66/57/74/586665774.db2.gz UEMUMMNWOMKBTR-UWVGGRQHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000815081165 586665949 /nfs/dbraw/zinc/66/59/49/586665949.db2.gz UEMUMMNWOMKBTR-VHSXEESVSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000815081166 586666087 /nfs/dbraw/zinc/66/60/87/586666087.db2.gz UEMUMMNWOMKBTR-ZJUUUORDSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C#C)[C@@H]1CCCO1 ZINC000815093389 586665751 /nfs/dbraw/zinc/66/57/51/586665751.db2.gz JEZFDHARIWUDIM-NEPJUHHUSA-N 1 0 234.299 -0.104 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C#C)[C@H]1CCCO1 ZINC000815093390 586666156 /nfs/dbraw/zinc/66/61/56/586666156.db2.gz JEZFDHARIWUDIM-NWDGAFQWSA-N 1 0 234.299 -0.104 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C#C)[C@@H]1CCCO1 ZINC000815093391 586666106 /nfs/dbraw/zinc/66/61/06/586666106.db2.gz JEZFDHARIWUDIM-RYUDHWBXSA-N 1 0 234.299 -0.104 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C#C)[C@H]1CCCO1 ZINC000815093392 586665913 /nfs/dbraw/zinc/66/59/13/586665913.db2.gz JEZFDHARIWUDIM-VXGBXAGGSA-N 1 0 234.299 -0.104 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000815096223 586666409 /nfs/dbraw/zinc/66/64/09/586666409.db2.gz YZZXWDWITOTPLS-LLVKDONJSA-N 1 0 247.302 -0.336 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000815096225 586666492 /nfs/dbraw/zinc/66/64/92/586666492.db2.gz YZZXWDWITOTPLS-NSHDSACASA-N 1 0 247.302 -0.336 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000815100087 586666453 /nfs/dbraw/zinc/66/64/53/586666453.db2.gz QCRLYRPQYLHTTL-CMPLNLGQSA-N 1 0 222.288 -0.560 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000815100090 586666526 /nfs/dbraw/zinc/66/65/26/586666526.db2.gz QCRLYRPQYLHTTL-PWSUYJOCSA-N 1 0 222.288 -0.560 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CC(O)(C(C)C)C1 ZINC000815103595 586666751 /nfs/dbraw/zinc/66/67/51/586666751.db2.gz VBMVGGZCZKACNK-UHFFFAOYSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@](F)(CO)C1 ZINC000815111852 586667119 /nfs/dbraw/zinc/66/71/19/586667119.db2.gz RZKGCZGBNHZITN-LLVKDONJSA-N 1 0 228.267 -0.468 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@](F)(CO)C1 ZINC000815111855 586667073 /nfs/dbraw/zinc/66/70/73/586667073.db2.gz RZKGCZGBNHZITN-NSHDSACASA-N 1 0 228.267 -0.468 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000815120901 586667427 /nfs/dbraw/zinc/66/74/27/586667427.db2.gz OXMAQCXLMONRQW-NEPJUHHUSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000815120902 586667032 /nfs/dbraw/zinc/66/70/32/586667032.db2.gz OXMAQCXLMONRQW-NWDGAFQWSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000815120903 586667054 /nfs/dbraw/zinc/66/70/54/586667054.db2.gz OXMAQCXLMONRQW-RYUDHWBXSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000815120904 586667446 /nfs/dbraw/zinc/66/74/46/586667446.db2.gz OXMAQCXLMONRQW-VXGBXAGGSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](C(=O)NCC)C(C)C ZINC000815131444 586669127 /nfs/dbraw/zinc/66/91/27/586669127.db2.gz DFDUHSXGUYVNIR-NSHDSACASA-N 1 0 239.319 -0.514 20 30 BBEDRO CC[N@H+](CC(=O)NCCC#N)[C@@H](C)CO ZINC000815183358 586673123 /nfs/dbraw/zinc/67/31/23/586673123.db2.gz UPEDXGLFMDIBHZ-VIFPVBQESA-N 1 0 213.281 -0.281 20 30 BBEDRO CON=CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000816354294 586718108 /nfs/dbraw/zinc/71/81/08/586718108.db2.gz FCEMVUHHRMVFCL-UHFFFAOYSA-N 1 0 211.265 -0.217 20 30 BBEDRO CON=CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000816359643 586720213 /nfs/dbraw/zinc/72/02/13/586720213.db2.gz COJIWAMQMIFCMK-LLVKDONJSA-N 1 0 243.307 -0.466 20 30 BBEDRO CON=CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000816359644 586720357 /nfs/dbraw/zinc/72/03/57/586720357.db2.gz COJIWAMQMIFCMK-NSHDSACASA-N 1 0 243.307 -0.466 20 30 BBEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C=NOC ZINC000816487563 586736158 /nfs/dbraw/zinc/73/61/58/586736158.db2.gz REIUMXOGIMAVJC-JTQLQIEISA-N 1 0 245.323 -0.172 20 30 BBEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)C=NOC ZINC000816487564 586735895 /nfs/dbraw/zinc/73/58/95/586735895.db2.gz REIUMXOGIMAVJC-SNVBAGLBSA-N 1 0 245.323 -0.172 20 30 BBEDRO CON=CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000816530782 586739164 /nfs/dbraw/zinc/73/91/64/586739164.db2.gz UMLMECDVGQQIJL-JTQLQIEISA-N 1 0 240.307 -0.875 20 30 BBEDRO CON=CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000816530783 586739004 /nfs/dbraw/zinc/73/90/04/586739004.db2.gz UMLMECDVGQQIJL-SNVBAGLBSA-N 1 0 240.307 -0.875 20 30 BBEDRO CON=CC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000816567145 644963904 /nfs/dbraw/zinc/96/39/04/644963904.db2.gz RQZHPDOGAOWTHQ-JTQLQIEISA-N 1 0 243.307 -0.418 20 30 BBEDRO CON=CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000816567146 644963700 /nfs/dbraw/zinc/96/37/00/644963700.db2.gz RQZHPDOGAOWTHQ-SNVBAGLBSA-N 1 0 243.307 -0.418 20 30 BBEDRO C#CCCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000816619187 586745495 /nfs/dbraw/zinc/74/54/95/586745495.db2.gz WLESYLFSMBPPCI-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000816619188 586745312 /nfs/dbraw/zinc/74/53/12/586745312.db2.gz WLESYLFSMBPPCI-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO CON=CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000816624944 586746287 /nfs/dbraw/zinc/74/62/87/586746287.db2.gz MJAQSGQIDBRHHG-SECBINFHSA-N 1 0 229.280 -0.809 20 30 BBEDRO CON=CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000816624945 586745908 /nfs/dbraw/zinc/74/59/08/586745908.db2.gz MJAQSGQIDBRHHG-VIFPVBQESA-N 1 0 229.280 -0.809 20 30 BBEDRO CON=CC(=O)N1CCc2[nH]cnc2C1 ZINC000816651323 586752971 /nfs/dbraw/zinc/75/29/71/586752971.db2.gz CTPLFBLQDLLBBH-UHFFFAOYSA-N 1 0 208.221 -0.073 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C[NH+](CC)CC ZINC000816674989 586754652 /nfs/dbraw/zinc/75/46/52/586754652.db2.gz PSRRKFZTWQVTOK-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C[NH+](CC)CC ZINC000816674990 586754381 /nfs/dbraw/zinc/75/43/81/586754381.db2.gz PSRRKFZTWQVTOK-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000816675223 586754619 /nfs/dbraw/zinc/75/46/19/586754619.db2.gz WAKOYTXEKMERIB-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000816675224 586754646 /nfs/dbraw/zinc/75/46/46/586754646.db2.gz WAKOYTXEKMERIB-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C1CC[NH+](CC#C)CC1 ZINC000816675409 586754526 /nfs/dbraw/zinc/75/45/26/586754526.db2.gz ZWSAQNHRALMZJS-CYBMUJFWSA-N 1 0 248.326 -0.168 20 30 BBEDRO CC[N@H+](CC(=O)N[C@@H]1CCN(O)C1=O)C1CC1 ZINC000816695958 586757307 /nfs/dbraw/zinc/75/73/07/586757307.db2.gz OCYXKXMLUALVPV-SECBINFHSA-N 1 0 241.291 -0.423 20 30 BBEDRO CC[N@H+](CC(=O)N[C@H]1CCN(O)C1=O)C1CC1 ZINC000816695959 586756950 /nfs/dbraw/zinc/75/69/50/586756950.db2.gz OCYXKXMLUALVPV-VIFPVBQESA-N 1 0 241.291 -0.423 20 30 BBEDRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(O)C1=O ZINC000816697208 586757968 /nfs/dbraw/zinc/75/79/68/586757968.db2.gz UMSQOSRHSWQWOH-MRVPVSSYSA-N 1 0 229.280 -0.566 20 30 BBEDRO CC[NH+](CC)CC(=O)N[C@H]1CCN(O)C1=O ZINC000816697209 586757593 /nfs/dbraw/zinc/75/75/93/586757593.db2.gz UMSQOSRHSWQWOH-QMMMGPOBSA-N 1 0 229.280 -0.566 20 30 BBEDRO CON=CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000816720288 586760252 /nfs/dbraw/zinc/76/02/52/586760252.db2.gz AZGPCUOVUSOWRK-MRVPVSSYSA-N 1 0 201.270 -0.068 20 30 BBEDRO CON=CC(=O)NC[C@H](C)C[NH+](C)C ZINC000816720289 586760522 /nfs/dbraw/zinc/76/05/22/586760522.db2.gz AZGPCUOVUSOWRK-QMMMGPOBSA-N 1 0 201.270 -0.068 20 30 BBEDRO CC[NH+](CC)CC(=O)N[C@@H]1CCCN(O)C1=O ZINC000816759010 586762640 /nfs/dbraw/zinc/76/26/40/586762640.db2.gz CFGUJJHIRWOYIY-SECBINFHSA-N 1 0 243.307 -0.175 20 30 BBEDRO CC[NH+](CC)CC(=O)N[C@H]1CCCN(O)C1=O ZINC000816759011 586763150 /nfs/dbraw/zinc/76/31/50/586763150.db2.gz CFGUJJHIRWOYIY-VIFPVBQESA-N 1 0 243.307 -0.175 20 30 BBEDRO C=C(CO)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000816831768 586766714 /nfs/dbraw/zinc/76/67/14/586766714.db2.gz GFNMDDQBHKJRTM-MRVPVSSYSA-N 1 0 200.282 -0.151 20 30 BBEDRO C=C(CO)C(=O)NC[C@H](C)C[NH+](C)C ZINC000816831769 586767065 /nfs/dbraw/zinc/76/70/65/586767065.db2.gz GFNMDDQBHKJRTM-QMMMGPOBSA-N 1 0 200.282 -0.151 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000816858783 586768580 /nfs/dbraw/zinc/76/85/80/586768580.db2.gz BJZJTNXQOPJQCF-URLYPYJESA-N 1 0 224.304 -0.199 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC1COCCOC1 ZINC000816919623 586771360 /nfs/dbraw/zinc/77/13/60/586771360.db2.gz QMMLILWPOIYSLM-UHFFFAOYSA-N 1 0 228.292 -0.364 20 30 BBEDRO C=C(CO)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000816949217 586773366 /nfs/dbraw/zinc/77/33/66/586773366.db2.gz QSYAGEBIJTWUSE-NXEZZACHSA-N 1 0 210.277 -0.303 20 30 BBEDRO C=C(CO)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000816949218 586773575 /nfs/dbraw/zinc/77/35/75/586773575.db2.gz QSYAGEBIJTWUSE-UWVGGRQHSA-N 1 0 210.277 -0.303 20 30 BBEDRO C=C(CO)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000816949219 586773870 /nfs/dbraw/zinc/77/38/70/586773870.db2.gz QSYAGEBIJTWUSE-VHSXEESVSA-N 1 0 210.277 -0.303 20 30 BBEDRO C=C(CO)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000816949220 586773628 /nfs/dbraw/zinc/77/36/28/586773628.db2.gz QSYAGEBIJTWUSE-ZJUUUORDSA-N 1 0 210.277 -0.303 20 30 BBEDRO CON=CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000816953141 586773735 /nfs/dbraw/zinc/77/37/35/586773735.db2.gz ZWQKANRZHXULGP-BDAKNGLRSA-N 1 0 211.265 -0.219 20 30 BBEDRO CON=CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000816953142 586773763 /nfs/dbraw/zinc/77/37/63/586773763.db2.gz ZWQKANRZHXULGP-DTWKUNHWSA-N 1 0 211.265 -0.219 20 30 BBEDRO CON=CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000816953143 586773419 /nfs/dbraw/zinc/77/34/19/586773419.db2.gz ZWQKANRZHXULGP-IUCAKERBSA-N 1 0 211.265 -0.219 20 30 BBEDRO CON=CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000816953144 586773890 /nfs/dbraw/zinc/77/38/90/586773890.db2.gz ZWQKANRZHXULGP-RKDXNWHRSA-N 1 0 211.265 -0.219 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000816966987 586775236 /nfs/dbraw/zinc/77/52/36/586775236.db2.gz RWDRSVRYYWOGFN-NXEZZACHSA-N 1 0 212.293 -0.057 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000816966988 586774927 /nfs/dbraw/zinc/77/49/27/586774927.db2.gz RWDRSVRYYWOGFN-UWVGGRQHSA-N 1 0 212.293 -0.057 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000816966989 586775164 /nfs/dbraw/zinc/77/51/64/586775164.db2.gz RWDRSVRYYWOGFN-VHSXEESVSA-N 1 0 212.293 -0.057 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000816966990 586774888 /nfs/dbraw/zinc/77/48/88/586774888.db2.gz RWDRSVRYYWOGFN-ZJUUUORDSA-N 1 0 212.293 -0.057 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000816974500 586775712 /nfs/dbraw/zinc/77/57/12/586775712.db2.gz DYHQQJONYNBWLJ-LLVKDONJSA-N 1 0 241.335 -0.713 20 30 BBEDRO C=C[C@H](O)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000816974501 586775347 /nfs/dbraw/zinc/77/53/47/586775347.db2.gz DYHQQJONYNBWLJ-NSHDSACASA-N 1 0 241.335 -0.713 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)CC ZINC000817012377 586778775 /nfs/dbraw/zinc/77/87/75/586778775.db2.gz NIHIZCBINSEASC-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C(=O)NC ZINC000817055418 644967321 /nfs/dbraw/zinc/96/73/21/644967321.db2.gz FWEFMOCGGJZILT-QMMMGPOBSA-N 1 0 213.281 -0.645 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(CCC)CC(N)=O ZINC000817055768 644967305 /nfs/dbraw/zinc/96/73/05/644967305.db2.gz RQFXFNQYISMGJH-UHFFFAOYSA-N 1 0 227.308 -0.172 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)Nc1ncn(C)n1 ZINC000817148969 586783855 /nfs/dbraw/zinc/78/38/55/586783855.db2.gz AYMMSAWYZBGMSW-UHFFFAOYSA-N 1 0 209.253 -0.129 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCNC(=O)NCC ZINC000817246104 586789839 /nfs/dbraw/zinc/78/98/39/586789839.db2.gz HUPLJXXWAMPKEX-UHFFFAOYSA-N 1 0 242.323 -0.461 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H](O)CC[C@H]1C ZINC000817287608 586793340 /nfs/dbraw/zinc/79/33/40/586793340.db2.gz DQKWCLUGRPMWEX-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000817287609 586792106 /nfs/dbraw/zinc/79/21/06/586792106.db2.gz DQKWCLUGRPMWEX-MNOVXSKESA-N 1 0 224.304 -0.029 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](COC)C(N)=O ZINC000817930143 586842642 /nfs/dbraw/zinc/84/26/42/586842642.db2.gz CFWVWXLYBBQJGZ-VIFPVBQESA-N 1 0 243.307 -0.937 20 30 BBEDRO C=CCN(C(=O)C(=O)N1CC[NH2+]CC1)C(C)C ZINC000817930972 586842220 /nfs/dbraw/zinc/84/22/20/586842220.db2.gz GRAWFJUMQLGFHY-UHFFFAOYSA-N 1 0 239.319 -0.159 20 30 BBEDRO C#CC(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000818033482 586865842 /nfs/dbraw/zinc/86/58/42/586865842.db2.gz IHBHYQOOALBTAY-WDEREUQCSA-N 1 0 222.288 -0.059 20 30 BBEDRO C=CCN(CC(=O)OCC)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818211638 586879795 /nfs/dbraw/zinc/87/97/95/586879795.db2.gz GHRIMDIZBMDQKM-BDAKNGLRSA-N 1 0 226.276 -0.089 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)c1[nH]nnc1C ZINC000818603165 586905120 /nfs/dbraw/zinc/90/51/20/586905120.db2.gz RGCACSHECBRXTR-UHFFFAOYSA-N 1 0 235.291 -0.202 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)C(C)(C)C(N)=O ZINC000818609100 586906065 /nfs/dbraw/zinc/90/60/65/586906065.db2.gz KOYJTMPMFPXBLU-UHFFFAOYSA-N 1 0 239.319 -0.431 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)C1(C(N)=O)CC1 ZINC000818612270 586906701 /nfs/dbraw/zinc/90/67/01/586906701.db2.gz RQWAKHPNMOLIFN-UHFFFAOYSA-N 1 0 237.303 -0.677 20 30 BBEDRO C=CCn1cc(CNC(=O)C[NH2+]CC)nn1 ZINC000818613219 586906866 /nfs/dbraw/zinc/90/68/66/586906866.db2.gz JPKOYWKJJDMNOS-UHFFFAOYSA-N 1 0 223.280 -0.310 20 30 BBEDRO C=C(CO)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000818937722 586916281 /nfs/dbraw/zinc/91/62/81/586916281.db2.gz MRBHGZIAESEQBW-UHFFFAOYSA-N 1 0 238.291 -0.068 20 30 BBEDRO N#Cc1ccc(NCC[NH2+]CCC(N)=O)nc1 ZINC000818952607 586917321 /nfs/dbraw/zinc/91/73/21/586917321.db2.gz RKZCDTNEJBUQJB-UHFFFAOYSA-N 1 0 233.275 -0.170 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCCn1cncn1 ZINC000818960737 586918343 /nfs/dbraw/zinc/91/83/43/586918343.db2.gz HUXATZMMYWWBKS-UHFFFAOYSA-N 1 0 235.291 -0.603 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC(=O)N(CC)CC ZINC000818975667 586918758 /nfs/dbraw/zinc/91/87/58/586918758.db2.gz UQLZLYCEPOOZQZ-UHFFFAOYSA-N 1 0 239.319 -0.416 20 30 BBEDRO N#Cc1cccnc1NCC[NH2+]CCC(N)=O ZINC000818976168 586919007 /nfs/dbraw/zinc/91/90/07/586919007.db2.gz VZEXFMKGICYGAM-UHFFFAOYSA-N 1 0 233.275 -0.170 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCS(=O)(=O)CC ZINC000818987666 586920233 /nfs/dbraw/zinc/92/02/33/586920233.db2.gz GWVIVEWUOXXGGF-UHFFFAOYSA-N 1 0 246.332 -0.850 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)C(F)(F)F ZINC000818988247 586919733 /nfs/dbraw/zinc/91/97/33/586919733.db2.gz NENWHVYSTAEKIN-SSDOTTSWSA-N 1 0 238.209 -0.361 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)C(F)(F)F ZINC000818988249 586919911 /nfs/dbraw/zinc/91/99/11/586919911.db2.gz NENWHVYSTAEKIN-ZETCQYMHSA-N 1 0 238.209 -0.361 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCN(C)C1 ZINC000819021149 586923977 /nfs/dbraw/zinc/92/39/77/586923977.db2.gz LPJLVHZYGJHBJA-LLVKDONJSA-N 1 0 223.320 -0.190 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCN(C)C1 ZINC000819021150 586924478 /nfs/dbraw/zinc/92/44/78/586924478.db2.gz LPJLVHZYGJHBJA-NSHDSACASA-N 1 0 223.320 -0.190 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C1CCN(CC#N)CC1 ZINC000819035149 586926340 /nfs/dbraw/zinc/92/63/40/586926340.db2.gz RCCUYCFEWCFOMC-UHFFFAOYSA-N 1 0 248.330 -0.297 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCCNC1=O ZINC000819038111 586926265 /nfs/dbraw/zinc/92/62/65/586926265.db2.gz AGICZQBQHJIZTA-JTQLQIEISA-N 1 0 237.303 -0.758 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCCNC1=O ZINC000819038112 586926236 /nfs/dbraw/zinc/92/62/36/586926236.db2.gz AGICZQBQHJIZTA-SNVBAGLBSA-N 1 0 237.303 -0.758 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[S@@](=O)CC ZINC000819046970 586927077 /nfs/dbraw/zinc/92/70/77/586927077.db2.gz GNEAOYUNAZEBLI-HNNXBMFYSA-N 1 0 230.333 -0.516 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[S@](=O)CC ZINC000819046972 586926933 /nfs/dbraw/zinc/92/69/33/586926933.db2.gz GNEAOYUNAZEBLI-OAHLLOKOSA-N 1 0 230.333 -0.516 20 30 BBEDRO C#CCSCC[NH2+]CCC(=O)NC(N)=O ZINC000819096238 586930772 /nfs/dbraw/zinc/93/07/72/586930772.db2.gz KWKDIURBUGKFQI-UHFFFAOYSA-N 1 0 229.305 -0.473 20 30 BBEDRO C#CCCCC[NH2+]CCC(=O)NC(N)=O ZINC000819153192 586933771 /nfs/dbraw/zinc/93/37/71/586933771.db2.gz CTULBITXPFFUGF-UHFFFAOYSA-N 1 0 211.265 -0.036 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCOCC=C ZINC000819217519 586939125 /nfs/dbraw/zinc/93/91/25/586939125.db2.gz BZKIFVHFSZPUBW-UHFFFAOYSA-N 1 0 210.277 -0.082 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000819224581 712590311 /nfs/dbraw/zinc/59/03/11/712590311.db2.gz IUIQDPYXIUVIEP-SECBINFHSA-N 1 0 219.306 -0.341 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000819224582 712590330 /nfs/dbraw/zinc/59/03/30/712590330.db2.gz IUIQDPYXIUVIEP-VIFPVBQESA-N 1 0 219.306 -0.341 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C1COC(C)(C)OC1 ZINC000819225647 586940704 /nfs/dbraw/zinc/94/07/04/586940704.db2.gz FQGYZLMUBKKPRN-UHFFFAOYSA-N 1 0 240.303 -0.133 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCOCC#C ZINC000819228034 586940685 /nfs/dbraw/zinc/94/06/85/586940685.db2.gz GGRXTTIDOJYYQT-UHFFFAOYSA-N 1 0 208.261 -0.635 20 30 BBEDRO C#CCOCC[NH2+]CCS(C)(=O)=O ZINC000819230629 586940905 /nfs/dbraw/zinc/94/09/05/586940905.db2.gz JGSJHURIVVBMRD-UHFFFAOYSA-N 1 0 205.279 -0.730 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)COCC ZINC000819230647 586940978 /nfs/dbraw/zinc/94/09/78/586940978.db2.gz KGIPRJKQDWWBFP-JTQLQIEISA-N 1 0 201.266 -0.377 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)COCC ZINC000819230648 586940962 /nfs/dbraw/zinc/94/09/62/586940962.db2.gz KGIPRJKQDWWBFP-SNVBAGLBSA-N 1 0 201.266 -0.377 20 30 BBEDRO C#CCOCC[NH2+]CCS(=O)(=O)CC ZINC000819230859 586940998 /nfs/dbraw/zinc/94/09/98/586940998.db2.gz MRUPZJITNZDCDF-UHFFFAOYSA-N 1 0 219.306 -0.340 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCC1(C)OCCO1 ZINC000819230918 586940889 /nfs/dbraw/zinc/94/08/89/586940889.db2.gz ZRFTXQRWJVQRKZ-UHFFFAOYSA-N 1 0 240.303 -0.131 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000819230971 586941037 /nfs/dbraw/zinc/94/10/37/586941037.db2.gz NXERMFVPCBQXLY-LLVKDONJSA-N 1 0 223.276 -0.517 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000819230972 586941470 /nfs/dbraw/zinc/94/14/70/586941470.db2.gz NXERMFVPCBQXLY-NSHDSACASA-N 1 0 223.276 -0.517 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000819231184 586941098 /nfs/dbraw/zinc/94/10/98/586941098.db2.gz QNJGLTKRIYUJIL-GFCCVEGCSA-N 1 0 239.319 -0.568 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000819231185 586941059 /nfs/dbraw/zinc/94/10/59/586941059.db2.gz QNJGLTKRIYUJIL-LBPRGKRZSA-N 1 0 239.319 -0.568 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000819231295 586941029 /nfs/dbraw/zinc/94/10/29/586941029.db2.gz SQDOVZYJDRNJIR-GFCCVEGCSA-N 1 0 226.320 -0.319 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000819231296 586941379 /nfs/dbraw/zinc/94/13/79/586941379.db2.gz SQDOVZYJDRNJIR-LBPRGKRZSA-N 1 0 226.320 -0.319 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)CSC ZINC000819231340 586940921 /nfs/dbraw/zinc/94/09/21/586940921.db2.gz UGHBRQNDQKJVFI-SECBINFHSA-N 1 0 203.307 -0.050 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)CSC ZINC000819231341 586940974 /nfs/dbraw/zinc/94/09/74/586940974.db2.gz UGHBRQNDQKJVFI-VIFPVBQESA-N 1 0 203.307 -0.050 20 30 BBEDRO C#CCOCC[NH2+]CCC(=O)N(C)OC ZINC000819231480 586941362 /nfs/dbraw/zinc/94/13/62/586941362.db2.gz XCZRIVWYBSNQDW-UHFFFAOYSA-N 1 0 214.265 -0.364 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCc1ccnn1C ZINC000819232068 586940846 /nfs/dbraw/zinc/94/08/46/586940846.db2.gz CVDGKEMIWCUWQE-UHFFFAOYSA-N 1 0 234.303 -0.308 20 30 BBEDRO C#C[C@@H]([NH2+]CCC(=O)NC(N)=O)[C@@H]1CCCO1 ZINC000819242076 586942764 /nfs/dbraw/zinc/94/27/64/586942764.db2.gz JAGDRPSWSCVSSP-BDAKNGLRSA-N 1 0 239.275 -0.658 20 30 BBEDRO C#C[C@H]([NH2+]CCC(=O)NC(N)=O)[C@H]1CCCO1 ZINC000819242077 586942913 /nfs/dbraw/zinc/94/29/13/586942913.db2.gz JAGDRPSWSCVSSP-DTWKUNHWSA-N 1 0 239.275 -0.658 20 30 BBEDRO C#C[C@H]([NH2+]CCC(=O)NC(N)=O)[C@@H]1CCCO1 ZINC000819242078 586942615 /nfs/dbraw/zinc/94/26/15/586942615.db2.gz JAGDRPSWSCVSSP-IUCAKERBSA-N 1 0 239.275 -0.658 20 30 BBEDRO C#C[C@@H]([NH2+]CCC(=O)NC(N)=O)[C@H]1CCCO1 ZINC000819242079 586942825 /nfs/dbraw/zinc/94/28/25/586942825.db2.gz JAGDRPSWSCVSSP-RKDXNWHRSA-N 1 0 239.275 -0.658 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C1COCCOC1 ZINC000819325408 586951864 /nfs/dbraw/zinc/95/18/64/586951864.db2.gz BYNHNMFBVBQSGV-UHFFFAOYSA-N 1 0 226.276 -0.869 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCCc1cnn(C)n1 ZINC000819331611 586953125 /nfs/dbraw/zinc/95/31/25/586953125.db2.gz ZHRHBANCWGLABQ-UHFFFAOYSA-N 1 0 249.318 -0.523 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC000819346917 586954968 /nfs/dbraw/zinc/95/49/68/586954968.db2.gz DZNDXFASCVUHAH-BDAKNGLRSA-N 1 0 219.306 -0.036 20 30 BBEDRO C=CCONC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819356438 586956450 /nfs/dbraw/zinc/95/64/50/586956450.db2.gz YJAADGOJNDGTJW-LLVKDONJSA-N 1 0 229.324 -0.698 20 30 BBEDRO C=CCONC[C@H](O)CN1CC[NH+](C)CC1 ZINC000819356439 586956346 /nfs/dbraw/zinc/95/63/46/586956346.db2.gz YJAADGOJNDGTJW-NSHDSACASA-N 1 0 229.324 -0.698 20 30 BBEDRO C#CCn1cc(CNC(=O)C[NH+](C)C)cn1 ZINC000819537984 586972921 /nfs/dbraw/zinc/97/29/21/586972921.db2.gz PJOILRVJPGGDAI-UHFFFAOYSA-N 1 0 220.276 -0.306 20 30 BBEDRO CN1CCN(N=C2CC[NH+](CCO)CC2)CC1 ZINC000819800971 645019103 /nfs/dbraw/zinc/01/91/03/645019103.db2.gz HSAVZFYWNSCZOZ-UHFFFAOYSA-N 1 0 240.351 -0.322 20 30 BBEDRO OCC[NH+]1CCC(=NN2CCOCC2)CC1 ZINC000819801549 586996031 /nfs/dbraw/zinc/99/60/31/586996031.db2.gz JWOOUYHCWAWMMO-UHFFFAOYSA-N 1 0 227.308 -0.237 20 30 BBEDRO CNC(=S)NN=C1CC[NH+](CCO)CC1 ZINC000819801688 586995762 /nfs/dbraw/zinc/99/57/62/586995762.db2.gz POIZMXPJKVTTMD-UHFFFAOYSA-N 1 0 230.337 -0.476 20 30 BBEDRO CN(C)C(=S)NN=C1CC[NH+](CCO)CC1 ZINC000819807988 586995836 /nfs/dbraw/zinc/99/58/36/586995836.db2.gz OJPREELYMIJXDO-UHFFFAOYSA-N 1 0 244.364 -0.133 20 30 BBEDRO C[C@H](CO)NN=C1CC[NH+](CCO)CC1 ZINC000819808891 586996584 /nfs/dbraw/zinc/99/65/84/586996584.db2.gz XITVBIFZQONPSN-SECBINFHSA-N 1 0 215.297 -0.599 20 30 BBEDRO C[C@@H](CO)NN=C1CC[NH+](CCO)CC1 ZINC000819808898 586996519 /nfs/dbraw/zinc/99/65/19/586996519.db2.gz XITVBIFZQONPSN-VIFPVBQESA-N 1 0 215.297 -0.599 20 30 BBEDRO Cn1[nH]ccc1=NN=C1CC[NH+](CCO)CC1 ZINC000819809495 586996313 /nfs/dbraw/zinc/99/63/13/586996313.db2.gz HYKQEMGFGFWLGO-UHFFFAOYSA-N 1 0 237.307 -0.302 20 30 BBEDRO OCC[NH+]1CCC(=NN[C@@H]2CCOC2)CC1 ZINC000819809510 586996534 /nfs/dbraw/zinc/99/65/34/586996534.db2.gz IJXLUTSFICNZGJ-LLVKDONJSA-N 1 0 227.308 -0.191 20 30 BBEDRO OCC[NH+]1CCC(=NN[C@H]2CCOC2)CC1 ZINC000819809511 586996629 /nfs/dbraw/zinc/99/66/29/586996629.db2.gz IJXLUTSFICNZGJ-NSHDSACASA-N 1 0 227.308 -0.191 20 30 BBEDRO Cn1nncc1N=NC1CC[NH+](CCO)CC1 ZINC000819813004 586997938 /nfs/dbraw/zinc/99/79/38/586997938.db2.gz JMDSDCHTWJBYIC-UHFFFAOYSA-N 1 0 238.295 -0.329 20 30 BBEDRO OCC[NH+]1CCC(=NN[C@@H]2CCC[C@H]2O)CC1 ZINC000819813349 586998173 /nfs/dbraw/zinc/99/81/73/586998173.db2.gz NNNMMQAAOFDBDI-VXGBXAGGSA-N 1 0 241.335 -0.067 20 30 BBEDRO C[C@@H](O)CN=NC1CC[NH+](CCO)CC1 ZINC000819813455 586997975 /nfs/dbraw/zinc/99/79/75/586997975.db2.gz OPWGOBKOVOBHEP-SECBINFHSA-N 1 0 215.297 -0.599 20 30 BBEDRO C[C@H](O)CN=NC1CC[NH+](CCO)CC1 ZINC000819813458 586997867 /nfs/dbraw/zinc/99/78/67/586997867.db2.gz OPWGOBKOVOBHEP-VIFPVBQESA-N 1 0 215.297 -0.599 20 30 BBEDRO CNC(=S)N(C)N=C1CC[NH+](CCO)CC1 ZINC000819813592 586997932 /nfs/dbraw/zinc/99/79/32/586997932.db2.gz PQMKGYPJVDJMCT-UHFFFAOYSA-N 1 0 244.364 -0.133 20 30 BBEDRO OCC[NH+]1CCC(N=Nc2nc[nH]n2)CC1 ZINC000819813711 586997852 /nfs/dbraw/zinc/99/78/52/586997852.db2.gz RUJWYHYTMVDJAD-UHFFFAOYSA-N 1 0 224.268 -0.339 20 30 BBEDRO CC[C@@H](O)CN=NC1CC[NH+](CCO)CC1 ZINC000819813821 586997754 /nfs/dbraw/zinc/99/77/54/586997754.db2.gz UEBISMBAQFGHQV-LLVKDONJSA-N 1 0 229.324 -0.209 20 30 BBEDRO CC[C@H](O)CNN=C1CC[NH+](CCO)CC1 ZINC000819813824 586998196 /nfs/dbraw/zinc/99/81/96/586998196.db2.gz UEBISMBAQFGHQV-NSHDSACASA-N 1 0 229.324 -0.209 20 30 BBEDRO C[C@H](O)CN(C)N=C1CC[NH+](CCO)CC1 ZINC000819814083 586997918 /nfs/dbraw/zinc/99/79/18/586997918.db2.gz WRURQSDUMAFQRA-JTQLQIEISA-N 1 0 229.324 -0.257 20 30 BBEDRO C[C@@H](O)CN(C)N=C1CC[NH+](CCO)CC1 ZINC000819814084 586997879 /nfs/dbraw/zinc/99/78/79/586997879.db2.gz WRURQSDUMAFQRA-SNVBAGLBSA-N 1 0 229.324 -0.257 20 30 BBEDRO OCCN=NC1CC[NH+](CCO)CC1 ZINC000819814095 586997983 /nfs/dbraw/zinc/99/79/83/586997983.db2.gz XKQVAVRMIRBEIA-UHFFFAOYSA-N 1 0 201.270 -0.988 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC000820059453 587015772 /nfs/dbraw/zinc/01/57/72/587015772.db2.gz FRUCALGZWTXXKM-JTQLQIEISA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC000820059454 587015666 /nfs/dbraw/zinc/01/56/66/587015666.db2.gz FRUCALGZWTXXKM-SNVBAGLBSA-N 1 0 212.293 -0.173 20 30 BBEDRO CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCN(O)C1=O ZINC000820119939 587023378 /nfs/dbraw/zinc/02/33/78/587023378.db2.gz IKEIOLAKQBSNRP-MRVPVSSYSA-N 1 0 243.307 -0.129 20 30 BBEDRO CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCN(O)C1=O ZINC000820119940 587023999 /nfs/dbraw/zinc/02/39/99/587023999.db2.gz IKEIOLAKQBSNRP-QMMMGPOBSA-N 1 0 243.307 -0.129 20 30 BBEDRO CC[C@H](C(=O)N[C@@H]1CCN(O)C1=O)[NH+](C)C ZINC000820127466 587024338 /nfs/dbraw/zinc/02/43/38/587024338.db2.gz NHGQYICLUWYQJN-HTQZYQBOSA-N 1 0 229.280 -0.567 20 30 BBEDRO CC[C@H](C(=O)N[C@H]1CCN(O)C1=O)[NH+](C)C ZINC000820127468 587024716 /nfs/dbraw/zinc/02/47/16/587024716.db2.gz NHGQYICLUWYQJN-JGVFFNPUSA-N 1 0 229.280 -0.567 20 30 BBEDRO CC[C@@H](C(=O)N[C@@H]1CCN(O)C1=O)[NH+](C)C ZINC000820127471 587024678 /nfs/dbraw/zinc/02/46/78/587024678.db2.gz NHGQYICLUWYQJN-SFYZADRCSA-N 1 0 229.280 -0.567 20 30 BBEDRO CC[C@@H](C(=O)N[C@H]1CCN(O)C1=O)[NH+](C)C ZINC000820127474 587024708 /nfs/dbraw/zinc/02/47/08/587024708.db2.gz NHGQYICLUWYQJN-YUMQZZPRSA-N 1 0 229.280 -0.567 20 30 BBEDRO CN1CCC[C@@H]1C(=O)N[C@@H]1CCN(O)C1=O ZINC000820128620 587025450 /nfs/dbraw/zinc/02/54/50/587025450.db2.gz ZHHMGRJFIUITTR-HTQZYQBOSA-N 1 0 227.264 -0.813 20 30 BBEDRO CN1CCC[C@@H]1C(=O)N[C@H]1CCN(O)C1=O ZINC000820128623 587025664 /nfs/dbraw/zinc/02/56/64/587025664.db2.gz ZHHMGRJFIUITTR-JGVFFNPUSA-N 1 0 227.264 -0.813 20 30 BBEDRO CN1CCC[C@H]1C(=O)N[C@@H]1CCN(O)C1=O ZINC000820128625 587025202 /nfs/dbraw/zinc/02/52/02/587025202.db2.gz ZHHMGRJFIUITTR-SFYZADRCSA-N 1 0 227.264 -0.813 20 30 BBEDRO CN1CCC[C@H]1C(=O)N[C@H]1CCN(O)C1=O ZINC000820128626 587024812 /nfs/dbraw/zinc/02/48/12/587024812.db2.gz ZHHMGRJFIUITTR-YUMQZZPRSA-N 1 0 227.264 -0.813 20 30 BBEDRO C[N@H+](CC(=O)N[C@@H]1CCN(O)C1=O)C1CCC1 ZINC000820130964 585010177 /nfs/dbraw/zinc/01/01/77/585010177.db2.gz DKJZEWNNQAAYKX-SECBINFHSA-N 1 0 241.291 -0.423 20 30 BBEDRO C[N@H+](CC(=O)N[C@H]1CCN(O)C1=O)C1CCC1 ZINC000820130965 585010275 /nfs/dbraw/zinc/01/02/75/585010275.db2.gz DKJZEWNNQAAYKX-VIFPVBQESA-N 1 0 241.291 -0.423 20 30 BBEDRO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(O)C2=O)CC1 ZINC000820131118 587025748 /nfs/dbraw/zinc/02/57/48/587025748.db2.gz GEGHEHFNZQICJJ-MRVPVSSYSA-N 1 0 241.291 -0.566 20 30 BBEDRO C[NH+](C)CC1(C(=O)N[C@H]2CCN(O)C2=O)CC1 ZINC000820131119 587024944 /nfs/dbraw/zinc/02/49/44/587024944.db2.gz GEGHEHFNZQICJJ-QMMMGPOBSA-N 1 0 241.291 -0.566 20 30 BBEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(O)C2=O)CC[N@@H+]1C ZINC000820131699 587025061 /nfs/dbraw/zinc/02/50/61/587025061.db2.gz KVGJINMFKVDYHO-HLTSFMKQSA-N 1 0 241.291 -0.567 20 30 BBEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(O)C2=O)CC[N@@H+]1C ZINC000820131700 587024949 /nfs/dbraw/zinc/02/49/49/587024949.db2.gz KVGJINMFKVDYHO-IWSPIJDZSA-N 1 0 241.291 -0.567 20 30 BBEDRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(O)C2=O)C1 ZINC000820132167 587024884 /nfs/dbraw/zinc/02/48/84/587024884.db2.gz OCOJABVZUHIXTF-BDAKNGLRSA-N 1 0 241.291 -0.566 20 30 BBEDRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(O)C2=O)C1 ZINC000820132168 587024994 /nfs/dbraw/zinc/02/49/94/587024994.db2.gz OCOJABVZUHIXTF-DTWKUNHWSA-N 1 0 241.291 -0.566 20 30 BBEDRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(O)C2=O)C1 ZINC000820132170 587025322 /nfs/dbraw/zinc/02/53/22/587025322.db2.gz OCOJABVZUHIXTF-IUCAKERBSA-N 1 0 241.291 -0.566 20 30 BBEDRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(O)C2=O)C1 ZINC000820132172 587025565 /nfs/dbraw/zinc/02/55/65/587025565.db2.gz OCOJABVZUHIXTF-RKDXNWHRSA-N 1 0 241.291 -0.566 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(O)C1=O ZINC000820133034 585010296 /nfs/dbraw/zinc/01/02/96/585010296.db2.gz VAXKUIBRAZATPU-SECBINFHSA-N 1 0 241.291 -0.399 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(O)C1=O ZINC000820133038 585010367 /nfs/dbraw/zinc/01/03/67/585010367.db2.gz VAXKUIBRAZATPU-VIFPVBQESA-N 1 0 241.291 -0.399 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(O)C1=O ZINC000820143048 645024205 /nfs/dbraw/zinc/02/42/05/645024205.db2.gz BWGGSZWFSSFNAG-MRVPVSSYSA-N 1 0 227.264 -0.790 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCN(O)C1=O ZINC000820143049 645024645 /nfs/dbraw/zinc/02/46/45/645024645.db2.gz BWGGSZWFSSFNAG-QMMMGPOBSA-N 1 0 227.264 -0.790 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(O)C2=O)C1 ZINC000820143279 645024135 /nfs/dbraw/zinc/02/41/35/645024135.db2.gz FUIKYKXCSHDZPN-HTQZYQBOSA-N 1 0 227.264 -0.956 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(O)C2=O)C1 ZINC000820143281 645024382 /nfs/dbraw/zinc/02/43/82/645024382.db2.gz FUIKYKXCSHDZPN-JGVFFNPUSA-N 1 0 227.264 -0.956 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(O)C2=O)C1 ZINC000820143282 645024573 /nfs/dbraw/zinc/02/45/73/645024573.db2.gz FUIKYKXCSHDZPN-SFYZADRCSA-N 1 0 227.264 -0.956 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(O)C2=O)C1 ZINC000820143284 645024032 /nfs/dbraw/zinc/02/40/32/645024032.db2.gz FUIKYKXCSHDZPN-YUMQZZPRSA-N 1 0 227.264 -0.956 20 30 BBEDRO CC(C)[C@@H](C(=O)N[C@@H]1CCN(O)C1=O)[NH+](C)C ZINC000820148436 587027618 /nfs/dbraw/zinc/02/76/18/587027618.db2.gz FVUWQHUNPNTIPJ-BDAKNGLRSA-N 1 0 243.307 -0.321 20 30 BBEDRO CC(C)[C@H](C(=O)N[C@H]1CCN(O)C1=O)[NH+](C)C ZINC000820148437 587027594 /nfs/dbraw/zinc/02/75/94/587027594.db2.gz FVUWQHUNPNTIPJ-DTWKUNHWSA-N 1 0 243.307 -0.321 20 30 BBEDRO CC(C)[C@@H](C(=O)N[C@H]1CCN(O)C1=O)[NH+](C)C ZINC000820148438 587028024 /nfs/dbraw/zinc/02/80/24/587028024.db2.gz FVUWQHUNPNTIPJ-IUCAKERBSA-N 1 0 243.307 -0.321 20 30 BBEDRO CC(C)[C@H](C(=O)N[C@@H]1CCN(O)C1=O)[NH+](C)C ZINC000820148439 587027486 /nfs/dbraw/zinc/02/74/86/587027486.db2.gz FVUWQHUNPNTIPJ-RKDXNWHRSA-N 1 0 243.307 -0.321 20 30 BBEDRO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(O)C1=O ZINC000820156471 587029555 /nfs/dbraw/zinc/02/95/55/587029555.db2.gz JDJGZDIHSXTSTJ-MRVPVSSYSA-N 1 0 229.280 -0.566 20 30 BBEDRO CCC[N@H+](C)CC(=O)N[C@H]1CCN(O)C1=O ZINC000820156472 587029610 /nfs/dbraw/zinc/02/96/10/587029610.db2.gz JDJGZDIHSXTSTJ-QMMMGPOBSA-N 1 0 229.280 -0.566 20 30 BBEDRO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(O)C1=O ZINC000820156843 587029482 /nfs/dbraw/zinc/02/94/82/587029482.db2.gz OQNBHXWOKAVRDT-SECBINFHSA-N 1 0 243.307 -0.175 20 30 BBEDRO C[NH+](C)CCCCC(=O)N[C@H]1CCN(O)C1=O ZINC000820156844 587029256 /nfs/dbraw/zinc/02/92/56/587029256.db2.gz OQNBHXWOKAVRDT-VIFPVBQESA-N 1 0 243.307 -0.175 20 30 BBEDRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCN(O)C1=O ZINC000820180362 587033036 /nfs/dbraw/zinc/03/30/36/587033036.db2.gz XEMULAZGHGOSFC-MRVPVSSYSA-N 1 0 229.280 -0.567 20 30 BBEDRO CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(O)C1=O ZINC000820180364 587032688 /nfs/dbraw/zinc/03/26/88/587032688.db2.gz XEMULAZGHGOSFC-QMMMGPOBSA-N 1 0 229.280 -0.567 20 30 BBEDRO N#C[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC000820295584 587042114 /nfs/dbraw/zinc/04/21/14/587042114.db2.gz LWPUZSXQPLUUJR-JTQLQIEISA-N 1 0 223.276 -0.167 20 30 BBEDRO N#C[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC000820295585 587042197 /nfs/dbraw/zinc/04/21/97/587042197.db2.gz LWPUZSXQPLUUJR-SNVBAGLBSA-N 1 0 223.276 -0.167 20 30 BBEDRO C#C[C@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000820395217 587045901 /nfs/dbraw/zinc/04/59/01/587045901.db2.gz UXMWZQFULJIGAY-GARJFASQSA-N 1 0 237.303 -0.532 20 30 BBEDRO C#C[C@@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000820395221 587045957 /nfs/dbraw/zinc/04/59/57/587045957.db2.gz UXMWZQFULJIGAY-OUAUKWLOSA-N 1 0 237.303 -0.532 20 30 BBEDRO C#C[C@H](C)NC(=O)NCC[N@H+](CC)CCO ZINC000820417360 587047384 /nfs/dbraw/zinc/04/73/84/587047384.db2.gz VRSPEZRRFWXHOU-JTQLQIEISA-N 1 0 227.308 -0.379 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCC[N@H+](CC)CCO ZINC000820417361 587047271 /nfs/dbraw/zinc/04/72/71/587047271.db2.gz VRSPEZRRFWXHOU-SNVBAGLBSA-N 1 0 227.308 -0.379 20 30 BBEDRO C#C[C@H](C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000820417430 587047265 /nfs/dbraw/zinc/04/72/65/587047265.db2.gz XPEGTCCFXYRZDZ-GXSJLCMTSA-N 1 0 225.292 -0.626 20 30 BBEDRO C#C[C@@H](C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000820417431 587047327 /nfs/dbraw/zinc/04/73/27/587047327.db2.gz XPEGTCCFXYRZDZ-KOLCDFICSA-N 1 0 225.292 -0.626 20 30 BBEDRO C#C[C@@H](C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000820417432 587047408 /nfs/dbraw/zinc/04/74/08/587047408.db2.gz XPEGTCCFXYRZDZ-MWLCHTKSSA-N 1 0 225.292 -0.626 20 30 BBEDRO C#C[C@H](C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000820417433 587047232 /nfs/dbraw/zinc/04/72/32/587047232.db2.gz XPEGTCCFXYRZDZ-ONGXEEELSA-N 1 0 225.292 -0.626 20 30 BBEDRO C#C[C@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000820422847 587047838 /nfs/dbraw/zinc/04/78/38/587047838.db2.gz OCEHBJIXRGBGCW-GXSJLCMTSA-N 1 0 227.308 -0.380 20 30 BBEDRO C#C[C@@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000820422848 587047905 /nfs/dbraw/zinc/04/79/05/587047905.db2.gz OCEHBJIXRGBGCW-KOLCDFICSA-N 1 0 227.308 -0.380 20 30 BBEDRO C#C[C@@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000820422849 587047754 /nfs/dbraw/zinc/04/77/54/587047754.db2.gz OCEHBJIXRGBGCW-MWLCHTKSSA-N 1 0 227.308 -0.380 20 30 BBEDRO C#C[C@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000820422850 587047885 /nfs/dbraw/zinc/04/78/85/587047885.db2.gz OCEHBJIXRGBGCW-ONGXEEELSA-N 1 0 227.308 -0.380 20 30 BBEDRO C#C[C@H](C)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000820427275 587048236 /nfs/dbraw/zinc/04/82/36/587048236.db2.gz FVIIZGRHFYEBJV-JTQLQIEISA-N 1 0 239.319 -0.236 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000820427276 587048305 /nfs/dbraw/zinc/04/83/05/587048305.db2.gz FVIIZGRHFYEBJV-SNVBAGLBSA-N 1 0 239.319 -0.236 20 30 BBEDRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCN(O)C1=O ZINC000820476583 587051004 /nfs/dbraw/zinc/05/10/04/587051004.db2.gz NDXFYEGMPFKTCB-SECBINFHSA-N 1 0 243.307 -0.177 20 30 BBEDRO CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN(O)C1=O ZINC000820476584 587050939 /nfs/dbraw/zinc/05/09/39/587050939.db2.gz NDXFYEGMPFKTCB-VIFPVBQESA-N 1 0 243.307 -0.177 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)c1cn(CC)nn1 ZINC000820688167 587066032 /nfs/dbraw/zinc/06/60/32/587066032.db2.gz LVHSOINPKIOOKJ-UHFFFAOYSA-N 1 0 249.318 -0.017 20 30 BBEDRO C#C[C@@H](CO)NC(=O)COC1CC[NH+](C)CC1 ZINC000821288167 587104979 /nfs/dbraw/zinc/10/49/79/587104979.db2.gz HJPDVZHJWDGALP-JTQLQIEISA-N 1 0 240.303 -0.793 20 30 BBEDRO C#C[C@H](CO)NC(=O)COC1CC[NH+](C)CC1 ZINC000821288168 587105236 /nfs/dbraw/zinc/10/52/36/587105236.db2.gz HJPDVZHJWDGALP-SNVBAGLBSA-N 1 0 240.303 -0.793 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000821288398 587105085 /nfs/dbraw/zinc/10/50/85/587105085.db2.gz JRCFZEQEFXUGLN-GHMZBOCLSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000821288399 587105034 /nfs/dbraw/zinc/10/50/34/587105034.db2.gz JRCFZEQEFXUGLN-MNOVXSKESA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000821288400 587105313 /nfs/dbraw/zinc/10/53/13/587105313.db2.gz JRCFZEQEFXUGLN-QWRGUYRKSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000821288401 587104991 /nfs/dbraw/zinc/10/49/91/587104991.db2.gz JRCFZEQEFXUGLN-WDEREUQCSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#CCOCCNC(=O)C[NH+]1CCCC1 ZINC000821882160 587145376 /nfs/dbraw/zinc/14/53/76/587145376.db2.gz SQHWILFGRNLLOM-UHFFFAOYSA-N 1 0 210.277 -0.152 20 30 BBEDRO CC(C)(C)[NH2+]CCC(=O)N[C@H](C#N)CO ZINC000821921260 587146858 /nfs/dbraw/zinc/14/68/58/587146858.db2.gz DXJXBABRIALBHX-MRVPVSSYSA-N 1 0 213.281 -0.235 20 30 BBEDRO CC(C)(C)[NH2+]CCC(=O)N[C@@H](C#N)CO ZINC000821921263 587146690 /nfs/dbraw/zinc/14/66/90/587146690.db2.gz DXJXBABRIALBHX-QMMMGPOBSA-N 1 0 213.281 -0.235 20 30 BBEDRO CON=CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000822235430 587158765 /nfs/dbraw/zinc/15/87/65/587158765.db2.gz IBXOXNRMHQWYNJ-UHFFFAOYSA-N 1 0 242.323 -0.676 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)[C@@H](C)O ZINC000822543671 587174457 /nfs/dbraw/zinc/17/44/57/587174457.db2.gz YYRCIYPUVZUFBS-NXEZZACHSA-N 1 0 230.308 -0.648 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC000822679117 587180732 /nfs/dbraw/zinc/18/07/32/587180732.db2.gz AOZJNBHMAAUOOB-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC000822679118 587181098 /nfs/dbraw/zinc/18/10/98/587181098.db2.gz AOZJNBHMAAUOOB-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000822680659 587180979 /nfs/dbraw/zinc/18/09/79/587180979.db2.gz UUBSTSBHXIEZML-NXEZZACHSA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CCC[C@H](O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000822680660 587181025 /nfs/dbraw/zinc/18/10/25/587181025.db2.gz UUBSTSBHXIEZML-ZJUUUORDSA-N 1 0 212.293 -0.173 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000822795103 587186850 /nfs/dbraw/zinc/18/68/50/587186850.db2.gz ZIZAVTUVNQLGFZ-NXEZZACHSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000822795104 587186476 /nfs/dbraw/zinc/18/64/76/587186476.db2.gz ZIZAVTUVNQLGFZ-UWVGGRQHSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000822795105 587186828 /nfs/dbraw/zinc/18/68/28/587186828.db2.gz ZIZAVTUVNQLGFZ-VHSXEESVSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000822795106 587186861 /nfs/dbraw/zinc/18/68/61/587186861.db2.gz ZIZAVTUVNQLGFZ-ZJUUUORDSA-N 1 0 212.293 -0.010 20 30 BBEDRO NC(=[NH2+])NN=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822845952 587189377 /nfs/dbraw/zinc/18/93/77/587189377.db2.gz JRVFNXFTJHCTFY-UHFFFAOYSA-N 1 0 248.225 -0.177 20 30 BBEDRO NC(=[NH2+])NN=Cc1ccc(-c2nn[nH]n2)s1 ZINC000822846313 587189117 /nfs/dbraw/zinc/18/91/17/587189117.db2.gz WDVAPGXSUPDSKW-UHFFFAOYSA-N 1 0 236.264 -0.255 20 30 BBEDRO NC(=[NH2+])NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822846332 587189210 /nfs/dbraw/zinc/18/92/10/587189210.db2.gz XDVYWDHTJNPZAC-UHFFFAOYSA-N 1 0 220.196 -0.723 20 30 BBEDRO NC(=[NH2+])NN=Cc1cc(-c2nn[nH]n2)cs1 ZINC000822846345 587189351 /nfs/dbraw/zinc/18/93/51/587189351.db2.gz YDBLBUMVHFEZHE-UHFFFAOYSA-N 1 0 236.264 -0.255 20 30 BBEDRO N#Cc1ncn(CCNC(=O)C[NH+]2CCCC2)n1 ZINC000822890241 587191612 /nfs/dbraw/zinc/19/16/12/587191612.db2.gz GKIFLKCFFXREIL-UHFFFAOYSA-N 1 0 248.290 -0.638 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000823052078 587199810 /nfs/dbraw/zinc/19/98/10/587199810.db2.gz BYEBXUHBMLVWBO-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000823052080 587199765 /nfs/dbraw/zinc/19/97/65/587199765.db2.gz BYEBXUHBMLVWBO-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823052399 587199614 /nfs/dbraw/zinc/19/96/14/587199614.db2.gz FAUAEDVFDNNGAG-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823052402 587199485 /nfs/dbraw/zinc/19/94/85/587199485.db2.gz FAUAEDVFDNNGAG-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823052403 587199795 /nfs/dbraw/zinc/19/97/95/587199795.db2.gz FAUAEDVFDNNGAG-QWRGUYRKSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823052406 587199429 /nfs/dbraw/zinc/19/94/29/587199429.db2.gz FAUAEDVFDNNGAG-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000823052641 587200081 /nfs/dbraw/zinc/20/00/81/587200081.db2.gz HKISADXEPROJKA-MNOVXSKESA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000823052642 587199925 /nfs/dbraw/zinc/19/99/25/587199925.db2.gz HKISADXEPROJKA-QWRGUYRKSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000823052947 587200116 /nfs/dbraw/zinc/20/01/16/587200116.db2.gz KEOMWGOOTAMVBB-JTQLQIEISA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000823052948 587200064 /nfs/dbraw/zinc/20/00/64/587200064.db2.gz KEOMWGOOTAMVBB-SNVBAGLBSA-N 1 0 224.304 -0.171 20 30 BBEDRO C[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)[NH+](C)C ZINC000823162246 587206190 /nfs/dbraw/zinc/20/61/90/587206190.db2.gz ZMVAFCHNXWFZOS-HTQZYQBOSA-N 1 0 229.280 -0.567 20 30 BBEDRO C[C@H](C(=O)N[C@H]1CCCN(O)C1=O)[NH+](C)C ZINC000823162247 587206211 /nfs/dbraw/zinc/20/62/11/587206211.db2.gz ZMVAFCHNXWFZOS-SFYZADRCSA-N 1 0 229.280 -0.567 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000823188470 587207316 /nfs/dbraw/zinc/20/73/16/587207316.db2.gz ROCDSSXEJZYQFS-PHIMTYICSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](C)C[C@H]1CC ZINC000823200648 587208252 /nfs/dbraw/zinc/20/82/52/587208252.db2.gz ZSUKLXXOBPGDJU-LLVKDONJSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CCNC(=O)CN1CC[N@@H+](C)C[C@@H]1CC ZINC000823200649 587207957 /nfs/dbraw/zinc/20/79/57/587207957.db2.gz ZSUKLXXOBPGDJU-NSHDSACASA-N 1 0 223.320 -0.238 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823314072 587216240 /nfs/dbraw/zinc/21/62/40/587216240.db2.gz HCRUFAVOIBAFEH-NXEZZACHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823314073 587216154 /nfs/dbraw/zinc/21/61/54/587216154.db2.gz HCRUFAVOIBAFEH-UWVGGRQHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823314074 587216008 /nfs/dbraw/zinc/21/60/08/587216008.db2.gz HCRUFAVOIBAFEH-VHSXEESVSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823314075 587216227 /nfs/dbraw/zinc/21/62/27/587216227.db2.gz HCRUFAVOIBAFEH-ZJUUUORDSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000823315961 587216200 /nfs/dbraw/zinc/21/62/00/587216200.db2.gz SFXIORSPTMAQAC-UWVGGRQHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000823315962 587216033 /nfs/dbraw/zinc/21/60/33/587216033.db2.gz SFXIORSPTMAQAC-ZJUUUORDSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#C[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000823316018 587216273 /nfs/dbraw/zinc/21/62/73/587216273.db2.gz TVYMDFGLOHNBIG-SECBINFHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000823316019 587216296 /nfs/dbraw/zinc/21/62/96/587216296.db2.gz TVYMDFGLOHNBIG-VIFPVBQESA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CC[C@H](NC(=O)C[NH+]1CCCC1)C(=O)OC ZINC000823519002 587228954 /nfs/dbraw/zinc/22/89/54/587228954.db2.gz KJQSVGCYGFDXIE-JTQLQIEISA-N 1 0 238.287 -0.237 20 30 BBEDRO C#CC[C@@H](NC(=O)C[NH+]1CCCC1)C(=O)OC ZINC000823519003 587229046 /nfs/dbraw/zinc/22/90/46/587229046.db2.gz KJQSVGCYGFDXIE-SNVBAGLBSA-N 1 0 238.287 -0.237 20 30 BBEDRO C#CC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C(=O)OC ZINC000823519031 587229025 /nfs/dbraw/zinc/22/90/25/587229025.db2.gz KRAXOEASECDQBZ-BDAKNGLRSA-N 1 0 226.276 -0.382 20 30 BBEDRO C#CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C(=O)OC ZINC000823519032 587229009 /nfs/dbraw/zinc/22/90/09/587229009.db2.gz KRAXOEASECDQBZ-DTWKUNHWSA-N 1 0 226.276 -0.382 20 30 BBEDRO C#CC[C@H](NC(=O)[C@H](C)[NH+](C)C)C(=O)OC ZINC000823519033 587228874 /nfs/dbraw/zinc/22/88/74/587228874.db2.gz KRAXOEASECDQBZ-IUCAKERBSA-N 1 0 226.276 -0.382 20 30 BBEDRO C#CC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C(=O)OC ZINC000823519034 587228977 /nfs/dbraw/zinc/22/89/77/587228977.db2.gz KRAXOEASECDQBZ-RKDXNWHRSA-N 1 0 226.276 -0.382 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000823541932 587230776 /nfs/dbraw/zinc/23/07/76/587230776.db2.gz SZAHRVZHYURNLM-NXEZZACHSA-N 1 0 210.277 -0.203 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000823541934 587230563 /nfs/dbraw/zinc/23/05/63/587230563.db2.gz SZAHRVZHYURNLM-ZJUUUORDSA-N 1 0 210.277 -0.203 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC000823542317 587230526 /nfs/dbraw/zinc/23/05/26/587230526.db2.gz VTXLDDBATVKKNJ-LLVKDONJSA-N 1 0 222.288 -0.057 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC000823542319 587230545 /nfs/dbraw/zinc/23/05/45/587230545.db2.gz VTXLDDBATVKKNJ-NSHDSACASA-N 1 0 222.288 -0.057 20 30 BBEDRO C=C(CO)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000823721866 587238166 /nfs/dbraw/zinc/23/81/66/587238166.db2.gz APAPDLVFDBBDLQ-NSHDSACASA-N 1 0 242.319 -0.502 20 30 BBEDRO CON=CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000823727757 587237996 /nfs/dbraw/zinc/23/79/96/587237996.db2.gz MGRIQTDPHLMDPG-JTQLQIEISA-N 1 0 243.307 -0.418 20 30 BBEDRO N#CC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000824025524 587249256 /nfs/dbraw/zinc/24/92/56/587249256.db2.gz HQFIXNRJEKKEJV-GFCCVEGCSA-N 1 0 237.303 -0.041 20 30 BBEDRO N#CC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000824025525 587249046 /nfs/dbraw/zinc/24/90/46/587249046.db2.gz HQFIXNRJEKKEJV-LBPRGKRZSA-N 1 0 237.303 -0.041 20 30 BBEDRO CC#CC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000824142932 587258087 /nfs/dbraw/zinc/25/80/87/587258087.db2.gz PVYMJWNZZGQATR-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO CC#CC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000824142933 587258103 /nfs/dbraw/zinc/25/81/03/587258103.db2.gz PVYMJWNZZGQATR-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824741502 587285409 /nfs/dbraw/zinc/28/54/09/587285409.db2.gz SYGFCMWCOVLWFC-AXFHLTTASA-N 1 0 240.303 -0.487 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824741506 587285272 /nfs/dbraw/zinc/28/52/72/587285272.db2.gz SYGFCMWCOVLWFC-DCAQKATOSA-N 1 0 240.303 -0.487 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824741508 587285398 /nfs/dbraw/zinc/28/53/98/587285398.db2.gz SYGFCMWCOVLWFC-MXWKQRLJSA-N 1 0 240.303 -0.487 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824741509 587285342 /nfs/dbraw/zinc/28/53/42/587285342.db2.gz SYGFCMWCOVLWFC-VWYCJHECSA-N 1 0 240.303 -0.487 20 30 BBEDRO C#CCN1CCN(C(=O)C(=C)C[NH+](C)C)CC1 ZINC000825287752 587312702 /nfs/dbraw/zinc/31/27/02/587312702.db2.gz VUKPVQKUFGOPEO-UHFFFAOYSA-N 1 0 235.331 -0.118 20 30 BBEDRO COC(=O)CCN(CC#N)C(=O)[C@@H](C)[NH+](C)C ZINC000825374156 587317441 /nfs/dbraw/zinc/31/74/41/587317441.db2.gz FUEVJFCYEWENLG-SECBINFHSA-N 1 0 241.291 -0.148 20 30 BBEDRO C#CCNC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000825589972 587326020 /nfs/dbraw/zinc/32/60/20/587326020.db2.gz HPKFWVJKJODDDT-SNVBAGLBSA-N 1 0 223.276 -0.920 20 30 BBEDRO NC(=[NH2+])NN=Cc1ccccc1-c1nn[nH]n1 ZINC000826388296 607886158 /nfs/dbraw/zinc/88/61/58/607886158.db2.gz QTXCPPUVDXYRMV-UHFFFAOYSA-N 1 0 230.235 -0.316 20 30 BBEDRO C=C[C@H](CO)NC(=O)COC1CC[NH+](C)CC1 ZINC000826588349 587355990 /nfs/dbraw/zinc/35/59/90/587355990.db2.gz UCVMCHZPQNVTJL-SNVBAGLBSA-N 1 0 242.319 -0.240 20 30 BBEDRO CON=CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000827342634 587377663 /nfs/dbraw/zinc/37/76/63/587377663.db2.gz MGRIQTDPHLMDPG-SNVBAGLBSA-N 1 0 243.307 -0.418 20 30 BBEDRO C#CCN1CCN(C(=O)Cc2nnc(C)[nH]2)CC1 ZINC000827525903 587386058 /nfs/dbraw/zinc/38/60/58/587386058.db2.gz CTMCNRTWMBFMOV-UHFFFAOYSA-N 1 0 247.302 -0.567 20 30 BBEDRO C#CCN1CCN(C(=O)C[C@@H]2CC(=O)N2)CC1 ZINC000827526145 587386380 /nfs/dbraw/zinc/38/63/80/587386380.db2.gz HPYWJLTZEAWOPS-JTQLQIEISA-N 1 0 235.287 -0.958 20 30 BBEDRO C#CCN1CCN(C(=O)C[C@H]2CC(=O)N2)CC1 ZINC000827526146 587386162 /nfs/dbraw/zinc/38/61/62/587386162.db2.gz HPYWJLTZEAWOPS-SNVBAGLBSA-N 1 0 235.287 -0.958 20 30 BBEDRO C#CCN1CCN(C(=O)[C@H]2CCCN2C=O)CC1 ZINC000827526324 587386098 /nfs/dbraw/zinc/38/60/98/587386098.db2.gz JZGPDPCPECDJEU-GFCCVEGCSA-N 1 0 249.314 -0.615 20 30 BBEDRO C#CCN1CCN(C(=O)[C@@H]2CCCN2C=O)CC1 ZINC000827526326 587386278 /nfs/dbraw/zinc/38/62/78/587386278.db2.gz JZGPDPCPECDJEU-LBPRGKRZSA-N 1 0 249.314 -0.615 20 30 BBEDRO C#CCN1CCN(C(=O)Cc2cnnn2C)CC1 ZINC000827526351 587386190 /nfs/dbraw/zinc/38/61/90/587386190.db2.gz KWFBUERHQBPROZ-UHFFFAOYSA-N 1 0 247.302 -0.865 20 30 BBEDRO C#CCN1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000827526870 587386196 /nfs/dbraw/zinc/38/61/96/587386196.db2.gz QEPXMFAEIOUNSL-UHFFFAOYSA-N 1 0 218.260 -0.199 20 30 BBEDRO C#CCN1CCN(C(=O)[C@](C)(O)C=C)CC1 ZINC000827527194 587386333 /nfs/dbraw/zinc/38/63/33/587386333.db2.gz SVXNCCHUXQPVAW-GFCCVEGCSA-N 1 0 222.288 -0.299 20 30 BBEDRO C#CCN1CCN(C(=O)[C@@](C)(O)C=C)CC1 ZINC000827527195 587386033 /nfs/dbraw/zinc/38/60/33/587386033.db2.gz SVXNCCHUXQPVAW-LBPRGKRZSA-N 1 0 222.288 -0.299 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827587711 587391012 /nfs/dbraw/zinc/39/10/12/587391012.db2.gz WVDRMMJKFDGIFP-ZJUUUORDSA-N 1 0 228.292 -0.942 20 30 BBEDRO CON=CC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000827834082 587404749 /nfs/dbraw/zinc/40/47/49/587404749.db2.gz DXECUEIQTTVICK-UHFFFAOYSA-N 1 0 243.307 -0.466 20 30 BBEDRO C#CCO[C@H](C)C(=O)NCCOCC[NH+](C)C ZINC000827888539 587407475 /nfs/dbraw/zinc/40/74/75/587407475.db2.gz ZLBHYEJEERGUJW-LLVKDONJSA-N 1 0 242.319 -0.281 20 30 BBEDRO C#CCO[C@@H](C)C(=O)NCCOCC[NH+](C)C ZINC000827888545 587407734 /nfs/dbraw/zinc/40/77/34/587407734.db2.gz ZLBHYEJEERGUJW-NSHDSACASA-N 1 0 242.319 -0.281 20 30 BBEDRO C#Cc1cnc(N2CCN(CCO)[C@H](C)C2)nc1 ZINC000827948936 587412554 /nfs/dbraw/zinc/41/25/54/587412554.db2.gz KZRYGIZIZBKDRH-LLVKDONJSA-N 1 0 246.314 -0.039 20 30 BBEDRO C#Cc1cnc(N2CCN(CCO)[C@@H](C)C2)nc1 ZINC000827948939 587412208 /nfs/dbraw/zinc/41/22/08/587412208.db2.gz KZRYGIZIZBKDRH-NSHDSACASA-N 1 0 246.314 -0.039 20 30 BBEDRO CC[C@@](C)(O)C(=O)NCC#CC[NH+](C)C ZINC000827971615 587413831 /nfs/dbraw/zinc/41/38/31/587413831.db2.gz BWAIPWDOCKBCBX-LLVKDONJSA-N 1 0 212.293 -0.171 20 30 BBEDRO CC[C@](C)(O)C(=O)NCC#CC[NH+](C)C ZINC000827971616 587413860 /nfs/dbraw/zinc/41/38/60/587413860.db2.gz BWAIPWDOCKBCBX-NSHDSACASA-N 1 0 212.293 -0.171 20 30 BBEDRO CCn1cc(C(=O)NCC#CC[NH+](C)C)nn1 ZINC000827971645 587413821 /nfs/dbraw/zinc/41/38/21/587413821.db2.gz CSJAOJWKWVFBKL-UHFFFAOYSA-N 1 0 235.291 -0.407 20 30 BBEDRO COc1nccc(C(=O)NCC#CC[NH+](C)C)n1 ZINC000827971697 587413797 /nfs/dbraw/zinc/41/37/97/587413797.db2.gz FJXIREVWFSXMFE-UHFFFAOYSA-N 1 0 248.286 -0.220 20 30 BBEDRO Cn1nc(C(=O)NCC#CC[NH+](C)C)cc1C=O ZINC000827971744 587413871 /nfs/dbraw/zinc/41/38/71/587413871.db2.gz GIAMHFUTVBQEEW-UHFFFAOYSA-N 1 0 248.286 -0.473 20 30 BBEDRO CCC[C@H](O)C(=O)NCC#CC[NH+](C)C ZINC000827971782 587414125 /nfs/dbraw/zinc/41/41/25/587414125.db2.gz HDKKWBMLYRIEPE-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO COc1cc(C(=O)NCC#CC[NH+](C)C)ncn1 ZINC000827971976 587413807 /nfs/dbraw/zinc/41/38/07/587413807.db2.gz NLYWEEOBZUJMSP-UHFFFAOYSA-N 1 0 248.286 -0.220 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCOC1 ZINC000827971989 587414134 /nfs/dbraw/zinc/41/41/34/587414134.db2.gz OBRIUBOHVQGOFL-JTQLQIEISA-N 1 0 210.277 -0.296 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CCOC1 ZINC000827971991 587413827 /nfs/dbraw/zinc/41/38/27/587413827.db2.gz OBRIUBOHVQGOFL-SNVBAGLBSA-N 1 0 210.277 -0.296 20 30 BBEDRO CO[C@@H]1C[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000827972000 587413844 /nfs/dbraw/zinc/41/38/44/587413844.db2.gz OFIPQTOPBDUPAK-NXEZZACHSA-N 1 0 210.277 -0.298 20 30 BBEDRO CN1C(=O)CC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000827972017 587413855 /nfs/dbraw/zinc/41/38/55/587413855.db2.gz OSRYGTKWLCIXAS-SNVBAGLBSA-N 1 0 237.303 -0.712 20 30 BBEDRO C[C@@H]1OCCO[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000827972187 587414140 /nfs/dbraw/zinc/41/41/40/587414140.db2.gz VDQMNRYPDCQWFE-QWRGUYRKSA-N 1 0 240.303 -0.529 20 30 BBEDRO CCn1cc(CC(=O)NCC#CC[NH+](C)C)nn1 ZINC000827972216 587414196 /nfs/dbraw/zinc/41/41/96/587414196.db2.gz WHBLZISRPCSIOI-UHFFFAOYSA-N 1 0 249.318 -0.478 20 30 BBEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N2)CC1 ZINC000828474076 587444451 /nfs/dbraw/zinc/44/44/51/587444451.db2.gz ZIUIVHWOVHMEKH-LLVKDONJSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N2)CC1 ZINC000828474077 587444530 /nfs/dbraw/zinc/44/45/30/587444530.db2.gz ZIUIVHWOVHMEKH-NSHDSACASA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCOCC[N@@H+](C)C[C@H]1COCCO1 ZINC000828549531 587446187 /nfs/dbraw/zinc/44/61/87/587446187.db2.gz DVIKOCGVAVYOAI-NSHDSACASA-N 1 0 213.277 -0.017 20 30 BBEDRO CC1(C(N)=O)C[NH+](CCOCCC#N)C1 ZINC000829075999 587481902 /nfs/dbraw/zinc/48/19/02/587481902.db2.gz XUVUVHXVDYUOLR-UHFFFAOYSA-N 1 0 211.265 -0.276 20 30 BBEDRO CON=CC(=O)Nc1cc2n(n1)CCN(C)C2 ZINC000829405496 587496258 /nfs/dbraw/zinc/49/62/58/587496258.db2.gz DVFIRXMHUOAFDY-UHFFFAOYSA-N 1 0 237.263 -0.101 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000829440583 587497245 /nfs/dbraw/zinc/49/72/45/587497245.db2.gz LHKDCEWNITYNFD-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000829440584 587497107 /nfs/dbraw/zinc/49/71/07/587497107.db2.gz LHKDCEWNITYNFD-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000829440585 587496958 /nfs/dbraw/zinc/49/69/58/587496958.db2.gz LHKDCEWNITYNFD-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000829440586 587497059 /nfs/dbraw/zinc/49/70/59/587497059.db2.gz LHKDCEWNITYNFD-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC(F)(F)CO ZINC000829510677 587501362 /nfs/dbraw/zinc/50/13/62/587501362.db2.gz KLLMRTVSLQHSHQ-UHFFFAOYSA-N 1 0 222.235 -0.152 20 30 BBEDRO C#Cc1cnc(N2CCN(CCO)C[C@H]2C)nc1 ZINC000829578171 587504251 /nfs/dbraw/zinc/50/42/51/587504251.db2.gz WFJKQUZFCGFVRG-LLVKDONJSA-N 1 0 246.314 -0.039 20 30 BBEDRO C#Cc1cnc(N2CCN(CCO)C[C@@H]2C)nc1 ZINC000829578172 587504385 /nfs/dbraw/zinc/50/43/85/587504385.db2.gz WFJKQUZFCGFVRG-NSHDSACASA-N 1 0 246.314 -0.039 20 30 BBEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000829775175 587515260 /nfs/dbraw/zinc/51/52/60/587515260.db2.gz YUFHKTJCMWYFEY-SECBINFHSA-N 1 0 223.276 -0.083 20 30 BBEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000829775176 587515020 /nfs/dbraw/zinc/51/50/20/587515020.db2.gz YUFHKTJCMWYFEY-VIFPVBQESA-N 1 0 223.276 -0.083 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2CC=C(N)N2)CC1 ZINC000829825792 587520829 /nfs/dbraw/zinc/52/08/29/587520829.db2.gz SMJGFRJCJQGWTI-UHFFFAOYSA-N 1 0 234.303 -0.522 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC=C(N)N1 ZINC000829853470 584908032 /nfs/dbraw/zinc/90/80/32/584908032.db2.gz QAZLZONOYJFECH-UHFFFAOYSA-N 1 0 210.281 -0.359 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829998211 587531384 /nfs/dbraw/zinc/53/13/84/587531384.db2.gz JNGXALPKMVMRIS-GFCCVEGCSA-N 1 0 235.287 -0.524 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829998213 645113520 /nfs/dbraw/zinc/11/35/20/645113520.db2.gz JNGXALPKMVMRIS-LBPRGKRZSA-N 1 0 235.287 -0.524 20 30 BBEDRO CON(C)C(=O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829998702 645113722 /nfs/dbraw/zinc/11/37/22/645113722.db2.gz PZUDUHKTEJDNHG-LLVKDONJSA-N 1 0 241.291 -0.253 20 30 BBEDRO CON(C)C(=O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829998704 645113040 /nfs/dbraw/zinc/11/30/40/645113040.db2.gz PZUDUHKTEJDNHG-NSHDSACASA-N 1 0 241.291 -0.253 20 30 BBEDRO COC(C[N@@H+]1CC[C@@](O)(CC#N)C1)OC ZINC000829998854 645113318 /nfs/dbraw/zinc/11/33/18/645113318.db2.gz SGNGKTCMZJOEJC-JTQLQIEISA-N 1 0 214.265 -0.044 20 30 BBEDRO COC(C[N@@H+]1CC[C@](O)(CC#N)C1)OC ZINC000829998855 645113761 /nfs/dbraw/zinc/11/37/61/645113761.db2.gz SGNGKTCMZJOEJC-SNVBAGLBSA-N 1 0 214.265 -0.044 20 30 BBEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000830039253 584908237 /nfs/dbraw/zinc/90/82/37/584908237.db2.gz XNOMTWAKYYEFAA-LURJTMIESA-N 1 0 220.656 -0.255 20 30 BBEDRO C=C(Cl)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000830043057 587533529 /nfs/dbraw/zinc/53/35/29/587533529.db2.gz OXZKHDRZVSHDBT-MRVPVSSYSA-N 1 0 245.710 -0.277 20 30 BBEDRO C=C(Cl)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000830043058 587533281 /nfs/dbraw/zinc/53/32/81/587533281.db2.gz OXZKHDRZVSHDBT-QMMMGPOBSA-N 1 0 245.710 -0.277 20 30 BBEDRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)NCCC#N ZINC000830086179 587535100 /nfs/dbraw/zinc/53/51/00/587535100.db2.gz VKECAXKNCYLOTC-RKDXNWHRSA-N 1 0 227.264 -0.980 20 30 BBEDRO CO[C@@H]1COC[C@H]1[NH2+]CCO[C@@H](C)C#N ZINC000830103506 587535869 /nfs/dbraw/zinc/53/58/69/587535869.db2.gz UHZQMDXCDXGURO-IVZWLZJFSA-N 1 0 214.265 -0.082 20 30 BBEDRO CO[C@@H]1COC[C@H]1[NH2+]CCO[C@H](C)C#N ZINC000830103509 587535624 /nfs/dbraw/zinc/53/56/24/587535624.db2.gz UHZQMDXCDXGURO-OPRDCNLKSA-N 1 0 214.265 -0.082 20 30 BBEDRO CO[C@@H]1COC[C@H]1[NH2+]CCOCCC#N ZINC000830109662 587535959 /nfs/dbraw/zinc/53/59/59/587535959.db2.gz XOGGNLBAULZGGM-NXEZZACHSA-N 1 0 214.265 -0.080 20 30 BBEDRO C#CC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000830304900 587545375 /nfs/dbraw/zinc/54/53/75/587545375.db2.gz BJZBIDWHZYEENW-UHFFFAOYSA-N 1 0 249.314 -0.710 20 30 BBEDRO C#CC1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000830305077 587545281 /nfs/dbraw/zinc/54/52/81/587545281.db2.gz FJZWLCPJRYISGN-UHFFFAOYSA-N 1 0 235.287 -0.117 20 30 BBEDRO C#CC1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000830305200 587545134 /nfs/dbraw/zinc/54/51/34/587545134.db2.gz ISTUEAUFRJJXRH-UHFFFAOYSA-N 1 0 223.276 -0.083 20 30 BBEDRO C#CC1CC[NH+](CC(=O)NC(=O)NC)CC1 ZINC000830305364 645119144 /nfs/dbraw/zinc/11/91/44/645119144.db2.gz MEYDJZLIVPYWFX-UHFFFAOYSA-N 1 0 223.276 -0.213 20 30 BBEDRO C#CC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000830305741 587545325 /nfs/dbraw/zinc/54/53/25/587545325.db2.gz SWKWFRNMZUPGFN-UHFFFAOYSA-N 1 0 209.249 -0.474 20 30 BBEDRO C#CC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000830311724 645119295 /nfs/dbraw/zinc/11/92/95/645119295.db2.gz UCLUZDRRWZHKOM-MRVPVSSYSA-N 1 0 223.276 -0.085 20 30 BBEDRO C#CC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000830311726 645117862 /nfs/dbraw/zinc/11/78/62/645117862.db2.gz UCLUZDRRWZHKOM-QMMMGPOBSA-N 1 0 223.276 -0.085 20 30 BBEDRO C#CC1CC[NH+](CC(=O)NCC(=O)OC)CC1 ZINC000830311790 645118444 /nfs/dbraw/zinc/11/84/44/645118444.db2.gz VEBOWPQUKPMKIE-UHFFFAOYSA-N 1 0 238.287 -0.379 20 30 BBEDRO C#CC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000830321298 587545945 /nfs/dbraw/zinc/54/59/45/587545945.db2.gz FWKIIKZETHSNAG-UHFFFAOYSA-N 1 0 235.287 -0.117 20 30 BBEDRO C#CC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000830321410 587545985 /nfs/dbraw/zinc/54/59/85/587545985.db2.gz KQQBFHWQGXJWEJ-UHFFFAOYSA-N 1 0 230.333 -0.119 20 30 BBEDRO C=C(Cn1nnnc1C[NH3+])C(=O)OCC ZINC000830463307 587552605 /nfs/dbraw/zinc/55/26/05/587552605.db2.gz OUVWHPNQTHUGRE-UHFFFAOYSA-N 1 0 211.225 -0.749 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(CCO)CCCOC ZINC000830614882 587560592 /nfs/dbraw/zinc/56/05/92/587560592.db2.gz QKHZRLAWRCAMCB-UHFFFAOYSA-N 1 0 244.335 -0.038 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)CC(C)(C)CO ZINC000830690235 587564114 /nfs/dbraw/zinc/56/41/14/587564114.db2.gz IFULQVMPPYEPTP-UHFFFAOYSA-N 1 0 212.293 -0.314 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000830778364 587569837 /nfs/dbraw/zinc/56/98/37/587569837.db2.gz LNGDMPRSDNFJPP-GHMZBOCLSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000830778365 587569803 /nfs/dbraw/zinc/56/98/03/587569803.db2.gz LNGDMPRSDNFJPP-MNOVXSKESA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000830778366 587569734 /nfs/dbraw/zinc/56/97/34/587569734.db2.gz LNGDMPRSDNFJPP-QWRGUYRKSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000830778367 587569927 /nfs/dbraw/zinc/56/99/27/587569927.db2.gz LNGDMPRSDNFJPP-WDEREUQCSA-N 1 0 242.319 -0.288 20 30 BBEDRO C#CCC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000830865898 587574888 /nfs/dbraw/zinc/57/48/88/587574888.db2.gz QIWWCCWFQWRVDU-NXEZZACHSA-N 1 0 211.261 -0.135 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000830865900 587574799 /nfs/dbraw/zinc/57/47/99/587574799.db2.gz QIWWCCWFQWRVDU-UWVGGRQHSA-N 1 0 211.261 -0.135 20 30 BBEDRO C#CCC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000830865902 587574676 /nfs/dbraw/zinc/57/46/76/587574676.db2.gz QIWWCCWFQWRVDU-VHSXEESVSA-N 1 0 211.261 -0.135 20 30 BBEDRO C#CCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000830865904 587574564 /nfs/dbraw/zinc/57/45/64/587574564.db2.gz QIWWCCWFQWRVDU-ZJUUUORDSA-N 1 0 211.261 -0.135 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000830979707 587579675 /nfs/dbraw/zinc/57/96/75/587579675.db2.gz BKEHPWBCPPQPQI-ZJUUUORDSA-N 1 0 238.287 -0.333 20 30 BBEDRO C#CCOCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000831065448 587584680 /nfs/dbraw/zinc/58/46/80/587584680.db2.gz OXWUZYZAFWMRTA-LLVKDONJSA-N 1 0 225.292 -0.313 20 30 BBEDRO C#CCOCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000831065449 587584926 /nfs/dbraw/zinc/58/49/26/587584926.db2.gz OXWUZYZAFWMRTA-NSHDSACASA-N 1 0 225.292 -0.313 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831527928 587616608 /nfs/dbraw/zinc/61/66/08/587616608.db2.gz JAURDBVUHTXVFY-JTQLQIEISA-N 1 0 229.255 -0.894 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831527929 587616670 /nfs/dbraw/zinc/61/66/70/587616670.db2.gz JAURDBVUHTXVFY-SNVBAGLBSA-N 1 0 229.255 -0.894 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000831712360 584910766 /nfs/dbraw/zinc/91/07/66/584910766.db2.gz ANDFAURFHDRLSQ-NXEZZACHSA-N 1 0 230.308 -0.384 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000831712361 584910747 /nfs/dbraw/zinc/91/07/47/584910747.db2.gz ANDFAURFHDRLSQ-UWVGGRQHSA-N 1 0 230.308 -0.384 20 30 BBEDRO C=C[C@@H](O)C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000831712366 584910643 /nfs/dbraw/zinc/91/06/43/584910643.db2.gz ANDFAURFHDRLSQ-VHSXEESVSA-N 1 0 230.308 -0.384 20 30 BBEDRO C=C[C@H](O)C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000831712373 584910788 /nfs/dbraw/zinc/91/07/88/584910788.db2.gz ANDFAURFHDRLSQ-ZJUUUORDSA-N 1 0 230.308 -0.384 20 30 BBEDRO CCO[C@H](CNC(=O)C=NOC)C[NH+](C)C ZINC000831720274 587628953 /nfs/dbraw/zinc/62/89/53/587628953.db2.gz ZHCPZXDSFMTBRJ-SECBINFHSA-N 1 0 231.296 -0.299 20 30 BBEDRO CCO[C@@H](CNC(=O)C=NOC)C[NH+](C)C ZINC000831720276 587629171 /nfs/dbraw/zinc/62/91/71/587629171.db2.gz ZHCPZXDSFMTBRJ-VIFPVBQESA-N 1 0 231.296 -0.299 20 30 BBEDRO CCO[C@H](CNC(=O)CC#N)C[NH+](C)C ZINC000831731938 645130822 /nfs/dbraw/zinc/13/08/22/645130822.db2.gz XPFFFMDARARJIJ-SECBINFHSA-N 1 0 213.281 -0.017 20 30 BBEDRO CCO[C@@H](CNC(=O)CC#N)C[NH+](C)C ZINC000831731939 645130594 /nfs/dbraw/zinc/13/05/94/645130594.db2.gz XPFFFMDARARJIJ-VIFPVBQESA-N 1 0 213.281 -0.017 20 30 BBEDRO N#Cc1c[nH]nc1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831789510 587631940 /nfs/dbraw/zinc/63/19/40/587631940.db2.gz OMLUZRKGHKLFOC-SECBINFHSA-N 1 0 223.211 -0.079 20 30 BBEDRO N#Cc1c[nH]nc1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831789522 587632026 /nfs/dbraw/zinc/63/20/26/587632026.db2.gz OMLUZRKGHKLFOC-VIFPVBQESA-N 1 0 223.211 -0.079 20 30 BBEDRO C#CCOCCNC(=O)C1([NH+](C)C)CC1 ZINC000832108743 587645015 /nfs/dbraw/zinc/64/50/15/587645015.db2.gz QAQIEENTJBSLBK-UHFFFAOYSA-N 1 0 210.277 -0.153 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](OC)C1 ZINC000832723054 587680146 /nfs/dbraw/zinc/68/01/46/587680146.db2.gz WKZSLQYPLGLMOX-JTQLQIEISA-N 1 0 228.292 -0.065 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](OC)C1 ZINC000832723055 587680041 /nfs/dbraw/zinc/68/00/41/587680041.db2.gz WKZSLQYPLGLMOX-SNVBAGLBSA-N 1 0 228.292 -0.065 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC1OCCCO1 ZINC000832775082 587688212 /nfs/dbraw/zinc/68/82/12/587688212.db2.gz CWHZPUAVXWLLOG-UHFFFAOYSA-N 1 0 228.292 -0.017 20 30 BBEDRO CON=CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000833551399 587719910 /nfs/dbraw/zinc/71/99/10/587719910.db2.gz BEMCQSOEMWJJGZ-JTQLQIEISA-N 1 0 243.307 -0.418 20 30 BBEDRO CON=CC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000833551400 587719564 /nfs/dbraw/zinc/71/95/64/587719564.db2.gz BEMCQSOEMWJJGZ-SNVBAGLBSA-N 1 0 243.307 -0.418 20 30 BBEDRO CON=CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000834307961 587751100 /nfs/dbraw/zinc/75/11/00/587751100.db2.gz SJIWGRPXPPOWCL-DTWKUNHWSA-N 1 0 211.265 -0.219 20 30 BBEDRO Cn1cnc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834479337 587756003 /nfs/dbraw/zinc/75/60/03/587756003.db2.gz CRMKMHBOBRPTIG-HTQZYQBOSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1cnc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834479338 587756019 /nfs/dbraw/zinc/75/60/19/587756019.db2.gz CRMKMHBOBRPTIG-JGVFFNPUSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1cnc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834479339 587756105 /nfs/dbraw/zinc/75/61/05/587756105.db2.gz CRMKMHBOBRPTIG-SFYZADRCSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1cnc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834479340 584913579 /nfs/dbraw/zinc/91/35/79/584913579.db2.gz CRMKMHBOBRPTIG-YUMQZZPRSA-N 1 0 219.248 -0.739 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccnc1 ZINC000834479587 587756194 /nfs/dbraw/zinc/75/61/94/587756194.db2.gz GHSBGSKIRDHAQN-GHMZBOCLSA-N 1 0 230.271 -0.148 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccnc1 ZINC000834479588 587756044 /nfs/dbraw/zinc/75/60/44/587756044.db2.gz GHSBGSKIRDHAQN-MNOVXSKESA-N 1 0 230.271 -0.148 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccnc1 ZINC000834479589 587756090 /nfs/dbraw/zinc/75/60/90/587756090.db2.gz GHSBGSKIRDHAQN-QWRGUYRKSA-N 1 0 230.271 -0.148 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccnc1 ZINC000834479590 587756148 /nfs/dbraw/zinc/75/61/48/587756148.db2.gz GHSBGSKIRDHAQN-WDEREUQCSA-N 1 0 230.271 -0.148 20 30 BBEDRO COC[C@H](C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834480091 587756023 /nfs/dbraw/zinc/75/60/23/587756023.db2.gz KXSKFNXYOMSCCF-BBBLOLIVSA-N 1 0 225.292 -0.113 20 30 BBEDRO COC[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834480092 587756263 /nfs/dbraw/zinc/75/62/63/587756263.db2.gz KXSKFNXYOMSCCF-KXUCPTDWSA-N 1 0 225.292 -0.113 20 30 BBEDRO COC[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834480094 587756056 /nfs/dbraw/zinc/75/60/56/587756056.db2.gz KXSKFNXYOMSCCF-OPRDCNLKSA-N 1 0 225.292 -0.113 20 30 BBEDRO COC[C@H](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834480095 587756235 /nfs/dbraw/zinc/75/62/35/587756235.db2.gz KXSKFNXYOMSCCF-UTLUCORTSA-N 1 0 225.292 -0.113 20 30 BBEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1cnn(C)c1 ZINC000834480413 587756481 /nfs/dbraw/zinc/75/64/81/587756481.db2.gz PRSGOMNXLDINRF-ATZCPNFKSA-N 1 0 247.302 -0.249 20 30 BBEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1cnn(C)c1 ZINC000834480414 587756388 /nfs/dbraw/zinc/75/63/88/587756388.db2.gz PRSGOMNXLDINRF-IQJOONFLSA-N 1 0 247.302 -0.249 20 30 BBEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)c1cnn(C)c1 ZINC000834480415 587756398 /nfs/dbraw/zinc/75/63/98/587756398.db2.gz PRSGOMNXLDINRF-NGZCFLSTSA-N 1 0 247.302 -0.249 20 30 BBEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1cnn(C)c1 ZINC000834480416 587756367 /nfs/dbraw/zinc/75/63/67/587756367.db2.gz PRSGOMNXLDINRF-QXEWZRGKSA-N 1 0 247.302 -0.249 20 30 BBEDRO CCC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)COC1 ZINC000834480513 587756347 /nfs/dbraw/zinc/75/63/47/587756347.db2.gz RFHGQZFSQRHCIM-BDAKNGLRSA-N 1 0 223.276 -0.359 20 30 BBEDRO CCC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)COC1 ZINC000834480514 587756424 /nfs/dbraw/zinc/75/64/24/587756424.db2.gz RFHGQZFSQRHCIM-DTWKUNHWSA-N 1 0 223.276 -0.359 20 30 BBEDRO CCC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)COC1 ZINC000834480515 587756422 /nfs/dbraw/zinc/75/64/22/587756422.db2.gz RFHGQZFSQRHCIM-IUCAKERBSA-N 1 0 223.276 -0.359 20 30 BBEDRO CCC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)COC1 ZINC000834480516 587756326 /nfs/dbraw/zinc/75/63/26/587756326.db2.gz RFHGQZFSQRHCIM-RKDXNWHRSA-N 1 0 223.276 -0.359 20 30 BBEDRO Cc1ncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)[nH]1 ZINC000834484349 645143402 /nfs/dbraw/zinc/14/34/02/645143402.db2.gz HMVPAMBCDLCEIM-HTQZYQBOSA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1ncc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)[nH]1 ZINC000834484350 645143262 /nfs/dbraw/zinc/14/32/62/645143262.db2.gz HMVPAMBCDLCEIM-JGVFFNPUSA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1ncc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)[nH]1 ZINC000834484351 645143892 /nfs/dbraw/zinc/14/38/92/645143892.db2.gz HMVPAMBCDLCEIM-SFYZADRCSA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1ncc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)[nH]1 ZINC000834484352 645143555 /nfs/dbraw/zinc/14/35/55/645143555.db2.gz HMVPAMBCDLCEIM-YUMQZZPRSA-N 1 0 219.248 -0.441 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cscn1 ZINC000834484369 645143842 /nfs/dbraw/zinc/14/38/42/645143842.db2.gz HYEOFUDCFBLIRP-BQBZGAKWSA-N 1 0 222.273 -0.016 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cscn1 ZINC000834484370 645143790 /nfs/dbraw/zinc/14/37/90/645143790.db2.gz HYEOFUDCFBLIRP-NKWVEPMBSA-N 1 0 222.273 -0.016 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cscn1 ZINC000834484371 645143315 /nfs/dbraw/zinc/14/33/15/645143315.db2.gz HYEOFUDCFBLIRP-RNFRBKRXSA-N 1 0 222.273 -0.016 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cscn1 ZINC000834484372 645142851 /nfs/dbraw/zinc/14/28/51/645142851.db2.gz HYEOFUDCFBLIRP-RQJHMYQMSA-N 1 0 222.273 -0.016 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnn2c1CCC2 ZINC000834484741 587756671 /nfs/dbraw/zinc/75/66/71/587756671.db2.gz MKYCBQCLIDRBKT-PSASIEDQSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn2c1CCC2 ZINC000834484742 587756504 /nfs/dbraw/zinc/75/65/04/587756504.db2.gz MKYCBQCLIDRBKT-SCZZXKLOSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnn2c1CCC2 ZINC000834484743 587756806 /nfs/dbraw/zinc/75/68/06/587756806.db2.gz MKYCBQCLIDRBKT-WCBMZHEXSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn2c1CCC2 ZINC000834484744 587756487 /nfs/dbraw/zinc/75/64/87/587756487.db2.gz MKYCBQCLIDRBKT-WPRPVWTQSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cocn1 ZINC000834484869 587756673 /nfs/dbraw/zinc/75/66/73/587756673.db2.gz OKXSIGICAFSUSE-BQBZGAKWSA-N 1 0 206.205 -0.484 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cocn1 ZINC000834484870 587755587 /nfs/dbraw/zinc/75/55/87/587755587.db2.gz OKXSIGICAFSUSE-NKWVEPMBSA-N 1 0 206.205 -0.484 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cocn1 ZINC000834484871 587755642 /nfs/dbraw/zinc/75/56/42/587755642.db2.gz OKXSIGICAFSUSE-RNFRBKRXSA-N 1 0 206.205 -0.484 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cocn1 ZINC000834484872 587755567 /nfs/dbraw/zinc/75/55/67/587755567.db2.gz OKXSIGICAFSUSE-RQJHMYQMSA-N 1 0 206.205 -0.484 20 30 BBEDRO Cc1ncc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(C)n1 ZINC000834485032 587756575 /nfs/dbraw/zinc/75/65/75/587756575.db2.gz QYIWPCGMJAKQGA-GXSJLCMTSA-N 1 0 245.286 -0.065 20 30 BBEDRO Cc1ncc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(C)n1 ZINC000834485033 587756567 /nfs/dbraw/zinc/75/65/67/587756567.db2.gz QYIWPCGMJAKQGA-KOLCDFICSA-N 1 0 245.286 -0.065 20 30 BBEDRO Cc1ncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(C)n1 ZINC000834485034 587756727 /nfs/dbraw/zinc/75/67/27/587756727.db2.gz QYIWPCGMJAKQGA-MWLCHTKSSA-N 1 0 245.286 -0.065 20 30 BBEDRO Cc1ncc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(C)n1 ZINC000834485035 587756502 /nfs/dbraw/zinc/75/65/02/587756502.db2.gz QYIWPCGMJAKQGA-ONGXEEELSA-N 1 0 245.286 -0.065 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(N)cn1 ZINC000834485615 587756624 /nfs/dbraw/zinc/75/66/24/587756624.db2.gz ZJUUUSHQNCFYAO-GMSGAONNSA-N 1 0 231.259 -0.495 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(N)cn1 ZINC000834485616 587756660 /nfs/dbraw/zinc/75/66/60/587756660.db2.gz ZJUUUSHQNCFYAO-OIBJUYFYSA-N 1 0 231.259 -0.495 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(N)cn1 ZINC000834485617 587756489 /nfs/dbraw/zinc/75/64/89/587756489.db2.gz ZJUUUSHQNCFYAO-XCBNKYQSSA-N 1 0 231.259 -0.495 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(N)cn1 ZINC000834485618 587756698 /nfs/dbraw/zinc/75/66/98/587756698.db2.gz ZJUUUSHQNCFYAO-XVKPBYJWSA-N 1 0 231.259 -0.495 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ncccn1 ZINC000834488273 587756869 /nfs/dbraw/zinc/75/68/69/587756869.db2.gz BFQWGRVZBHECOT-HTQZYQBOSA-N 1 0 217.232 -0.682 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ncccn1 ZINC000834488274 587756694 /nfs/dbraw/zinc/75/66/94/587756694.db2.gz BFQWGRVZBHECOT-JGVFFNPUSA-N 1 0 217.232 -0.682 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ncccn1 ZINC000834488275 587756753 /nfs/dbraw/zinc/75/67/53/587756753.db2.gz BFQWGRVZBHECOT-SFYZADRCSA-N 1 0 217.232 -0.682 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ncccn1 ZINC000834488276 587756573 /nfs/dbraw/zinc/75/65/73/587756573.db2.gz BFQWGRVZBHECOT-YUMQZZPRSA-N 1 0 217.232 -0.682 20 30 BBEDRO CCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834488626 587756875 /nfs/dbraw/zinc/75/68/75/587756875.db2.gz FKPQSLBGCQBWFA-PSASIEDQSA-N 1 0 233.275 -0.256 20 30 BBEDRO CCn1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834488627 587756626 /nfs/dbraw/zinc/75/66/26/587756626.db2.gz FKPQSLBGCQBWFA-SCZZXKLOSA-N 1 0 233.275 -0.256 20 30 BBEDRO CCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834488628 587756563 /nfs/dbraw/zinc/75/65/63/587756563.db2.gz FKPQSLBGCQBWFA-WCBMZHEXSA-N 1 0 233.275 -0.256 20 30 BBEDRO CCn1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834488629 587756598 /nfs/dbraw/zinc/75/65/98/587756598.db2.gz FKPQSLBGCQBWFA-WPRPVWTQSA-N 1 0 233.275 -0.256 20 30 BBEDRO Cc1[nH]nc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1C ZINC000834489480 587756967 /nfs/dbraw/zinc/75/69/67/587756967.db2.gz MUDJMEGCQMQSIU-BDAKNGLRSA-N 1 0 233.275 -0.132 20 30 BBEDRO Cc1[nH]nc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1C ZINC000834489481 587757115 /nfs/dbraw/zinc/75/71/15/587757115.db2.gz MUDJMEGCQMQSIU-DTWKUNHWSA-N 1 0 233.275 -0.132 20 30 BBEDRO Cc1[nH]nc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1C ZINC000834489482 587756995 /nfs/dbraw/zinc/75/69/95/587756995.db2.gz MUDJMEGCQMQSIU-IUCAKERBSA-N 1 0 233.275 -0.132 20 30 BBEDRO Cc1[nH]nc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1C ZINC000834489483 587756899 /nfs/dbraw/zinc/75/68/99/587756899.db2.gz MUDJMEGCQMQSIU-RKDXNWHRSA-N 1 0 233.275 -0.132 20 30 BBEDRO Cc1nccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000834489872 587757183 /nfs/dbraw/zinc/75/71/83/587757183.db2.gz QKRHLERRDVLNNK-PSASIEDQSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1nccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000834489873 587756984 /nfs/dbraw/zinc/75/69/84/587756984.db2.gz QKRHLERRDVLNNK-SCZZXKLOSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1nccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000834489874 587757251 /nfs/dbraw/zinc/75/72/51/587757251.db2.gz QKRHLERRDVLNNK-WCBMZHEXSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1nccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000834489875 587757007 /nfs/dbraw/zinc/75/70/07/587757007.db2.gz QKRHLERRDVLNNK-WPRPVWTQSA-N 1 0 231.259 -0.374 20 30 BBEDRO COc1ncc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834489881 587756883 /nfs/dbraw/zinc/75/68/83/587756883.db2.gz QMQCTQUXTQHEQO-APPZFPTMSA-N 1 0 247.258 -0.673 20 30 BBEDRO COc1ncc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834489882 587757193 /nfs/dbraw/zinc/75/71/93/587757193.db2.gz QMQCTQUXTQHEQO-CBAPKCEASA-N 1 0 247.258 -0.673 20 30 BBEDRO COc1ncc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834489883 587757195 /nfs/dbraw/zinc/75/71/95/587757195.db2.gz QMQCTQUXTQHEQO-IONNQARKSA-N 1 0 247.258 -0.673 20 30 BBEDRO COc1ncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834489884 587757113 /nfs/dbraw/zinc/75/71/13/587757113.db2.gz QMQCTQUXTQHEQO-VXNVDRBHSA-N 1 0 247.258 -0.673 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1n[nH]c2c1CCC2 ZINC000834490092 587756998 /nfs/dbraw/zinc/75/69/98/587756998.db2.gz RUAQTZSWICTJCR-GMSGAONNSA-N 1 0 245.286 -0.260 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1n[nH]c2c1CCC2 ZINC000834490093 587757118 /nfs/dbraw/zinc/75/71/18/587757118.db2.gz RUAQTZSWICTJCR-OIBJUYFYSA-N 1 0 245.286 -0.260 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1n[nH]c2c1CCC2 ZINC000834490094 587757015 /nfs/dbraw/zinc/75/70/15/587757015.db2.gz RUAQTZSWICTJCR-XCBNKYQSSA-N 1 0 245.286 -0.260 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1n[nH]c2c1CCC2 ZINC000834490095 587757133 /nfs/dbraw/zinc/75/71/33/587757133.db2.gz RUAQTZSWICTJCR-XVKPBYJWSA-N 1 0 245.286 -0.260 20 30 BBEDRO CCc1ncncc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834490966 587756931 /nfs/dbraw/zinc/75/69/31/587756931.db2.gz YQTSIBQAZOAFFH-GZMMTYOYSA-N 1 0 245.286 -0.120 20 30 BBEDRO CCc1ncncc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834490967 587756980 /nfs/dbraw/zinc/75/69/80/587756980.db2.gz YQTSIBQAZOAFFH-KCJUWKMLSA-N 1 0 245.286 -0.120 20 30 BBEDRO CCc1ncncc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834490968 587757249 /nfs/dbraw/zinc/75/72/49/587757249.db2.gz YQTSIBQAZOAFFH-KWQFWETISA-N 1 0 245.286 -0.120 20 30 BBEDRO CCc1ncncc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834490969 587757151 /nfs/dbraw/zinc/75/71/51/587757151.db2.gz YQTSIBQAZOAFFH-LDYMZIIASA-N 1 0 245.286 -0.120 20 30 BBEDRO Cn1cc(CCC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834491009 587757191 /nfs/dbraw/zinc/75/71/91/587757191.db2.gz ZFWZQKXQHJEREG-GHMZBOCLSA-N 1 0 247.302 -0.420 20 30 BBEDRO Cn1cc(CCC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834491010 587757030 /nfs/dbraw/zinc/75/70/30/587757030.db2.gz ZFWZQKXQHJEREG-MNOVXSKESA-N 1 0 247.302 -0.420 20 30 BBEDRO Cn1cc(CCC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834491012 587757013 /nfs/dbraw/zinc/75/70/13/587757013.db2.gz ZFWZQKXQHJEREG-QWRGUYRKSA-N 1 0 247.302 -0.420 20 30 BBEDRO Cn1cc(CCC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834491013 587757214 /nfs/dbraw/zinc/75/72/14/587757214.db2.gz ZFWZQKXQHJEREG-WDEREUQCSA-N 1 0 247.302 -0.420 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n(C)n1 ZINC000834491028 587757099 /nfs/dbraw/zinc/75/70/99/587757099.db2.gz ZLQVCCUDUMQVAV-BDAKNGLRSA-N 1 0 233.275 -0.430 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n(C)n1 ZINC000834491032 587757220 /nfs/dbraw/zinc/75/72/20/587757220.db2.gz ZLQVCCUDUMQVAV-DTWKUNHWSA-N 1 0 233.275 -0.430 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n(C)n1 ZINC000834491034 587756993 /nfs/dbraw/zinc/75/69/93/587756993.db2.gz ZLQVCCUDUMQVAV-IUCAKERBSA-N 1 0 233.275 -0.430 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n(C)n1 ZINC000834491036 587756916 /nfs/dbraw/zinc/75/69/16/587756916.db2.gz ZLQVCCUDUMQVAV-RKDXNWHRSA-N 1 0 233.275 -0.430 20 30 BBEDRO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834493123 587756939 /nfs/dbraw/zinc/75/69/39/587756939.db2.gz AWNROKJKSSLNQG-BZNPZCIMSA-N 1 0 237.259 -0.977 20 30 BBEDRO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834493124 587757218 /nfs/dbraw/zinc/75/72/18/587757218.db2.gz AWNROKJKSSLNQG-MAUMQABQSA-N 1 0 237.259 -0.977 20 30 BBEDRO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834493125 587756987 /nfs/dbraw/zinc/75/69/87/587756987.db2.gz AWNROKJKSSLNQG-RBXMUDONSA-N 1 0 237.259 -0.977 20 30 BBEDRO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834493126 587757136 /nfs/dbraw/zinc/75/71/36/587757136.db2.gz AWNROKJKSSLNQG-XAVMHZPKSA-N 1 0 237.259 -0.977 20 30 BBEDRO Cn1nccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834493147 587757066 /nfs/dbraw/zinc/75/70/66/587757066.db2.gz BBSJXJTVHSPOQD-HTQZYQBOSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1nccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834493148 587757081 /nfs/dbraw/zinc/75/70/81/587757081.db2.gz BBSJXJTVHSPOQD-JGVFFNPUSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1nccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834493149 587757269 /nfs/dbraw/zinc/75/72/69/587757269.db2.gz BBSJXJTVHSPOQD-SFYZADRCSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1nccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834493150 587756965 /nfs/dbraw/zinc/75/69/65/587756965.db2.gz BBSJXJTVHSPOQD-YUMQZZPRSA-N 1 0 219.248 -0.739 20 30 BBEDRO CCOCCOCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834493489 587757046 /nfs/dbraw/zinc/75/70/46/587757046.db2.gz DTVJJRCSUHVPJG-NXEZZACHSA-N 1 0 241.291 -0.733 20 30 BBEDRO CCOCCOCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834493490 587757091 /nfs/dbraw/zinc/75/70/91/587757091.db2.gz DTVJJRCSUHVPJG-UWVGGRQHSA-N 1 0 241.291 -0.733 20 30 BBEDRO CCOCCOCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834493491 587756945 /nfs/dbraw/zinc/75/69/45/587756945.db2.gz DTVJJRCSUHVPJG-VHSXEESVSA-N 1 0 241.291 -0.733 20 30 BBEDRO CCOCCOCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834493492 587756937 /nfs/dbraw/zinc/75/69/37/587756937.db2.gz DTVJJRCSUHVPJG-ZJUUUORDSA-N 1 0 241.291 -0.733 20 30 BBEDRO COCCOCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834493825 587757162 /nfs/dbraw/zinc/75/71/62/587757162.db2.gz HUBQOKKZHVPYCU-NXEZZACHSA-N 1 0 241.291 -0.733 20 30 BBEDRO COCCOCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834493826 587757243 /nfs/dbraw/zinc/75/72/43/587757243.db2.gz HUBQOKKZHVPYCU-UWVGGRQHSA-N 1 0 241.291 -0.733 20 30 BBEDRO COCCOCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834493827 587756914 /nfs/dbraw/zinc/75/69/14/587756914.db2.gz HUBQOKKZHVPYCU-VHSXEESVSA-N 1 0 241.291 -0.733 20 30 BBEDRO COCCOCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834493828 587757058 /nfs/dbraw/zinc/75/70/58/587757058.db2.gz HUBQOKKZHVPYCU-ZJUUUORDSA-N 1 0 241.291 -0.733 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)[nH]n1 ZINC000834493861 587757181 /nfs/dbraw/zinc/75/71/81/587757181.db2.gz IGAZCZNVOXZOAO-APPZFPTMSA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)[nH]n1 ZINC000834493862 587757123 /nfs/dbraw/zinc/75/71/23/587757123.db2.gz IGAZCZNVOXZOAO-CBAPKCEASA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)[nH]n1 ZINC000834493863 587757164 /nfs/dbraw/zinc/75/71/64/587757164.db2.gz IGAZCZNVOXZOAO-IONNQARKSA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)[nH]n1 ZINC000834493864 587756912 /nfs/dbraw/zinc/75/69/12/587756912.db2.gz IGAZCZNVOXZOAO-VXNVDRBHSA-N 1 0 219.248 -0.441 20 30 BBEDRO C=CCCOCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834493909 587757257 /nfs/dbraw/zinc/75/72/57/587757257.db2.gz IQNGHZUNNSVAER-NXEZZACHSA-N 1 0 223.276 -0.193 20 30 BBEDRO C=CCCOCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834493910 587755804 /nfs/dbraw/zinc/75/58/04/587755804.db2.gz IQNGHZUNNSVAER-UWVGGRQHSA-N 1 0 223.276 -0.193 20 30 BBEDRO C=CCCOCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834493911 587755903 /nfs/dbraw/zinc/75/59/03/587755903.db2.gz IQNGHZUNNSVAER-VHSXEESVSA-N 1 0 223.276 -0.193 20 30 BBEDRO C=CCCOCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834493912 587755971 /nfs/dbraw/zinc/75/59/71/587755971.db2.gz IQNGHZUNNSVAER-ZJUUUORDSA-N 1 0 223.276 -0.193 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCCn1cccn1 ZINC000834494195 587756974 /nfs/dbraw/zinc/75/69/74/587756974.db2.gz LQEKVULUZHRZHW-GHMZBOCLSA-N 1 0 247.302 -0.109 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCCn1cccn1 ZINC000834494196 587757056 /nfs/dbraw/zinc/75/70/56/587757056.db2.gz LQEKVULUZHRZHW-MNOVXSKESA-N 1 0 247.302 -0.109 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCCn1cccn1 ZINC000834494197 587757155 /nfs/dbraw/zinc/75/71/55/587757155.db2.gz LQEKVULUZHRZHW-QWRGUYRKSA-N 1 0 247.302 -0.109 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCCn1cccn1 ZINC000834494198 587757073 /nfs/dbraw/zinc/75/70/73/587757073.db2.gz LQEKVULUZHRZHW-WDEREUQCSA-N 1 0 247.302 -0.109 20 30 BBEDRO Cc1ocnc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834494457 587757631 /nfs/dbraw/zinc/75/76/31/587757631.db2.gz NFOOZKXSRMRRHT-HTQZYQBOSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1ocnc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834494458 587757444 /nfs/dbraw/zinc/75/74/44/587757444.db2.gz NFOOZKXSRMRRHT-JGVFFNPUSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1ocnc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834494459 587757592 /nfs/dbraw/zinc/75/75/92/587757592.db2.gz NFOOZKXSRMRRHT-SFYZADRCSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1ocnc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834494460 587757548 /nfs/dbraw/zinc/75/75/48/587757548.db2.gz NFOOZKXSRMRRHT-YUMQZZPRSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1cnn(CCC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834494593 587757511 /nfs/dbraw/zinc/75/75/11/587757511.db2.gz OKINIIBUUIKGTB-GHMZBOCLSA-N 1 0 247.302 -0.191 20 30 BBEDRO Cc1cnn(CCC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834494594 587757279 /nfs/dbraw/zinc/75/72/79/587757279.db2.gz OKINIIBUUIKGTB-MNOVXSKESA-N 1 0 247.302 -0.191 20 30 BBEDRO Cc1cnn(CCC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834494595 587757450 /nfs/dbraw/zinc/75/74/50/587757450.db2.gz OKINIIBUUIKGTB-QWRGUYRKSA-N 1 0 247.302 -0.191 20 30 BBEDRO Cc1cnn(CCC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834494596 587757362 /nfs/dbraw/zinc/75/73/62/587757362.db2.gz OKINIIBUUIKGTB-WDEREUQCSA-N 1 0 247.302 -0.191 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H](N)C(F)(F)F ZINC000834494849 587757330 /nfs/dbraw/zinc/75/73/30/587757330.db2.gz QFJOIJIDFVGSOT-HSUXUTPPSA-N 1 0 236.197 -0.896 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H](N)C(F)(F)F ZINC000834494850 587757555 /nfs/dbraw/zinc/75/75/55/587757555.db2.gz QFJOIJIDFVGSOT-NGJCXOISSA-N 1 0 236.197 -0.896 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H](N)C(F)(F)F ZINC000834494851 587757351 /nfs/dbraw/zinc/75/73/51/587757351.db2.gz QFJOIJIDFVGSOT-PBXRRBTRSA-N 1 0 236.197 -0.896 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H](N)C(F)(F)F ZINC000834494852 587757625 /nfs/dbraw/zinc/75/76/25/587757625.db2.gz QFJOIJIDFVGSOT-SRQIZXRXSA-N 1 0 236.197 -0.896 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(N)cc1O ZINC000834494857 587757647 /nfs/dbraw/zinc/75/76/47/587757647.db2.gz QGGOWQGRRLWFCV-GMSGAONNSA-N 1 0 246.270 -0.184 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(N)cc1O ZINC000834494858 587757366 /nfs/dbraw/zinc/75/73/66/587757366.db2.gz QGGOWQGRRLWFCV-OIBJUYFYSA-N 1 0 246.270 -0.184 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(N)cc1O ZINC000834494859 587757325 /nfs/dbraw/zinc/75/73/25/587757325.db2.gz QGGOWQGRRLWFCV-XCBNKYQSSA-N 1 0 246.270 -0.184 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(N)cc1O ZINC000834494860 587757607 /nfs/dbraw/zinc/75/76/07/587757607.db2.gz QGGOWQGRRLWFCV-XVKPBYJWSA-N 1 0 246.270 -0.184 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCOC1 ZINC000834494861 587757406 /nfs/dbraw/zinc/75/74/06/587757406.db2.gz QGNPNVRLUWVUSF-AEJSXWLSSA-N 1 0 223.276 -0.359 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCOC1 ZINC000834494862 587757536 /nfs/dbraw/zinc/75/75/36/587757536.db2.gz QGNPNVRLUWVUSF-BBBLOLIVSA-N 1 0 223.276 -0.359 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCOC1 ZINC000834494863 587757572 /nfs/dbraw/zinc/75/75/72/587757572.db2.gz QGNPNVRLUWVUSF-IVZWLZJFSA-N 1 0 223.276 -0.359 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC000834494864 587757358 /nfs/dbraw/zinc/75/73/58/587757358.db2.gz QGNPNVRLUWVUSF-OPRDCNLKSA-N 1 0 223.276 -0.359 20 30 BBEDRO Cc1cnn(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834495114 587757597 /nfs/dbraw/zinc/75/75/97/587757597.db2.gz SBZFZBANGYFGFD-NXEZZACHSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1cnn(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834495116 587757309 /nfs/dbraw/zinc/75/73/09/587757309.db2.gz SBZFZBANGYFGFD-UWVGGRQHSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1cnn(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834495118 587757493 /nfs/dbraw/zinc/75/74/93/587757493.db2.gz SBZFZBANGYFGFD-VHSXEESVSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1cnn(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834495119 587757401 /nfs/dbraw/zinc/75/74/01/587757401.db2.gz SBZFZBANGYFGFD-ZJUUUORDSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)nc(C)n1 ZINC000834499079 587757311 /nfs/dbraw/zinc/75/73/11/587757311.db2.gz FCAXBFIFPQBKIG-GXSJLCMTSA-N 1 0 245.286 -0.065 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)nc(C)n1 ZINC000834499080 587757639 /nfs/dbraw/zinc/75/76/39/587757639.db2.gz FCAXBFIFPQBKIG-KOLCDFICSA-N 1 0 245.286 -0.065 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)nc(C)n1 ZINC000834499081 587757517 /nfs/dbraw/zinc/75/75/17/587757517.db2.gz FCAXBFIFPQBKIG-MWLCHTKSSA-N 1 0 245.286 -0.065 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)nc(C)n1 ZINC000834499082 587757590 /nfs/dbraw/zinc/75/75/90/587757590.db2.gz FCAXBFIFPQBKIG-ONGXEEELSA-N 1 0 245.286 -0.065 20 30 BBEDRO CCn1nccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834499177 587757519 /nfs/dbraw/zinc/75/75/19/587757519.db2.gz FPFOXRRNBBFLOT-BDAKNGLRSA-N 1 0 233.275 -0.256 20 30 BBEDRO CCn1nccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834499178 587757374 /nfs/dbraw/zinc/75/73/74/587757374.db2.gz FPFOXRRNBBFLOT-DTWKUNHWSA-N 1 0 233.275 -0.256 20 30 BBEDRO CCn1nccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834499179 587757544 /nfs/dbraw/zinc/75/75/44/587757544.db2.gz FPFOXRRNBBFLOT-IUCAKERBSA-N 1 0 233.275 -0.256 20 30 BBEDRO CCn1nccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834499180 587757298 /nfs/dbraw/zinc/75/72/98/587757298.db2.gz FPFOXRRNBBFLOT-RKDXNWHRSA-N 1 0 233.275 -0.256 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCn1cccn1 ZINC000834499564 587757612 /nfs/dbraw/zinc/75/76/12/587757612.db2.gz JRRBZWDYFXKSJG-NXEZZACHSA-N 1 0 233.275 -0.499 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCn1cccn1 ZINC000834499565 587757323 /nfs/dbraw/zinc/75/73/23/587757323.db2.gz JRRBZWDYFXKSJG-UWVGGRQHSA-N 1 0 233.275 -0.499 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCn1cccn1 ZINC000834499566 587757434 /nfs/dbraw/zinc/75/74/34/587757434.db2.gz JRRBZWDYFXKSJG-VHSXEESVSA-N 1 0 233.275 -0.499 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCn1cccn1 ZINC000834499567 587757614 /nfs/dbraw/zinc/75/76/14/587757614.db2.gz JRRBZWDYFXKSJG-ZJUUUORDSA-N 1 0 233.275 -0.499 20 30 BBEDRO Cc1cc(C)n(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000834499568 587757540 /nfs/dbraw/zinc/75/75/40/587757540.db2.gz JRXGZEWVXYTWSU-GHMZBOCLSA-N 1 0 247.302 -0.272 20 30 BBEDRO Cc1cc(C)n(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000834499569 587757538 /nfs/dbraw/zinc/75/75/38/587757538.db2.gz JRXGZEWVXYTWSU-MNOVXSKESA-N 1 0 247.302 -0.272 20 30 BBEDRO Cc1cc(C)n(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000834499570 587757369 /nfs/dbraw/zinc/75/73/69/587757369.db2.gz JRXGZEWVXYTWSU-QWRGUYRKSA-N 1 0 247.302 -0.272 20 30 BBEDRO Cc1cc(C)n(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000834499571 587757599 /nfs/dbraw/zinc/75/75/99/587757599.db2.gz JRXGZEWVXYTWSU-WDEREUQCSA-N 1 0 247.302 -0.272 20 30 BBEDRO Cn1nccc1CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834499580 587757579 /nfs/dbraw/zinc/75/75/79/587757579.db2.gz JXDFDDSQILKRRX-GXSJLCMTSA-N 1 0 247.302 -0.420 20 30 BBEDRO Cn1nccc1CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834499581 587757442 /nfs/dbraw/zinc/75/74/42/587757442.db2.gz JXDFDDSQILKRRX-KOLCDFICSA-N 1 0 247.302 -0.420 20 30 BBEDRO Cn1nccc1CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834499582 587757339 /nfs/dbraw/zinc/75/73/39/587757339.db2.gz JXDFDDSQILKRRX-MWLCHTKSSA-N 1 0 247.302 -0.420 20 30 BBEDRO Cn1nccc1CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834499583 587757574 /nfs/dbraw/zinc/75/75/74/587757574.db2.gz JXDFDDSQILKRRX-ONGXEEELSA-N 1 0 247.302 -0.420 20 30 BBEDRO Cn1cncc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834499597 587757385 /nfs/dbraw/zinc/75/73/85/587757385.db2.gz KGRXSQJNEXSRLJ-HTQZYQBOSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1cncc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834499598 587757295 /nfs/dbraw/zinc/75/72/95/587757295.db2.gz KGRXSQJNEXSRLJ-JGVFFNPUSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1cncc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834499599 587757371 /nfs/dbraw/zinc/75/73/71/587757371.db2.gz KGRXSQJNEXSRLJ-SFYZADRCSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1cncc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834499600 584913752 /nfs/dbraw/zinc/91/37/52/584913752.db2.gz KGRXSQJNEXSRLJ-YUMQZZPRSA-N 1 0 219.248 -0.739 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@H]1CCCO1 ZINC000834499661 587757812 /nfs/dbraw/zinc/75/78/12/587757812.db2.gz LAMSBNXFGVOYMF-BBBLOLIVSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC000834499662 587758027 /nfs/dbraw/zinc/75/80/27/587758027.db2.gz LAMSBNXFGVOYMF-KXUCPTDWSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@H]1CCCO1 ZINC000834499663 587757873 /nfs/dbraw/zinc/75/78/73/587757873.db2.gz LAMSBNXFGVOYMF-OPRDCNLKSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]1CCCO1 ZINC000834499664 587757698 /nfs/dbraw/zinc/75/76/98/587757698.db2.gz LAMSBNXFGVOYMF-UTLUCORTSA-N 1 0 223.276 -0.217 20 30 BBEDRO Cc1c[nH]cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1=O ZINC000834499745 587757951 /nfs/dbraw/zinc/75/79/51/587757951.db2.gz MFTHRZYGKJAZDH-PSASIEDQSA-N 1 0 246.270 -0.475 20 30 BBEDRO Cc1c[nH]cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1=O ZINC000834499746 587757901 /nfs/dbraw/zinc/75/79/01/587757901.db2.gz MFTHRZYGKJAZDH-SCZZXKLOSA-N 1 0 246.270 -0.475 20 30 BBEDRO Cc1c[nH]cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1=O ZINC000834499747 587757761 /nfs/dbraw/zinc/75/77/61/587757761.db2.gz MFTHRZYGKJAZDH-WCBMZHEXSA-N 1 0 246.270 -0.475 20 30 BBEDRO Cc1c[nH]cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1=O ZINC000834499748 587757773 /nfs/dbraw/zinc/75/77/73/587757773.db2.gz MFTHRZYGKJAZDH-WPRPVWTQSA-N 1 0 246.270 -0.475 20 30 BBEDRO Cc1n[nH]cc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834500300 587757712 /nfs/dbraw/zinc/75/77/12/587757712.db2.gz RVJNPXSMDMVHBH-APPZFPTMSA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1n[nH]cc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834500301 587757810 /nfs/dbraw/zinc/75/78/10/587757810.db2.gz RVJNPXSMDMVHBH-CBAPKCEASA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1n[nH]cc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834500302 587757745 /nfs/dbraw/zinc/75/77/45/587757745.db2.gz RVJNPXSMDMVHBH-IONNQARKSA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1n[nH]cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834500303 587757721 /nfs/dbraw/zinc/75/77/21/587757721.db2.gz RVJNPXSMDMVHBH-VXNVDRBHSA-N 1 0 219.248 -0.441 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCOCC(F)F ZINC000834504565 587757756 /nfs/dbraw/zinc/75/77/56/587757756.db2.gz CDHGNIYHFLHFSG-HTQZYQBOSA-N 1 0 247.245 -0.114 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCOCC(F)F ZINC000834504567 587757858 /nfs/dbraw/zinc/75/78/58/587757858.db2.gz CDHGNIYHFLHFSG-JGVFFNPUSA-N 1 0 247.245 -0.114 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCOCC(F)F ZINC000834504568 587757814 /nfs/dbraw/zinc/75/78/14/587757814.db2.gz CDHGNIYHFLHFSG-SFYZADRCSA-N 1 0 247.245 -0.114 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCOCC(F)F ZINC000834504569 587757787 /nfs/dbraw/zinc/75/77/87/587757787.db2.gz CDHGNIYHFLHFSG-YUMQZZPRSA-N 1 0 247.245 -0.114 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)on1 ZINC000834504913 587757992 /nfs/dbraw/zinc/75/79/92/587757992.db2.gz GPJJZUXKYVMPJZ-HTQZYQBOSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)on1 ZINC000834504915 587757928 /nfs/dbraw/zinc/75/79/28/587757928.db2.gz GPJJZUXKYVMPJZ-JGVFFNPUSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)on1 ZINC000834504916 587757856 /nfs/dbraw/zinc/75/78/56/587757856.db2.gz GPJJZUXKYVMPJZ-SFYZADRCSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)on1 ZINC000834504918 587757895 /nfs/dbraw/zinc/75/78/95/587757895.db2.gz GPJJZUXKYVMPJZ-YUMQZZPRSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)no1 ZINC000834505075 587757832 /nfs/dbraw/zinc/75/78/32/587757832.db2.gz HRNPIEJWLWPNDB-APPZFPTMSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)no1 ZINC000834505076 587757763 /nfs/dbraw/zinc/75/77/63/587757763.db2.gz HRNPIEJWLWPNDB-CBAPKCEASA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)no1 ZINC000834505077 587757795 /nfs/dbraw/zinc/75/77/95/587757795.db2.gz HRNPIEJWLWPNDB-IONNQARKSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)no1 ZINC000834505078 587757885 /nfs/dbraw/zinc/75/78/85/587757885.db2.gz HRNPIEJWLWPNDB-VXNVDRBHSA-N 1 0 220.232 -0.176 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC000834505103 587757783 /nfs/dbraw/zinc/75/77/83/587757783.db2.gz HZOSYURLOIEZRF-BBBLOLIVSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCCO1 ZINC000834505104 587757692 /nfs/dbraw/zinc/75/76/92/587757692.db2.gz HZOSYURLOIEZRF-KXUCPTDWSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCCO1 ZINC000834505105 587757967 /nfs/dbraw/zinc/75/79/67/587757967.db2.gz HZOSYURLOIEZRF-OPRDCNLKSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCCO1 ZINC000834505106 587757941 /nfs/dbraw/zinc/75/79/41/587757941.db2.gz HZOSYURLOIEZRF-UTLUCORTSA-N 1 0 223.276 -0.217 20 30 BBEDRO COc1ccnc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834505471 587757791 /nfs/dbraw/zinc/75/77/91/587757791.db2.gz LMWZVDIFCBPIMJ-GZMMTYOYSA-N 1 0 246.270 -0.068 20 30 BBEDRO COc1ccnc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834505472 587757732 /nfs/dbraw/zinc/75/77/32/587757732.db2.gz LMWZVDIFCBPIMJ-KCJUWKMLSA-N 1 0 246.270 -0.068 20 30 BBEDRO COc1ccnc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834505473 587757955 /nfs/dbraw/zinc/75/79/55/587757955.db2.gz LMWZVDIFCBPIMJ-KWQFWETISA-N 1 0 246.270 -0.068 20 30 BBEDRO COc1ccnc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834505474 587757710 /nfs/dbraw/zinc/75/77/10/587757710.db2.gz LMWZVDIFCBPIMJ-LDYMZIIASA-N 1 0 246.270 -0.068 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccncc1 ZINC000834505777 587757969 /nfs/dbraw/zinc/75/79/69/587757969.db2.gz NSKLWKVXNDULFT-NXEZZACHSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccncc1 ZINC000834505778 587757801 /nfs/dbraw/zinc/75/78/01/587757801.db2.gz NSKLWKVXNDULFT-UWVGGRQHSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccncc1 ZINC000834505779 587757837 /nfs/dbraw/zinc/75/78/37/587757837.db2.gz NSKLWKVXNDULFT-VHSXEESVSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccncc1 ZINC000834505780 587758016 /nfs/dbraw/zinc/75/80/16/587758016.db2.gz NSKLWKVXNDULFT-ZJUUUORDSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccccn1 ZINC000834505828 587757875 /nfs/dbraw/zinc/75/78/75/587757875.db2.gz ONQZIOOAOAUXTF-PSASIEDQSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccn1 ZINC000834505829 587757843 /nfs/dbraw/zinc/75/78/43/587757843.db2.gz ONQZIOOAOAUXTF-SCZZXKLOSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccccn1 ZINC000834505831 587757861 /nfs/dbraw/zinc/75/78/61/587757861.db2.gz ONQZIOOAOAUXTF-WCBMZHEXSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccn1 ZINC000834505833 587757982 /nfs/dbraw/zinc/75/79/82/587757982.db2.gz ONQZIOOAOAUXTF-WPRPVWTQSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccnc1 ZINC000834505940 587758012 /nfs/dbraw/zinc/75/80/12/587758012.db2.gz PFNURRJEYOKCAO-NXEZZACHSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccnc1 ZINC000834505944 587757704 /nfs/dbraw/zinc/75/77/04/587757704.db2.gz PFNURRJEYOKCAO-UWVGGRQHSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccnc1 ZINC000834505947 584913688 /nfs/dbraw/zinc/91/36/88/584913688.db2.gz PFNURRJEYOKCAO-VHSXEESVSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccnc1 ZINC000834505956 584913765 /nfs/dbraw/zinc/91/37/65/584913765.db2.gz PFNURRJEYOKCAO-ZJUUUORDSA-N 1 0 216.244 -0.077 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnccn1 ZINC000834506484 587758382 /nfs/dbraw/zinc/75/83/82/587758382.db2.gz SSTCHEIWADULAZ-HTQZYQBOSA-N 1 0 217.232 -0.682 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnccn1 ZINC000834506485 587758375 /nfs/dbraw/zinc/75/83/75/587758375.db2.gz SSTCHEIWADULAZ-JGVFFNPUSA-N 1 0 217.232 -0.682 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnccn1 ZINC000834506486 587758312 /nfs/dbraw/zinc/75/83/12/587758312.db2.gz SSTCHEIWADULAZ-SFYZADRCSA-N 1 0 217.232 -0.682 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnccn1 ZINC000834506487 587758067 /nfs/dbraw/zinc/75/80/67/587758067.db2.gz SSTCHEIWADULAZ-YUMQZZPRSA-N 1 0 217.232 -0.682 20 30 BBEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)c1ccnn1C ZINC000834506796 587758409 /nfs/dbraw/zinc/75/84/09/587758409.db2.gz WBTASYBBWKUDNB-AEJSXWLSSA-N 1 0 247.302 -0.249 20 30 BBEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1ccnn1C ZINC000834506797 587758269 /nfs/dbraw/zinc/75/82/69/587758269.db2.gz WBTASYBBWKUDNB-GUBZILKMSA-N 1 0 247.302 -0.249 20 30 BBEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1ccnn1C ZINC000834506798 587758287 /nfs/dbraw/zinc/75/82/87/587758287.db2.gz WBTASYBBWKUDNB-IVZWLZJFSA-N 1 0 247.302 -0.249 20 30 BBEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1ccnn1C ZINC000834506799 587758283 /nfs/dbraw/zinc/75/82/83/587758283.db2.gz WBTASYBBWKUDNB-LPEHRKFASA-N 1 0 247.302 -0.249 20 30 BBEDRO Cn1cccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834507150 587758119 /nfs/dbraw/zinc/75/81/19/587758119.db2.gz YMXOKSICJVQZTD-BDAKNGLRSA-N 1 0 218.260 -0.134 20 30 BBEDRO Cn1cccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834507152 587758355 /nfs/dbraw/zinc/75/83/55/587758355.db2.gz YMXOKSICJVQZTD-DTWKUNHWSA-N 1 0 218.260 -0.134 20 30 BBEDRO Cn1cccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834507154 587758197 /nfs/dbraw/zinc/75/81/97/587758197.db2.gz YMXOKSICJVQZTD-IUCAKERBSA-N 1 0 218.260 -0.134 20 30 BBEDRO Cn1cccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834507155 587758108 /nfs/dbraw/zinc/75/81/08/587758108.db2.gz YMXOKSICJVQZTD-RKDXNWHRSA-N 1 0 218.260 -0.134 20 30 BBEDRO Cc1cnc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834510768 587758295 /nfs/dbraw/zinc/75/82/95/587758295.db2.gz DZPIQQGGIWFKGN-BDAKNGLRSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1cnc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834510769 587758105 /nfs/dbraw/zinc/75/81/05/587758105.db2.gz DZPIQQGGIWFKGN-DTWKUNHWSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1cnc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834510771 587758148 /nfs/dbraw/zinc/75/81/48/587758148.db2.gz DZPIQQGGIWFKGN-IUCAKERBSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1cnc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834510773 587758310 /nfs/dbraw/zinc/75/83/10/587758310.db2.gz DZPIQQGGIWFKGN-RKDXNWHRSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cn1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834512299 587758262 /nfs/dbraw/zinc/75/82/62/587758262.db2.gz UQLVNGYMUSDXNR-APPZFPTMSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834512300 587758480 /nfs/dbraw/zinc/75/84/80/587758480.db2.gz UQLVNGYMUSDXNR-CBAPKCEASA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834512301 587758231 /nfs/dbraw/zinc/75/82/31/587758231.db2.gz UQLVNGYMUSDXNR-IONNQARKSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834512302 587758322 /nfs/dbraw/zinc/75/83/22/587758322.db2.gz UQLVNGYMUSDXNR-VXNVDRBHSA-N 1 0 219.248 -0.739 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1ccccc1=O ZINC000834512395 587758577 /nfs/dbraw/zinc/75/85/77/587758577.db2.gz VWXJHEBLBZSCBN-NXEZZACHSA-N 1 0 246.270 -0.924 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cn1ccccc1=O ZINC000834512396 587758724 /nfs/dbraw/zinc/75/87/24/587758724.db2.gz VWXJHEBLBZSCBN-UWVGGRQHSA-N 1 0 246.270 -0.924 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cn1ccccc1=O ZINC000834512397 587758682 /nfs/dbraw/zinc/75/86/82/587758682.db2.gz VWXJHEBLBZSCBN-VHSXEESVSA-N 1 0 246.270 -0.924 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cn1ccccc1=O ZINC000834512398 587758639 /nfs/dbraw/zinc/75/86/39/587758639.db2.gz VWXJHEBLBZSCBN-ZJUUUORDSA-N 1 0 246.270 -0.924 20 30 BBEDRO CCc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)[nH]n1 ZINC000834516756 587758675 /nfs/dbraw/zinc/75/86/75/587758675.db2.gz LSGVVBNMIHMTAG-GMSGAONNSA-N 1 0 233.275 -0.187 20 30 BBEDRO CCc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)[nH]n1 ZINC000834516757 587758709 /nfs/dbraw/zinc/75/87/09/587758709.db2.gz LSGVVBNMIHMTAG-OIBJUYFYSA-N 1 0 233.275 -0.187 20 30 BBEDRO CCc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)[nH]n1 ZINC000834516758 587758656 /nfs/dbraw/zinc/75/86/56/587758656.db2.gz LSGVVBNMIHMTAG-XCBNKYQSSA-N 1 0 233.275 -0.187 20 30 BBEDRO CCc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)[nH]n1 ZINC000834516759 587758654 /nfs/dbraw/zinc/75/86/54/587758654.db2.gz LSGVVBNMIHMTAG-XVKPBYJWSA-N 1 0 233.275 -0.187 20 30 BBEDRO CCC(=O)N[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834517050 587758526 /nfs/dbraw/zinc/75/85/26/587758526.db2.gz POSIRLARLNDMLQ-HLTSFMKQSA-N 1 0 238.291 -0.871 20 30 BBEDRO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834517051 587758449 /nfs/dbraw/zinc/75/84/49/587758449.db2.gz POSIRLARLNDMLQ-HRDYMLBCSA-N 1 0 238.291 -0.871 20 30 BBEDRO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834517052 587758716 /nfs/dbraw/zinc/75/87/16/587758716.db2.gz POSIRLARLNDMLQ-IWSPIJDZSA-N 1 0 238.291 -0.871 20 30 BBEDRO CCC(=O)N[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834517053 587758684 /nfs/dbraw/zinc/75/86/84/587758684.db2.gz POSIRLARLNDMLQ-VGMNWLOBSA-N 1 0 238.291 -0.871 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc[nH]c1=O ZINC000834517827 587758447 /nfs/dbraw/zinc/75/84/47/587758447.db2.gz ZQRIDLASHQHWJF-APPZFPTMSA-N 1 0 232.243 -0.371 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc[nH]c1=O ZINC000834517828 587758706 /nfs/dbraw/zinc/75/87/06/587758706.db2.gz ZQRIDLASHQHWJF-CBAPKCEASA-N 1 0 232.243 -0.371 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc[nH]c1=O ZINC000834517829 587758452 /nfs/dbraw/zinc/75/84/52/587758452.db2.gz ZQRIDLASHQHWJF-IONNQARKSA-N 1 0 232.243 -0.371 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc[nH]c1=O ZINC000834517830 587758539 /nfs/dbraw/zinc/75/85/39/587758539.db2.gz ZQRIDLASHQHWJF-VXNVDRBHSA-N 1 0 232.243 -0.371 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)COCC1CC1 ZINC000834521285 645144018 /nfs/dbraw/zinc/14/40/18/645144018.db2.gz GJVAINUDYXWOTB-NXEZZACHSA-N 1 0 223.276 -0.359 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)COCC1CC1 ZINC000834521286 645143708 /nfs/dbraw/zinc/14/37/08/645143708.db2.gz GJVAINUDYXWOTB-UWVGGRQHSA-N 1 0 223.276 -0.359 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)COCC1CC1 ZINC000834521287 645142665 /nfs/dbraw/zinc/14/26/65/645142665.db2.gz GJVAINUDYXWOTB-VHSXEESVSA-N 1 0 223.276 -0.359 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)COCC1CC1 ZINC000834521288 645143767 /nfs/dbraw/zinc/14/37/67/645143767.db2.gz GJVAINUDYXWOTB-ZJUUUORDSA-N 1 0 223.276 -0.359 20 30 BBEDRO CCc1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cnn1C ZINC000834521827 645143604 /nfs/dbraw/zinc/14/36/04/645143604.db2.gz URQQWWFEARPGTL-PSASIEDQSA-N 1 0 247.302 -0.176 20 30 BBEDRO CCc1c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cnn1C ZINC000834521828 645143253 /nfs/dbraw/zinc/14/32/53/645143253.db2.gz URQQWWFEARPGTL-SCZZXKLOSA-N 1 0 247.302 -0.176 20 30 BBEDRO CCc1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cnn1C ZINC000834521829 645143859 /nfs/dbraw/zinc/14/38/59/645143859.db2.gz URQQWWFEARPGTL-WCBMZHEXSA-N 1 0 247.302 -0.176 20 30 BBEDRO CCc1c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cnn1C ZINC000834521830 645143808 /nfs/dbraw/zinc/14/38/08/645143808.db2.gz URQQWWFEARPGTL-WPRPVWTQSA-N 1 0 247.302 -0.176 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834522654 645142722 /nfs/dbraw/zinc/14/27/22/645142722.db2.gz RIZQGBNYJGGHCN-SECBINFHSA-N 1 0 210.277 -0.303 20 30 BBEDRO C=C[C@H](O)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834522655 645143620 /nfs/dbraw/zinc/14/36/20/645143620.db2.gz RIZQGBNYJGGHCN-VIFPVBQESA-N 1 0 210.277 -0.303 20 30 BBEDRO CC#CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000834564645 587759617 /nfs/dbraw/zinc/75/96/17/587759617.db2.gz MVXISRKDJMCTKP-GFCCVEGCSA-N 1 0 224.304 -0.075 20 30 BBEDRO CC#CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000834564646 587759453 /nfs/dbraw/zinc/75/94/53/587759453.db2.gz MVXISRKDJMCTKP-LBPRGKRZSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000834570204 587759571 /nfs/dbraw/zinc/75/95/71/587759571.db2.gz YPHXNKGEPJXPSX-LLVKDONJSA-N 1 0 210.277 -0.465 20 30 BBEDRO C#CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000834570206 587759470 /nfs/dbraw/zinc/75/94/70/587759470.db2.gz YPHXNKGEPJXPSX-NSHDSACASA-N 1 0 210.277 -0.465 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NOCC(C)(C)O ZINC000834622468 587761680 /nfs/dbraw/zinc/76/16/80/587761680.db2.gz ZIEVMIYSSPXLQL-UHFFFAOYSA-N 1 0 216.281 -0.077 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1C[C@H](O)C1 ZINC000834753997 587765722 /nfs/dbraw/zinc/76/57/22/587765722.db2.gz JTQOWGXLNGDUBE-MGCOHNPYSA-N 1 0 212.293 -0.009 20 30 BBEDRO CON1CCC(=NNC2=[NH+][C@H](C)CN2)CC1 ZINC000834970649 587774446 /nfs/dbraw/zinc/77/44/46/587774446.db2.gz OFOFUWRJJWOONQ-MRVPVSSYSA-N 1 0 225.296 -0.063 20 30 BBEDRO CON1CCC(=NNC2=[NH+][C@@H](C)CN2)CC1 ZINC000834970650 587774397 /nfs/dbraw/zinc/77/43/97/587774397.db2.gz OFOFUWRJJWOONQ-QMMMGPOBSA-N 1 0 225.296 -0.063 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CC(=O)N(CC)C1 ZINC000836848389 587839725 /nfs/dbraw/zinc/83/97/25/587839725.db2.gz JMLJESJBIWMMSS-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(CC)C1 ZINC000836848395 587839742 /nfs/dbraw/zinc/83/97/42/587839742.db2.gz JMLJESJBIWMMSS-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC(=O)N[C@H](C)C1 ZINC000836852467 587839813 /nfs/dbraw/zinc/83/98/13/587839813.db2.gz BQGGFXPWVHMICC-SECBINFHSA-N 1 0 225.292 -0.549 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC(=O)N[C@@H](C)C1 ZINC000836852469 587839633 /nfs/dbraw/zinc/83/96/33/587839633.db2.gz BQGGFXPWVHMICC-VIFPVBQESA-N 1 0 225.292 -0.549 20 30 BBEDRO C=CCNC(=O)N1CCN(CCO)C[C@@H]1C ZINC000837319313 587865979 /nfs/dbraw/zinc/86/59/79/587865979.db2.gz FUFPJUWBUOERPP-JTQLQIEISA-N 1 0 227.308 -0.120 20 30 BBEDRO C=CCNC(=O)N1CCN(CCO)C[C@H]1C ZINC000837319315 587865695 /nfs/dbraw/zinc/86/56/95/587865695.db2.gz FUFPJUWBUOERPP-SNVBAGLBSA-N 1 0 227.308 -0.120 20 30 BBEDRO C[C@@H]1CN(C(=O)C#CC2CC2)CCN1CCO ZINC000837551506 587881342 /nfs/dbraw/zinc/88/13/42/587881342.db2.gz XIOPMXCNKCEENQ-LLVKDONJSA-N 1 0 236.315 -0.075 20 30 BBEDRO C[C@H]1CN(C(=O)C#CC2CC2)CCN1CCO ZINC000837551509 587881533 /nfs/dbraw/zinc/88/15/33/587881533.db2.gz XIOPMXCNKCEENQ-NSHDSACASA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)OC ZINC000837942922 587904882 /nfs/dbraw/zinc/90/48/82/587904882.db2.gz QKVVFFYXVHCLQA-NXEZZACHSA-N 1 0 238.287 -0.238 20 30 BBEDRO C#CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)OC ZINC000837942933 587904850 /nfs/dbraw/zinc/90/48/50/587904850.db2.gz QKVVFFYXVHCLQA-UWVGGRQHSA-N 1 0 238.287 -0.238 20 30 BBEDRO C#CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)OC ZINC000837942934 587904870 /nfs/dbraw/zinc/90/48/70/587904870.db2.gz QKVVFFYXVHCLQA-VHSXEESVSA-N 1 0 238.287 -0.238 20 30 BBEDRO C#CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)OC ZINC000837942936 587904589 /nfs/dbraw/zinc/90/45/89/587904589.db2.gz QKVVFFYXVHCLQA-ZJUUUORDSA-N 1 0 238.287 -0.238 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)[C@H](C)[NH+](C)C ZINC000838272185 585051718 /nfs/dbraw/zinc/05/17/18/585051718.db2.gz SZAHRVZHYURNLM-UWVGGRQHSA-N 1 0 210.277 -0.203 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)[C@H](C)[NH+](C)C ZINC000838272190 585051722 /nfs/dbraw/zinc/05/17/22/585051722.db2.gz SZAHRVZHYURNLM-VHSXEESVSA-N 1 0 210.277 -0.203 20 30 BBEDRO C=CCONC(=O)NCC[N@@H+](C)CCOC ZINC000838708145 585065814 /nfs/dbraw/zinc/06/58/14/585065814.db2.gz YYOXOKUUNSCZFA-UHFFFAOYSA-N 1 0 231.296 -0.019 20 30 BBEDRO C=CCONC(=O)NCCOCC[NH+](C)C ZINC000838710362 585066544 /nfs/dbraw/zinc/06/65/44/585066544.db2.gz WLANFPHJFBUEBT-UHFFFAOYSA-N 1 0 231.296 -0.019 20 30 BBEDRO C=CCONC(=O)NCC[N@H+](CC)CCO ZINC000838712743 585067068 /nfs/dbraw/zinc/06/70/68/585067068.db2.gz SOPVSVSDHBMXBC-UHFFFAOYSA-N 1 0 231.296 -0.283 20 30 BBEDRO C#CCNC(=O)C[NH2+]C1(CC(=O)OC)CCC1 ZINC000838924026 585078686 /nfs/dbraw/zinc/07/86/86/585078686.db2.gz XDDVRNKMMNZDJF-UHFFFAOYSA-N 1 0 238.287 -0.189 20 30 BBEDRO C#CCNC(=O)C[NH2+]C(C)(C)CN(C)C ZINC000839091656 585090386 /nfs/dbraw/zinc/09/03/86/585090386.db2.gz RFXOVIRPYNZPHV-UHFFFAOYSA-N 1 0 211.309 -0.334 20 30 BBEDRO C#C[C@@H]1COCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000839196526 585098879 /nfs/dbraw/zinc/09/88/79/585098879.db2.gz JUOQWJJVARWWLH-CHWSQXEVSA-N 1 0 238.331 -0.223 20 30 BBEDRO C#C[C@@H]1COCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000839196530 585098769 /nfs/dbraw/zinc/09/87/69/585098769.db2.gz JUOQWJJVARWWLH-OLZOCXBDSA-N 1 0 238.331 -0.223 20 30 BBEDRO C#C[C@H]1COCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000839196531 585098896 /nfs/dbraw/zinc/09/88/96/585098896.db2.gz JUOQWJJVARWWLH-QWHCGFSZSA-N 1 0 238.331 -0.223 20 30 BBEDRO C#C[C@H]1COCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000839196532 585098964 /nfs/dbraw/zinc/09/89/64/585098964.db2.gz JUOQWJJVARWWLH-STQMWFEESA-N 1 0 238.331 -0.223 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000839670704 585336278 /nfs/dbraw/zinc/33/62/78/585336278.db2.gz WNDOXIFWWJFBCQ-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000839670707 585336135 /nfs/dbraw/zinc/33/61/35/585336135.db2.gz WNDOXIFWWJFBCQ-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000839670709 585336453 /nfs/dbraw/zinc/33/64/53/585336453.db2.gz WNDOXIFWWJFBCQ-QWRGUYRKSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000839670711 585336115 /nfs/dbraw/zinc/33/61/15/585336115.db2.gz WNDOXIFWWJFBCQ-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)[C@@H](O)CCC ZINC000840550083 587911508 /nfs/dbraw/zinc/91/15/08/587911508.db2.gz ISQCOTDQEXPVBJ-QWRGUYRKSA-N 1 0 244.335 -0.258 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)[C@H](O)CCC ZINC000840550085 587911641 /nfs/dbraw/zinc/91/16/41/587911641.db2.gz ISQCOTDQEXPVBJ-WDEREUQCSA-N 1 0 244.335 -0.258 20 30 BBEDRO CON=CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000841457610 585011921 /nfs/dbraw/zinc/01/19/21/585011921.db2.gz UEMCEMASVAYLFS-NXEZZACHSA-N 1 0 243.307 -0.468 20 30 BBEDRO CON=CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000841457611 585011863 /nfs/dbraw/zinc/01/18/63/585011863.db2.gz UEMCEMASVAYLFS-UWVGGRQHSA-N 1 0 243.307 -0.468 20 30 BBEDRO CON=CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000841457612 585011917 /nfs/dbraw/zinc/01/19/17/585011917.db2.gz UEMCEMASVAYLFS-VHSXEESVSA-N 1 0 243.307 -0.468 20 30 BBEDRO CON=CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000841457613 585011809 /nfs/dbraw/zinc/01/18/09/585011809.db2.gz UEMCEMASVAYLFS-ZJUUUORDSA-N 1 0 243.307 -0.468 20 30 BBEDRO C#CCNC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000841506987 645216902 /nfs/dbraw/zinc/21/69/02/645216902.db2.gz DXLOUHNMMUZMIG-IUCAKERBSA-N 1 0 213.256 -0.039 20 30 BBEDRO CCO[C@@H]1CC(=NNC2=[NH+]CCN2)[C@H]1OC ZINC000841660566 587969370 /nfs/dbraw/zinc/96/93/70/587969370.db2.gz RMMAINSPXWGROB-RKDXNWHRSA-N 1 0 226.280 -0.285 20 30 BBEDRO C#CCSCCNC(=O)N1CC[NH2+]CC1 ZINC000841830044 587976344 /nfs/dbraw/zinc/97/63/44/587976344.db2.gz CVLMZAXWRNGXQD-UHFFFAOYSA-N 1 0 227.333 -0.032 20 30 BBEDRO C#CCSCCNC(=O)NCC[NH2+]C ZINC000841831093 587976189 /nfs/dbraw/zinc/97/61/89/587976189.db2.gz BFYNYSMXKOPJMZ-UHFFFAOYSA-N 1 0 215.322 -0.129 20 30 BBEDRO C#CCSCCNC(=O)NCC[NH3+] ZINC000841831327 587976453 /nfs/dbraw/zinc/97/64/53/587976453.db2.gz TYEWHNCCBRZXLB-UHFFFAOYSA-N 1 0 201.295 -0.389 20 30 BBEDRO C#CCSCCNC(=O)N[C@H](C)C[NH3+] ZINC000841832396 587976919 /nfs/dbraw/zinc/97/69/19/587976919.db2.gz NHOKFLVNAZVXIR-MRVPVSSYSA-N 1 0 215.322 -0.001 20 30 BBEDRO C#CCSCCNC(=O)N[C@@H](C)C[NH3+] ZINC000841832397 587976821 /nfs/dbraw/zinc/97/68/21/587976821.db2.gz NHOKFLVNAZVXIR-QMMMGPOBSA-N 1 0 215.322 -0.001 20 30 BBEDRO C#CCSCCNC(=O)NC[C@@H](C)[NH3+] ZINC000841832599 587976829 /nfs/dbraw/zinc/97/68/29/587976829.db2.gz QHQHCWSYKWCLTB-MRVPVSSYSA-N 1 0 215.322 -0.001 20 30 BBEDRO C#CCSCCNC(=O)NC[C@H](C)[NH3+] ZINC000841832600 587975572 /nfs/dbraw/zinc/97/55/72/587975572.db2.gz QHQHCWSYKWCLTB-QMMMGPOBSA-N 1 0 215.322 -0.001 20 30 BBEDRO C#CCSCCNC(=O)N(C)CC[NH3+] ZINC000841832769 587976623 /nfs/dbraw/zinc/97/66/23/587976623.db2.gz SJDYDWLTUDHJGP-UHFFFAOYSA-N 1 0 215.322 -0.047 20 30 BBEDRO C#CCSCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841833066 587976928 /nfs/dbraw/zinc/97/69/28/587976928.db2.gz YYDSJGUOAGIPNV-MYJAWHEDSA-N 1 0 239.344 -0.130 20 30 BBEDRO C#CCOCCNC(=O)NCC1([NH3+])CCC1 ZINC000841873816 583590010 /nfs/dbraw/zinc/59/00/10/583590010.db2.gz ABVLANPNSQVZTM-UHFFFAOYSA-N 1 0 225.292 -0.183 20 30 BBEDRO C#CCOCCNC(=O)NCCC[NH2+]CC ZINC000841873823 587979411 /nfs/dbraw/zinc/97/94/11/587979411.db2.gz AHHCCSXBQUIXIL-UHFFFAOYSA-N 1 0 227.308 -0.065 20 30 BBEDRO C#CCOCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000841873868 587979460 /nfs/dbraw/zinc/97/94/60/587979460.db2.gz BULCLNXCWYZSIF-JTQLQIEISA-N 1 0 225.292 -0.313 20 30 BBEDRO C#CCOCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841873869 587979296 /nfs/dbraw/zinc/97/92/96/587979296.db2.gz BULCLNXCWYZSIF-SNVBAGLBSA-N 1 0 225.292 -0.313 20 30 BBEDRO C#CCOCCNC(=O)NCC[NH2+]CC ZINC000841873878 587979465 /nfs/dbraw/zinc/97/94/65/587979465.db2.gz CBRYIBJXYAEWCK-UHFFFAOYSA-N 1 0 213.281 -0.455 20 30 BBEDRO C#CCOCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000841874061 587979140 /nfs/dbraw/zinc/97/91/40/587979140.db2.gz DAPFNKNFTUWLJL-JTQLQIEISA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCOCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000841874087 587979467 /nfs/dbraw/zinc/97/94/67/587979467.db2.gz DAPFNKNFTUWLJL-SNVBAGLBSA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCOCCNC(=O)NC[C@H]([NH3+])CC ZINC000841874121 583589975 /nfs/dbraw/zinc/58/99/75/583589975.db2.gz DCYBLSMZEMZJGK-SECBINFHSA-N 1 0 213.281 -0.327 20 30 BBEDRO C#CCOCCNC(=O)NC[C@@H]([NH3+])CC ZINC000841874125 583589881 /nfs/dbraw/zinc/58/98/81/583589881.db2.gz DCYBLSMZEMZJGK-VIFPVBQESA-N 1 0 213.281 -0.327 20 30 BBEDRO C#CCOCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000841874239 587979487 /nfs/dbraw/zinc/97/94/87/587979487.db2.gz DESFBNAPCBOVJE-UWVGGRQHSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#CCOCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841874294 583591016 /nfs/dbraw/zinc/59/10/16/583591016.db2.gz FTUVKQOWDMUQPZ-MNOVXSKESA-N 1 0 237.303 -0.361 20 30 BBEDRO C#CCOCCNC(=O)NC(C)(C)C[NH3+] ZINC000841874573 587979707 /nfs/dbraw/zinc/97/97/07/587979707.db2.gz GTDJORJHMDTAIU-UHFFFAOYSA-N 1 0 213.281 -0.327 20 30 BBEDRO C#CCOCCNC(=O)NCC[NH2+]CCC ZINC000841874922 587979743 /nfs/dbraw/zinc/97/97/43/587979743.db2.gz LBVRLIBPBHJBKU-UHFFFAOYSA-N 1 0 227.308 -0.065 20 30 BBEDRO C#CCOCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000841875185 587979835 /nfs/dbraw/zinc/97/98/35/587979835.db2.gz MJOYLQDTKQJIBL-SNVBAGLBSA-N 1 0 227.308 -0.067 20 30 BBEDRO C#CCOCCNC(=O)NCC[NH2+]C1CC1 ZINC000841875219 587979956 /nfs/dbraw/zinc/97/99/56/587979956.db2.gz MUNYQLPSBAAQOC-UHFFFAOYSA-N 1 0 225.292 -0.313 20 30 BBEDRO C#CCOCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000841875660 587980015 /nfs/dbraw/zinc/98/00/15/587980015.db2.gz OPSSZPTUXDYBAY-JTQLQIEISA-N 1 0 227.308 -0.081 20 30 BBEDRO C#CCOCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000841875661 587979818 /nfs/dbraw/zinc/97/98/18/587979818.db2.gz OPSSZPTUXDYBAY-SNVBAGLBSA-N 1 0 227.308 -0.081 20 30 BBEDRO C#CCOCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000841875754 587979892 /nfs/dbraw/zinc/97/98/92/587979892.db2.gz QYKKXMIDNVLTSM-SNVBAGLBSA-N 1 0 225.292 -0.231 20 30 BBEDRO C#CCOCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841876111 583597024 /nfs/dbraw/zinc/59/70/24/583597024.db2.gz SNMHFQOHRWIRBQ-JTQLQIEISA-N 1 0 225.292 -0.313 20 30 BBEDRO C#CCOCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000841876114 583596982 /nfs/dbraw/zinc/59/69/82/583596982.db2.gz SNMHFQOHRWIRBQ-SNVBAGLBSA-N 1 0 225.292 -0.313 20 30 BBEDRO C#CCOCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000841876153 587979906 /nfs/dbraw/zinc/97/99/06/587979906.db2.gz SXTCRRYZRLZBOJ-UHFFFAOYSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#CCOCCNC(=O)NCC(C)(C)[NH3+] ZINC000841876625 583597404 /nfs/dbraw/zinc/59/74/04/583597404.db2.gz VICCNBNQSVJDQZ-UHFFFAOYSA-N 1 0 213.281 -0.327 20 30 BBEDRO C#CCOCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841876645 587979848 /nfs/dbraw/zinc/97/98/48/587979848.db2.gz WAMWWTJHXABQMM-JTQLQIEISA-N 1 0 225.292 -0.327 20 30 BBEDRO C#CCOCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000841876646 587979129 /nfs/dbraw/zinc/97/91/29/587979129.db2.gz WAMWWTJHXABQMM-SNVBAGLBSA-N 1 0 225.292 -0.327 20 30 BBEDRO C#CCOCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000841876650 587979461 /nfs/dbraw/zinc/97/94/61/587979461.db2.gz WFHIBSZIPGUJCF-JTQLQIEISA-N 1 0 225.292 -0.327 20 30 BBEDRO C#CCOCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841876651 587979118 /nfs/dbraw/zinc/97/91/18/587979118.db2.gz WFHIBSZIPGUJCF-SNVBAGLBSA-N 1 0 225.292 -0.327 20 30 BBEDRO C#CCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000841876678 587979855 /nfs/dbraw/zinc/97/98/55/587979855.db2.gz WOLRUBUJQOIWPQ-GHMZBOCLSA-N 1 0 239.319 -0.067 20 30 BBEDRO C#CCOCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000841876680 587979713 /nfs/dbraw/zinc/97/97/13/587979713.db2.gz WOLRUBUJQOIWPQ-MNOVXSKESA-N 1 0 239.319 -0.067 20 30 BBEDRO C#CCOCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000841876682 587979852 /nfs/dbraw/zinc/97/98/52/587979852.db2.gz WOLRUBUJQOIWPQ-QWRGUYRKSA-N 1 0 239.319 -0.067 20 30 BBEDRO C#CCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000841876683 587979840 /nfs/dbraw/zinc/97/98/40/587979840.db2.gz WOLRUBUJQOIWPQ-WDEREUQCSA-N 1 0 239.319 -0.067 20 30 BBEDRO C#CCOCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000841876737 587979827 /nfs/dbraw/zinc/97/98/27/587979827.db2.gz WUGBQIPKAAYRHF-SNVBAGLBSA-N 1 0 225.292 -0.231 20 30 BBEDRO C#CCOCCNC(=O)NC[C@H](C)C[NH3+] ZINC000841877153 587980028 /nfs/dbraw/zinc/98/00/28/587980028.db2.gz YBYVSHPSTLNTRS-SECBINFHSA-N 1 0 213.281 -0.470 20 30 BBEDRO C#CCOCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000841877155 587979869 /nfs/dbraw/zinc/97/98/69/587979869.db2.gz YBYVSHPSTLNTRS-VIFPVBQESA-N 1 0 213.281 -0.470 20 30 BBEDRO C#C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCO1 ZINC000841879718 587979980 /nfs/dbraw/zinc/97/99/80/587979980.db2.gz QNMRXGGGKVOPGG-KZZRWZIVSA-N 1 0 249.314 -0.316 20 30 BBEDRO C#C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCO1 ZINC000841879719 587979876 /nfs/dbraw/zinc/97/98/76/587979876.db2.gz QNMRXGGGKVOPGG-LVEVGFFFSA-N 1 0 249.314 -0.316 20 30 BBEDRO C#C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCO1 ZINC000841879720 587979925 /nfs/dbraw/zinc/97/99/25/587979925.db2.gz QNMRXGGGKVOPGG-RNWYCLNJSA-N 1 0 249.314 -0.316 20 30 BBEDRO C#C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCO1 ZINC000841879721 587979992 /nfs/dbraw/zinc/97/99/92/587979992.db2.gz QNMRXGGGKVOPGG-ROHXPCBUSA-N 1 0 249.314 -0.316 20 30 BBEDRO C#C[C@@H](NC(=O)N(C)CC[NH3+])[C@H]1CCCO1 ZINC000841879733 587979866 /nfs/dbraw/zinc/97/98/66/587979866.db2.gz REQDHKJCIHJFPH-NXEZZACHSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@H](NC(=O)N(C)CC[NH3+])[C@@H]1CCCO1 ZINC000841879734 587979923 /nfs/dbraw/zinc/97/99/23/587979923.db2.gz REQDHKJCIHJFPH-UWVGGRQHSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@H](NC(=O)N(C)CC[NH3+])[C@H]1CCCO1 ZINC000841879735 587980292 /nfs/dbraw/zinc/98/02/92/587980292.db2.gz REQDHKJCIHJFPH-VHSXEESVSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@@H](NC(=O)N(C)CC[NH3+])[C@@H]1CCCO1 ZINC000841879736 587980168 /nfs/dbraw/zinc/98/01/68/587980168.db2.gz REQDHKJCIHJFPH-ZJUUUORDSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@H](NC(=O)NC/C=C\C[NH3+])[C@H]1CCCO1 ZINC000841879800 587980407 /nfs/dbraw/zinc/98/04/07/587980407.db2.gz SGBYQFTUCAZWNA-CBZSPVTBSA-N 1 0 237.303 -0.019 20 30 BBEDRO C#C[C@H](NC(=O)NC/C=C/C[NH3+])[C@H]1CCCO1 ZINC000841879802 587980062 /nfs/dbraw/zinc/98/00/62/587980062.db2.gz SGBYQFTUCAZWNA-MJKAUQOVSA-N 1 0 237.303 -0.019 20 30 BBEDRO C#C[C@H](NC(=O)NC/C=C/C[NH3+])[C@@H]1CCCO1 ZINC000841879803 587980334 /nfs/dbraw/zinc/98/03/34/587980334.db2.gz SGBYQFTUCAZWNA-SEUFLZDSSA-N 1 0 237.303 -0.019 20 30 BBEDRO C#C[C@H](NC(=O)NC/C=C\C[NH3+])[C@@H]1CCCO1 ZINC000841879805 583619828 /nfs/dbraw/zinc/61/98/28/583619828.db2.gz SGBYQFTUCAZWNA-WZQADMAKSA-N 1 0 237.303 -0.019 20 30 BBEDRO C#C[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1CCCO1 ZINC000841880222 587980177 /nfs/dbraw/zinc/98/01/77/587980177.db2.gz XPQBDDGRLPOSNP-AEJSXWLSSA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@@H]1CCCO1 ZINC000841880223 587980243 /nfs/dbraw/zinc/98/02/43/587980243.db2.gz XPQBDDGRLPOSNP-BBBLOLIVSA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1CCCO1 ZINC000841880225 587980391 /nfs/dbraw/zinc/98/03/91/587980391.db2.gz XPQBDDGRLPOSNP-GUBZILKMSA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1CCCO1 ZINC000841880226 587980157 /nfs/dbraw/zinc/98/01/57/587980157.db2.gz XPQBDDGRLPOSNP-IVZWLZJFSA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1CCCO1 ZINC000841880228 587980253 /nfs/dbraw/zinc/98/02/53/587980253.db2.gz XPQBDDGRLPOSNP-KXUCPTDWSA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1CCCO1 ZINC000841880229 587980218 /nfs/dbraw/zinc/98/02/18/587980218.db2.gz XPQBDDGRLPOSNP-LPEHRKFASA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1CCCO1 ZINC000841880231 587980272 /nfs/dbraw/zinc/98/02/72/587980272.db2.gz XPQBDDGRLPOSNP-OPRDCNLKSA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@H](NC(=O)N[C@H](C)C[NH3+])[C@@H]1CCCO1 ZINC000841880233 587980566 /nfs/dbraw/zinc/98/05/66/587980566.db2.gz XPQBDDGRLPOSNP-UTLUCORTSA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@H](NC(=O)NC[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000841880439 587980570 /nfs/dbraw/zinc/98/05/70/587980570.db2.gz ZVAOXCYLZRXRJE-GUBZILKMSA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@H]1CCCO1 ZINC000841880440 587980330 /nfs/dbraw/zinc/98/03/30/587980330.db2.gz ZVAOXCYLZRXRJE-KXUCPTDWSA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@H](NC(=O)NC[C@H](C)[NH3+])[C@H]1CCCO1 ZINC000841880441 587980326 /nfs/dbraw/zinc/98/03/26/587980326.db2.gz ZVAOXCYLZRXRJE-LPEHRKFASA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@@H]1CCCO1 ZINC000841880442 587980324 /nfs/dbraw/zinc/98/03/24/587980324.db2.gz ZVAOXCYLZRXRJE-UTLUCORTSA-N 1 0 225.292 -0.186 20 30 BBEDRO C#C[C@@H](NC(=O)NCCC[NH3+])[C@H]1CCCO1 ZINC000841880489 587980352 /nfs/dbraw/zinc/98/03/52/587980352.db2.gz BBDSHJLRXPBRNN-NXEZZACHSA-N 1 0 225.292 -0.185 20 30 BBEDRO C#C[C@H](NC(=O)NCCC[NH3+])[C@@H]1CCCO1 ZINC000841880490 587980525 /nfs/dbraw/zinc/98/05/25/587980525.db2.gz BBDSHJLRXPBRNN-UWVGGRQHSA-N 1 0 225.292 -0.185 20 30 BBEDRO C#C[C@H](NC(=O)NCCC[NH3+])[C@H]1CCCO1 ZINC000841880491 587980337 /nfs/dbraw/zinc/98/03/37/587980337.db2.gz BBDSHJLRXPBRNN-VHSXEESVSA-N 1 0 225.292 -0.185 20 30 BBEDRO C#C[C@@H](NC(=O)NCCC[NH3+])[C@@H]1CCCO1 ZINC000841880492 587980321 /nfs/dbraw/zinc/98/03/21/587980321.db2.gz BBDSHJLRXPBRNN-ZJUUUORDSA-N 1 0 225.292 -0.185 20 30 BBEDRO C#C[C@@H](NC(=O)NCC[NH2+]C)[C@H]1CCCO1 ZINC000841880525 587980551 /nfs/dbraw/zinc/98/05/51/587980551.db2.gz BUIQJSUXHYAHRG-NXEZZACHSA-N 1 0 225.292 -0.314 20 30 BBEDRO C#C[C@H](NC(=O)NCC[NH2+]C)[C@@H]1CCCO1 ZINC000841880526 587980301 /nfs/dbraw/zinc/98/03/01/587980301.db2.gz BUIQJSUXHYAHRG-UWVGGRQHSA-N 1 0 225.292 -0.314 20 30 BBEDRO C#C[C@H](NC(=O)NCC[NH2+]C)[C@H]1CCCO1 ZINC000841880527 587980449 /nfs/dbraw/zinc/98/04/49/587980449.db2.gz BUIQJSUXHYAHRG-VHSXEESVSA-N 1 0 225.292 -0.314 20 30 BBEDRO C#C[C@@H](NC(=O)NCC[NH2+]C)[C@@H]1CCCO1 ZINC000841880528 587980150 /nfs/dbraw/zinc/98/01/50/587980150.db2.gz BUIQJSUXHYAHRG-ZJUUUORDSA-N 1 0 225.292 -0.314 20 30 BBEDRO C#C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000841880803 587980276 /nfs/dbraw/zinc/98/02/76/587980276.db2.gz HVXCCVVQXXVGTJ-AXFHLTTASA-N 1 0 237.303 -0.090 20 30 BBEDRO C#C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000841880804 587980217 /nfs/dbraw/zinc/98/02/17/587980217.db2.gz HVXCCVVQXXVGTJ-DCAQKATOSA-N 1 0 237.303 -0.090 20 30 BBEDRO C#C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000841880805 587980191 /nfs/dbraw/zinc/98/01/91/587980191.db2.gz HVXCCVVQXXVGTJ-GARJFASQSA-N 1 0 237.303 -0.090 20 30 BBEDRO C#C[C@@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000841880806 587980309 /nfs/dbraw/zinc/98/03/09/587980309.db2.gz HVXCCVVQXXVGTJ-GMTAPVOTSA-N 1 0 237.303 -0.090 20 30 BBEDRO C#C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000841880807 587980283 /nfs/dbraw/zinc/98/02/83/587980283.db2.gz HVXCCVVQXXVGTJ-HBNTYKKESA-N 1 0 237.303 -0.090 20 30 BBEDRO C#C[C@@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000841880808 587980413 /nfs/dbraw/zinc/98/04/13/587980413.db2.gz HVXCCVVQXXVGTJ-MXWKQRLJSA-N 1 0 237.303 -0.090 20 30 BBEDRO C#C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000841880809 587980165 /nfs/dbraw/zinc/98/01/65/587980165.db2.gz HVXCCVVQXXVGTJ-OUAUKWLOSA-N 1 0 237.303 -0.090 20 30 BBEDRO C#C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000841880810 587980154 /nfs/dbraw/zinc/98/01/54/587980154.db2.gz HVXCCVVQXXVGTJ-VWYCJHECSA-N 1 0 237.303 -0.090 20 30 BBEDRO C#C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000841881011 587980317 /nfs/dbraw/zinc/98/03/17/587980317.db2.gz MNAYAQYMAFDAQW-DCAQKATOSA-N 1 0 237.303 -0.172 20 30 BBEDRO C#C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000841881012 587980430 /nfs/dbraw/zinc/98/04/30/587980430.db2.gz MNAYAQYMAFDAQW-GARJFASQSA-N 1 0 237.303 -0.172 20 30 BBEDRO C#C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000841881013 587980173 /nfs/dbraw/zinc/98/01/73/587980173.db2.gz MNAYAQYMAFDAQW-OUAUKWLOSA-N 1 0 237.303 -0.172 20 30 BBEDRO C#C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000841881014 587980263 /nfs/dbraw/zinc/98/02/63/587980263.db2.gz MNAYAQYMAFDAQW-VWYCJHECSA-N 1 0 237.303 -0.172 20 30 BBEDRO C#C[C@@H](NC(=O)N1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000841881268 587980232 /nfs/dbraw/zinc/98/02/32/587980232.db2.gz PJPFGNPNVSWCEA-GHMZBOCLSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@@H](NC(=O)N1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000841881269 587980240 /nfs/dbraw/zinc/98/02/40/587980240.db2.gz PJPFGNPNVSWCEA-MNOVXSKESA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@H](NC(=O)N1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000841881270 587980493 /nfs/dbraw/zinc/98/04/93/587980493.db2.gz PJPFGNPNVSWCEA-QWRGUYRKSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@H](NC(=O)N1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000841881271 587980189 /nfs/dbraw/zinc/98/01/89/587980189.db2.gz PJPFGNPNVSWCEA-WDEREUQCSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@@H](NC(=O)NCC[NH3+])[C@@H]1CCCO1 ZINC000841881449 583624129 /nfs/dbraw/zinc/62/41/29/583624129.db2.gz REJLDADJBYRHQW-BDAKNGLRSA-N 1 0 211.265 -0.575 20 30 BBEDRO C#C[C@H](NC(=O)NCC[NH3+])[C@H]1CCCO1 ZINC000841881454 583623931 /nfs/dbraw/zinc/62/39/31/583623931.db2.gz REJLDADJBYRHQW-DTWKUNHWSA-N 1 0 211.265 -0.575 20 30 BBEDRO C#C[C@H](NC(=O)NCC[NH3+])[C@@H]1CCCO1 ZINC000841881455 583624441 /nfs/dbraw/zinc/62/44/41/583624441.db2.gz REJLDADJBYRHQW-IUCAKERBSA-N 1 0 211.265 -0.575 20 30 BBEDRO C#C[C@@H](NC(=O)NCC[NH3+])[C@H]1CCCO1 ZINC000841881458 583624031 /nfs/dbraw/zinc/62/40/31/583624031.db2.gz REJLDADJBYRHQW-RKDXNWHRSA-N 1 0 211.265 -0.575 20 30 BBEDRO C#CCCCNC(=O)NCC[NH2+]CCOC ZINC000841885859 587980763 /nfs/dbraw/zinc/98/07/63/587980763.db2.gz KKSHCTGOSCKLST-UHFFFAOYSA-N 1 0 227.308 -0.065 20 30 BBEDRO C#CCCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000841886719 587981077 /nfs/dbraw/zinc/98/10/77/587981077.db2.gz RECXDXLHRBUPGF-NSHDSACASA-N 1 0 238.335 -0.316 20 30 BBEDRO C#CCCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841887138 587981070 /nfs/dbraw/zinc/98/10/70/587981070.db2.gz YVJLSGMQIKSWFD-MYJAWHEDSA-N 1 0 207.277 -0.083 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)[NH3+] ZINC000841910407 587983887 /nfs/dbraw/zinc/98/38/87/587983887.db2.gz QCQQCMMFPOPEGG-JTQLQIEISA-N 1 0 226.324 -0.412 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)[NH3+] ZINC000841910408 587983968 /nfs/dbraw/zinc/98/39/68/587983968.db2.gz QCQQCMMFPOPEGG-SNVBAGLBSA-N 1 0 226.324 -0.412 20 30 BBEDRO C=CCONC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000841913256 587984753 /nfs/dbraw/zinc/98/47/53/587984753.db2.gz LRKPBBQERYWKQL-SECBINFHSA-N 1 0 228.296 -0.612 20 30 BBEDRO C=CCONC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000841913269 587984919 /nfs/dbraw/zinc/98/49/19/587984919.db2.gz LRKPBBQERYWKQL-VIFPVBQESA-N 1 0 228.296 -0.612 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000841919106 587985259 /nfs/dbraw/zinc/98/52/59/587985259.db2.gz HGOIPLYJEGYZTM-LLVKDONJSA-N 1 0 238.335 -0.397 20 30 BBEDRO C#C[C@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000841919107 587985263 /nfs/dbraw/zinc/98/52/63/587985263.db2.gz HGOIPLYJEGYZTM-NSHDSACASA-N 1 0 238.335 -0.397 20 30 BBEDRO C=C(Cl)CNC(=O)NCCN1CC[NH2+]CC1 ZINC000841921183 587985443 /nfs/dbraw/zinc/98/54/43/587985443.db2.gz OZTKJYRVSYCNBU-UHFFFAOYSA-N 1 0 246.742 -0.057 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NCC[NH2+]C1CC1 ZINC000841929993 587986046 /nfs/dbraw/zinc/98/60/46/587986046.db2.gz NUIKSZJXTUXSIT-LLVKDONJSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NCC[NH2+]C1CC1 ZINC000841929994 587985902 /nfs/dbraw/zinc/98/59/02/587985902.db2.gz NUIKSZJXTUXSIT-NSHDSACASA-N 1 0 237.303 -0.218 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000841938390 587985668 /nfs/dbraw/zinc/98/56/68/587985668.db2.gz DDDICHLQZUFSRH-NXEZZACHSA-N 1 0 223.276 -0.608 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000841938391 587985687 /nfs/dbraw/zinc/98/56/87/587985687.db2.gz DDDICHLQZUFSRH-ZJUUUORDSA-N 1 0 223.276 -0.608 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCC[NH2+]CCOC ZINC000841968207 587985532 /nfs/dbraw/zinc/98/55/32/587985532.db2.gz NKBMNBQRAFOMDC-SECBINFHSA-N 1 0 213.281 -0.457 20 30 BBEDRO C#C[C@H](C)NC(=O)NCC[NH2+]CCOC ZINC000841968208 587985235 /nfs/dbraw/zinc/98/52/35/587985235.db2.gz NKBMNBQRAFOMDC-VIFPVBQESA-N 1 0 213.281 -0.457 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)C[NH3+] ZINC000841983018 587987683 /nfs/dbraw/zinc/98/76/83/587987683.db2.gz MKMOXBSUDLQPJH-DTWKUNHWSA-N 1 0 211.265 -0.623 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@@H](C)C[NH3+] ZINC000841983019 587987654 /nfs/dbraw/zinc/98/76/54/587987654.db2.gz MKMOXBSUDLQPJH-IUCAKERBSA-N 1 0 211.265 -0.623 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@@H](C)[NH3+] ZINC000841986441 587988258 /nfs/dbraw/zinc/98/82/58/587988258.db2.gz JXBMOZFOXCCFIB-BDAKNGLRSA-N 1 0 211.265 -0.623 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H](C)[NH3+] ZINC000841986444 587988273 /nfs/dbraw/zinc/98/82/73/587988273.db2.gz JXBMOZFOXCCFIB-DTWKUNHWSA-N 1 0 211.265 -0.623 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@H](C)[NH3+] ZINC000841986446 587988179 /nfs/dbraw/zinc/98/81/79/587988179.db2.gz JXBMOZFOXCCFIB-IUCAKERBSA-N 1 0 211.265 -0.623 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@@H](C)[NH3+] ZINC000841986448 587988195 /nfs/dbraw/zinc/98/81/95/587988195.db2.gz JXBMOZFOXCCFIB-RKDXNWHRSA-N 1 0 211.265 -0.623 20 30 BBEDRO C=CCN(C(=O)C(=O)NC1C[NH2+]C1)C(C)C ZINC000842236883 588007852 /nfs/dbraw/zinc/00/78/52/588007852.db2.gz WRZONXJBKZVXGA-UHFFFAOYSA-N 1 0 225.292 -0.503 20 30 BBEDRO CCOC(=O)c1cc(C=NNC(N)=[NH2+])[nH]n1 ZINC000842525301 588033046 /nfs/dbraw/zinc/03/30/46/588033046.db2.gz NDWUKTWPGHWPCB-UHFFFAOYSA-N 1 0 224.224 -0.597 20 30 BBEDRO COc1ccnc(C=NNC2=[NH+]C[C@@H](C)N2)n1 ZINC000842529855 588033601 /nfs/dbraw/zinc/03/36/01/588033601.db2.gz JZPVJCHSNPXTFD-SSDOTTSWSA-N 1 0 234.263 -0.244 20 30 BBEDRO COc1ccnc(C=NNC2=[NH+]C[C@H](C)N2)n1 ZINC000842529857 588033544 /nfs/dbraw/zinc/03/35/44/588033544.db2.gz JZPVJCHSNPXTFD-ZETCQYMHSA-N 1 0 234.263 -0.244 20 30 BBEDRO COc1ncncc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000842530168 588033927 /nfs/dbraw/zinc/03/39/27/588033927.db2.gz PWVPXBLGIIWVOS-SSDOTTSWSA-N 1 0 234.263 -0.244 20 30 BBEDRO COc1ncncc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000842530169 588033924 /nfs/dbraw/zinc/03/39/24/588033924.db2.gz PWVPXBLGIIWVOS-ZETCQYMHSA-N 1 0 234.263 -0.244 20 30 BBEDRO COc1ncncc1C=NNC1=[NH+]CCN1 ZINC000842535123 588035652 /nfs/dbraw/zinc/03/56/52/588035652.db2.gz CPWNMWXAELSFSI-UHFFFAOYSA-N 1 0 220.236 -0.632 20 30 BBEDRO COc1ccnc(C=NNC2=[NH+]CCN2)n1 ZINC000842536729 588036195 /nfs/dbraw/zinc/03/61/95/588036195.db2.gz YHAYHMVCLGKTEK-UHFFFAOYSA-N 1 0 220.236 -0.632 20 30 BBEDRO C[C@@H](CO)N(C)N=C1CC[NH+](CCO)CC1 ZINC000842537625 588036415 /nfs/dbraw/zinc/03/64/15/588036415.db2.gz CVNQTTYHYNBMNV-JTQLQIEISA-N 1 0 229.324 -0.257 20 30 BBEDRO C[C@H](CO)N(C)N=C1CC[NH+](CCO)CC1 ZINC000842537626 588036535 /nfs/dbraw/zinc/03/65/35/588036535.db2.gz CVNQTTYHYNBMNV-SNVBAGLBSA-N 1 0 229.324 -0.257 20 30 BBEDRO CCN(CCO)N=C1CC[NH+](CCO)CC1 ZINC000842538480 588037165 /nfs/dbraw/zinc/03/71/65/588037165.db2.gz KWBXZMBEJSNLCM-UHFFFAOYSA-N 1 0 229.324 -0.255 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)CO ZINC000843061824 645261217 /nfs/dbraw/zinc/26/12/17/645261217.db2.gz CSBGVTRCXAZMPP-UHFFFAOYSA-N 1 0 212.293 -0.266 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC1(CO)CCC1 ZINC000843075186 588079502 /nfs/dbraw/zinc/07/95/02/588079502.db2.gz FZVQICIGXLKNEX-UHFFFAOYSA-N 1 0 224.304 -0.122 20 30 BBEDRO C=CC[C@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000843075839 588079405 /nfs/dbraw/zinc/07/94/05/588079405.db2.gz ATKHSNXQLCAYAW-SECBINFHSA-N 1 0 216.281 -0.077 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000843075840 588079537 /nfs/dbraw/zinc/07/95/37/588079537.db2.gz ATKHSNXQLCAYAW-VIFPVBQESA-N 1 0 216.281 -0.077 20 30 BBEDRO C#CC[C@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000843076328 586136493 /nfs/dbraw/zinc/13/64/93/586136493.db2.gz GPKZNCZMRDJLPJ-SECBINFHSA-N 1 0 214.265 -0.630 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000843076330 586136366 /nfs/dbraw/zinc/13/63/66/586136366.db2.gz GPKZNCZMRDJLPJ-VIFPVBQESA-N 1 0 214.265 -0.630 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC1(CO)CC1 ZINC000843076495 588079460 /nfs/dbraw/zinc/07/94/60/588079460.db2.gz WFTWFWGWZNGICT-UHFFFAOYSA-N 1 0 210.277 -0.512 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000843077103 588079852 /nfs/dbraw/zinc/07/98/52/588079852.db2.gz MCULUJZETUSPMN-NEPJUHHUSA-N 1 0 239.319 -0.833 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000843077106 645261252 /nfs/dbraw/zinc/26/12/52/645261252.db2.gz MCULUJZETUSPMN-RYUDHWBXSA-N 1 0 239.319 -0.833 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000843077107 645259656 /nfs/dbraw/zinc/25/96/56/645259656.db2.gz MCULUJZETUSPMN-VXGBXAGGSA-N 1 0 239.319 -0.833 20 30 BBEDRO C[NH2+]C[C@@H](O)CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000843077447 645259611 /nfs/dbraw/zinc/25/96/11/645259611.db2.gz DIWYWWJMDCATHT-CHWSQXEVSA-N 1 0 249.314 -0.238 20 30 BBEDRO C[NH2+]C[C@@H](O)CNC[C@H](O)c1ccc(C#N)cc1 ZINC000843077448 645260407 /nfs/dbraw/zinc/26/04/07/645260407.db2.gz DIWYWWJMDCATHT-OLZOCXBDSA-N 1 0 249.314 -0.238 20 30 BBEDRO C[NH2+]C[C@H](O)CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000843077449 645259481 /nfs/dbraw/zinc/25/94/81/645259481.db2.gz DIWYWWJMDCATHT-QWHCGFSZSA-N 1 0 249.314 -0.238 20 30 BBEDRO C[NH2+]C[C@H](O)CNC[C@H](O)c1ccc(C#N)cc1 ZINC000843077450 645259359 /nfs/dbraw/zinc/25/93/59/645259359.db2.gz DIWYWWJMDCATHT-STQMWFEESA-N 1 0 249.314 -0.238 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CSC ZINC000843077666 645262513 /nfs/dbraw/zinc/26/25/13/645262513.db2.gz PMXXSWQULFDEHJ-BDAKNGLRSA-N 1 0 203.307 -0.316 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CSC ZINC000843077667 645262115 /nfs/dbraw/zinc/26/21/15/645262115.db2.gz PMXXSWQULFDEHJ-DTWKUNHWSA-N 1 0 203.307 -0.316 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CSC ZINC000843077668 645262414 /nfs/dbraw/zinc/26/24/14/645262414.db2.gz PMXXSWQULFDEHJ-IUCAKERBSA-N 1 0 203.307 -0.316 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CSC ZINC000843077669 645261810 /nfs/dbraw/zinc/26/18/10/645261810.db2.gz PMXXSWQULFDEHJ-RKDXNWHRSA-N 1 0 203.307 -0.316 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CCOCC ZINC000843077714 645261952 /nfs/dbraw/zinc/26/19/52/645261952.db2.gz QEVUWKJWRFJBND-GHMZBOCLSA-N 1 0 215.293 -0.252 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CCOCC ZINC000843077715 645262127 /nfs/dbraw/zinc/26/21/27/645262127.db2.gz QEVUWKJWRFJBND-MNOVXSKESA-N 1 0 215.293 -0.252 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CCOCC ZINC000843077716 645262545 /nfs/dbraw/zinc/26/25/45/645262545.db2.gz QEVUWKJWRFJBND-QWRGUYRKSA-N 1 0 215.293 -0.252 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CCOCC ZINC000843077717 645262108 /nfs/dbraw/zinc/26/21/08/645262108.db2.gz QEVUWKJWRFJBND-WDEREUQCSA-N 1 0 215.293 -0.252 20 30 BBEDRO OCC#CC[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000843078563 645262693 /nfs/dbraw/zinc/26/26/93/645262693.db2.gz CIJBXPCLLDUHKQ-LLVKDONJSA-N 1 0 224.235 -0.161 20 30 BBEDRO OCC#CC[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000843078564 645262566 /nfs/dbraw/zinc/26/25/66/645262566.db2.gz CIJBXPCLLDUHKQ-NSHDSACASA-N 1 0 224.235 -0.161 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000843079100 645261959 /nfs/dbraw/zinc/26/19/59/645261959.db2.gz YATYCKNIIJVRGG-BDAKNGLRSA-N 1 0 219.306 -0.607 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000843079101 645262209 /nfs/dbraw/zinc/26/22/09/645262209.db2.gz YATYCKNIIJVRGG-DTWKUNHWSA-N 1 0 219.306 -0.607 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000843079102 588080132 /nfs/dbraw/zinc/08/01/32/588080132.db2.gz YATYCKNIIJVRGG-IUCAKERBSA-N 1 0 219.306 -0.607 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000843079103 588079941 /nfs/dbraw/zinc/07/99/41/588079941.db2.gz YATYCKNIIJVRGG-RKDXNWHRSA-N 1 0 219.306 -0.607 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000843079996 588080267 /nfs/dbraw/zinc/08/02/67/588080267.db2.gz PNCZTIWSGXZCCX-NEPJUHHUSA-N 1 0 241.335 -0.447 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000843079997 588080202 /nfs/dbraw/zinc/08/02/02/588080202.db2.gz PNCZTIWSGXZCCX-NWDGAFQWSA-N 1 0 241.335 -0.447 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000843079998 588079954 /nfs/dbraw/zinc/07/99/54/588079954.db2.gz PNCZTIWSGXZCCX-RYUDHWBXSA-N 1 0 241.335 -0.447 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000843079999 645260682 /nfs/dbraw/zinc/26/06/82/645260682.db2.gz PNCZTIWSGXZCCX-VXGBXAGGSA-N 1 0 241.335 -0.447 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000843093384 588078755 /nfs/dbraw/zinc/07/87/55/588078755.db2.gz QKXGBPHTBSGUNV-GHMZBOCLSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000843093387 588078369 /nfs/dbraw/zinc/07/83/69/588078369.db2.gz QKXGBPHTBSGUNV-MNOVXSKESA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000843093389 588078802 /nfs/dbraw/zinc/07/88/02/588078802.db2.gz QKXGBPHTBSGUNV-QWRGUYRKSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000843093393 588078662 /nfs/dbraw/zinc/07/86/62/588078662.db2.gz QKXGBPHTBSGUNV-WDEREUQCSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000843099159 588081078 /nfs/dbraw/zinc/08/10/78/588081078.db2.gz CIHWXBUZGHQRPN-NXEZZACHSA-N 1 0 233.333 -0.217 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000843099161 588081112 /nfs/dbraw/zinc/08/11/12/588081112.db2.gz CIHWXBUZGHQRPN-UWVGGRQHSA-N 1 0 233.333 -0.217 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000843099162 588080965 /nfs/dbraw/zinc/08/09/65/588080965.db2.gz CIHWXBUZGHQRPN-VHSXEESVSA-N 1 0 233.333 -0.217 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000843099164 588081187 /nfs/dbraw/zinc/08/11/87/588081187.db2.gz CIHWXBUZGHQRPN-ZJUUUORDSA-N 1 0 233.333 -0.217 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]CCC(=O)N(C)OC ZINC000843101980 588081529 /nfs/dbraw/zinc/08/15/29/588081529.db2.gz PLLTZHCYGLEGGP-JTQLQIEISA-N 1 0 228.292 -0.240 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]CCC(=O)N(C)OC ZINC000843101981 588081719 /nfs/dbraw/zinc/08/17/19/588081719.db2.gz PLLTZHCYGLEGGP-SNVBAGLBSA-N 1 0 228.292 -0.240 20 30 BBEDRO C=CC[C@@H](CO)C[NH2+]CCS(C)(=O)=O ZINC000843103797 588081810 /nfs/dbraw/zinc/08/18/10/588081810.db2.gz CWFSBGQBIVOWEZ-SECBINFHSA-N 1 0 221.322 -0.195 20 30 BBEDRO C=CC[C@H](CO)C[NH2+]CCS(C)(=O)=O ZINC000843103799 588081391 /nfs/dbraw/zinc/08/13/91/588081391.db2.gz CWFSBGQBIVOWEZ-VIFPVBQESA-N 1 0 221.322 -0.195 20 30 BBEDRO CC#CC[C@@H](CO)NC(=S)NCC[NH+](C)C ZINC000843291004 588097744 /nfs/dbraw/zinc/09/77/44/588097744.db2.gz SPUVDKVSLFYLAW-JTQLQIEISA-N 1 0 243.376 -0.214 20 30 BBEDRO CC#CC[C@H](CO)NC(=S)NCC[NH+](C)C ZINC000843291005 588097854 /nfs/dbraw/zinc/09/78/54/588097854.db2.gz SPUVDKVSLFYLAW-SNVBAGLBSA-N 1 0 243.376 -0.214 20 30 BBEDRO N#Cc1cnccc1CN(CC[NH3+])CCO ZINC000843367763 645287185 /nfs/dbraw/zinc/28/71/85/645287185.db2.gz KKQPLADNTRGMHI-UHFFFAOYSA-N 1 0 220.276 -0.294 20 30 BBEDRO C=CCn1cc(C(=O)N(C)CC[NH2+]C)nn1 ZINC000843452383 588111430 /nfs/dbraw/zinc/11/14/30/588111430.db2.gz DSUNSEYJMDQINE-UHFFFAOYSA-N 1 0 223.280 -0.245 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CSC(=O)N1 ZINC000843458871 588111953 /nfs/dbraw/zinc/11/19/53/588111953.db2.gz ARQGDCFXIOIKHG-ACZMJKKPSA-N 1 0 240.288 -0.961 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CSC(=O)N1 ZINC000843458872 588111686 /nfs/dbraw/zinc/11/16/86/588111686.db2.gz ARQGDCFXIOIKHG-QYNIQEEDSA-N 1 0 240.288 -0.961 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CSC(=O)N1 ZINC000843458873 588112084 /nfs/dbraw/zinc/11/20/84/588112084.db2.gz ARQGDCFXIOIKHG-VQVTYTSYSA-N 1 0 240.288 -0.961 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CSC(=O)N1 ZINC000843458874 588111763 /nfs/dbraw/zinc/11/17/63/588111763.db2.gz ARQGDCFXIOIKHG-XVMARJQXSA-N 1 0 240.288 -0.961 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cncs1 ZINC000843459063 588111901 /nfs/dbraw/zinc/11/19/01/588111901.db2.gz CDVBCPXEWADISF-APPZFPTMSA-N 1 0 236.300 -0.087 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cncs1 ZINC000843459065 588111654 /nfs/dbraw/zinc/11/16/54/588111654.db2.gz CDVBCPXEWADISF-CBAPKCEASA-N 1 0 236.300 -0.087 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1cncs1 ZINC000843459067 588111847 /nfs/dbraw/zinc/11/18/47/588111847.db2.gz CDVBCPXEWADISF-IONNQARKSA-N 1 0 236.300 -0.087 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cncs1 ZINC000843459068 588111700 /nfs/dbraw/zinc/11/17/00/588111700.db2.gz CDVBCPXEWADISF-VXNVDRBHSA-N 1 0 236.300 -0.087 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cn2c(n1)CCC2 ZINC000843459243 588112735 /nfs/dbraw/zinc/11/27/35/588112735.db2.gz CRTRIOYOVYCDGQ-BDAKNGLRSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cn2c(n1)CCC2 ZINC000843459244 588112653 /nfs/dbraw/zinc/11/26/53/588112653.db2.gz CRTRIOYOVYCDGQ-DTWKUNHWSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cn2c(n1)CCC2 ZINC000843459245 588112849 /nfs/dbraw/zinc/11/28/49/588112849.db2.gz CRTRIOYOVYCDGQ-IUCAKERBSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cn2c(n1)CCC2 ZINC000843459246 588112830 /nfs/dbraw/zinc/11/28/30/588112830.db2.gz CRTRIOYOVYCDGQ-RKDXNWHRSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H](O)c1ccccc1 ZINC000843459311 588112387 /nfs/dbraw/zinc/11/23/87/588112387.db2.gz DYGWJURPSXWVOP-GRYCIOLGSA-N 1 0 245.282 -0.052 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H](O)c1ccccc1 ZINC000843459315 588112563 /nfs/dbraw/zinc/11/25/63/588112563.db2.gz DYGWJURPSXWVOP-IJLUTSLNSA-N 1 0 245.282 -0.052 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H](O)c1ccccc1 ZINC000843459317 588112765 /nfs/dbraw/zinc/11/27/65/588112765.db2.gz DYGWJURPSXWVOP-QJPTWQEYSA-N 1 0 245.282 -0.052 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H](O)c1ccccc1 ZINC000843459319 588112227 /nfs/dbraw/zinc/11/22/27/588112227.db2.gz DYGWJURPSXWVOP-SDDRHHMPSA-N 1 0 245.282 -0.052 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H](O)c1ccccc1 ZINC000843459320 588112276 /nfs/dbraw/zinc/11/22/76/588112276.db2.gz DYGWJURPSXWVOP-SRVKXCTJSA-N 1 0 245.282 -0.052 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H](O)c1ccccc1 ZINC000843459322 588112821 /nfs/dbraw/zinc/11/28/21/588112821.db2.gz DYGWJURPSXWVOP-TUAOUCFPSA-N 1 0 245.282 -0.052 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H](O)c1ccccc1 ZINC000843459324 588112461 /nfs/dbraw/zinc/11/24/61/588112461.db2.gz DYGWJURPSXWVOP-UTUOFQBUSA-N 1 0 245.282 -0.052 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H](O)c1ccccc1 ZINC000843459326 588112444 /nfs/dbraw/zinc/11/24/44/588112444.db2.gz DYGWJURPSXWVOP-WOPDTQHZSA-N 1 0 245.282 -0.052 20 30 BBEDRO CC(C)(C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843459440 588112588 /nfs/dbraw/zinc/11/25/88/588112588.db2.gz FDWIUGPDZWVPGF-HTQZYQBOSA-N 1 0 223.276 -0.171 20 30 BBEDRO CC(C)(C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843459441 588112685 /nfs/dbraw/zinc/11/26/85/588112685.db2.gz FDWIUGPDZWVPGF-JGVFFNPUSA-N 1 0 223.276 -0.171 20 30 BBEDRO CC(C)(C)C(=O)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843459442 588112457 /nfs/dbraw/zinc/11/24/57/588112457.db2.gz FDWIUGPDZWVPGF-SFYZADRCSA-N 1 0 223.276 -0.171 20 30 BBEDRO CC(C)(C)C(=O)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843459443 588112325 /nfs/dbraw/zinc/11/23/25/588112325.db2.gz FDWIUGPDZWVPGF-YUMQZZPRSA-N 1 0 223.276 -0.171 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ncccc1O ZINC000843459483 588112787 /nfs/dbraw/zinc/11/27/87/588112787.db2.gz FFIDEMHSWGWEBX-HTQZYQBOSA-N 1 0 232.243 -0.371 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ncccc1O ZINC000843459484 588112547 /nfs/dbraw/zinc/11/25/47/588112547.db2.gz FFIDEMHSWGWEBX-JGVFFNPUSA-N 1 0 232.243 -0.371 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ncccc1O ZINC000843459485 588112798 /nfs/dbraw/zinc/11/27/98/588112798.db2.gz FFIDEMHSWGWEBX-SFYZADRCSA-N 1 0 232.243 -0.371 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ncccc1O ZINC000843459486 588112824 /nfs/dbraw/zinc/11/28/24/588112824.db2.gz FFIDEMHSWGWEBX-YUMQZZPRSA-N 1 0 232.243 -0.371 20 30 BBEDRO COC(=O)C1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000843459734 588112515 /nfs/dbraw/zinc/11/25/15/588112515.db2.gz HRXAIZCIIYOTNG-HTQZYQBOSA-N 1 0 237.259 -0.833 20 30 BBEDRO COC(=O)C1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000843459735 588112333 /nfs/dbraw/zinc/11/23/33/588112333.db2.gz HRXAIZCIIYOTNG-JGVFFNPUSA-N 1 0 237.259 -0.833 20 30 BBEDRO COC(=O)C1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000843459736 588112442 /nfs/dbraw/zinc/11/24/42/588112442.db2.gz HRXAIZCIIYOTNG-SFYZADRCSA-N 1 0 237.259 -0.833 20 30 BBEDRO COC(=O)C1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000843459737 588112842 /nfs/dbraw/zinc/11/28/42/588112842.db2.gz HRXAIZCIIYOTNG-YUMQZZPRSA-N 1 0 237.259 -0.833 20 30 BBEDRO Cc1cc(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n[nH]1 ZINC000843459820 588112630 /nfs/dbraw/zinc/11/26/30/588112630.db2.gz ILZWQJVSLPKVAU-PSASIEDQSA-N 1 0 233.275 -0.512 20 30 BBEDRO Cc1cc(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n[nH]1 ZINC000843459821 588112235 /nfs/dbraw/zinc/11/22/35/588112235.db2.gz ILZWQJVSLPKVAU-SCZZXKLOSA-N 1 0 233.275 -0.512 20 30 BBEDRO Cc1cc(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n[nH]1 ZINC000843459822 588112501 /nfs/dbraw/zinc/11/25/01/588112501.db2.gz ILZWQJVSLPKVAU-WCBMZHEXSA-N 1 0 233.275 -0.512 20 30 BBEDRO Cc1cc(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n[nH]1 ZINC000843459823 588112318 /nfs/dbraw/zinc/11/23/18/588112318.db2.gz ILZWQJVSLPKVAU-WPRPVWTQSA-N 1 0 233.275 -0.512 20 30 BBEDRO C=CCn1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)nn1 ZINC000843460159 588112374 /nfs/dbraw/zinc/11/23/74/588112374.db2.gz MRIDQJRPZDEIJE-BDAKNGLRSA-N 1 0 246.274 -0.695 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)nn1 ZINC000843460161 588112258 /nfs/dbraw/zinc/11/22/58/588112258.db2.gz MRIDQJRPZDEIJE-DTWKUNHWSA-N 1 0 246.274 -0.695 20 30 BBEDRO C=CCn1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)nn1 ZINC000843460163 588112624 /nfs/dbraw/zinc/11/26/24/588112624.db2.gz MRIDQJRPZDEIJE-IUCAKERBSA-N 1 0 246.274 -0.695 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)nn1 ZINC000843460165 588112555 /nfs/dbraw/zinc/11/25/55/588112555.db2.gz MRIDQJRPZDEIJE-RKDXNWHRSA-N 1 0 246.274 -0.695 20 30 BBEDRO CC(=O)NC(C)(C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843461503 588112511 /nfs/dbraw/zinc/11/25/11/588112511.db2.gz LQHOKADOPCQWNV-BDAKNGLRSA-N 1 0 238.291 -0.871 20 30 BBEDRO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843461505 588112203 /nfs/dbraw/zinc/11/22/03/588112203.db2.gz LQHOKADOPCQWNV-DTWKUNHWSA-N 1 0 238.291 -0.871 20 30 BBEDRO CC(=O)NC(C)(C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843461507 588112596 /nfs/dbraw/zinc/11/25/96/588112596.db2.gz LQHOKADOPCQWNV-IUCAKERBSA-N 1 0 238.291 -0.871 20 30 BBEDRO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843461510 588112184 /nfs/dbraw/zinc/11/21/84/588112184.db2.gz LQHOKADOPCQWNV-RKDXNWHRSA-N 1 0 238.291 -0.871 20 30 BBEDRO CCNC(=O)CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843462263 588112527 /nfs/dbraw/zinc/11/25/27/588112527.db2.gz OZWALMXDZMOIJK-BDAKNGLRSA-N 1 0 238.291 -0.870 20 30 BBEDRO CCNC(=O)CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843462266 588112525 /nfs/dbraw/zinc/11/25/25/588112525.db2.gz OZWALMXDZMOIJK-DTWKUNHWSA-N 1 0 238.291 -0.870 20 30 BBEDRO CCNC(=O)CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843462267 588112579 /nfs/dbraw/zinc/11/25/79/588112579.db2.gz OZWALMXDZMOIJK-IUCAKERBSA-N 1 0 238.291 -0.870 20 30 BBEDRO CCNC(=O)CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843462269 588112194 /nfs/dbraw/zinc/11/21/94/588112194.db2.gz OZWALMXDZMOIJK-RKDXNWHRSA-N 1 0 238.291 -0.870 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000843462500 588112347 /nfs/dbraw/zinc/11/23/47/588112347.db2.gz QKFQUUXMKQKFRV-HTRCEHHLSA-N 1 0 249.230 -0.236 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000843462501 588112428 /nfs/dbraw/zinc/11/24/28/588112428.db2.gz QKFQUUXMKQKFRV-POYBYMJQSA-N 1 0 249.230 -0.236 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000843462502 588112811 /nfs/dbraw/zinc/11/28/11/588112811.db2.gz QKFQUUXMKQKFRV-SVRRBLITSA-N 1 0 249.230 -0.236 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000843462503 588112758 /nfs/dbraw/zinc/11/27/58/588112758.db2.gz QKFQUUXMKQKFRV-XPUUQOCRSA-N 1 0 249.230 -0.236 20 30 BBEDRO Cn1cc(/C=C\C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000843463379 588113216 /nfs/dbraw/zinc/11/32/16/588113216.db2.gz WHOABAQIYAKYJI-LVUHIJSRSA-N 1 0 245.286 -0.339 20 30 BBEDRO Cn1cc(/C=C\C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000843463381 588112865 /nfs/dbraw/zinc/11/28/65/588112865.db2.gz WHOABAQIYAKYJI-MMJBKMRYSA-N 1 0 245.286 -0.339 20 30 BBEDRO Cn1cc(/C=C/C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000843463384 588112946 /nfs/dbraw/zinc/11/29/46/588112946.db2.gz WHOABAQIYAKYJI-WUNPDAOYSA-N 1 0 245.286 -0.339 20 30 BBEDRO Cn1cc(/C=C/C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000843463386 588112912 /nfs/dbraw/zinc/11/29/12/588112912.db2.gz WHOABAQIYAKYJI-ZROCKMJXSA-N 1 0 245.286 -0.339 20 30 BBEDRO C=CCn1cc(C(=O)N[C@@H](C)C[NH3+])nn1 ZINC000843469925 588113163 /nfs/dbraw/zinc/11/31/63/588113163.db2.gz ARYFZMLFWRBLER-ZETCQYMHSA-N 1 0 209.253 -0.459 20 30 BBEDRO C=CCn1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nn1 ZINC000843487139 588114746 /nfs/dbraw/zinc/11/47/46/588114746.db2.gz ZUOBWVYGJYITJQ-KOLCDFICSA-N 1 0 247.302 -0.102 20 30 BBEDRO C=CCn1cc(C(=O)NOCC[NH+](C)C)nn1 ZINC000843897735 588148734 /nfs/dbraw/zinc/14/87/34/588148734.db2.gz IWCBGTXXQVSUBD-UHFFFAOYSA-N 1 0 239.279 -0.313 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC(C)(C(N)=O)C1 ZINC000843944460 588150500 /nfs/dbraw/zinc/15/05/00/588150500.db2.gz GVXYJPUKVZKZTQ-UHFFFAOYSA-N 1 0 225.292 -0.562 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@](O)(CC#N)C1 ZINC000844020218 588156586 /nfs/dbraw/zinc/15/65/86/588156586.db2.gz YHZVLRVRVNULJW-GFCCVEGCSA-N 1 0 237.303 -0.019 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC000844020219 588156407 /nfs/dbraw/zinc/15/64/07/588156407.db2.gz YHZVLRVRVNULJW-LBPRGKRZSA-N 1 0 237.303 -0.019 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)CCNC(C)=O ZINC000844026314 588157059 /nfs/dbraw/zinc/15/70/59/588157059.db2.gz WRUKDKTUQRHONK-UHFFFAOYSA-N 1 0 227.308 -0.301 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COC[C@H]1OC ZINC000844026741 588157048 /nfs/dbraw/zinc/15/70/48/588157048.db2.gz CDIZGRRBMUYGJU-NXEZZACHSA-N 1 0 228.292 -0.366 20 30 BBEDRO CC#CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000844033874 588157349 /nfs/dbraw/zinc/15/73/49/588157349.db2.gz FYECTAISHVJCIK-JTQLQIEISA-N 1 0 237.303 -0.412 20 30 BBEDRO CC#CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000844033875 588157456 /nfs/dbraw/zinc/15/74/56/588157456.db2.gz FYECTAISHVJCIK-SNVBAGLBSA-N 1 0 237.303 -0.412 20 30 BBEDRO C#CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000844034426 588157188 /nfs/dbraw/zinc/15/71/88/588157188.db2.gz ADJLFRBUQJJNGS-SECBINFHSA-N 1 0 223.276 -0.802 20 30 BBEDRO C#CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000844034429 588157208 /nfs/dbraw/zinc/15/72/08/588157208.db2.gz ADJLFRBUQJJNGS-VIFPVBQESA-N 1 0 223.276 -0.802 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)N(CC)OC ZINC000844065421 588158555 /nfs/dbraw/zinc/15/85/55/588158555.db2.gz CFFDYLKELMAITM-UHFFFAOYSA-N 1 0 243.307 -0.370 20 30 BBEDRO C#CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000844097408 588167232 /nfs/dbraw/zinc/16/72/32/588167232.db2.gz SLNZDDNHHQTEFA-UHFFFAOYSA-N 1 0 222.288 -0.057 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CN(C)C(=O)[C@H]1C ZINC000844103985 588167750 /nfs/dbraw/zinc/16/77/50/588167750.db2.gz UIRIPQZJBZCTNY-SECBINFHSA-N 1 0 225.292 -0.249 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000844103986 588167761 /nfs/dbraw/zinc/16/77/61/588167761.db2.gz UIRIPQZJBZCTNY-VIFPVBQESA-N 1 0 225.292 -0.249 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)CC#CC ZINC000844112707 588168729 /nfs/dbraw/zinc/16/87/29/588168729.db2.gz NUXAYXFCEVCTFF-LLVKDONJSA-N 1 0 224.304 -0.005 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CO)CC#CC ZINC000844112708 588168823 /nfs/dbraw/zinc/16/88/23/588168823.db2.gz NUXAYXFCEVCTFF-NSHDSACASA-N 1 0 224.304 -0.005 20 30 BBEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)n1cccn1 ZINC000844193224 588172829 /nfs/dbraw/zinc/17/28/29/588172829.db2.gz BFWUECKQENCAMB-BBBLOLIVSA-N 1 0 233.275 -0.328 20 30 BBEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)n1cccn1 ZINC000844193225 588172672 /nfs/dbraw/zinc/17/26/72/588172672.db2.gz BFWUECKQENCAMB-KXUCPTDWSA-N 1 0 233.275 -0.328 20 30 BBEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)n1cccn1 ZINC000844193226 588172956 /nfs/dbraw/zinc/17/29/56/588172956.db2.gz BFWUECKQENCAMB-OPRDCNLKSA-N 1 0 233.275 -0.328 20 30 BBEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)n1cccn1 ZINC000844193227 588172995 /nfs/dbraw/zinc/17/29/95/588172995.db2.gz BFWUECKQENCAMB-UTLUCORTSA-N 1 0 233.275 -0.328 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cn1cccn1 ZINC000844193471 588172915 /nfs/dbraw/zinc/17/29/15/588172915.db2.gz FUKSHMJEOXEKMS-BDAKNGLRSA-N 1 0 219.248 -0.889 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cn1cccn1 ZINC000844193474 588172962 /nfs/dbraw/zinc/17/29/62/588172962.db2.gz FUKSHMJEOXEKMS-DTWKUNHWSA-N 1 0 219.248 -0.889 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cn1cccn1 ZINC000844193476 588172847 /nfs/dbraw/zinc/17/28/47/588172847.db2.gz FUKSHMJEOXEKMS-IUCAKERBSA-N 1 0 219.248 -0.889 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1cccn1 ZINC000844193477 588172733 /nfs/dbraw/zinc/17/27/33/588172733.db2.gz FUKSHMJEOXEKMS-RKDXNWHRSA-N 1 0 219.248 -0.889 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCn1ccnc1 ZINC000844194142 588172826 /nfs/dbraw/zinc/17/28/26/588172826.db2.gz ADCKXDKTBDDJKI-NXEZZACHSA-N 1 0 233.275 -0.499 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCn1ccnc1 ZINC000844194143 588172854 /nfs/dbraw/zinc/17/28/54/588172854.db2.gz ADCKXDKTBDDJKI-UWVGGRQHSA-N 1 0 233.275 -0.499 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCn1ccnc1 ZINC000844194144 588172861 /nfs/dbraw/zinc/17/28/61/588172861.db2.gz ADCKXDKTBDDJKI-VHSXEESVSA-N 1 0 233.275 -0.499 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCn1ccnc1 ZINC000844194145 588172654 /nfs/dbraw/zinc/17/26/54/588172654.db2.gz ADCKXDKTBDDJKI-ZJUUUORDSA-N 1 0 233.275 -0.499 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)COc1cccnc1 ZINC000844194789 588172745 /nfs/dbraw/zinc/17/27/45/588172745.db2.gz LTGXNCWZZGHRLY-GXSJLCMTSA-N 1 0 246.270 -0.312 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)COc1cccnc1 ZINC000844194790 588172684 /nfs/dbraw/zinc/17/26/84/588172684.db2.gz LTGXNCWZZGHRLY-KOLCDFICSA-N 1 0 246.270 -0.312 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)COc1cccnc1 ZINC000844194791 588172859 /nfs/dbraw/zinc/17/28/59/588172859.db2.gz LTGXNCWZZGHRLY-MWLCHTKSSA-N 1 0 246.270 -0.312 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)COc1cccnc1 ZINC000844194792 588172824 /nfs/dbraw/zinc/17/28/24/588172824.db2.gz LTGXNCWZZGHRLY-ONGXEEELSA-N 1 0 246.270 -0.312 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccncc1 ZINC000844195754 588173149 /nfs/dbraw/zinc/17/31/49/588173149.db2.gz ZTMQMSSSZZVZLU-GHMZBOCLSA-N 1 0 230.271 -0.148 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccncc1 ZINC000844195755 588173544 /nfs/dbraw/zinc/17/35/44/588173544.db2.gz ZTMQMSSSZZVZLU-MNOVXSKESA-N 1 0 230.271 -0.148 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccncc1 ZINC000844195756 588173522 /nfs/dbraw/zinc/17/35/22/588173522.db2.gz ZTMQMSSSZZVZLU-QWRGUYRKSA-N 1 0 230.271 -0.148 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccncc1 ZINC000844195757 588173294 /nfs/dbraw/zinc/17/32/94/588173294.db2.gz ZTMQMSSSZZVZLU-WDEREUQCSA-N 1 0 230.271 -0.148 20 30 BBEDRO C#CCNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000844269895 582578459 /nfs/dbraw/zinc/57/84/59/582578459.db2.gz AACJWFRSCMDUDI-NXEZZACHSA-N 1 0 225.292 -0.375 20 30 BBEDRO C#CCCCN1CCn2nnc(CO)c2C1 ZINC000844333444 588186051 /nfs/dbraw/zinc/18/60/51/588186051.db2.gz LURLCKMWYAYBDZ-UHFFFAOYSA-N 1 0 220.276 -0.001 20 30 BBEDRO C#CCNC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000844364073 588187841 /nfs/dbraw/zinc/18/78/41/588187841.db2.gz NCQWSEVABSWRDZ-UHFFFAOYSA-N 1 0 236.315 -0.027 20 30 BBEDRO C#CCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844378668 645321097 /nfs/dbraw/zinc/32/10/97/645321097.db2.gz LOPYAZXYDRVRND-UHFFFAOYSA-N 1 0 209.293 -0.675 20 30 BBEDRO C#CCCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844379455 645322113 /nfs/dbraw/zinc/32/21/13/645322113.db2.gz DRTDERGMIPUYJM-UHFFFAOYSA-N 1 0 223.320 -0.285 20 30 BBEDRO C#CCNC(=O)C[NH2+]C1(CC(=O)OC)CC1 ZINC000844385663 645327763 /nfs/dbraw/zinc/32/77/63/645327763.db2.gz GFVVPTMCSNTFDU-UHFFFAOYSA-N 1 0 224.260 -0.579 20 30 BBEDRO COC(=O)CC1([NH2+]CC(=O)NCCC#N)CC1 ZINC000844387936 588188915 /nfs/dbraw/zinc/18/89/15/588188915.db2.gz USIOJHWZTSAJPV-UHFFFAOYSA-N 1 0 239.275 -0.298 20 30 BBEDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCO[C@@H](C)C#N ZINC000844392602 588189493 /nfs/dbraw/zinc/18/94/93/588189493.db2.gz AAQRAKYIRQZXTR-GARJFASQSA-N 1 0 228.292 -0.003 20 30 BBEDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCO[C@H](C)C#N ZINC000844392603 588189537 /nfs/dbraw/zinc/18/95/37/588189537.db2.gz AAQRAKYIRQZXTR-OUAUKWLOSA-N 1 0 228.292 -0.003 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H](O)C[C@H]1COC ZINC000844392898 588189453 /nfs/dbraw/zinc/18/94/53/588189453.db2.gz BWYZZGKHRWKWOW-WDEREUQCSA-N 1 0 240.303 -0.793 20 30 BBEDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCO[C@H](C)C#N ZINC000844404287 582580812 /nfs/dbraw/zinc/58/08/12/582580812.db2.gz AAQRAKYIRQZXTR-GMTAPVOTSA-N 1 0 228.292 -0.003 20 30 BBEDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCO[C@@H](C)C#N ZINC000844404288 582580804 /nfs/dbraw/zinc/58/08/04/582580804.db2.gz AAQRAKYIRQZXTR-HBNTYKKESA-N 1 0 228.292 -0.003 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000844404441 588190276 /nfs/dbraw/zinc/19/02/76/588190276.db2.gz BWYZZGKHRWKWOW-GHMZBOCLSA-N 1 0 240.303 -0.793 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844432644 588192457 /nfs/dbraw/zinc/19/24/57/588192457.db2.gz GYTBSPXSHHSZLJ-XQJJYNOISA-N 1 0 240.328 -0.669 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844432651 588192452 /nfs/dbraw/zinc/19/24/52/588192452.db2.gz GYTBSPXSHHSZLJ-PUTJDCORSA-N 1 0 240.328 -0.669 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H](C)CCO ZINC000844446052 588194307 /nfs/dbraw/zinc/19/43/07/588194307.db2.gz BUVIKCKKVBWKRI-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@H](C)CCO ZINC000844446053 588194278 /nfs/dbraw/zinc/19/42/78/588194278.db2.gz BUVIKCKKVBWKRI-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO C[C@H](CCO)[N@H+](C)CC(=O)NCCC#N ZINC000844446801 588194365 /nfs/dbraw/zinc/19/43/65/588194365.db2.gz JHCLMUSUAUXDSM-SECBINFHSA-N 1 0 213.281 -0.281 20 30 BBEDRO C[C@@H](CCO)[N@H+](C)CC(=O)NCCC#N ZINC000844446802 588194319 /nfs/dbraw/zinc/19/43/19/588194319.db2.gz JHCLMUSUAUXDSM-VIFPVBQESA-N 1 0 213.281 -0.281 20 30 BBEDRO Cc1cc(NCCn2cnnn2)c(C#N)cn1 ZINC000845574492 588233517 /nfs/dbraw/zinc/23/35/17/588233517.db2.gz LHIJEZPUUAQGEG-UHFFFAOYSA-N 1 0 229.247 -0.218 20 30 BBEDRO C=C(C)CONC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000845605350 582614614 /nfs/dbraw/zinc/61/46/14/582614614.db2.gz LEEKMMJJGXXDOG-LLVKDONJSA-N 1 0 243.307 -0.140 20 30 BBEDRO C=C(C)CONC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000845605351 582614324 /nfs/dbraw/zinc/61/43/24/582614324.db2.gz LEEKMMJJGXXDOG-NSHDSACASA-N 1 0 243.307 -0.140 20 30 BBEDRO C=C[C@H](C)ONC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000845622133 582619431 /nfs/dbraw/zinc/61/94/31/582619431.db2.gz AAFWJJWWDZWCFF-GXSJLCMTSA-N 1 0 243.307 -0.142 20 30 BBEDRO C=C[C@@H](C)ONC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000845622137 582619518 /nfs/dbraw/zinc/61/95/18/582619518.db2.gz AAFWJJWWDZWCFF-KOLCDFICSA-N 1 0 243.307 -0.142 20 30 BBEDRO C=C[C@@H](C)ONC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000845622140 582619468 /nfs/dbraw/zinc/61/94/68/582619468.db2.gz AAFWJJWWDZWCFF-MWLCHTKSSA-N 1 0 243.307 -0.142 20 30 BBEDRO C=C[C@H](C)ONC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000845622142 582619272 /nfs/dbraw/zinc/61/92/72/582619272.db2.gz AAFWJJWWDZWCFF-ONGXEEELSA-N 1 0 243.307 -0.142 20 30 BBEDRO CCO[C@@H]1CN(C(=O)NCCC#N)C[C@H]1C[NH3+] ZINC000846161598 588259143 /nfs/dbraw/zinc/25/91/43/588259143.db2.gz DHRBQCMLWSIAAN-NXEZZACHSA-N 1 0 240.307 -0.095 20 30 BBEDRO CC#CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846356395 588264810 /nfs/dbraw/zinc/26/48/10/588264810.db2.gz GLJFXFGBXLNDEL-UHFFFAOYSA-N 1 0 237.303 -0.758 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](O)C[C@H]1COC ZINC000846436698 588266329 /nfs/dbraw/zinc/26/63/29/588266329.db2.gz VEHKDIXBLHSIQQ-WDEREUQCSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000846437526 588266249 /nfs/dbraw/zinc/26/62/49/588266249.db2.gz IPCNBLSITANHDP-DTORHVGOSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](O)C[C@@H]1COC ZINC000846452454 588266553 /nfs/dbraw/zinc/26/65/53/588266553.db2.gz VEHKDIXBLHSIQQ-GHMZBOCLSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCN1CCCC1=O ZINC000846465228 588267104 /nfs/dbraw/zinc/26/71/04/588267104.db2.gz UWFJUGSTIOHHNJ-UHFFFAOYSA-N 1 0 239.319 -0.157 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)N(C)OCC ZINC000846508023 588269310 /nfs/dbraw/zinc/26/93/10/588269310.db2.gz KWTZBKHECXKVGU-UHFFFAOYSA-N 1 0 243.307 -0.370 20 30 BBEDRO C=C(CO)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000846556999 588277559 /nfs/dbraw/zinc/27/75/59/588277559.db2.gz DTIXKMSXPMIGKE-UHFFFAOYSA-N 1 0 238.291 -0.068 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000846561198 588277663 /nfs/dbraw/zinc/27/76/63/588277663.db2.gz PFFGGQNTXYKFQD-XQJJYNOISA-N 1 0 242.344 -0.164 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000846561200 588277677 /nfs/dbraw/zinc/27/76/77/588277677.db2.gz PFFGGQNTXYKFQD-PUTJDCORSA-N 1 0 242.344 -0.164 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)CCF ZINC000846565533 588277915 /nfs/dbraw/zinc/27/79/15/588277915.db2.gz UFMFWWPYTPQBMF-SECBINFHSA-N 1 0 218.272 -0.059 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CO)CCF ZINC000846565534 588277953 /nfs/dbraw/zinc/27/79/53/588277953.db2.gz UFMFWWPYTPQBMF-VIFPVBQESA-N 1 0 218.272 -0.059 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C[C@H]1CCCO1 ZINC000846677284 588282425 /nfs/dbraw/zinc/28/24/25/588282425.db2.gz LAMSBNXFGVOYMF-AEJSXWLSSA-N 1 0 223.276 -0.217 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C[C@H]1CCCO1 ZINC000846677286 588282442 /nfs/dbraw/zinc/28/24/42/588282442.db2.gz LAMSBNXFGVOYMF-IVZWLZJFSA-N 1 0 223.276 -0.217 20 30 BBEDRO Cc1nnsc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000846677413 588282249 /nfs/dbraw/zinc/28/22/49/588282249.db2.gz MPMAZBLOEBVCBZ-BQBZGAKWSA-N 1 0 237.288 -0.312 20 30 BBEDRO Cc1nnsc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000846677414 588282230 /nfs/dbraw/zinc/28/22/30/588282230.db2.gz MPMAZBLOEBVCBZ-NKWVEPMBSA-N 1 0 237.288 -0.312 20 30 BBEDRO Cc1nnsc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000846677415 588282450 /nfs/dbraw/zinc/28/24/50/588282450.db2.gz MPMAZBLOEBVCBZ-RNFRBKRXSA-N 1 0 237.288 -0.312 20 30 BBEDRO Cc1nnsc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000846677416 588282330 /nfs/dbraw/zinc/28/23/30/588282330.db2.gz MPMAZBLOEBVCBZ-RQJHMYQMSA-N 1 0 237.288 -0.312 20 30 BBEDRO CCn1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000846677886 588282187 /nfs/dbraw/zinc/28/21/87/588282187.db2.gz QATZKTXMGDVIDR-GXSJLCMTSA-N 1 0 247.302 -0.327 20 30 BBEDRO CCn1ccc(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000846677890 588282300 /nfs/dbraw/zinc/28/23/00/588282300.db2.gz QATZKTXMGDVIDR-KOLCDFICSA-N 1 0 247.302 -0.327 20 30 BBEDRO CCn1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000846677891 588282204 /nfs/dbraw/zinc/28/22/04/588282204.db2.gz QATZKTXMGDVIDR-MWLCHTKSSA-N 1 0 247.302 -0.327 20 30 BBEDRO CCn1ccc(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000846677894 588282167 /nfs/dbraw/zinc/28/21/67/588282167.db2.gz QATZKTXMGDVIDR-ONGXEEELSA-N 1 0 247.302 -0.327 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC(F)(F)CN ZINC000846678125 588282347 /nfs/dbraw/zinc/28/23/47/588282347.db2.gz RAJKLCGALCJOJF-BQBZGAKWSA-N 1 0 232.234 -0.802 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC(F)(F)CN ZINC000846678127 588282274 /nfs/dbraw/zinc/28/22/74/588282274.db2.gz RAJKLCGALCJOJF-NKWVEPMBSA-N 1 0 232.234 -0.802 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC(F)(F)CN ZINC000846678129 588282358 /nfs/dbraw/zinc/28/23/58/588282358.db2.gz RAJKLCGALCJOJF-RNFRBKRXSA-N 1 0 232.234 -0.802 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC(F)(F)CN ZINC000846678131 588282332 /nfs/dbraw/zinc/28/23/32/588282332.db2.gz RAJKLCGALCJOJF-RQJHMYQMSA-N 1 0 232.234 -0.802 20 30 BBEDRO COc1ncccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000846678406 588282290 /nfs/dbraw/zinc/28/22/90/588282290.db2.gz STXGLAGSNSHPCH-PSASIEDQSA-N 1 0 246.270 -0.068 20 30 BBEDRO COc1ncccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000846678407 588282180 /nfs/dbraw/zinc/28/21/80/588282180.db2.gz STXGLAGSNSHPCH-SCZZXKLOSA-N 1 0 246.270 -0.068 20 30 BBEDRO COc1ncccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000846678408 588282446 /nfs/dbraw/zinc/28/24/46/588282446.db2.gz STXGLAGSNSHPCH-WCBMZHEXSA-N 1 0 246.270 -0.068 20 30 BBEDRO COc1ncccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000846678409 588282309 /nfs/dbraw/zinc/28/23/09/588282309.db2.gz STXGLAGSNSHPCH-WPRPVWTQSA-N 1 0 246.270 -0.068 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ncn1 ZINC000846678898 588282182 /nfs/dbraw/zinc/28/21/82/588282182.db2.gz XEHHOEWTECMZGO-PSASIEDQSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)ncn1 ZINC000846678899 588282435 /nfs/dbraw/zinc/28/24/35/588282435.db2.gz XEHHOEWTECMZGO-SCZZXKLOSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ncn1 ZINC000846678900 588282432 /nfs/dbraw/zinc/28/24/32/588282432.db2.gz XEHHOEWTECMZGO-WCBMZHEXSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)ncn1 ZINC000846678901 588282298 /nfs/dbraw/zinc/28/22/98/588282298.db2.gz XEHHOEWTECMZGO-WPRPVWTQSA-N 1 0 231.259 -0.374 20 30 BBEDRO C#CCNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000846682914 588282695 /nfs/dbraw/zinc/28/26/95/588282695.db2.gz CSLNSERECPZTBP-VIFPVBQESA-N 1 0 223.276 -0.924 20 30 BBEDRO C#CC1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000846701841 588283668 /nfs/dbraw/zinc/28/36/68/588283668.db2.gz DPLHOTXEABEDIW-SECBINFHSA-N 1 0 206.245 -0.253 20 30 BBEDRO C#CC1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000846701843 588283937 /nfs/dbraw/zinc/28/39/37/588283937.db2.gz DPLHOTXEABEDIW-VIFPVBQESA-N 1 0 206.245 -0.253 20 30 BBEDRO C#CCN1C(=O)C[C@@H]([NH2+][C@@H]2CCCN(C)C2)C1=O ZINC000846702372 588283874 /nfs/dbraw/zinc/28/38/74/588283874.db2.gz MYSBSKLLYNMPEI-GHMZBOCLSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCN1C(=O)C[C@H]([NH2+][C@@H]2CCCN(C)C2)C1=O ZINC000846702373 588283852 /nfs/dbraw/zinc/28/38/52/588283852.db2.gz MYSBSKLLYNMPEI-MNOVXSKESA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCN1C(=O)C[C@H]([NH2+][C@H]2CCCN(C)C2)C1=O ZINC000846702374 588283813 /nfs/dbraw/zinc/28/38/13/588283813.db2.gz MYSBSKLLYNMPEI-QWRGUYRKSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCN1C(=O)C[C@@H]([NH2+][C@H]2CCCN(C)C2)C1=O ZINC000846702375 588283580 /nfs/dbraw/zinc/28/35/80/588283580.db2.gz MYSBSKLLYNMPEI-WDEREUQCSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H]2CO)C1=O ZINC000846702752 588283782 /nfs/dbraw/zinc/28/37/82/588283782.db2.gz PUHLFFJLEBWUFC-NXEZZACHSA-N 1 0 236.271 -0.796 20 30 BBEDRO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@H]2CO)C1=O ZINC000846702753 588283676 /nfs/dbraw/zinc/28/36/76/588283676.db2.gz PUHLFFJLEBWUFC-UWVGGRQHSA-N 1 0 236.271 -0.796 20 30 BBEDRO C#CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H]2CO)C1=O ZINC000846702755 588283885 /nfs/dbraw/zinc/28/38/85/588283885.db2.gz PUHLFFJLEBWUFC-VHSXEESVSA-N 1 0 236.271 -0.796 20 30 BBEDRO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@@H]2CO)C1=O ZINC000846702757 588283859 /nfs/dbraw/zinc/28/38/59/588283859.db2.gz PUHLFFJLEBWUFC-ZJUUUORDSA-N 1 0 236.271 -0.796 20 30 BBEDRO C#CCN1C(=O)C[C@H]([NH2+]C2CCOCC2)C1=O ZINC000846704576 588283746 /nfs/dbraw/zinc/28/37/46/588283746.db2.gz VUOYSMKBDWBZOD-JTQLQIEISA-N 1 0 236.271 -0.484 20 30 BBEDRO C#CCN1C(=O)C[C@@H]([NH2+]C2CCOCC2)C1=O ZINC000846704578 588283867 /nfs/dbraw/zinc/28/38/67/588283867.db2.gz VUOYSMKBDWBZOD-SNVBAGLBSA-N 1 0 236.271 -0.484 20 30 BBEDRO C#CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000846760235 588286199 /nfs/dbraw/zinc/28/61/99/588286199.db2.gz FENVADFVHYDMIM-VHSXEESVSA-N 1 0 223.276 -0.920 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000846834778 588291922 /nfs/dbraw/zinc/29/19/22/588291922.db2.gz FOQUSPZGZRFFNH-LLVKDONJSA-N 1 0 246.314 -0.041 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000846834780 588291985 /nfs/dbraw/zinc/29/19/85/588291985.db2.gz FOQUSPZGZRFFNH-NSHDSACASA-N 1 0 246.314 -0.041 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000846959489 588298671 /nfs/dbraw/zinc/29/86/71/588298671.db2.gz LPTDWFZBCJPFSC-BDAKNGLRSA-N 1 0 210.277 -0.515 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000846959493 588298567 /nfs/dbraw/zinc/29/85/67/588298567.db2.gz LPTDWFZBCJPFSC-DTWKUNHWSA-N 1 0 210.277 -0.515 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000846959495 588298635 /nfs/dbraw/zinc/29/86/35/588298635.db2.gz LPTDWFZBCJPFSC-IUCAKERBSA-N 1 0 210.277 -0.515 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000846959498 588298664 /nfs/dbraw/zinc/29/86/64/588298664.db2.gz LPTDWFZBCJPFSC-RKDXNWHRSA-N 1 0 210.277 -0.515 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CCN(OC)CC1 ZINC000846970339 588299042 /nfs/dbraw/zinc/29/90/42/588299042.db2.gz DPUAXIPYWXGDFW-UHFFFAOYSA-N 1 0 225.292 -0.695 20 30 BBEDRO C#C[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000847023171 588303073 /nfs/dbraw/zinc/30/30/73/588303073.db2.gz BEDRVRFEHQKNFF-JTQLQIEISA-N 1 0 230.333 -0.119 20 30 BBEDRO C#C[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000847023173 588303318 /nfs/dbraw/zinc/30/33/18/588303318.db2.gz BEDRVRFEHQKNFF-SNVBAGLBSA-N 1 0 230.333 -0.119 20 30 BBEDRO C#C[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000847023486 588303212 /nfs/dbraw/zinc/30/32/12/588303212.db2.gz MYUQWSBXZJGSJU-SECBINFHSA-N 1 0 223.276 -0.083 20 30 BBEDRO C#C[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000847023488 588303258 /nfs/dbraw/zinc/30/32/58/588303258.db2.gz MYUQWSBXZJGSJU-VIFPVBQESA-N 1 0 223.276 -0.083 20 30 BBEDRO C#C[C@@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000847025149 588303644 /nfs/dbraw/zinc/30/36/44/588303644.db2.gz NBGJAGJPFSDITL-SECBINFHSA-N 1 0 216.306 -0.380 20 30 BBEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000847025154 588303623 /nfs/dbraw/zinc/30/36/23/588303623.db2.gz BTAWDZCOLIYCGU-MRVPVSSYSA-N 1 0 209.249 -0.474 20 30 BBEDRO C#C[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000847025158 588303690 /nfs/dbraw/zinc/30/36/90/588303690.db2.gz BTAWDZCOLIYCGU-QMMMGPOBSA-N 1 0 209.249 -0.474 20 30 BBEDRO C#C[C@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000847025164 588303910 /nfs/dbraw/zinc/30/39/10/588303910.db2.gz NBGJAGJPFSDITL-VIFPVBQESA-N 1 0 216.306 -0.380 20 30 BBEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000847026100 588303880 /nfs/dbraw/zinc/30/38/80/588303880.db2.gz DKRUCGFMDZJUTA-BDAKNGLRSA-N 1 0 223.276 -0.085 20 30 BBEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000847026103 588303849 /nfs/dbraw/zinc/30/38/49/588303849.db2.gz DKRUCGFMDZJUTA-DTWKUNHWSA-N 1 0 223.276 -0.085 20 30 BBEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000847026107 588303657 /nfs/dbraw/zinc/30/36/57/588303657.db2.gz DKRUCGFMDZJUTA-IUCAKERBSA-N 1 0 223.276 -0.085 20 30 BBEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000847026111 588303725 /nfs/dbraw/zinc/30/37/25/588303725.db2.gz DKRUCGFMDZJUTA-RKDXNWHRSA-N 1 0 223.276 -0.085 20 30 BBEDRO C[C@@H](C#N)OCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847048733 588304919 /nfs/dbraw/zinc/30/49/19/588304919.db2.gz KCTFGTJSDQHFRO-SDDRHHMPSA-N 1 0 239.319 -0.334 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C[C@H](C)O)C1CC1 ZINC000847105834 588306476 /nfs/dbraw/zinc/30/64/76/588306476.db2.gz NBYYMUXWVALSOS-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C[C@@H](C)O)C1CC1 ZINC000847105835 588306662 /nfs/dbraw/zinc/30/66/62/588306662.db2.gz NBYYMUXWVALSOS-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCCN(C=O)CC1 ZINC000847369024 588311721 /nfs/dbraw/zinc/31/17/21/588311721.db2.gz DVAOPQIZZADEPU-UHFFFAOYSA-N 1 0 239.319 -0.205 20 30 BBEDRO C=CCONC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847381520 588311947 /nfs/dbraw/zinc/31/19/47/588311947.db2.gz AKINTRJIVNYBCN-VHSXEESVSA-N 1 0 241.291 -0.436 20 30 BBEDRO C=C(CO)C(=O)NCC[N@H+]1CC=CCC1 ZINC000848021349 588348614 /nfs/dbraw/zinc/34/86/14/588348614.db2.gz XXBXJSNLBKGHJA-UHFFFAOYSA-N 1 0 210.277 -0.087 20 30 BBEDRO C#CC(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000848023177 588348449 /nfs/dbraw/zinc/34/84/49/588348449.db2.gz HHWTWFKFZAKAOS-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CC(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000848023178 588348636 /nfs/dbraw/zinc/34/86/36/588348636.db2.gz HHWTWFKFZAKAOS-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO C=C(CO)C(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000848025441 588348572 /nfs/dbraw/zinc/34/85/72/588348572.db2.gz ULKZPGBPCRERRR-LLVKDONJSA-N 1 0 244.335 -0.256 20 30 BBEDRO C=C(CO)C(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000848025442 588348504 /nfs/dbraw/zinc/34/85/04/588348504.db2.gz ULKZPGBPCRERRR-NSHDSACASA-N 1 0 244.335 -0.256 20 30 BBEDRO C[NH+](C)C1(C(=O)NCC#CCO)CCC1 ZINC000848040675 588349367 /nfs/dbraw/zinc/34/93/67/588349367.db2.gz OCMAGWMFSGERPS-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)O[C@H]1CNOC1 ZINC000848058613 588351572 /nfs/dbraw/zinc/35/15/72/588351572.db2.gz HMKSCMHTXNWFGQ-QMMMGPOBSA-N 1 0 200.238 -0.449 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)OC1=O ZINC000848074989 588354455 /nfs/dbraw/zinc/35/44/55/588354455.db2.gz VLPIJKOPNFUKDN-BDAKNGLRSA-N 1 0 226.276 -0.076 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000848074995 588354485 /nfs/dbraw/zinc/35/44/85/588354485.db2.gz VLPIJKOPNFUKDN-DTWKUNHWSA-N 1 0 226.276 -0.076 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H](C)OC1=O ZINC000848074997 588354591 /nfs/dbraw/zinc/35/45/91/588354591.db2.gz VLPIJKOPNFUKDN-IUCAKERBSA-N 1 0 226.276 -0.076 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)OC1=O ZINC000848074999 588354345 /nfs/dbraw/zinc/35/43/45/588354345.db2.gz VLPIJKOPNFUKDN-RKDXNWHRSA-N 1 0 226.276 -0.076 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(O)C2=O)C1 ZINC000848132116 588359866 /nfs/dbraw/zinc/35/98/66/588359866.db2.gz HTGPORJRSSBFBS-BDAKNGLRSA-N 1 0 241.291 -0.566 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 ZINC000848132120 588360409 /nfs/dbraw/zinc/36/04/09/588360409.db2.gz HTGPORJRSSBFBS-DTWKUNHWSA-N 1 0 241.291 -0.566 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(O)C2=O)C1 ZINC000848132122 588359893 /nfs/dbraw/zinc/35/98/93/588359893.db2.gz HTGPORJRSSBFBS-IUCAKERBSA-N 1 0 241.291 -0.566 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 ZINC000848132129 588359813 /nfs/dbraw/zinc/35/98/13/588359813.db2.gz HTGPORJRSSBFBS-RKDXNWHRSA-N 1 0 241.291 -0.566 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCN(O)C1=O ZINC000848133587 588358913 /nfs/dbraw/zinc/35/89/13/588358913.db2.gz BUEBQYLCETUDQX-SECBINFHSA-N 1 0 241.291 -0.399 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCCN(O)C1=O ZINC000848133588 588359114 /nfs/dbraw/zinc/35/91/14/588359114.db2.gz BUEBQYLCETUDQX-VIFPVBQESA-N 1 0 241.291 -0.399 20 30 BBEDRO CC[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)[NH+](C)C ZINC000848136762 588360648 /nfs/dbraw/zinc/36/06/48/588360648.db2.gz QPFACDTXKCSLOM-BDAKNGLRSA-N 1 0 243.307 -0.177 20 30 BBEDRO CC[C@H](C(=O)N[C@H]1CCCN(O)C1=O)[NH+](C)C ZINC000848136763 588361169 /nfs/dbraw/zinc/36/11/69/588361169.db2.gz QPFACDTXKCSLOM-DTWKUNHWSA-N 1 0 243.307 -0.177 20 30 BBEDRO CC[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)[NH+](C)C ZINC000848136764 588360515 /nfs/dbraw/zinc/36/05/15/588360515.db2.gz QPFACDTXKCSLOM-IUCAKERBSA-N 1 0 243.307 -0.177 20 30 BBEDRO CC[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)[NH+](C)C ZINC000848136765 588360545 /nfs/dbraw/zinc/36/05/45/588360545.db2.gz QPFACDTXKCSLOM-RKDXNWHRSA-N 1 0 243.307 -0.177 20 30 BBEDRO C[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)[NH+](C)C ZINC000848137144 588361246 /nfs/dbraw/zinc/36/12/46/588361246.db2.gz ZMVAFCHNXWFZOS-JGVFFNPUSA-N 1 0 229.280 -0.567 20 30 BBEDRO C[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)[NH+](C)C ZINC000848137145 588361065 /nfs/dbraw/zinc/36/10/65/588361065.db2.gz ZMVAFCHNXWFZOS-YUMQZZPRSA-N 1 0 229.280 -0.567 20 30 BBEDRO CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(O)C1=O ZINC000848138436 588360786 /nfs/dbraw/zinc/36/07/86/588360786.db2.gz MWLPPPUTMQTEQA-SECBINFHSA-N 1 0 243.307 -0.175 20 30 BBEDRO CCC[N@H+](C)CC(=O)N[C@H]1CCCN(O)C1=O ZINC000848138437 588361193 /nfs/dbraw/zinc/36/11/93/588361193.db2.gz MWLPPPUTMQTEQA-VIFPVBQESA-N 1 0 243.307 -0.175 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCc1nnc[nH]1 ZINC000848152793 588361685 /nfs/dbraw/zinc/36/16/85/588361685.db2.gz MGQCLEAEGDDNOI-UHFFFAOYSA-N 1 0 223.280 -0.419 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@](C)(CO)OC ZINC000848266482 588368427 /nfs/dbraw/zinc/36/84/27/588368427.db2.gz ZSZBKWKTOSHYFO-LLVKDONJSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@](C)(CO)OC ZINC000848266483 588368386 /nfs/dbraw/zinc/36/83/86/588368386.db2.gz ZSZBKWKTOSHYFO-NSHDSACASA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCn2nncc2C1 ZINC000848270691 588368926 /nfs/dbraw/zinc/36/89/26/588368926.db2.gz XLGPIZPOBBFVHH-UHFFFAOYSA-N 1 0 235.291 -0.262 20 30 BBEDRO O=C(C#CC1CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307619 588371610 /nfs/dbraw/zinc/37/16/10/588371610.db2.gz YMNLAIOESNNXOJ-NWDGAFQWSA-N 1 0 234.299 -0.323 20 30 BBEDRO CCn1ncnc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000848408766 588379224 /nfs/dbraw/zinc/37/92/24/588379224.db2.gz ZCKMRVKGNGUUDB-SSDOTTSWSA-N 1 0 221.268 -0.431 20 30 BBEDRO CCn1ncnc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000848408767 588378860 /nfs/dbraw/zinc/37/88/60/588378860.db2.gz ZCKMRVKGNGUUDB-ZETCQYMHSA-N 1 0 221.268 -0.431 20 30 BBEDRO Cn1c(C=NNC2=[NH+]CCN2)cnc1Cl ZINC000848411888 588380734 /nfs/dbraw/zinc/38/07/34/588380734.db2.gz DYJBMGXBQRRUEC-UHFFFAOYSA-N 1 0 226.671 -0.044 20 30 BBEDRO C=CCCn1cc(CN(CC[NH3+])CCO)nn1 ZINC000848600173 588399885 /nfs/dbraw/zinc/39/98/85/588399885.db2.gz ZRKCLMWYDLDHAX-UHFFFAOYSA-N 1 0 239.323 -0.393 20 30 BBEDRO C=CCNC(=S)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848650530 588403850 /nfs/dbraw/zinc/40/38/50/588403850.db2.gz PBMJZLQVDNQZGM-VHSXEESVSA-N 1 0 241.360 -0.202 20 30 BBEDRO C#CCNC(=S)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848650691 588403814 /nfs/dbraw/zinc/40/38/14/588403814.db2.gz RPAIKRWLGHFRBZ-VHSXEESVSA-N 1 0 239.344 -0.755 20 30 BBEDRO C#CCC[NH+]1CCN(c2cc(=O)n(C)cn2)CC1 ZINC000848662542 588404300 /nfs/dbraw/zinc/40/43/00/588404300.db2.gz YZLQQYRAEUYHSU-UHFFFAOYSA-N 1 0 246.314 -0.074 20 30 BBEDRO CN1CC[NH+]=C1NCCCN1CCCC1=O ZINC000848980380 588423047 /nfs/dbraw/zinc/42/30/47/588423047.db2.gz HHSZZSDPZBFSCV-UHFFFAOYSA-N 1 0 224.308 -0.110 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCCN2CCCC2=O)N1 ZINC000848980478 588423108 /nfs/dbraw/zinc/42/31/08/588423108.db2.gz PAQHYUFBAMALQP-SECBINFHSA-N 1 0 224.308 -0.064 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCCN2CCCC2=O)N1 ZINC000848980483 588423324 /nfs/dbraw/zinc/42/33/24/588423324.db2.gz PAQHYUFBAMALQP-VIFPVBQESA-N 1 0 224.308 -0.064 20 30 BBEDRO C[NH+]=C(NCCN1CCOCC1)NC1CC1 ZINC000848980653 588423723 /nfs/dbraw/zinc/42/37/23/588423723.db2.gz CGOCLAUKWWPYQP-UHFFFAOYSA-N 1 0 226.324 -0.354 20 30 BBEDRO C[NH+]=C(NCCOCCO)NC1CC1 ZINC000848980886 588423493 /nfs/dbraw/zinc/42/34/93/588423493.db2.gz DVIVSHQRNQWFNZ-UHFFFAOYSA-N 1 0 201.270 -0.677 20 30 BBEDRO CC(=O)NCC[NH+]=C(N(C)C)N(C)C ZINC000848981260 588423707 /nfs/dbraw/zinc/42/37/07/588423707.db2.gz MINHOXYPZUDVOT-UHFFFAOYSA-N 1 0 200.286 -0.398 20 30 BBEDRO C[NH+]=C(NCCNC(=O)C1CC1)NC1CC1 ZINC000848981373 588423614 /nfs/dbraw/zinc/42/36/14/588423614.db2.gz JRYCFXBDOVLHDT-UHFFFAOYSA-N 1 0 224.308 -0.160 20 30 BBEDRO CN(C)C(=O)C[NH+]=C(N(C)C)N(C)C ZINC000848982011 588424144 /nfs/dbraw/zinc/42/41/44/588424144.db2.gz IGAVUEYEQSYDCO-UHFFFAOYSA-N 1 0 200.286 -0.446 20 30 BBEDRO C=CCNC(=[NH2+])NCCCn1cncn1 ZINC000848984831 588425315 /nfs/dbraw/zinc/42/53/15/588425315.db2.gz IIAJPODEUDMFBA-UHFFFAOYSA-N 1 0 208.269 -0.032 20 30 BBEDRO CNC(NCc1cnn(CCOC)c1)=[NH+]C ZINC000848986974 588425838 /nfs/dbraw/zinc/42/58/38/588425838.db2.gz NBBHFCKWOIPHNT-UHFFFAOYSA-N 1 0 225.296 -0.176 20 30 BBEDRO CNC(NCC1(OCCO)CCOCC1)=[NH+]C ZINC000848987068 588426307 /nfs/dbraw/zinc/42/63/07/588426307.db2.gz OFUFMTYEULZBDZ-UHFFFAOYSA-N 1 0 245.323 -0.661 20 30 BBEDRO CN1CC[NH+]=C1NCCNc1cnccn1 ZINC000848989525 588426609 /nfs/dbraw/zinc/42/66/09/588426609.db2.gz IBFMUVCZJJUYHF-UHFFFAOYSA-N 1 0 220.280 -0.221 20 30 BBEDRO C[NH+]=C(NC[C@@H](C)S(C)(=O)=O)NC1CC1 ZINC000848990369 588427206 /nfs/dbraw/zinc/42/72/06/588427206.db2.gz DXLABKLMUGWDOI-SSDOTTSWSA-N 1 0 233.337 -0.253 20 30 BBEDRO C[NH+]=C(NC[C@H](C)S(C)(=O)=O)NC1CC1 ZINC000848990370 588426961 /nfs/dbraw/zinc/42/69/61/588426961.db2.gz DXLABKLMUGWDOI-ZETCQYMHSA-N 1 0 233.337 -0.253 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H](C)S(C)(=O)=O ZINC000848990405 588426965 /nfs/dbraw/zinc/42/69/65/588426965.db2.gz ILIRUKXLKXTBLC-SSDOTTSWSA-N 1 0 219.310 -0.281 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H](C)S(C)(=O)=O ZINC000848990406 588426968 /nfs/dbraw/zinc/42/69/68/588426968.db2.gz ILIRUKXLKXTBLC-ZETCQYMHSA-N 1 0 219.310 -0.281 20 30 BBEDRO C=CCNC(=[NH2+])NCCS(C)(=O)=O ZINC000848991108 588426990 /nfs/dbraw/zinc/42/69/90/588426990.db2.gz DBMXBGPWOLZRFJ-UHFFFAOYSA-N 1 0 205.283 -0.669 20 30 BBEDRO C[C@H](C[NH+]=C(N(C)C)N(C)C)S(C)(=O)=O ZINC000848991290 588427282 /nfs/dbraw/zinc/42/72/82/588427282.db2.gz VCCHFSRWICESSZ-MRVPVSSYSA-N 1 0 235.353 -0.101 20 30 BBEDRO C[C@@H](C[NH+]=C(N(C)C)N(C)C)S(C)(=O)=O ZINC000848991291 588427589 /nfs/dbraw/zinc/42/75/89/588427589.db2.gz VCCHFSRWICESSZ-QMMMGPOBSA-N 1 0 235.353 -0.101 20 30 BBEDRO C[NH+]=C(NCCCNC(C)=O)NC1CC1 ZINC000848991503 588427594 /nfs/dbraw/zinc/42/75/94/588427594.db2.gz JXDNOQDKRWOJLX-UHFFFAOYSA-N 1 0 212.297 -0.160 20 30 BBEDRO CC(=O)NCCC[NH+]=C(N(C)C)N(C)C ZINC000848991520 588427579 /nfs/dbraw/zinc/42/75/79/588427579.db2.gz LBZMSJKVDSDAEM-UHFFFAOYSA-N 1 0 214.313 -0.008 20 30 BBEDRO CN(C)C(=[NH+]Cc1nncn1C)N(C)C ZINC000848992187 588427418 /nfs/dbraw/zinc/42/74/18/588427418.db2.gz VBHYPMWPPAXIKM-UHFFFAOYSA-N 1 0 210.285 -0.206 20 30 BBEDRO CNC(NCCCNC(=O)C(C)C)=[NH+]C ZINC000848992239 582819847 /nfs/dbraw/zinc/81/98/47/582819847.db2.gz AHAPPRWXZISONW-UHFFFAOYSA-N 1 0 214.313 -0.057 20 30 BBEDRO CNC(NCCN1CCC(OC)CC1)=[NH+]C ZINC000848993201 588428016 /nfs/dbraw/zinc/42/80/16/588428016.db2.gz HMCRIQITIKFVDX-UHFFFAOYSA-N 1 0 228.340 -0.108 20 30 BBEDRO C=CCNC(=[NH2+])NCCCS(C)(=O)=O ZINC000848993258 588427805 /nfs/dbraw/zinc/42/78/05/588427805.db2.gz QPOJECOOCRHUDP-UHFFFAOYSA-N 1 0 219.310 -0.279 20 30 BBEDRO CNC(=O)CC[NH+]=C(N(C)C)N(C)C ZINC000848993632 588428130 /nfs/dbraw/zinc/42/81/30/588428130.db2.gz WHEIWVIABJJSBX-UHFFFAOYSA-N 1 0 200.286 -0.398 20 30 BBEDRO C[NH+]=C(NCCOCCOC)NC1CC1 ZINC000848993808 588428104 /nfs/dbraw/zinc/42/81/04/588428104.db2.gz NQSSOPFFTIXIOC-UHFFFAOYSA-N 1 0 215.297 -0.023 20 30 BBEDRO CNC(=O)CCCNC(NC1CC1)=[NH+]C ZINC000848993999 588428377 /nfs/dbraw/zinc/42/83/77/588428377.db2.gz FAGXAJKHLWSREW-UHFFFAOYSA-N 1 0 212.297 -0.160 20 30 BBEDRO CNC(=O)CCC[NH+]=C(N(C)C)N(C)C ZINC000848994080 588428385 /nfs/dbraw/zinc/42/83/85/588428385.db2.gz PFHIKTQFUPEGBW-UHFFFAOYSA-N 1 0 214.313 -0.008 20 30 BBEDRO CN(C)C(=[NH+]C[C@@H]1COCCO1)N(C)C ZINC000848994747 588422780 /nfs/dbraw/zinc/42/27/80/588422780.db2.gz SBTYDJLLBLUJLO-SECBINFHSA-N 1 0 215.297 -0.119 20 30 BBEDRO CN(C)C(=[NH+]C[C@H]1COCCO1)N(C)C ZINC000848994748 588422751 /nfs/dbraw/zinc/42/27/51/588422751.db2.gz SBTYDJLLBLUJLO-VIFPVBQESA-N 1 0 215.297 -0.119 20 30 BBEDRO C[NH+]=C(NCC1(O)CCOCC1)NC1CC1 ZINC000848999413 588430309 /nfs/dbraw/zinc/43/03/09/588430309.db2.gz CEZTUANXGHQUGF-UHFFFAOYSA-N 1 0 227.308 -0.145 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCN2CCO[C@H](C)C2)N1 ZINC000848999481 588430250 /nfs/dbraw/zinc/43/02/50/588430250.db2.gz KLNFSICMVYRLSP-NXEZZACHSA-N 1 0 226.324 -0.356 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCN2CCO[C@@H](C)C2)N1 ZINC000848999482 588430229 /nfs/dbraw/zinc/43/02/29/588430229.db2.gz KLNFSICMVYRLSP-ZJUUUORDSA-N 1 0 226.324 -0.356 20 30 BBEDRO CCS(=O)(=O)NCCCNC1=[NH+]C[C@@H](C)N1 ZINC000849000634 588430664 /nfs/dbraw/zinc/43/06/64/588430664.db2.gz NWYCJAHBVNFLCR-MRVPVSSYSA-N 1 0 248.352 -0.747 20 30 BBEDRO CCS(=O)(=O)NCCCNC1=[NH+]C[C@H](C)N1 ZINC000849000635 588430686 /nfs/dbraw/zinc/43/06/86/588430686.db2.gz NWYCJAHBVNFLCR-QMMMGPOBSA-N 1 0 248.352 -0.747 20 30 BBEDRO CCS(=O)(=O)NCCCNC1=[NH+]CCN1C ZINC000849000688 588430738 /nfs/dbraw/zinc/43/07/38/588430738.db2.gz ZVLWZUIHUPOKGW-UHFFFAOYSA-N 1 0 248.352 -0.793 20 30 BBEDRO CNC(NCCN1CCOC[C@H]1C)=[NH+]C ZINC000849003508 588431075 /nfs/dbraw/zinc/43/10/75/588431075.db2.gz PSROVNYESSBNTR-SECBINFHSA-N 1 0 214.313 -0.498 20 30 BBEDRO CNC(NCCN1CCOC[C@@H]1C)=[NH+]C ZINC000849003509 588431127 /nfs/dbraw/zinc/43/11/27/588431127.db2.gz PSROVNYESSBNTR-VIFPVBQESA-N 1 0 214.313 -0.498 20 30 BBEDRO C[C@H](CNC1=[NH+]C[C@@H](C)N1)CN1CCOCC1 ZINC000849005851 582822411 /nfs/dbraw/zinc/82/24/11/582822411.db2.gz XGWFPTJKETYLJU-GHMZBOCLSA-N 1 0 240.351 -0.108 20 30 BBEDRO C[C@H](CNC1=[NH+]C[C@H](C)N1)CN1CCOCC1 ZINC000849005854 582822273 /nfs/dbraw/zinc/82/22/73/582822273.db2.gz XGWFPTJKETYLJU-MNOVXSKESA-N 1 0 240.351 -0.108 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCOC[C@@H]2CCOC2)N1 ZINC000849006486 588432938 /nfs/dbraw/zinc/43/29/38/588432938.db2.gz BPDQYAVAKJUWAM-NXEZZACHSA-N 1 0 227.308 -0.023 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCOC[C@H]2CCOC2)N1 ZINC000849006488 588433118 /nfs/dbraw/zinc/43/31/18/588433118.db2.gz BPDQYAVAKJUWAM-ZJUUUORDSA-N 1 0 227.308 -0.023 20 30 BBEDRO CNC(NCCOC[C@@H]1CCOC1)=[NH+]C ZINC000849006847 588432974 /nfs/dbraw/zinc/43/29/74/588432974.db2.gz YSJHJPFSZXVNOD-SECBINFHSA-N 1 0 215.297 -0.166 20 30 BBEDRO CNC(NCCOC[C@H]1CCOC1)=[NH+]C ZINC000849006848 588433125 /nfs/dbraw/zinc/43/31/25/588433125.db2.gz YSJHJPFSZXVNOD-VIFPVBQESA-N 1 0 215.297 -0.166 20 30 BBEDRO CNC(=[NH2+])NCCCc1[nH]nc(N)c1C#N ZINC000849009833 588434211 /nfs/dbraw/zinc/43/42/11/588434211.db2.gz WIIUIXABPYEKDB-UHFFFAOYSA-N 1 0 221.268 -0.460 20 30 BBEDRO C=CCNC(=[NH2+])NCCOCCS(C)(=O)=O ZINC000849010629 588434895 /nfs/dbraw/zinc/43/48/95/588434895.db2.gz UZYMAAXGYMYYDA-UHFFFAOYSA-N 1 0 249.336 -0.652 20 30 BBEDRO C=CCNC(=[NH2+])NCc1nnnn1C1CC1 ZINC000849010763 588435250 /nfs/dbraw/zinc/43/52/50/588435250.db2.gz FRKMWZFIPHPOHJ-UHFFFAOYSA-N 1 0 221.268 -0.192 20 30 BBEDRO CN(C)C(=[NH+]Cc1nnnn1C1CC1)N(C)C ZINC000849010858 588435230 /nfs/dbraw/zinc/43/52/30/588435230.db2.gz OZAUZHGXVXOSSV-UHFFFAOYSA-N 1 0 237.311 -0.013 20 30 BBEDRO C[NH+]=C(NCc1nnnn1C1CC1)NC1CC1 ZINC000849010891 588435002 /nfs/dbraw/zinc/43/50/02/588435002.db2.gz RNTOFDWHWWHSOI-UHFFFAOYSA-N 1 0 235.295 -0.165 20 30 BBEDRO CCc1nncn1CCNC1=[NH+]C[C@@H](C)N1 ZINC000849010993 588435238 /nfs/dbraw/zinc/43/52/38/588435238.db2.gz XHMZKMCCFDXYOC-MRVPVSSYSA-N 1 0 222.296 -0.222 20 30 BBEDRO CCc1nncn1CCNC1=[NH+]C[C@H](C)N1 ZINC000849010995 588434966 /nfs/dbraw/zinc/43/49/66/588434966.db2.gz XHMZKMCCFDXYOC-QMMMGPOBSA-N 1 0 222.296 -0.222 20 30 BBEDRO CN1CC[NH+]=C1NCCCc1[nH]nc(N)c1C#N ZINC000849011498 588435454 /nfs/dbraw/zinc/43/54/54/588435454.db2.gz AJOHULJXRGCHGF-UHFFFAOYSA-N 1 0 247.306 -0.313 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCCc2[nH]nc(N)c2C#N)N1 ZINC000849011710 588435660 /nfs/dbraw/zinc/43/56/60/588435660.db2.gz WKSODQPGOPBUCF-SSDOTTSWSA-N 1 0 247.306 -0.267 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCCc2[nH]nc(N)c2C#N)N1 ZINC000849011711 588435642 /nfs/dbraw/zinc/43/56/42/588435642.db2.gz WKSODQPGOPBUCF-ZETCQYMHSA-N 1 0 247.306 -0.267 20 30 BBEDRO CNC(NCCC1CCS(=O)(=O)CC1)=[NH+]C ZINC000849014983 588436573 /nfs/dbraw/zinc/43/65/73/588436573.db2.gz ZQVDISRAPFCQJZ-UHFFFAOYSA-N 1 0 247.364 -0.004 20 30 BBEDRO CC#CCNC(NCCN1CCOCC1)=[NH+]C ZINC000849015003 588436610 /nfs/dbraw/zinc/43/66/10/588436610.db2.gz LDRVECRSYWDNRI-UHFFFAOYSA-N 1 0 238.335 -0.493 20 30 BBEDRO C[NH+]=C(NCCc1nnnn1C)NC1CC1 ZINC000849015665 588436544 /nfs/dbraw/zinc/43/65/44/588436544.db2.gz AVUUXXGQJUEOAO-UHFFFAOYSA-N 1 0 223.284 -0.920 20 30 BBEDRO CCNC(NCCc1nnnn1C)=[NH+]CC ZINC000849015666 588436617 /nfs/dbraw/zinc/43/66/17/588436617.db2.gz BFIWKIFQQAMZNI-UHFFFAOYSA-N 1 0 225.300 -0.672 20 30 BBEDRO C=CCNC(=[NH2+])NCCc1nnnn1C ZINC000849015802 588437115 /nfs/dbraw/zinc/43/71/15/588437115.db2.gz HBMUEISYBRCUCH-UHFFFAOYSA-N 1 0 209.257 -0.947 20 30 BBEDRO CN(C)C(=[NH+]CCc1nnnn1C)N(C)C ZINC000849015938 588437128 /nfs/dbraw/zinc/43/71/28/588437128.db2.gz LMIFNQWVIVFIPJ-UHFFFAOYSA-N 1 0 225.300 -0.768 20 30 BBEDRO C=CC[C@@H](CO)CNC(=[NH2+])NCCOC ZINC000849016142 588436965 /nfs/dbraw/zinc/43/69/65/588436965.db2.gz ZPWIJQZUURGKPH-SECBINFHSA-N 1 0 215.297 -0.069 20 30 BBEDRO C=CC[C@H](CO)CNC(=[NH2+])NCCOC ZINC000849016143 588437164 /nfs/dbraw/zinc/43/71/64/588437164.db2.gz ZPWIJQZUURGKPH-VIFPVBQESA-N 1 0 215.297 -0.069 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCc1nnnn1C ZINC000849016214 582826584 /nfs/dbraw/zinc/82/65/84/582826584.db2.gz UOWFXZMKSUISHI-UHFFFAOYSA-N 1 0 223.284 -0.557 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NC1CCC1 ZINC000849016336 588437203 /nfs/dbraw/zinc/43/72/03/588437203.db2.gz FHEVIMSRVDGVOF-UHFFFAOYSA-N 1 0 210.281 -0.045 20 30 BBEDRO C[NH+]=C(NCCCOCCO)NC1CC1 ZINC000849016540 588436920 /nfs/dbraw/zinc/43/69/20/588436920.db2.gz OJORJOJTYJALKU-UHFFFAOYSA-N 1 0 215.297 -0.287 20 30 BBEDRO C[NH+]=C(NC[C@H](COC)OC)NC1CC1 ZINC000849017253 588437286 /nfs/dbraw/zinc/43/72/86/588437286.db2.gz OVECJTVIORCWST-SECBINFHSA-N 1 0 215.297 -0.025 20 30 BBEDRO C[NH+]=C(NC[C@@H](COC)OC)NC1CC1 ZINC000849017254 588437426 /nfs/dbraw/zinc/43/74/26/588437426.db2.gz OVECJTVIORCWST-VIFPVBQESA-N 1 0 215.297 -0.025 20 30 BBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NC ZINC000849017290 588437474 /nfs/dbraw/zinc/43/74/74/588437474.db2.gz BDNVCAJPEULEBI-UHFFFAOYSA-N 1 0 205.283 -0.669 20 30 BBEDRO C=CCS(=O)(=O)CCNC1=[NH+]CCCN1C ZINC000849017382 588437379 /nfs/dbraw/zinc/43/73/79/588437379.db2.gz FYNNMPYVNCDUAM-UHFFFAOYSA-N 1 0 245.348 -0.132 20 30 BBEDRO CN(C)C(=[NH+]Cc1cn(C)nn1)N(C)C ZINC000849017457 588437437 /nfs/dbraw/zinc/43/74/37/588437437.db2.gz IXRFSXYAXMKJSA-UHFFFAOYSA-N 1 0 210.285 -0.206 20 30 BBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N1CCC1 ZINC000849017461 588437395 /nfs/dbraw/zinc/43/73/95/588437395.db2.gz IZIMKWXQYWNZLK-UHFFFAOYSA-N 1 0 231.321 -0.183 20 30 BBEDRO CN(C)C(=[NH+]CCCOCCO)N(C)C ZINC000849017480 588437320 /nfs/dbraw/zinc/43/73/20/588437320.db2.gz ZAFBFTDXGPCUSX-UHFFFAOYSA-N 1 0 217.313 -0.135 20 30 BBEDRO C=CCS(=O)(=O)CCNC(NC1CC1)=[NH+]C ZINC000849017545 588437680 /nfs/dbraw/zinc/43/76/80/588437680.db2.gz OCUDTYYQVHILTM-UHFFFAOYSA-N 1 0 245.348 -0.085 20 30 BBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N(C)C ZINC000849017556 588437922 /nfs/dbraw/zinc/43/79/22/588437922.db2.gz PRWOBIFGFGOZCB-UHFFFAOYSA-N 1 0 219.310 -0.327 20 30 BBEDRO C#CCOCCNC(=[NH2+])N1CCOCC1 ZINC000849017725 588437773 /nfs/dbraw/zinc/43/77/73/588437773.db2.gz DVYLNICVOVIYGW-UHFFFAOYSA-N 1 0 211.265 -0.507 20 30 BBEDRO C#CCOCCNC(=[NH2+])N[C@H](C)COC ZINC000849018025 588437848 /nfs/dbraw/zinc/43/78/48/588437848.db2.gz RYMCQCNTRBDBOF-SECBINFHSA-N 1 0 213.281 -0.215 20 30 BBEDRO C#CCOCCNC(=[NH2+])N[C@@H](C)COC ZINC000849018026 588437652 /nfs/dbraw/zinc/43/76/52/588437652.db2.gz RYMCQCNTRBDBOF-VIFPVBQESA-N 1 0 213.281 -0.215 20 30 BBEDRO C#CCOCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849018039 588437766 /nfs/dbraw/zinc/43/77/66/588437766.db2.gz SMKSAMZQNHLHID-JTQLQIEISA-N 1 0 225.292 -0.119 20 30 BBEDRO C#CCOCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849018040 588437709 /nfs/dbraw/zinc/43/77/09/588437709.db2.gz SMKSAMZQNHLHID-SNVBAGLBSA-N 1 0 225.292 -0.119 20 30 BBEDRO C#CCOCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849018168 588437674 /nfs/dbraw/zinc/43/76/74/588437674.db2.gz WGUNXDQZUUWDDR-JTQLQIEISA-N 1 0 225.292 -0.071 20 30 BBEDRO C#CCOCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849018170 588437870 /nfs/dbraw/zinc/43/78/70/588437870.db2.gz WGUNXDQZUUWDDR-SNVBAGLBSA-N 1 0 225.292 -0.071 20 30 BBEDRO C=CCNC(=[NH2+])NCc1nnnn1CC1CC1 ZINC000849019703 582828314 /nfs/dbraw/zinc/82/83/14/582828314.db2.gz AYRYAGRWSVWNRV-UHFFFAOYSA-N 1 0 235.295 -0.117 20 30 BBEDRO CNC(NCCCCCS(C)(=O)=O)=[NH+]C ZINC000849020085 588438616 /nfs/dbraw/zinc/43/86/16/588438616.db2.gz GPXQPMAFVFRBJT-UHFFFAOYSA-N 1 0 235.353 -0.004 20 30 BBEDRO CCNC(NCCC1CS(=O)(=O)C1)=[NH+]CC ZINC000849020990 588438792 /nfs/dbraw/zinc/43/87/92/588438792.db2.gz DAYJMDPBIKEADR-UHFFFAOYSA-N 1 0 247.364 -0.004 20 30 BBEDRO CNC(NCCN1CCCOCC1)=[NH+]C ZINC000849021094 588438803 /nfs/dbraw/zinc/43/88/03/588438803.db2.gz NXXORQOSLJCJOI-UHFFFAOYSA-N 1 0 214.313 -0.497 20 30 BBEDRO CCOCCOC[C@H](O)CNC(NC)=[NH+]C ZINC000849022121 588439161 /nfs/dbraw/zinc/43/91/61/588439161.db2.gz BIOFAJXBLGOPNX-SECBINFHSA-N 1 0 233.312 -0.805 20 30 BBEDRO CCOCCOC[C@@H](O)CNC(NC)=[NH+]C ZINC000849022122 588439393 /nfs/dbraw/zinc/43/93/93/588439393.db2.gz BIOFAJXBLGOPNX-VIFPVBQESA-N 1 0 233.312 -0.805 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H](O)COCCOCC ZINC000849022174 588439324 /nfs/dbraw/zinc/43/93/24/588439324.db2.gz GLGOLFLEMSUDAH-JTQLQIEISA-N 1 0 245.323 -0.300 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H](O)COCCOCC ZINC000849022175 588439353 /nfs/dbraw/zinc/43/93/53/588439353.db2.gz GLGOLFLEMSUDAH-SNVBAGLBSA-N 1 0 245.323 -0.300 20 30 BBEDRO CNC(NCC1(N2CCOCC2)CC1)=[NH+]C ZINC000849022600 588439169 /nfs/dbraw/zinc/43/91/69/588439169.db2.gz MKDGAYZIDQUSSO-UHFFFAOYSA-N 1 0 226.324 -0.354 20 30 BBEDRO C[NH+]=C(NCCC#N)NCCN1CCOCC1 ZINC000849023268 588439614 /nfs/dbraw/zinc/43/96/14/588439614.db2.gz DHLKMSWPKBAEBQ-UHFFFAOYSA-N 1 0 239.323 -0.603 20 30 BBEDRO CN(C)C(=[NH+]Cc1nnn(C)n1)N(C)C ZINC000849023295 588439518 /nfs/dbraw/zinc/43/95/18/588439518.db2.gz GZSFKAHMLGICHX-UHFFFAOYSA-N 1 0 211.273 -0.811 20 30 BBEDRO N#CCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000849023298 588439603 /nfs/dbraw/zinc/43/96/03/588439603.db2.gz HKBRRMIQXGDRRQ-UHFFFAOYSA-N 1 0 239.323 -0.264 20 30 BBEDRO C[NH+]=C(NC[C@]1(O)CCO[C@H]1C)NC1CC1 ZINC000849023986 588439988 /nfs/dbraw/zinc/43/99/88/588439988.db2.gz NHTMLCFYNKFQRV-GZMMTYOYSA-N 1 0 227.308 -0.146 20 30 BBEDRO C[NH+]=C(NC[C@]1(O)CCO[C@@H]1C)NC1CC1 ZINC000849023988 588439998 /nfs/dbraw/zinc/43/99/98/588439998.db2.gz NHTMLCFYNKFQRV-LDYMZIIASA-N 1 0 227.308 -0.146 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H](CO)[C@@H]1CCOC1 ZINC000849024883 588440272 /nfs/dbraw/zinc/44/02/72/588440272.db2.gz DGADNHLAXIMWIC-NXEZZACHSA-N 1 0 227.308 -0.069 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H](CO)[C@H]1CCOC1 ZINC000849024884 588440261 /nfs/dbraw/zinc/44/02/61/588440261.db2.gz DGADNHLAXIMWIC-UWVGGRQHSA-N 1 0 227.308 -0.069 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H](CO)[C@H]1CCOC1 ZINC000849024885 588440357 /nfs/dbraw/zinc/44/03/57/588440357.db2.gz DGADNHLAXIMWIC-VHSXEESVSA-N 1 0 227.308 -0.069 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H](CO)[C@@H]1CCOC1 ZINC000849024886 588440321 /nfs/dbraw/zinc/44/03/21/588440321.db2.gz DGADNHLAXIMWIC-ZJUUUORDSA-N 1 0 227.308 -0.069 20 30 BBEDRO CNC(NC[C@H](CO)[C@H]1CCOC1)=[NH+]C ZINC000849025014 588440284 /nfs/dbraw/zinc/44/02/84/588440284.db2.gz JQKFQZCBRNMNJR-DTWKUNHWSA-N 1 0 215.297 -0.574 20 30 BBEDRO CNC(NC[C@H](CO)[C@@H]1CCOC1)=[NH+]C ZINC000849025015 588440426 /nfs/dbraw/zinc/44/04/26/588440426.db2.gz JQKFQZCBRNMNJR-RKDXNWHRSA-N 1 0 215.297 -0.574 20 30 BBEDRO C[NH+]=C(NC[C@H](CO)[C@@H]1CCOC1)NC1CC1 ZINC000849025113 582830226 /nfs/dbraw/zinc/83/02/26/582830226.db2.gz OGZQROFVOKPROE-NXEZZACHSA-N 1 0 241.335 -0.041 20 30 BBEDRO C[NH+]=C(NC[C@H](CO)[C@H]1CCOC1)NC1CC1 ZINC000849025114 582830161 /nfs/dbraw/zinc/83/01/61/582830161.db2.gz OGZQROFVOKPROE-VHSXEESVSA-N 1 0 241.335 -0.041 20 30 BBEDRO C[NH+]=C(NCCF)NCCN1CCOCC1 ZINC000849025491 588440314 /nfs/dbraw/zinc/44/03/14/588440314.db2.gz IDFMWHYHYGTUME-UHFFFAOYSA-N 1 0 232.303 -0.547 20 30 BBEDRO CN(C)C(=[NH+]CC(=O)NCC(F)F)N(C)C ZINC000849025717 588440478 /nfs/dbraw/zinc/44/04/78/588440478.db2.gz FAFVSSZTIGDTKR-UHFFFAOYSA-N 1 0 236.266 -0.153 20 30 BBEDRO CNC(NCCC1(O)CCOCC1)=[NH+]C ZINC000849026143 588440694 /nfs/dbraw/zinc/44/06/94/588440694.db2.gz ZKYQXRHTHFJXLM-UHFFFAOYSA-N 1 0 215.297 -0.287 20 30 BBEDRO N#Cc1ncn(CCNC(=[NH2+])NC2CCC2)n1 ZINC000849027114 588440910 /nfs/dbraw/zinc/44/09/10/588440910.db2.gz BSIGDMWKCWPGGH-UHFFFAOYSA-N 1 0 233.279 -0.184 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCn2cnc(C#N)n2)N1 ZINC000849027209 588441004 /nfs/dbraw/zinc/44/10/04/588441004.db2.gz HONKOSWVVOETTD-SSDOTTSWSA-N 1 0 219.252 -0.913 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCn2cnc(C#N)n2)N1 ZINC000849027210 588441173 /nfs/dbraw/zinc/44/11/73/588441173.db2.gz HONKOSWVVOETTD-ZETCQYMHSA-N 1 0 219.252 -0.913 20 30 BBEDRO CCCNC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000849027306 588441009 /nfs/dbraw/zinc/44/10/09/588441009.db2.gz PNXNNWKRUIKDLQ-UHFFFAOYSA-N 1 0 221.268 -0.326 20 30 BBEDRO CN1CCC[NH+]=C1NCCn1cnc(C#N)n1 ZINC000849027436 588441001 /nfs/dbraw/zinc/44/10/01/588441001.db2.gz ZFKVMUKLQSGFNV-UHFFFAOYSA-N 1 0 233.279 -0.569 20 30 BBEDRO CCOCCCNC(=[NH2+])NCC(=O)NCC#N ZINC000849027585 588441379 /nfs/dbraw/zinc/44/13/79/588441379.db2.gz JYIZRDYSOFPXSQ-UHFFFAOYSA-N 1 0 241.295 -0.833 20 30 BBEDRO CC(C)CNC(=[NH2+])NCC(=O)NCC#N ZINC000849027637 588441621 /nfs/dbraw/zinc/44/16/21/588441621.db2.gz MXEWPYNBKXDLDO-UHFFFAOYSA-N 1 0 211.269 -0.604 20 30 BBEDRO CCN(CC)C(=[NH2+])NCC(=O)NCC#N ZINC000849027639 588441313 /nfs/dbraw/zinc/44/13/13/588441313.db2.gz NLQRCIAXTLUPDQ-UHFFFAOYSA-N 1 0 211.269 -0.508 20 30 BBEDRO CN(C)C(=[NH+]CC(=O)NCC#N)N(C)C ZINC000849027679 582831329 /nfs/dbraw/zinc/83/13/29/582831329.db2.gz DIGHUDOBJJRIGI-UHFFFAOYSA-N 1 0 211.269 -0.895 20 30 BBEDRO CCCCNC(=[NH2+])NCC(=O)NCC#N ZINC000849027687 588441570 /nfs/dbraw/zinc/44/15/70/588441570.db2.gz FHQVRINCIKQOSR-UHFFFAOYSA-N 1 0 211.269 -0.460 20 30 BBEDRO N#CCNC(=O)CNC(=[NH2+])N1CCSCC1 ZINC000849027694 588441297 /nfs/dbraw/zinc/44/12/97/588441297.db2.gz GCUSADXTRCBXFV-UHFFFAOYSA-N 1 0 241.320 -0.801 20 30 BBEDRO CCNC(NCC(=O)NCC#N)=[NH+]CC ZINC000849027706 588441512 /nfs/dbraw/zinc/44/15/12/588441512.db2.gz HDDAMMKRGMNASW-UHFFFAOYSA-N 1 0 211.269 -0.799 20 30 BBEDRO CC(C)(C)NC(=[NH2+])NCC(=O)NCC#N ZINC000849027829 588441554 /nfs/dbraw/zinc/44/15/54/588441554.db2.gz VPODOSYQQFCEDY-UHFFFAOYSA-N 1 0 211.269 -0.461 20 30 BBEDRO CC[C@@H](C)NC(=[NH2+])NCC(=O)NCC#N ZINC000849027850 631999748 /nfs/dbraw/zinc/99/97/48/631999748.db2.gz LGILOTKLFMMVNP-SSDOTTSWSA-N 1 0 211.269 -0.461 20 30 BBEDRO CC[C@H](C)NC(=[NH2+])NCC(=O)NCC#N ZINC000849027851 632000282 /nfs/dbraw/zinc/00/02/82/632000282.db2.gz LGILOTKLFMMVNP-ZETCQYMHSA-N 1 0 211.269 -0.461 20 30 BBEDRO N#CCNC(=O)CNC(=[NH2+])N1CCCCC1 ZINC000849027855 588441377 /nfs/dbraw/zinc/44/13/77/588441377.db2.gz LRHHSEBMUOBTDJ-UHFFFAOYSA-N 1 0 223.280 -0.364 20 30 BBEDRO CC(C)CCNC(=[NH2+])NCC(=O)NCC#N ZINC000849027946 588441578 /nfs/dbraw/zinc/44/15/78/588441578.db2.gz RQPBSOHBQUKGJF-UHFFFAOYSA-N 1 0 225.296 -0.214 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(=O)NCC#N ZINC000849027990 588441314 /nfs/dbraw/zinc/44/13/14/588441314.db2.gz UMENLNMFJYDMHH-UHFFFAOYSA-N 1 0 209.253 -0.684 20 30 BBEDRO N#CCNC(=O)CNC(=[NH2+])NC1CCC1 ZINC000849028038 588441303 /nfs/dbraw/zinc/44/13/03/588441303.db2.gz YPFAWAWDAQUWSV-UHFFFAOYSA-N 1 0 209.253 -0.707 20 30 BBEDRO CNC(NC[C@@H](CO)c1cccnc1)=[NH+]C ZINC000849028780 588442066 /nfs/dbraw/zinc/44/20/66/588442066.db2.gz GHAIXSYIAQQEKP-JTQLQIEISA-N 1 0 222.292 -0.048 20 30 BBEDRO CNC(NC[C@H](CO)c1cccnc1)=[NH+]C ZINC000849028782 588441870 /nfs/dbraw/zinc/44/18/70/588441870.db2.gz GHAIXSYIAQQEKP-SNVBAGLBSA-N 1 0 222.292 -0.048 20 30 BBEDRO Cn1ncc(CCCNC2=[NH+]CCN2C)n1 ZINC000849030116 588442184 /nfs/dbraw/zinc/44/21/84/588442184.db2.gz AENXDQKGPBIDHN-UHFFFAOYSA-N 1 0 222.296 -0.361 20 30 BBEDRO CNC(NCCCc1cnn(C)n1)=[NH+]C ZINC000849030223 588442261 /nfs/dbraw/zinc/44/22/61/588442261.db2.gz DWNQLVGEMZGJCQ-UHFFFAOYSA-N 1 0 210.285 -0.458 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCCc2cnn(C)n2)N1 ZINC000849030770 588442758 /nfs/dbraw/zinc/44/27/58/588442758.db2.gz NZQDTAQCXIFHRV-MRVPVSSYSA-N 1 0 222.296 -0.315 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCCc2cnn(C)n2)N1 ZINC000849030771 588442562 /nfs/dbraw/zinc/44/25/62/588442562.db2.gz NZQDTAQCXIFHRV-QMMMGPOBSA-N 1 0 222.296 -0.315 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCCCCS(N)(=O)=O ZINC000849031240 588442825 /nfs/dbraw/zinc/44/28/25/588442825.db2.gz CIMKZUUQLANPBL-UHFFFAOYSA-N 1 0 248.352 -0.255 20 30 BBEDRO C[NH+]=C(NCCCCS(N)(=O)=O)NC1CC1 ZINC000849031542 582834052 /nfs/dbraw/zinc/83/40/52/582834052.db2.gz RWQLKTIANPJPEM-UHFFFAOYSA-N 1 0 248.352 -0.618 20 30 BBEDRO COC[C@](C)(O)CCNC1=[NH+]C[C@@H](C)N1 ZINC000849033848 588443725 /nfs/dbraw/zinc/44/37/25/588443725.db2.gz BZRPXOFXXYEULF-PSASIEDQSA-N 1 0 215.297 -0.289 20 30 BBEDRO COC[C@](C)(O)CCNC1=[NH+]C[C@H](C)N1 ZINC000849033849 588443887 /nfs/dbraw/zinc/44/38/87/588443887.db2.gz BZRPXOFXXYEULF-WCBMZHEXSA-N 1 0 215.297 -0.289 20 30 BBEDRO CNC(NCC[C@@](C)(O)COC)=[NH+]C ZINC000849034425 588444330 /nfs/dbraw/zinc/44/43/30/588444330.db2.gz VMCKXUAMICKVLP-SECBINFHSA-N 1 0 203.286 -0.431 20 30 BBEDRO CNC(NCC[C@](C)(O)COC)=[NH+]C ZINC000849034426 588444399 /nfs/dbraw/zinc/44/43/99/588444399.db2.gz VMCKXUAMICKVLP-VIFPVBQESA-N 1 0 203.286 -0.431 20 30 BBEDRO COC[C@@](C)(O)CCNC1=[NH+]CCN1C ZINC000849034573 582835909 /nfs/dbraw/zinc/83/59/09/582835909.db2.gz YXMLJFFVUIVQAR-JTQLQIEISA-N 1 0 215.297 -0.335 20 30 BBEDRO COC[C@](C)(O)CCNC1=[NH+]CCN1C ZINC000849034574 582835894 /nfs/dbraw/zinc/83/58/94/582835894.db2.gz YXMLJFFVUIVQAR-SNVBAGLBSA-N 1 0 215.297 -0.335 20 30 BBEDRO CNC(NCc1nnc(C2CC2)[nH]1)=[NH+]C ZINC000849034694 588444462 /nfs/dbraw/zinc/44/44/62/588444462.db2.gz DQFQLVIWMAXXPH-UHFFFAOYSA-N 1 0 208.269 -0.023 20 30 BBEDRO CCOC(=O)COCCNC(NC)=[NH+]C ZINC000849035907 588445182 /nfs/dbraw/zinc/44/51/82/588445182.db2.gz IMMKBHINWZLLNR-UHFFFAOYSA-N 1 0 217.269 -0.639 20 30 BBEDRO CCOC(=O)COCCNC1=[NH+]C[C@@H](C)N1 ZINC000849036063 588445080 /nfs/dbraw/zinc/44/50/80/588445080.db2.gz LGPSANSMHRDCDJ-MRVPVSSYSA-N 1 0 229.280 -0.497 20 30 BBEDRO CCOC(=O)COCCNC1=[NH+]C[C@H](C)N1 ZINC000849036069 588445171 /nfs/dbraw/zinc/44/51/71/588445171.db2.gz LGPSANSMHRDCDJ-QMMMGPOBSA-N 1 0 229.280 -0.497 20 30 BBEDRO CC[C@H](CNS(C)(=O)=O)NC(NC)=[NH+]C ZINC000849036371 588445107 /nfs/dbraw/zinc/44/51/07/588445107.db2.gz OTRDIRZIVLHRFC-SSDOTTSWSA-N 1 0 236.341 -0.891 20 30 BBEDRO CC[C@@H](CNS(C)(=O)=O)NC(NC)=[NH+]C ZINC000849036372 588445254 /nfs/dbraw/zinc/44/52/54/588445254.db2.gz OTRDIRZIVLHRFC-ZETCQYMHSA-N 1 0 236.341 -0.891 20 30 BBEDRO C=CCNC(=[NH2+])N[C@H](CC)CNS(C)(=O)=O ZINC000849036421 588445376 /nfs/dbraw/zinc/44/53/76/588445376.db2.gz RFMZXGIBOWNBHJ-MRVPVSSYSA-N 1 0 248.352 -0.386 20 30 BBEDRO C=CCNC(=[NH2+])N[C@@H](CC)CNS(C)(=O)=O ZINC000849036422 582837495 /nfs/dbraw/zinc/83/74/95/582837495.db2.gz RFMZXGIBOWNBHJ-QMMMGPOBSA-N 1 0 248.352 -0.386 20 30 BBEDRO CCOC(=O)COCCNC(NC1CC1)=[NH+]C ZINC000849036558 588445425 /nfs/dbraw/zinc/44/54/25/588445425.db2.gz UEOQOVMAJAKLQV-UHFFFAOYSA-N 1 0 243.307 -0.107 20 30 BBEDRO CNC(NC[C@@H]1CCOC[C@H]1OC)=[NH+]C ZINC000849036782 588445415 /nfs/dbraw/zinc/44/54/15/588445415.db2.gz XTLJCJBLOGIGBD-DTWKUNHWSA-N 1 0 215.297 -0.167 20 30 BBEDRO CNC(NC[C@@H]1CCOC[C@@H]1OC)=[NH+]C ZINC000849036783 588445372 /nfs/dbraw/zinc/44/53/72/588445372.db2.gz XTLJCJBLOGIGBD-IUCAKERBSA-N 1 0 215.297 -0.167 20 30 BBEDRO C=CCNC(=[NH2+])NCCOCC(=O)OCC ZINC000849036784 588445547 /nfs/dbraw/zinc/44/55/47/588445547.db2.gz XVEUZEOCAXQCRM-UHFFFAOYSA-N 1 0 229.280 -0.134 20 30 BBEDRO CNC(NCCN1C[C@H]2CC[C@@H](C1)O2)=[NH+]C ZINC000849037611 588446104 /nfs/dbraw/zinc/44/61/04/588446104.db2.gz RYNCHJXHOSFDES-AOOOYVTPSA-N 1 0 226.324 -0.356 20 30 BBEDRO C[NH+]=C(NCCN1CCC(O)CC1)NC1CC1 ZINC000849037849 588445793 /nfs/dbraw/zinc/44/57/93/588445793.db2.gz FITRZCSZCCUZQO-UHFFFAOYSA-N 1 0 240.351 -0.230 20 30 BBEDRO CN(C)C(=[NH+]CCN1CCC(O)CC1)N(C)C ZINC000849038551 588446533 /nfs/dbraw/zinc/44/65/33/588446533.db2.gz RHKGEXDWTLFQLT-UHFFFAOYSA-N 1 0 242.367 -0.078 20 30 BBEDRO C=CCNC(=[NH2+])NCCN1CCC(O)CC1 ZINC000849038916 588446895 /nfs/dbraw/zinc/44/68/95/588446895.db2.gz YGMQRPCHMKVXAL-UHFFFAOYSA-N 1 0 226.324 -0.257 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@]1(C)CCC(=O)N1 ZINC000849038949 588446840 /nfs/dbraw/zinc/44/68/40/588446840.db2.gz AEAPLWKSPFVDOH-JTQLQIEISA-N 1 0 210.281 -0.045 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@]1(C)CCC(=O)N1 ZINC000849038950 588446650 /nfs/dbraw/zinc/44/66/50/588446650.db2.gz AEAPLWKSPFVDOH-SNVBAGLBSA-N 1 0 210.281 -0.045 20 30 BBEDRO C[NH+]=C(NC[C@@]1(C)CCC(=O)N1)NC1CC1 ZINC000849039273 588446678 /nfs/dbraw/zinc/44/66/78/588446678.db2.gz QGCLBJFSOZUOBG-LLVKDONJSA-N 1 0 224.308 -0.018 20 30 BBEDRO C[NH+]=C(NC[C@]1(C)CCC(=O)N1)NC1CC1 ZINC000849039274 588446890 /nfs/dbraw/zinc/44/68/90/588446890.db2.gz QGCLBJFSOZUOBG-NSHDSACASA-N 1 0 224.308 -0.018 20 30 BBEDRO CN(C)C(=[NH+]C[C@H]1CCCNC1=O)N(C)C ZINC000849040703 588447444 /nfs/dbraw/zinc/44/74/44/588447444.db2.gz CLGGEMWDPVDNIX-SECBINFHSA-N 1 0 226.324 -0.008 20 30 BBEDRO CN(C)C(=[NH+]C[C@@H]1CCCNC1=O)N(C)C ZINC000849040704 588447496 /nfs/dbraw/zinc/44/74/96/588447496.db2.gz CLGGEMWDPVDNIX-VIFPVBQESA-N 1 0 226.324 -0.008 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@@H](O)Cn1ccnn1 ZINC000849040787 632033129 /nfs/dbraw/zinc/03/31/29/632033129.db2.gz DGRDOOHMULJWCC-SECBINFHSA-N 1 0 238.295 -0.671 20 30 BBEDRO C=C(C)CNC(=[NH2+])NC[C@H](O)Cn1ccnn1 ZINC000849040796 632032469 /nfs/dbraw/zinc/03/24/69/632032469.db2.gz DGRDOOHMULJWCC-VIFPVBQESA-N 1 0 238.295 -0.671 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@H]1CCCNC1=O ZINC000849041250 588448102 /nfs/dbraw/zinc/44/81/02/588448102.db2.gz OORAGEPGDGFBIB-MRVPVSSYSA-N 1 0 210.281 -0.187 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@H]1CCCNC1=O ZINC000849041251 588447921 /nfs/dbraw/zinc/44/79/21/588447921.db2.gz OORAGEPGDGFBIB-QMMMGPOBSA-N 1 0 210.281 -0.187 20 30 BBEDRO CCNC(NC[C@@H](O)Cn1ccnn1)=[NH+]CC ZINC000849041672 588448378 /nfs/dbraw/zinc/44/83/78/588448378.db2.gz VHOHSBHRUWMMRW-SECBINFHSA-N 1 0 240.311 -0.786 20 30 BBEDRO CCNC(NC[C@H](O)Cn1ccnn1)=[NH+]CC ZINC000849041675 588448402 /nfs/dbraw/zinc/44/84/02/588448402.db2.gz VHOHSBHRUWMMRW-VIFPVBQESA-N 1 0 240.311 -0.786 20 30 BBEDRO C[NH+]=C(NC[C@H]1CCCNC1=O)NC1CC1 ZINC000849041799 588448491 /nfs/dbraw/zinc/44/84/91/588448491.db2.gz WQCBXGVVQNIDBB-MRVPVSSYSA-N 1 0 224.308 -0.160 20 30 BBEDRO C[NH+]=C(NC[C@@H]1CCCNC1=O)NC1CC1 ZINC000849041801 588448349 /nfs/dbraw/zinc/44/83/49/588448349.db2.gz WQCBXGVVQNIDBB-QMMMGPOBSA-N 1 0 224.308 -0.160 20 30 BBEDRO CN(C)C(=[NH+]C[C@@H](O)Cn1ccnn1)N(C)C ZINC000849041815 582839260 /nfs/dbraw/zinc/83/92/60/582839260.db2.gz WVHDGGXSSGQXGS-SECBINFHSA-N 1 0 240.311 -0.882 20 30 BBEDRO CN(C)C(=[NH+]C[C@H](O)Cn1ccnn1)N(C)C ZINC000849041819 582839273 /nfs/dbraw/zinc/83/92/73/582839273.db2.gz WVHDGGXSSGQXGS-VIFPVBQESA-N 1 0 240.311 -0.882 20 30 BBEDRO CNC(NCCC(C)(C)S(C)(=O)=O)=[NH+]C ZINC000849042272 588448425 /nfs/dbraw/zinc/44/84/25/588448425.db2.gz GRVZMCUCHBZLNJ-UHFFFAOYSA-N 1 0 235.353 -0.006 20 30 BBEDRO CCS(=O)(=O)CCCNC1=[NH+]CCN1C ZINC000849042835 588448696 /nfs/dbraw/zinc/44/86/96/588448696.db2.gz FDKYUKXSABYPMB-UHFFFAOYSA-N 1 0 233.337 -0.298 20 30 BBEDRO CNC(NCC1(CS(C)(=O)=O)CCC1)=[NH+]C ZINC000849042871 588448724 /nfs/dbraw/zinc/44/87/24/588448724.db2.gz GXSFGIJOQZVSFB-UHFFFAOYSA-N 1 0 247.364 -0.004 20 30 BBEDRO C=CCNC(=[NH2+])NCCS(=O)(=O)C1CC1 ZINC000849042942 588448733 /nfs/dbraw/zinc/44/87/33/588448733.db2.gz JXXCYSZKAIXWEK-UHFFFAOYSA-N 1 0 231.321 -0.136 20 30 BBEDRO CCS(=O)(=O)CCCNC(NC)=[NH+]C ZINC000849043093 588448720 /nfs/dbraw/zinc/44/87/20/588448720.db2.gz MMCFUTRULXVTRS-UHFFFAOYSA-N 1 0 221.326 -0.394 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCS(=O)(=O)C2CC2)N1 ZINC000849043125 588448899 /nfs/dbraw/zinc/44/88/99/588448899.db2.gz OAROIAHXLVLZKN-SSDOTTSWSA-N 1 0 231.321 -0.499 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCS(=O)(=O)C2CC2)N1 ZINC000849043126 588448704 /nfs/dbraw/zinc/44/87/04/588448704.db2.gz OAROIAHXLVLZKN-ZETCQYMHSA-N 1 0 231.321 -0.499 20 30 BBEDRO CNC(NCCS(=O)(=O)C1CC1)=[NH+]C ZINC000849043134 588448736 /nfs/dbraw/zinc/44/87/36/588448736.db2.gz OKGPFUJJAXLJBX-UHFFFAOYSA-N 1 0 219.310 -0.642 20 30 BBEDRO CCS(=O)(=O)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000849043353 588448673 /nfs/dbraw/zinc/44/86/73/588448673.db2.gz UOXPNKBUAGUCFQ-MRVPVSSYSA-N 1 0 233.337 -0.252 20 30 BBEDRO CCS(=O)(=O)CCCNC1=[NH+]C[C@H](C)N1 ZINC000849043354 588448866 /nfs/dbraw/zinc/44/88/66/588448866.db2.gz UOXPNKBUAGUCFQ-QMMMGPOBSA-N 1 0 233.337 -0.252 20 30 BBEDRO C[NH+]=C(NCCS(=O)(=O)C1CC1)NC1CC1 ZINC000849043637 588449004 /nfs/dbraw/zinc/44/90/04/588449004.db2.gz ZGWLGDABBGCUHK-UHFFFAOYSA-N 1 0 245.348 -0.109 20 30 BBEDRO C=C(C)CNC(=[NH2+])NCC(=O)N(C)OC ZINC000849043980 582839716 /nfs/dbraw/zinc/83/97/16/582839716.db2.gz NWVSFNCRSNCPDO-UHFFFAOYSA-N 1 0 214.269 -0.304 20 30 BBEDRO CON(C)C(=O)C[NH+]=C(N(C)C)N(C)C ZINC000849044015 582839890 /nfs/dbraw/zinc/83/98/90/582839890.db2.gz PUHWSZZZJASDLZ-UHFFFAOYSA-N 1 0 216.285 -0.515 20 30 BBEDRO C[NH+]=C(NCC(=O)N(C)OC)NC1CC1 ZINC000849044025 588449018 /nfs/dbraw/zinc/44/90/18/588449018.db2.gz QIMUIIUMFFTJAG-UHFFFAOYSA-N 1 0 214.269 -0.666 20 30 BBEDRO C[NH+]=C(NCC1(CC(N)=O)CC1)NC1CC1 ZINC000849044046 588449187 /nfs/dbraw/zinc/44/91/87/588449187.db2.gz RAROIHRUPNESSP-UHFFFAOYSA-N 1 0 224.308 -0.031 20 30 BBEDRO C=CCNC(=[NH2+])NCC1(CC(N)=O)CC1 ZINC000849044083 588449099 /nfs/dbraw/zinc/44/90/99/588449099.db2.gz SVDKGVSXABIYGD-UHFFFAOYSA-N 1 0 210.281 -0.058 20 30 BBEDRO C=CCNC(=[NH2+])NCC(=O)N(C)OC ZINC000849044115 588449123 /nfs/dbraw/zinc/44/91/23/588449123.db2.gz UWTDUORWAGLVQL-UHFFFAOYSA-N 1 0 200.242 -0.694 20 30 BBEDRO C=CCn1cc(CNC(=[NH2+])NCCOC)nn1 ZINC000849044572 588449182 /nfs/dbraw/zinc/44/91/82/588449182.db2.gz XQNGTNJRPFTGLO-UHFFFAOYSA-N 1 0 238.295 -0.276 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCCCc2ncn(C)n2)N1 ZINC000849045446 588449373 /nfs/dbraw/zinc/44/93/73/588449373.db2.gz JMBWTMWKLRRIAT-MRVPVSSYSA-N 1 0 222.296 -0.315 20 30 BBEDRO C[C@H]1C[NH+]=C(NCCCc2ncn(C)n2)N1 ZINC000849045447 588449377 /nfs/dbraw/zinc/44/93/77/588449377.db2.gz JMBWTMWKLRRIAT-QMMMGPOBSA-N 1 0 222.296 -0.315 20 30 BBEDRO CNC(NCCCc1ncn(C)n1)=[NH+]C ZINC000849045731 588449922 /nfs/dbraw/zinc/44/99/22/588449922.db2.gz OZLFHUCRAQLGKD-UHFFFAOYSA-N 1 0 210.285 -0.458 20 30 BBEDRO CC[C@H](CNC(NC)=[NH+]C)C(=O)OC ZINC000849046292 588449984 /nfs/dbraw/zinc/44/99/84/588449984.db2.gz PEVFYXTWZXSVBR-SSDOTTSWSA-N 1 0 201.270 -0.020 20 30 BBEDRO CC[C@@H](CNC(NC)=[NH+]C)C(=O)OC ZINC000849046293 588449982 /nfs/dbraw/zinc/44/99/82/588449982.db2.gz PEVFYXTWZXSVBR-ZETCQYMHSA-N 1 0 201.270 -0.020 20 30 BBEDRO C=CCNC(=[NH2+])NCCN1CCCC1=O ZINC000849046669 588450285 /nfs/dbraw/zinc/45/02/85/588450285.db2.gz BQOYMFJGBACWJJ-UHFFFAOYSA-N 1 0 210.281 -0.091 20 30 BBEDRO C[NH+]=C(NCC[C@@]1(O)CCOC1)NC1CC1 ZINC000849046777 588450397 /nfs/dbraw/zinc/45/03/97/588450397.db2.gz CYCXCLJABIWLKD-LLVKDONJSA-N 1 0 227.308 -0.145 20 30 BBEDRO C[NH+]=C(NCC[C@]1(O)CCOC1)NC1CC1 ZINC000849046779 588450232 /nfs/dbraw/zinc/45/02/32/588450232.db2.gz CYCXCLJABIWLKD-NSHDSACASA-N 1 0 227.308 -0.145 20 30 BBEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@H](C(N)=O)C1 ZINC000849047383 588450560 /nfs/dbraw/zinc/45/05/60/588450560.db2.gz LKYJFYQKZBZRSK-OCAPTIKFSA-N 1 0 210.281 -0.060 20 30 BBEDRO CCNC(N[C@H]1C[C@@H](C(N)=O)C1)=[NH+]CC ZINC000849047393 588450754 /nfs/dbraw/zinc/45/07/54/588450754.db2.gz LPRARAUPQYCIKM-OCAPTIKFSA-N 1 0 212.297 -0.175 20 30 BBEDRO CN(C)C(=[NH+][C@H]1C[C@@H](C(N)=O)C1)N(C)C ZINC000849047587 588450793 /nfs/dbraw/zinc/45/07/93/588450793.db2.gz ORVUWBSVNAHJEV-OCAPTIKFSA-N 1 0 212.297 -0.271 20 30 BBEDRO C[NH+]=C(NCCN1CCCC1=O)NC1CC1 ZINC000849047612 588450538 /nfs/dbraw/zinc/45/05/38/588450538.db2.gz PJXWRZUABPWPDS-UHFFFAOYSA-N 1 0 224.308 -0.064 20 30 BBEDRO C[NH+]=C(NC1CC1)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000849047692 588450833 /nfs/dbraw/zinc/45/08/33/588450833.db2.gz SAUTYJVLIIHJLK-WRXNHJIOSA-N 1 0 210.281 -0.422 20 30 BBEDRO CCN1C[C@@H](CNC(NC)=[NH+]C)CC1=O ZINC000849047893 588450531 /nfs/dbraw/zinc/45/05/31/588450531.db2.gz YSPQMOPJANXIKM-MRVPVSSYSA-N 1 0 212.297 -0.350 20 30 BBEDRO CCN1C[C@H](CNC(NC)=[NH+]C)CC1=O ZINC000849047894 588450685 /nfs/dbraw/zinc/45/06/85/588450685.db2.gz YSPQMOPJANXIKM-QMMMGPOBSA-N 1 0 212.297 -0.350 20 30 BBEDRO C=CCNC(=[NH2+])NCC[C@]1(O)CCOC1 ZINC000849047922 582841661 /nfs/dbraw/zinc/84/16/61/582841661.db2.gz ZUWXNALHYCFCIM-JTQLQIEISA-N 1 0 213.281 -0.172 20 30 BBEDRO C=CCNC(=[NH2+])NCC[C@@]1(O)CCOC1 ZINC000849047923 582841395 /nfs/dbraw/zinc/84/13/95/582841395.db2.gz ZUWXNALHYCFCIM-SNVBAGLBSA-N 1 0 213.281 -0.172 20 30 BBEDRO CNC(NCC[C@@]1(O)CCCOC1)=[NH+]C ZINC000849047960 588450843 /nfs/dbraw/zinc/45/08/43/588450843.db2.gz AWOPFFRWUVMINV-JTQLQIEISA-N 1 0 215.297 -0.287 20 30 BBEDRO CNC(NCC[C@]1(O)CCCOC1)=[NH+]C ZINC000849047961 588450672 /nfs/dbraw/zinc/45/06/72/588450672.db2.gz AWOPFFRWUVMINV-SNVBAGLBSA-N 1 0 215.297 -0.287 20 30 BBEDRO C[NH+]=C(NC[C@@](C)(CO)OC)NC1CC1 ZINC000849048089 588451184 /nfs/dbraw/zinc/45/11/84/588451184.db2.gz DJGYNGPYZAOLSG-JTQLQIEISA-N 1 0 215.297 -0.289 20 30 BBEDRO C[NH+]=C(NC[C@](C)(CO)OC)NC1CC1 ZINC000849048090 588451089 /nfs/dbraw/zinc/45/10/89/588451089.db2.gz DJGYNGPYZAOLSG-SNVBAGLBSA-N 1 0 215.297 -0.289 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@](C)(CO)OC ZINC000849048158 588451159 /nfs/dbraw/zinc/45/11/59/588451159.db2.gz FDWVMLGZRDMWHJ-SECBINFHSA-N 1 0 201.270 -0.316 20 30 BBEDRO C=CCNC(=[NH2+])NC[C@@](C)(CO)OC ZINC000849048159 588451123 /nfs/dbraw/zinc/45/11/23/588451123.db2.gz FDWVMLGZRDMWHJ-VIFPVBQESA-N 1 0 201.270 -0.316 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC[C@@]2(O)CCCOC2)N1 ZINC000849048778 588451415 /nfs/dbraw/zinc/45/14/15/588451415.db2.gz KUPBGPXCILAJPN-KOLCDFICSA-N 1 0 227.308 -0.145 20 30 BBEDRO C[C@@H]1C[NH+]=C(NCC[C@]2(O)CCCOC2)N1 ZINC000849048779 588451574 /nfs/dbraw/zinc/45/15/74/588451574.db2.gz KUPBGPXCILAJPN-MWLCHTKSSA-N 1 0 227.308 -0.145 20 30 BBEDRO CNC(NCc1cc(=O)n2ccccc2n1)=[NH+]C ZINC000849049120 588451514 /nfs/dbraw/zinc/45/15/14/588451514.db2.gz NALJSTPZDDTWOI-UHFFFAOYSA-N 1 0 245.286 -0.011 20 30 BBEDRO CO[C@](C)(CO)C[NH+]=C(N(C)C)N(C)C ZINC000849049505 588451348 /nfs/dbraw/zinc/45/13/48/588451348.db2.gz RSYZYGXWMMWBBH-JTQLQIEISA-N 1 0 217.313 -0.137 20 30 BBEDRO CO[C@@](C)(CO)C[NH+]=C(N(C)C)N(C)C ZINC000849049515 588451610 /nfs/dbraw/zinc/45/16/10/588451610.db2.gz RSYZYGXWMMWBBH-SNVBAGLBSA-N 1 0 217.313 -0.137 20 30 BBEDRO CNC(NC[C@@H]1CN(C2CC2)C(=O)O1)=[NH+]C ZINC000849049651 588451442 /nfs/dbraw/zinc/45/14/42/588451442.db2.gz IYZYABFWATZNIS-MRVPVSSYSA-N 1 0 226.280 -0.236 20 30 BBEDRO CNC(NC[C@H]1CN(C2CC2)C(=O)O1)=[NH+]C ZINC000849049652 588451347 /nfs/dbraw/zinc/45/13/47/588451347.db2.gz IYZYABFWATZNIS-QMMMGPOBSA-N 1 0 226.280 -0.236 20 30 BBEDRO CN1CC[NH+]=C1NCC[C@]1(O)CCCOC1 ZINC000849050161 588451729 /nfs/dbraw/zinc/45/17/29/588451729.db2.gz YOIVLKJNRBBMKT-LLVKDONJSA-N 1 0 227.308 -0.191 20 30 BBEDRO CN1CC[NH+]=C1NCC[C@@]1(O)CCCOC1 ZINC000849050164 588451969 /nfs/dbraw/zinc/45/19/69/588451969.db2.gz YOIVLKJNRBBMKT-NSHDSACASA-N 1 0 227.308 -0.191 20 30 BBEDRO CNC(NCc1nnn(C(C)(C)C)n1)=[NH+]C ZINC000849050210 588451997 /nfs/dbraw/zinc/45/19/97/588451997.db2.gz VPAPWVYYBZWZMQ-UHFFFAOYSA-N 1 0 225.300 -0.277 20 30 BBEDRO C=CCNC(=[NH2+])NCc1ccc(C(N)=O)nc1 ZINC000849107707 588452603 /nfs/dbraw/zinc/45/26/03/588452603.db2.gz LXOWXAOGMBHBKD-UHFFFAOYSA-N 1 0 233.275 -0.020 20 30 BBEDRO C[NH+]=C(NCCCn1cncn1)NC1CC1 ZINC000849213773 588461502 /nfs/dbraw/zinc/46/15/02/588461502.db2.gz FGBJOCFIKBCMDH-UHFFFAOYSA-N 1 0 222.296 -0.004 20 30 BBEDRO CNC(NCc1nnnn1C1CC1)=[NH+]C ZINC000849214481 588461813 /nfs/dbraw/zinc/46/18/13/588461813.db2.gz DASOKXNCABQPBJ-UHFFFAOYSA-N 1 0 209.257 -0.697 20 30 BBEDRO CNC(NCCSCC(=O)OC)=[NH+]C ZINC000849214539 588462035 /nfs/dbraw/zinc/46/20/35/588462035.db2.gz NBIGYODRXCJZJM-UHFFFAOYSA-N 1 0 219.310 -0.313 20 30 BBEDRO CNC(NC[C@@H](O)c1cnn(C)c1)=[NH+]C ZINC000849214554 588461957 /nfs/dbraw/zinc/46/19/57/588461957.db2.gz PSWHDKSWSOABRK-MRVPVSSYSA-N 1 0 211.269 -0.752 20 30 BBEDRO CNC(NC[C@H](O)c1cnn(C)c1)=[NH+]C ZINC000849214555 588461843 /nfs/dbraw/zinc/46/18/43/588461843.db2.gz PSWHDKSWSOABRK-QMMMGPOBSA-N 1 0 211.269 -0.752 20 30 BBEDRO CNC(NC[C@@H](O)C1CCOCC1)=[NH+]C ZINC000849214563 588461839 /nfs/dbraw/zinc/46/18/39/588461839.db2.gz QTOBAGISJHYWFM-SECBINFHSA-N 1 0 215.297 -0.431 20 30 BBEDRO CNC(NC[C@H](O)C1CCOCC1)=[NH+]C ZINC000849214564 588461534 /nfs/dbraw/zinc/46/15/34/588461534.db2.gz QTOBAGISJHYWFM-VIFPVBQESA-N 1 0 215.297 -0.431 20 30 BBEDRO CNC(NCc1nnnn1-c1ccccc1)=[NH+]C ZINC000849214567 588461758 /nfs/dbraw/zinc/46/17/58/588461758.db2.gz RANIUJNGDDTNHG-UHFFFAOYSA-N 1 0 245.290 -0.043 20 30 BBEDRO CNC(NCCCN1C(=O)CCC1=O)=[NH+]C ZINC000849214589 588462029 /nfs/dbraw/zinc/46/20/29/588462029.db2.gz SWAXDYUFGBCXMJ-UHFFFAOYSA-N 1 0 226.280 -0.680 20 30 BBEDRO CNC(NCC1(C(N)=O)CCCC1)=[NH+]C ZINC000849214627 588461977 /nfs/dbraw/zinc/46/19/77/588461977.db2.gz YOONSKHXBFXQLO-UHFFFAOYSA-N 1 0 212.297 -0.173 20 30 BBEDRO CNC(NCc1ccc(C(N)=O)nc1)=[NH+]C ZINC000849214628 588461823 /nfs/dbraw/zinc/46/18/23/588461823.db2.gz YQJFTMLMLWBQSI-UHFFFAOYSA-N 1 0 221.264 -0.525 20 30 BBEDRO CCON(C)C(=O)CNC(NC)=[NH+]C ZINC000849214655 588461942 /nfs/dbraw/zinc/46/19/42/588461942.db2.gz ATSYLHOUCNOTEY-UHFFFAOYSA-N 1 0 202.258 -0.809 20 30 BBEDRO CCN(OC)C(=O)CNC(NC)=[NH+]C ZINC000849214757 582843418 /nfs/dbraw/zinc/84/34/18/582843418.db2.gz NASHVCYTLUZKTM-UHFFFAOYSA-N 1 0 202.258 -0.809 20 30 BBEDRO CCNC(NCC(=O)N(C)OCC)=[NH+]CC ZINC000849214766 588461769 /nfs/dbraw/zinc/46/17/69/588461769.db2.gz NMUXKCQNKBMTLG-UHFFFAOYSA-N 1 0 230.312 -0.029 20 30 BBEDRO CNC(NCC(C)(C)[C@@]1(O)CCOC1)=[NH+]C ZINC000849214781 588461908 /nfs/dbraw/zinc/46/19/08/588461908.db2.gz PORZQKDNEMWDFX-LLVKDONJSA-N 1 0 229.324 -0.041 20 30 BBEDRO CNC(NCC(C)(C)[C@]1(O)CCOC1)=[NH+]C ZINC000849214782 588461966 /nfs/dbraw/zinc/46/19/66/588461966.db2.gz PORZQKDNEMWDFX-NSHDSACASA-N 1 0 229.324 -0.041 20 30 BBEDRO CCNC(NCC(=O)N(CC)OC)=[NH+]CC ZINC000849214859 588461801 /nfs/dbraw/zinc/46/18/01/588461801.db2.gz XROKTWCBDBIXBI-UHFFFAOYSA-N 1 0 230.312 -0.029 20 30 BBEDRO CCNC(NCCN(CC)CCO)=[NH+]CC ZINC000849214861 588461883 /nfs/dbraw/zinc/46/18/83/588461883.db2.gz XWAQSVNOWIAAEC-UHFFFAOYSA-N 1 0 230.356 -0.124 20 30 BBEDRO CCN(CCO)CCNC(NC)=[NH+]C ZINC000849214871 588461765 /nfs/dbraw/zinc/46/17/65/588461765.db2.gz ZFDUZZCVIHXGGL-UHFFFAOYSA-N 1 0 202.302 -0.905 20 30 BBEDRO CCOC1CC(O)(CNC(NC)=[NH+]C)C1 ZINC000849214875 582843463 /nfs/dbraw/zinc/84/34/63/582843463.db2.gz ZKAPQHAZGUVYRZ-UHFFFAOYSA-N 1 0 215.297 -0.289 20 30 BBEDRO CNC(NCc1nc(C(N)=O)cs1)=[NH+]C ZINC000849214944 588462023 /nfs/dbraw/zinc/46/20/23/588462023.db2.gz DNQFKYOCSKPZFL-UHFFFAOYSA-N 1 0 227.293 -0.463 20 30 BBEDRO CNC(NC[C@H](OC)[C@@H]1CCOC1)=[NH+]C ZINC000849215032 588461799 /nfs/dbraw/zinc/46/17/99/588461799.db2.gz JSYDVCYNFWELLF-BDAKNGLRSA-N 1 0 215.297 -0.167 20 30 BBEDRO CNC(NC[C@H](OC)[C@H]1CCOC1)=[NH+]C ZINC000849215033 588461968 /nfs/dbraw/zinc/46/19/68/588461968.db2.gz JSYDVCYNFWELLF-IUCAKERBSA-N 1 0 215.297 -0.167 20 30 BBEDRO CNC(NCCN1C[C@H](C)OC[C@@H]1C)=[NH+]C ZINC000849215044 588462018 /nfs/dbraw/zinc/46/20/18/588462018.db2.gz KHFZLFNDDJMVSW-UWVGGRQHSA-N 1 0 228.340 -0.110 20 30 BBEDRO CNC(NCCN1C[C@H](C)OC[C@H]1C)=[NH+]C ZINC000849215045 588461828 /nfs/dbraw/zinc/46/18/28/588461828.db2.gz KHFZLFNDDJMVSW-ZJUUUORDSA-N 1 0 228.340 -0.110 20 30 BBEDRO N#Cc1ncn(CCNC2=[NH+]CCCCN2)n1 ZINC000849217064 588462781 /nfs/dbraw/zinc/46/27/81/588462781.db2.gz XQMVXIMXJAUCJJ-UHFFFAOYSA-N 1 0 233.279 -0.521 20 30 BBEDRO C=CCS(=O)(=O)CCNC1=[NH+]CCCCN1 ZINC000849217498 588462702 /nfs/dbraw/zinc/46/27/02/588462702.db2.gz JXVQDILMPQYACR-UHFFFAOYSA-N 1 0 245.348 -0.084 20 30 BBEDRO C#CCNC(=S)N(C)CC1C[NH+](C)C1 ZINC000849290048 588470208 /nfs/dbraw/zinc/47/02/08/588470208.db2.gz VHJJEPUCCMAVLN-UHFFFAOYSA-N 1 0 211.334 -0.013 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CC(CC#N)C1 ZINC000849326327 588472789 /nfs/dbraw/zinc/47/27/89/588472789.db2.gz GXXZFQGZGOEQRK-UHFFFAOYSA-N 1 0 205.261 -0.029 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@H](COC)OC ZINC000849327780 588472939 /nfs/dbraw/zinc/47/29/39/588472939.db2.gz SASPKZCWHTUDKJ-LLVKDONJSA-N 1 0 242.319 -0.233 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@@H](COC)OC ZINC000849327781 588473037 /nfs/dbraw/zinc/47/30/37/588473037.db2.gz SASPKZCWHTUDKJ-NSHDSACASA-N 1 0 242.319 -0.233 20 30 BBEDRO C#CCOCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000851658650 588613498 /nfs/dbraw/zinc/61/34/98/588613498.db2.gz HPUNZZWTXQLYFT-VIFPVBQESA-N 1 0 211.265 -0.703 20 30 BBEDRO C#C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000851659180 588613355 /nfs/dbraw/zinc/61/33/55/588613355.db2.gz MNAYAQYMAFDAQW-AXFHLTTASA-N 1 0 237.303 -0.172 20 30 BBEDRO C#C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000851659181 588613459 /nfs/dbraw/zinc/61/34/59/588613459.db2.gz MNAYAQYMAFDAQW-HBNTYKKESA-N 1 0 237.303 -0.172 20 30 BBEDRO C#CCOCCNC(=O)N[C@H](C)C[NH2+]C ZINC000851659248 588613491 /nfs/dbraw/zinc/61/34/91/588613491.db2.gz PYYLSPXNPQXBPM-SECBINFHSA-N 1 0 213.281 -0.457 20 30 BBEDRO C#CCOCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000851659249 588613472 /nfs/dbraw/zinc/61/34/72/588613472.db2.gz PYYLSPXNPQXBPM-VIFPVBQESA-N 1 0 213.281 -0.457 20 30 BBEDRO C#CCOCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851659329 588613378 /nfs/dbraw/zinc/61/33/78/588613378.db2.gz RQSLASPKDPCMII-UHFFFAOYSA-N 1 0 237.303 -0.313 20 30 BBEDRO N#CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851659386 588613327 /nfs/dbraw/zinc/61/33/27/588613327.db2.gz PIQNSVLIQGXHMD-UHFFFAOYSA-N 1 0 208.265 -0.049 20 30 BBEDRO C#CCOCCNC(=O)N(C)CCC[NH3+] ZINC000851659468 588613414 /nfs/dbraw/zinc/61/34/14/588613414.db2.gz UERUBQKZVGWGIY-UHFFFAOYSA-N 1 0 213.281 -0.374 20 30 BBEDRO N#CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851659542 588613334 /nfs/dbraw/zinc/61/33/34/588613334.db2.gz RPOMNTMESIPVNX-HTQZYQBOSA-N 1 0 214.244 -0.019 20 30 BBEDRO C#CCOCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851659552 588613487 /nfs/dbraw/zinc/61/34/87/588613487.db2.gz VTJLOYDEACOGAQ-NXEZZACHSA-N 1 0 243.282 -0.283 20 30 BBEDRO C#CCOCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000851659750 588613361 /nfs/dbraw/zinc/61/33/61/588613361.db2.gz XXXJLNKYKZIOPQ-UHFFFAOYSA-N 1 0 237.303 -0.231 20 30 BBEDRO C=CCOCCNC(=O)N[C@@H](C)C[NH3+] ZINC000851664106 588613825 /nfs/dbraw/zinc/61/38/25/588613825.db2.gz RBMVQOCDQXYLTD-QMMMGPOBSA-N 1 0 201.270 -0.165 20 30 BBEDRO C=CCCNC(=O)N(CC[NH3+])CCO ZINC000851669594 588614254 /nfs/dbraw/zinc/61/42/54/588614254.db2.gz PIDZPQHWXYPDFK-UHFFFAOYSA-N 1 0 201.270 -0.475 20 30 BBEDRO C=CCOCCCNC(=O)N(CC[NH3+])CCO ZINC000851674349 588614449 /nfs/dbraw/zinc/61/44/49/588614449.db2.gz BUKHCXJBBHMEBO-UHFFFAOYSA-N 1 0 245.323 -0.458 20 30 BBEDRO C=CCOCCNC(=O)N(CC[NH3+])CCO ZINC000851676990 588614410 /nfs/dbraw/zinc/61/44/10/588614410.db2.gz QLIGHUOWIFNNQW-UHFFFAOYSA-N 1 0 231.296 -0.848 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851677402 588614440 /nfs/dbraw/zinc/61/44/40/588614440.db2.gz VLIXSFCSNMZCDV-AKJDGMEZSA-N 1 0 249.314 -0.218 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851677406 588614568 /nfs/dbraw/zinc/61/45/68/588614568.db2.gz VLIXSFCSNMZCDV-QWKFWESOSA-N 1 0 249.314 -0.218 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851678768 588614422 /nfs/dbraw/zinc/61/44/22/588614422.db2.gz IYCHFZJWQCMWLY-SSDOTTSWSA-N 1 0 249.274 -0.538 20 30 BBEDRO C#C[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851678769 588614442 /nfs/dbraw/zinc/61/44/42/588614442.db2.gz IYCHFZJWQCMWLY-ZETCQYMHSA-N 1 0 249.274 -0.538 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@H](C)C[NH2+]C ZINC000851682342 588614605 /nfs/dbraw/zinc/61/46/05/588614605.db2.gz SWRRGPAXUICIHP-NXEZZACHSA-N 1 0 225.292 -0.362 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@@H](C)C[NH2+]C ZINC000851682347 588614738 /nfs/dbraw/zinc/61/47/38/588614738.db2.gz SWRRGPAXUICIHP-UWVGGRQHSA-N 1 0 225.292 -0.362 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)C[NH2+]C ZINC000851682349 588614713 /nfs/dbraw/zinc/61/47/13/588614713.db2.gz SWRRGPAXUICIHP-VHSXEESVSA-N 1 0 225.292 -0.362 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@H](C)C[NH2+]C ZINC000851682352 588614787 /nfs/dbraw/zinc/61/47/87/588614787.db2.gz SWRRGPAXUICIHP-ZJUUUORDSA-N 1 0 225.292 -0.362 20 30 BBEDRO C=CCOCCCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000851689142 588614651 /nfs/dbraw/zinc/61/46/51/588614651.db2.gz KVULKCDYPTVDIM-VIFPVBQESA-N 1 0 243.307 -0.841 20 30 BBEDRO C=CCN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000851689655 588614709 /nfs/dbraw/zinc/61/47/09/588614709.db2.gz PJVGQLKKNGDFRE-JTQLQIEISA-N 1 0 239.319 -0.113 20 30 BBEDRO C#CCOCCN1CC[NH+](CCO)CC1 ZINC000851718321 588616200 /nfs/dbraw/zinc/61/62/00/588616200.db2.gz IVBCCHAXCMPKKK-UHFFFAOYSA-N 1 0 212.293 -0.754 20 30 BBEDRO C#CCOCC[NH+]1CCC(C(N)=O)CC1 ZINC000851718893 582963958 /nfs/dbraw/zinc/96/39/58/582963958.db2.gz RSBLFVZECCEDKT-UHFFFAOYSA-N 1 0 210.277 -0.167 20 30 BBEDRO C#CCOCC[N@H+]1CCCC[C@H]1C(N)=O ZINC000851722490 588617591 /nfs/dbraw/zinc/61/75/91/588617591.db2.gz WMWGYIZRSFHWFB-JTQLQIEISA-N 1 0 210.277 -0.024 20 30 BBEDRO C#CCOCC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000851722493 588617735 /nfs/dbraw/zinc/61/77/35/588617735.db2.gz WMWGYIZRSFHWFB-SNVBAGLBSA-N 1 0 210.277 -0.024 20 30 BBEDRO C#CCOCCN1CC[NH+](CCOC)CC1 ZINC000851724845 588617657 /nfs/dbraw/zinc/61/76/57/588617657.db2.gz JWGRZXUATPXAFZ-UHFFFAOYSA-N 1 0 226.320 -0.100 20 30 BBEDRO C#CCOCC[N@H+]1CCC[C@H]1C(=O)NC ZINC000851736052 588620326 /nfs/dbraw/zinc/62/03/26/588620326.db2.gz LMKWCIJBONYWSF-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCOCC[N@H+]1CCC[C@@H]1C(=O)NC ZINC000851736053 588620416 /nfs/dbraw/zinc/62/04/16/588620416.db2.gz LMKWCIJBONYWSF-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCOCC[N@H+]1CCCN(C(N)=O)CC1 ZINC000851746590 588622213 /nfs/dbraw/zinc/62/22/13/588622213.db2.gz NNXGTNAIBQKLDB-UHFFFAOYSA-N 1 0 225.292 -0.277 20 30 BBEDRO C#CCOCC[N@@H+](CCO)CCOC ZINC000851748922 588622719 /nfs/dbraw/zinc/62/27/19/588622719.db2.gz YDRNRXDESLQTSH-UHFFFAOYSA-N 1 0 201.266 -0.423 20 30 BBEDRO C#CCOCC[NH2+]C1(CO)CCOCC1 ZINC000851750666 588623164 /nfs/dbraw/zinc/62/31/64/588623164.db2.gz HTTXVKHOLAROFP-UHFFFAOYSA-N 1 0 213.277 -0.233 20 30 BBEDRO C#CCOCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000851751544 588623571 /nfs/dbraw/zinc/62/35/71/588623571.db2.gz TVKMIVMYYHUNEG-GFCCVEGCSA-N 1 0 226.320 -0.365 20 30 BBEDRO C#CCOCCN1CC[NH+](C[C@H](C)O)CC1 ZINC000851751546 588623617 /nfs/dbraw/zinc/62/36/17/588623617.db2.gz TVKMIVMYYHUNEG-LBPRGKRZSA-N 1 0 226.320 -0.365 20 30 BBEDRO C#CCOCCN1C[C@H](O)C[C@H]1C(=O)OC ZINC000851765612 588624961 /nfs/dbraw/zinc/62/49/61/588624961.db2.gz VLCWQCBVHBZBDE-ZJUUUORDSA-N 1 0 227.260 -0.756 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000851776538 588626300 /nfs/dbraw/zinc/62/63/00/588626300.db2.gz SZOJYFFKEMQYIV-JTQLQIEISA-N 1 0 246.332 -0.740 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000851776539 588626574 /nfs/dbraw/zinc/62/65/74/588626574.db2.gz SZOJYFFKEMQYIV-SNVBAGLBSA-N 1 0 246.332 -0.740 20 30 BBEDRO C#CCOCC[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000851791541 588629334 /nfs/dbraw/zinc/62/93/34/588629334.db2.gz ALGDFWQCNPKIHC-UHFFFAOYSA-N 1 0 247.298 -0.212 20 30 BBEDRO C#CCOCC[N@@H+](C)C[C@H](C)C(=O)NC ZINC000851797869 588630002 /nfs/dbraw/zinc/63/00/02/588630002.db2.gz WXQAGRZOXMANLA-JTQLQIEISA-N 1 0 212.293 -0.050 20 30 BBEDRO C#CCOCC[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000851797871 588629929 /nfs/dbraw/zinc/62/99/29/588629929.db2.gz WXQAGRZOXMANLA-SNVBAGLBSA-N 1 0 212.293 -0.050 20 30 BBEDRO C#CC[N@H+](CC)CCN1C(=O)CN(C)C1=O ZINC000851798296 645468794 /nfs/dbraw/zinc/46/87/94/645468794.db2.gz BKVXZEIZNOOWIF-UHFFFAOYSA-N 1 0 223.276 -0.165 20 30 BBEDRO C#CCOCC[NH+]1CCC(NC(N)=O)CC1 ZINC000851802441 588630963 /nfs/dbraw/zinc/63/09/63/588630963.db2.gz GOYOWTGZHQXODK-UHFFFAOYSA-N 1 0 225.292 -0.231 20 30 BBEDRO C#CCOCC[N@@H+](C)CC(C)(CO)CO ZINC000851819510 588633293 /nfs/dbraw/zinc/63/32/93/588633293.db2.gz WODSFVSYAKCQBM-UHFFFAOYSA-N 1 0 215.293 -0.441 20 30 BBEDRO C#CCOCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000851842594 588634267 /nfs/dbraw/zinc/63/42/67/588634267.db2.gz MCIZSAWQWKAQRT-JTQLQIEISA-N 1 0 246.332 -0.611 20 30 BBEDRO C#CCOCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000851842595 588634413 /nfs/dbraw/zinc/63/44/13/588634413.db2.gz MCIZSAWQWKAQRT-SNVBAGLBSA-N 1 0 246.332 -0.611 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000851862034 588635825 /nfs/dbraw/zinc/63/58/25/588635825.db2.gz ROJLJWOQQLTUHY-JTQLQIEISA-N 1 0 246.332 -0.740 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000851862035 588634967 /nfs/dbraw/zinc/63/49/67/588634967.db2.gz ROJLJWOQQLTUHY-SNVBAGLBSA-N 1 0 246.332 -0.740 20 30 BBEDRO C#CCC[NH+]1CCN(CCc2cn[nH]n2)CC1 ZINC000851872489 588637736 /nfs/dbraw/zinc/63/77/36/588637736.db2.gz FDANHZIZBXCHRZ-UHFFFAOYSA-N 1 0 233.319 -0.012 20 30 BBEDRO C#CCOCC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000851873144 588637649 /nfs/dbraw/zinc/63/76/49/588637649.db2.gz SASLWEDOEKIRRK-UHFFFAOYSA-N 1 0 246.332 -0.611 20 30 BBEDRO C#CCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000851873231 588637718 /nfs/dbraw/zinc/63/77/18/588637718.db2.gz TXXMWCFQCDTJGQ-UHFFFAOYSA-N 1 0 219.292 -0.054 20 30 BBEDRO C#CCCN1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000851873437 588637538 /nfs/dbraw/zinc/63/75/38/588637538.db2.gz YKYCELHHWDONRC-GFCCVEGCSA-N 1 0 235.331 -0.237 20 30 BBEDRO C#CCCN1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000851873438 588637532 /nfs/dbraw/zinc/63/75/32/588637532.db2.gz YKYCELHHWDONRC-LBPRGKRZSA-N 1 0 235.331 -0.237 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000851881609 588639404 /nfs/dbraw/zinc/63/94/04/588639404.db2.gz MBTMOHDXVUZILM-SECBINFHSA-N 1 0 211.265 -0.621 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000851881611 588639401 /nfs/dbraw/zinc/63/94/01/588639401.db2.gz MBTMOHDXVUZILM-VIFPVBQESA-N 1 0 211.265 -0.621 20 30 BBEDRO C#CCOCC[N@@H+](C)CCNC(=O)N(C)C ZINC000851886290 588640138 /nfs/dbraw/zinc/64/01/38/588640138.db2.gz FATDHLPFKOFSMA-UHFFFAOYSA-N 1 0 227.308 -0.161 20 30 BBEDRO C#CCOCC[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000851887407 588640489 /nfs/dbraw/zinc/64/04/89/588640489.db2.gz OGDUBAOAYSSXHM-UHFFFAOYSA-N 1 0 241.287 -0.364 20 30 BBEDRO C#CCOCC[NH2+][C@H](C(=O)NC)C(C)C ZINC000851902427 588642054 /nfs/dbraw/zinc/64/20/54/588642054.db2.gz MBYHHKPMBHQJFL-JTQLQIEISA-N 1 0 212.293 -0.004 20 30 BBEDRO C#CCOCC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000851917909 588643271 /nfs/dbraw/zinc/64/32/71/588643271.db2.gz QKHRDQOLBWBHSS-LLVKDONJSA-N 1 0 213.277 -0.281 20 30 BBEDRO C#CCOCC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000851917910 588643263 /nfs/dbraw/zinc/64/32/63/588643263.db2.gz QKHRDQOLBWBHSS-NSHDSACASA-N 1 0 213.277 -0.281 20 30 BBEDRO C#CCOCC[NH2+][C@H](CO)c1cnn(C)c1 ZINC000851933918 588645518 /nfs/dbraw/zinc/64/55/18/588645518.db2.gz WKOFEDYLOCOSGF-LLVKDONJSA-N 1 0 223.276 -0.307 20 30 BBEDRO C#CCOCC[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000851933919 582980433 /nfs/dbraw/zinc/98/04/33/582980433.db2.gz WKOFEDYLOCOSGF-NSHDSACASA-N 1 0 223.276 -0.307 20 30 BBEDRO C#CC[N@@H+](CCN1C(=O)CN(C)C1=O)C1CC1 ZINC000851938588 588646190 /nfs/dbraw/zinc/64/61/90/588646190.db2.gz UKVFMCUYEIBJKC-UHFFFAOYSA-N 1 0 235.287 -0.022 20 30 BBEDRO C#CCOCC[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000851942334 588646234 /nfs/dbraw/zinc/64/62/34/588646234.db2.gz SJQZTOXOSSUDSP-GFCCVEGCSA-N 1 0 241.287 -0.052 20 30 BBEDRO C#CCOCC[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000851942335 588646386 /nfs/dbraw/zinc/64/63/86/588646386.db2.gz SJQZTOXOSSUDSP-LBPRGKRZSA-N 1 0 241.287 -0.052 20 30 BBEDRO C#C[C@H]([NH2+]C[C@H]1CNC(=O)C1)[C@@H]1CCCO1 ZINC000851950003 588646980 /nfs/dbraw/zinc/64/69/80/588646980.db2.gz LISSTGXHLCBWKZ-DCAQKATOSA-N 1 0 222.288 -0.107 20 30 BBEDRO C#C[C@H]([NH2+]C[C@H]1CNC(=O)C1)[C@H]1CCCO1 ZINC000851950004 582982617 /nfs/dbraw/zinc/98/26/17/582982617.db2.gz LISSTGXHLCBWKZ-GARJFASQSA-N 1 0 222.288 -0.107 20 30 BBEDRO C#C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)[C@H]1CCCO1 ZINC000851950005 582982743 /nfs/dbraw/zinc/98/27/43/582982743.db2.gz LISSTGXHLCBWKZ-OUAUKWLOSA-N 1 0 222.288 -0.107 20 30 BBEDRO C#C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)[C@@H]1CCCO1 ZINC000851950006 582983189 /nfs/dbraw/zinc/98/31/89/582983189.db2.gz LISSTGXHLCBWKZ-VWYCJHECSA-N 1 0 222.288 -0.107 20 30 BBEDRO C#CCOCCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000851956449 588647752 /nfs/dbraw/zinc/64/77/52/588647752.db2.gz BYKTZZGCZCGBJY-GFCCVEGCSA-N 1 0 226.320 -0.365 20 30 BBEDRO C#CCOCC[N@@H+](CCO)CCCOC ZINC000851967474 588648677 /nfs/dbraw/zinc/64/86/77/588648677.db2.gz BORAQFSKWMBWSX-UHFFFAOYSA-N 1 0 215.293 -0.033 20 30 BBEDRO C#CCOCC[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000851972334 588649851 /nfs/dbraw/zinc/64/98/51/588649851.db2.gz NDQSTBQLZXBHSR-GHMZBOCLSA-N 1 0 215.293 -0.300 20 30 BBEDRO C#CCOCC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000851972341 588649374 /nfs/dbraw/zinc/64/93/74/588649374.db2.gz NDQSTBQLZXBHSR-MNOVXSKESA-N 1 0 215.293 -0.300 20 30 BBEDRO C#CCOCC[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000851972343 588649559 /nfs/dbraw/zinc/64/95/59/588649559.db2.gz NDQSTBQLZXBHSR-QWRGUYRKSA-N 1 0 215.293 -0.300 20 30 BBEDRO C#CCOCC[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000851972411 588649657 /nfs/dbraw/zinc/64/96/57/588649657.db2.gz NDQSTBQLZXBHSR-WDEREUQCSA-N 1 0 215.293 -0.300 20 30 BBEDRO C#CCOCCN1C[C@H](O)C[C@@H]1C(=O)OC ZINC000851977263 588650629 /nfs/dbraw/zinc/65/06/29/588650629.db2.gz VLCWQCBVHBZBDE-NXEZZACHSA-N 1 0 227.260 -0.756 20 30 BBEDRO C#CCOCCN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000851977264 588650564 /nfs/dbraw/zinc/65/05/64/588650564.db2.gz VLCWQCBVHBZBDE-UWVGGRQHSA-N 1 0 227.260 -0.756 20 30 BBEDRO C#CCOCCN1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000851977265 588650743 /nfs/dbraw/zinc/65/07/43/588650743.db2.gz VLCWQCBVHBZBDE-VHSXEESVSA-N 1 0 227.260 -0.756 20 30 BBEDRO C#CCN(C)CC(=O)Nc1cnccn1 ZINC000851977631 588650351 /nfs/dbraw/zinc/65/03/51/588650351.db2.gz FKECIAJDUCQATQ-UHFFFAOYSA-N 1 0 204.233 -0.020 20 30 BBEDRO C#CC[N@@H+](C)CCN1C(=O)CN(C)C1=O ZINC000851978506 588650979 /nfs/dbraw/zinc/65/09/79/588650979.db2.gz MOYZCFHAOIJJNN-UHFFFAOYSA-N 1 0 209.249 -0.555 20 30 BBEDRO C#CC[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851978553 588651130 /nfs/dbraw/zinc/65/11/30/588651130.db2.gz OIEKDCOLLUMVIQ-CYBMUJFWSA-N 1 0 232.283 -0.076 20 30 BBEDRO C#CC[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851978554 588650835 /nfs/dbraw/zinc/65/08/35/588650835.db2.gz OIEKDCOLLUMVIQ-ZDUSSCGKSA-N 1 0 232.283 -0.076 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000851978690 588650995 /nfs/dbraw/zinc/65/09/95/588650995.db2.gz PVXBNVGQSFYLML-GHMZBOCLSA-N 1 0 213.277 -0.689 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000851978691 588651081 /nfs/dbraw/zinc/65/10/81/588651081.db2.gz PVXBNVGQSFYLML-MNOVXSKESA-N 1 0 213.277 -0.689 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000851978692 588651166 /nfs/dbraw/zinc/65/11/66/588651166.db2.gz PVXBNVGQSFYLML-QWRGUYRKSA-N 1 0 213.277 -0.689 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000851978693 588651124 /nfs/dbraw/zinc/65/11/24/588651124.db2.gz PVXBNVGQSFYLML-WDEREUQCSA-N 1 0 213.277 -0.689 20 30 BBEDRO C#CCOCC[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000851982704 588651298 /nfs/dbraw/zinc/65/12/98/588651298.db2.gz MEKIPALPHRLGOA-PHIMTYICSA-N 1 0 213.277 -0.018 20 30 BBEDRO C#CCOCC[NH2+]C1(CO)COC(C)(C)OC1 ZINC000851988257 588652154 /nfs/dbraw/zinc/65/21/54/588652154.db2.gz LHHQPNNOAFZNGM-UHFFFAOYSA-N 1 0 243.303 -0.260 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000852004436 588654487 /nfs/dbraw/zinc/65/44/87/588654487.db2.gz QURJWOJAEUYOGU-LLVKDONJSA-N 1 0 210.277 -0.167 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000852004437 588654453 /nfs/dbraw/zinc/65/44/53/588654453.db2.gz QURJWOJAEUYOGU-NSHDSACASA-N 1 0 210.277 -0.167 20 30 BBEDRO C#CCOCC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000852012846 588655540 /nfs/dbraw/zinc/65/55/40/588655540.db2.gz OZXDBQTWYWEPEW-NXEZZACHSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCOCC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000852012847 588655467 /nfs/dbraw/zinc/65/54/67/588655467.db2.gz OZXDBQTWYWEPEW-UWVGGRQHSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCOCC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000852012849 582993164 /nfs/dbraw/zinc/99/31/64/582993164.db2.gz OZXDBQTWYWEPEW-VHSXEESVSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCOCC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000852012852 582992972 /nfs/dbraw/zinc/99/29/72/582992972.db2.gz OZXDBQTWYWEPEW-ZJUUUORDSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCOCCN1CC(=O)N(C)[C@H](C)C1 ZINC000852014595 588653252 /nfs/dbraw/zinc/65/32/52/588653252.db2.gz OFTRYBAIPHXSJZ-SNVBAGLBSA-N 1 0 210.277 -0.201 20 30 BBEDRO C#CCOCC[N@H+](CC)CCOCCO ZINC000852016076 588655589 /nfs/dbraw/zinc/65/55/89/588655589.db2.gz UIXGZQWYDKPJLK-UHFFFAOYSA-N 1 0 215.293 -0.033 20 30 BBEDRO C#CCOCC[N@@H+](CCO)C[C@H](C)O ZINC000852056060 588658270 /nfs/dbraw/zinc/65/82/70/588658270.db2.gz ZJQMNPKQUWGWPC-JTQLQIEISA-N 1 0 201.266 -0.689 20 30 BBEDRO C#CCOCC[N@@H+](CCO)C[C@@H](C)O ZINC000852056070 588658343 /nfs/dbraw/zinc/65/83/43/588658343.db2.gz ZJQMNPKQUWGWPC-SNVBAGLBSA-N 1 0 201.266 -0.689 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCn2cncc2C1 ZINC000852066143 588658760 /nfs/dbraw/zinc/65/87/60/588658760.db2.gz OJBJVEJFQCXLSZ-UHFFFAOYSA-N 1 0 232.287 -0.162 20 30 BBEDRO C#CCOCC[N@H+]1CCCN(C=O)CC1 ZINC000852072554 588659344 /nfs/dbraw/zinc/65/93/44/588659344.db2.gz CEBDALFSOVCHQE-UHFFFAOYSA-N 1 0 210.277 -0.200 20 30 BBEDRO C#CCOCC[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000852077501 588660359 /nfs/dbraw/zinc/66/03/59/588660359.db2.gz WUDHZYSSNRLFAJ-URLYPYJESA-N 1 0 223.272 -0.013 20 30 BBEDRO C#CCNC(=O)C[NH2+]C1(COC)CCOCC1 ZINC000852089155 588661044 /nfs/dbraw/zinc/66/10/44/588661044.db2.gz KXSDIVSBPGMQQO-UHFFFAOYSA-N 1 0 240.303 -0.479 20 30 BBEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NC(=O)NC ZINC000852097984 588662364 /nfs/dbraw/zinc/66/23/64/588662364.db2.gz BPNKKCFXCFSRSW-JTQLQIEISA-N 1 0 211.265 -0.167 20 30 BBEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NC(=O)NC ZINC000852097985 588660779 /nfs/dbraw/zinc/66/07/79/588660779.db2.gz BPNKKCFXCFSRSW-SNVBAGLBSA-N 1 0 211.265 -0.167 20 30 BBEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N1CCNC1=O ZINC000852098680 588662323 /nfs/dbraw/zinc/66/23/23/588662323.db2.gz SSIFHHFFCKQBAT-LLVKDONJSA-N 1 0 223.276 -0.070 20 30 BBEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCNC1=O ZINC000852098681 588662339 /nfs/dbraw/zinc/66/23/39/588662339.db2.gz SSIFHHFFCKQBAT-NSHDSACASA-N 1 0 223.276 -0.070 20 30 BBEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000852098814 588662387 /nfs/dbraw/zinc/66/23/87/588662387.db2.gz WUXPPQTXGQVMRS-GFCCVEGCSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000852098815 583000274 /nfs/dbraw/zinc/00/02/74/583000274.db2.gz WUXPPQTXGQVMRS-LBPRGKRZSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)NC(N)=O ZINC000852098874 588662532 /nfs/dbraw/zinc/66/25/32/588662532.db2.gz YFNPXIRGCHQJLB-JTQLQIEISA-N 1 0 211.265 -0.037 20 30 BBEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)NC(N)=O ZINC000852098875 588662306 /nfs/dbraw/zinc/66/23/06/588662306.db2.gz YFNPXIRGCHQJLB-SNVBAGLBSA-N 1 0 211.265 -0.037 20 30 BBEDRO C#C[C@](C)(CC)[NH2+]CCNS(C)(=O)=O ZINC000852100162 588662869 /nfs/dbraw/zinc/66/28/69/588662869.db2.gz UQECLADRNOLFTJ-SECBINFHSA-N 1 0 218.322 -0.073 20 30 BBEDRO C#C[C@@](C)(CC)[NH2+]CCNS(C)(=O)=O ZINC000852100171 588662607 /nfs/dbraw/zinc/66/26/07/588662607.db2.gz UQECLADRNOLFTJ-VIFPVBQESA-N 1 0 218.322 -0.073 20 30 BBEDRO C=C(Cl)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000852137698 588666562 /nfs/dbraw/zinc/66/65/62/588666562.db2.gz UXBHGUMKIPYYRI-KNVOCYPGSA-N 1 0 214.652 -0.057 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@](CO)(COC)C1 ZINC000852146492 588667348 /nfs/dbraw/zinc/66/73/48/588667348.db2.gz OTRRREBEAMPHLJ-GFCCVEGCSA-N 1 0 227.304 -0.033 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@](CO)(COC)C1 ZINC000852146493 588667017 /nfs/dbraw/zinc/66/70/17/588667017.db2.gz OTRRREBEAMPHLJ-LBPRGKRZSA-N 1 0 227.304 -0.033 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000852151755 588667621 /nfs/dbraw/zinc/66/76/21/588667621.db2.gz MHJHQJZBXFBBOF-GHMZBOCLSA-N 1 0 238.287 -0.775 20 30 BBEDRO C#CCOCC[NH2+][C@@H](CO)c1ccnn1C ZINC000852161370 588668463 /nfs/dbraw/zinc/66/84/63/588668463.db2.gz NFAQDFUTNKFRAU-JTQLQIEISA-N 1 0 223.276 -0.307 20 30 BBEDRO C#CCOCC[NH2+][C@H](CO)c1ccnn1C ZINC000852161371 588668359 /nfs/dbraw/zinc/66/83/59/588668359.db2.gz NFAQDFUTNKFRAU-SNVBAGLBSA-N 1 0 223.276 -0.307 20 30 BBEDRO C#CCOCC[N@H+]1CCC[C@](O)(CO)C1 ZINC000852162158 588668570 /nfs/dbraw/zinc/66/85/70/588668570.db2.gz YKTMPSBTSGLQBG-LLVKDONJSA-N 1 0 213.277 -0.545 20 30 BBEDRO C#CCOCC[N@H+]1CCC[C@@](O)(CO)C1 ZINC000852162159 588668404 /nfs/dbraw/zinc/66/84/04/588668404.db2.gz YKTMPSBTSGLQBG-NSHDSACASA-N 1 0 213.277 -0.545 20 30 BBEDRO C#CCOCC[NH2+]C1(C(=O)N(C)C)CC1 ZINC000852171244 588669178 /nfs/dbraw/zinc/66/91/78/588669178.db2.gz BXFILYDPWDTRJT-UHFFFAOYSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@H](C(=O)NC)C1 ZINC000852183967 588669881 /nfs/dbraw/zinc/66/98/81/588669881.db2.gz CPJSTAUOJYHHCP-JTQLQIEISA-N 1 0 210.277 -0.296 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@H](C(=O)NC)C1 ZINC000852183968 588670236 /nfs/dbraw/zinc/67/02/36/588670236.db2.gz CPJSTAUOJYHHCP-SNVBAGLBSA-N 1 0 210.277 -0.296 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000852185008 588670719 /nfs/dbraw/zinc/67/07/19/588670719.db2.gz SQFRTUJJHILYOS-LLVKDONJSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000852185009 588670581 /nfs/dbraw/zinc/67/05/81/588670581.db2.gz SQFRTUJJHILYOS-NSHDSACASA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCOCC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000852208975 588672402 /nfs/dbraw/zinc/67/24/02/588672402.db2.gz LFPHJSDVODUVCU-GHMZBOCLSA-N 1 0 241.287 -0.508 20 30 BBEDRO C#CCOCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000852208976 588672325 /nfs/dbraw/zinc/67/23/25/588672325.db2.gz LFPHJSDVODUVCU-MNOVXSKESA-N 1 0 241.287 -0.508 20 30 BBEDRO C#CCOCC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000852208977 588672378 /nfs/dbraw/zinc/67/23/78/588672378.db2.gz LFPHJSDVODUVCU-QWRGUYRKSA-N 1 0 241.287 -0.508 20 30 BBEDRO C#CCOCC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000852208978 588672354 /nfs/dbraw/zinc/67/23/54/588672354.db2.gz LFPHJSDVODUVCU-WDEREUQCSA-N 1 0 241.287 -0.508 20 30 BBEDRO C#CCOCC[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000852212319 588672795 /nfs/dbraw/zinc/67/27/95/588672795.db2.gz ZCGHSCDJRBEVPR-GHMZBOCLSA-N 1 0 213.277 -0.282 20 30 BBEDRO C#CCOCC[N@H+]1C[C@H](O)C[C@H]1COC ZINC000852212320 588672655 /nfs/dbraw/zinc/67/26/55/588672655.db2.gz ZCGHSCDJRBEVPR-WDEREUQCSA-N 1 0 213.277 -0.282 20 30 BBEDRO C#CCOCC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000852214205 588672902 /nfs/dbraw/zinc/67/29/02/588672902.db2.gz UKNVKUOXGQSLNS-PKFCDNJMSA-N 1 0 213.302 -0.159 20 30 BBEDRO C#CCOCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000852214207 588672885 /nfs/dbraw/zinc/67/28/85/588672885.db2.gz UKNVKUOXGQSLNS-BHDSKKPTSA-N 1 0 213.302 -0.159 20 30 BBEDRO C#CCOCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000852216176 645476367 /nfs/dbraw/zinc/47/63/67/645476367.db2.gz VANSMGIVOYCCQT-NWDGAFQWSA-N 1 0 224.304 -0.613 20 30 BBEDRO C#CCOCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000852251326 588674408 /nfs/dbraw/zinc/67/44/08/588674408.db2.gz NCBMGWIMVXRDGQ-UHFFFAOYSA-N 1 0 239.319 -0.161 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N(C)Cc1c[nH]cn1 ZINC000852285076 588676020 /nfs/dbraw/zinc/67/60/20/588676020.db2.gz ZGYBUCHMJKJZSO-SECBINFHSA-N 1 0 220.276 -0.021 20 30 BBEDRO C#CCNC(=O)CN1CCC2=C(CCC(=O)N2)C1 ZINC000852301509 588677444 /nfs/dbraw/zinc/67/74/44/588677444.db2.gz NQDGYDFNORRACA-UHFFFAOYSA-N 1 0 247.298 -0.394 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852317721 588677858 /nfs/dbraw/zinc/67/78/58/588677858.db2.gz RYCWRRLWKHHEAL-LLVKDONJSA-N 1 0 247.302 -0.651 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852317722 588678100 /nfs/dbraw/zinc/67/81/00/588678100.db2.gz RYCWRRLWKHHEAL-NSHDSACASA-N 1 0 247.302 -0.651 20 30 BBEDRO N#CC[C@H]1CCCN(CCS(N)(=O)=O)C1 ZINC000852319625 588677852 /nfs/dbraw/zinc/67/78/52/588677852.db2.gz QPQOXWBZAVJFMQ-SECBINFHSA-N 1 0 231.321 -0.099 20 30 BBEDRO N#CC[C@@H]1CCCN(CCS(N)(=O)=O)C1 ZINC000852319626 588677775 /nfs/dbraw/zinc/67/77/75/588677775.db2.gz QPQOXWBZAVJFMQ-VIFPVBQESA-N 1 0 231.321 -0.099 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C1CCC1 ZINC000852320278 588678338 /nfs/dbraw/zinc/67/83/38/588678338.db2.gz IRAWSDSYCOORBY-LLVKDONJSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)C1CCC1 ZINC000852320279 588678324 /nfs/dbraw/zinc/67/83/24/588678324.db2.gz IRAWSDSYCOORBY-NSHDSACASA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000852321668 588678560 /nfs/dbraw/zinc/67/85/60/588678560.db2.gz YZINDNZDHVCQRL-JTQLQIEISA-N 1 0 210.277 -0.514 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000852321669 588678491 /nfs/dbraw/zinc/67/84/91/588678491.db2.gz YZINDNZDHVCQRL-SNVBAGLBSA-N 1 0 210.277 -0.514 20 30 BBEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCOCCC#N ZINC000852414050 588681865 /nfs/dbraw/zinc/68/18/65/588681865.db2.gz HNHJUCSOBLZRPC-VHSXEESVSA-N 1 0 242.275 -0.163 20 30 BBEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCO[C@H](C)C#N ZINC000852414634 588681857 /nfs/dbraw/zinc/68/18/57/588681857.db2.gz RZOOHGSJWAALHN-KXUCPTDWSA-N 1 0 242.275 -0.165 20 30 BBEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCO[C@@H](C)C#N ZINC000852414635 588681855 /nfs/dbraw/zinc/68/18/55/588681855.db2.gz RZOOHGSJWAALHN-LPEHRKFASA-N 1 0 242.275 -0.165 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C[C@@H]1COCCO1 ZINC000852498407 588686005 /nfs/dbraw/zinc/68/60/05/588686005.db2.gz HHOVQZRXJQXNJY-LLVKDONJSA-N 1 0 240.303 -0.527 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H]1COCCO1 ZINC000852498408 588685722 /nfs/dbraw/zinc/68/57/22/588685722.db2.gz HHOVQZRXJQXNJY-NSHDSACASA-N 1 0 240.303 -0.527 20 30 BBEDRO C#CCOCC[NH+]1CCC(O)(CO)CC1 ZINC000852500147 588685737 /nfs/dbraw/zinc/68/57/37/588685737.db2.gz ILKIQTMJUGSOJZ-UHFFFAOYSA-N 1 0 213.277 -0.545 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000852502941 588686242 /nfs/dbraw/zinc/68/62/42/588686242.db2.gz OCHYGRPRWVLCML-CYBMUJFWSA-N 1 0 236.315 -0.027 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000852502942 588686456 /nfs/dbraw/zinc/68/64/56/588686456.db2.gz OCHYGRPRWVLCML-ZDUSSCGKSA-N 1 0 236.315 -0.027 20 30 BBEDRO C[C@@]12COC[C@@H]1C[N@H+](CC(=O)NCCC#N)C2 ZINC000852532331 588688254 /nfs/dbraw/zinc/68/82/54/588688254.db2.gz IAPBMWTUBSAAGQ-CMPLNLGQSA-N 1 0 237.303 -0.015 20 30 BBEDRO C[C@]12COC[C@@H]1C[N@H+](CC(=O)NCCC#N)C2 ZINC000852532332 588688227 /nfs/dbraw/zinc/68/82/27/588688227.db2.gz IAPBMWTUBSAAGQ-JQWIXIFHSA-N 1 0 237.303 -0.015 20 30 BBEDRO C[C@]12COC[C@H]1C[N@H+](CC(=O)NCCC#N)C2 ZINC000852532333 588688408 /nfs/dbraw/zinc/68/84/08/588688408.db2.gz IAPBMWTUBSAAGQ-PWSUYJOCSA-N 1 0 237.303 -0.015 20 30 BBEDRO C[C@@]12COC[C@H]1C[N@H+](CC(=O)NCCC#N)C2 ZINC000852532334 588688175 /nfs/dbraw/zinc/68/81/75/588688175.db2.gz IAPBMWTUBSAAGQ-ZYHUDNBSSA-N 1 0 237.303 -0.015 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000852532531 588688185 /nfs/dbraw/zinc/68/81/85/588688185.db2.gz LMWGCGXCRQDMBG-CMPLNLGQSA-N 1 0 222.288 -0.296 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000852532532 588688315 /nfs/dbraw/zinc/68/83/15/588688315.db2.gz LMWGCGXCRQDMBG-JQWIXIFHSA-N 1 0 222.288 -0.296 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000852532533 588688224 /nfs/dbraw/zinc/68/82/24/588688224.db2.gz LMWGCGXCRQDMBG-PWSUYJOCSA-N 1 0 222.288 -0.296 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000852532534 588688346 /nfs/dbraw/zinc/68/83/46/588688346.db2.gz LMWGCGXCRQDMBG-ZYHUDNBSSA-N 1 0 222.288 -0.296 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536966 588689246 /nfs/dbraw/zinc/68/92/46/588689246.db2.gz LNDWBPOIIVRXJS-JBLDHEPKSA-N 1 0 222.288 -0.419 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536967 588689297 /nfs/dbraw/zinc/68/92/97/588689297.db2.gz LNDWBPOIIVRXJS-JFGNBEQYSA-N 1 0 222.288 -0.419 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852538348 588689219 /nfs/dbraw/zinc/68/92/19/588689219.db2.gz ZSRJHGUXJBIMSK-CMPLNLGQSA-N 1 0 222.288 -0.417 20 30 BBEDRO C#CCNC(=O)CCN(C)Cc1cn(C)nn1 ZINC000852553186 588689639 /nfs/dbraw/zinc/68/96/39/588689639.db2.gz NKTQXNWHNNKJCO-UHFFFAOYSA-N 1 0 235.291 -0.614 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000852560061 588690466 /nfs/dbraw/zinc/69/04/66/588690466.db2.gz WXJZAHMIWNZLLA-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000852560062 588690462 /nfs/dbraw/zinc/69/04/62/588690462.db2.gz WXJZAHMIWNZLLA-WDEREUQCSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000852561457 588690657 /nfs/dbraw/zinc/69/06/57/588690657.db2.gz OHHWPVHTFAIINS-NXEZZACHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000852561458 588690724 /nfs/dbraw/zinc/69/07/24/588690724.db2.gz OHHWPVHTFAIINS-VHSXEESVSA-N 1 0 210.277 -0.419 20 30 BBEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000852561811 588690667 /nfs/dbraw/zinc/69/06/67/588690667.db2.gz VMBBFSJKKPRILF-NXEZZACHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000852561812 588690696 /nfs/dbraw/zinc/69/06/96/588690696.db2.gz VMBBFSJKKPRILF-VHSXEESVSA-N 1 0 225.292 -0.139 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCC(=O)N(C)CC1 ZINC000852578216 588691599 /nfs/dbraw/zinc/69/15/99/588691599.db2.gz XJWISCOJGUOFOV-UHFFFAOYSA-N 1 0 237.303 -0.710 20 30 BBEDRO C#CCOCC[N@@H+]1CCC(=O)N(C)CC1 ZINC000852578580 588691568 /nfs/dbraw/zinc/69/15/68/588691568.db2.gz PRNSJMXAGIDOGX-UHFFFAOYSA-N 1 0 210.277 -0.200 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000852579754 588691518 /nfs/dbraw/zinc/69/15/18/588691518.db2.gz KZHNIKLJUQMKLZ-JTQLQIEISA-N 1 0 237.303 -0.712 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000852579760 588691680 /nfs/dbraw/zinc/69/16/80/588691680.db2.gz KZHNIKLJUQMKLZ-SNVBAGLBSA-N 1 0 237.303 -0.712 20 30 BBEDRO N#CCCNC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852583922 588692025 /nfs/dbraw/zinc/69/20/25/588692025.db2.gz AZDUJIXKNIVRPC-NXEZZACHSA-N 1 0 237.303 -0.091 20 30 BBEDRO N#CCCNC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852583923 588691960 /nfs/dbraw/zinc/69/19/60/588691960.db2.gz AZDUJIXKNIVRPC-UWVGGRQHSA-N 1 0 237.303 -0.091 20 30 BBEDRO N#CCCNC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852583924 588691915 /nfs/dbraw/zinc/69/19/15/588691915.db2.gz AZDUJIXKNIVRPC-VHSXEESVSA-N 1 0 237.303 -0.091 20 30 BBEDRO N#CCCNC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852583925 588691931 /nfs/dbraw/zinc/69/19/31/588691931.db2.gz AZDUJIXKNIVRPC-ZJUUUORDSA-N 1 0 237.303 -0.091 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852585263 588692407 /nfs/dbraw/zinc/69/24/07/588692407.db2.gz CGXFEQQXXFAUSU-NXEZZACHSA-N 1 0 222.288 -0.371 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852585264 588692557 /nfs/dbraw/zinc/69/25/57/588692557.db2.gz CGXFEQQXXFAUSU-UWVGGRQHSA-N 1 0 222.288 -0.371 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852585265 588692474 /nfs/dbraw/zinc/69/24/74/588692474.db2.gz CGXFEQQXXFAUSU-VHSXEESVSA-N 1 0 222.288 -0.371 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852585266 588691786 /nfs/dbraw/zinc/69/17/86/588691786.db2.gz CGXFEQQXXFAUSU-ZJUUUORDSA-N 1 0 222.288 -0.371 20 30 BBEDRO C#CCN1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000852592927 588692834 /nfs/dbraw/zinc/69/28/34/588692834.db2.gz DHGXQVRGBBRMGR-AEJSXWLSSA-N 1 0 229.301 -0.637 20 30 BBEDRO C#CCCN1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000852593397 588692698 /nfs/dbraw/zinc/69/26/98/588692698.db2.gz KBACIAGSQVVHLO-AXFHLTTASA-N 1 0 243.328 -0.247 20 30 BBEDRO C#CCOCC[N@H+]1CCC(CO)(CO)C1 ZINC000852629398 588693163 /nfs/dbraw/zinc/69/31/63/588693163.db2.gz ACEPDSGDMATLPX-UHFFFAOYSA-N 1 0 213.277 -0.687 20 30 BBEDRO N#CCCNC(=O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852668378 588694405 /nfs/dbraw/zinc/69/44/05/588694405.db2.gz BWJJPHGMVOCFKL-GHMZBOCLSA-N 1 0 237.303 -0.015 20 30 BBEDRO N#CCCNC(=O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852668380 588694385 /nfs/dbraw/zinc/69/43/85/588694385.db2.gz BWJJPHGMVOCFKL-MNOVXSKESA-N 1 0 237.303 -0.015 20 30 BBEDRO N#CCCNC(=O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852668382 588694580 /nfs/dbraw/zinc/69/45/80/588694580.db2.gz BWJJPHGMVOCFKL-QWRGUYRKSA-N 1 0 237.303 -0.015 20 30 BBEDRO N#CCCNC(=O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852668384 588694537 /nfs/dbraw/zinc/69/45/37/588694537.db2.gz BWJJPHGMVOCFKL-WDEREUQCSA-N 1 0 237.303 -0.015 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCC2(COC2)C1 ZINC000852683905 588695251 /nfs/dbraw/zinc/69/52/51/588695251.db2.gz VFKXSYZLBSMOBW-UHFFFAOYSA-N 1 0 222.288 -0.152 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(COC2)C1 ZINC000852684685 588696062 /nfs/dbraw/zinc/69/60/62/588696062.db2.gz MIPLVJIGAFQXDX-JTQLQIEISA-N 1 0 222.288 -0.153 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(COC2)C1 ZINC000852684686 588695774 /nfs/dbraw/zinc/69/57/74/588695774.db2.gz MIPLVJIGAFQXDX-SNVBAGLBSA-N 1 0 222.288 -0.153 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CCC2(COC2)C1 ZINC000852684829 588696047 /nfs/dbraw/zinc/69/60/47/588696047.db2.gz OSFSBIPZCHMHCZ-UHFFFAOYSA-N 1 0 208.261 -0.542 20 30 BBEDRO C#CCNC(=O)CCN1CCc2nccnc2C1 ZINC000852698514 588696890 /nfs/dbraw/zinc/69/68/90/588696890.db2.gz SHRYCNAYXJMZLA-UHFFFAOYSA-N 1 0 244.298 -0.026 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC000852713853 588697509 /nfs/dbraw/zinc/69/75/09/588697509.db2.gz RAZJRPRMAKEELP-NXEZZACHSA-N 1 0 228.292 -0.630 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC000852713854 588697806 /nfs/dbraw/zinc/69/78/06/588697806.db2.gz RAZJRPRMAKEELP-VHSXEESVSA-N 1 0 228.292 -0.630 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)NCc1ccccn1 ZINC000852714173 588697684 /nfs/dbraw/zinc/69/76/84/588697684.db2.gz CAECRRABGHVVKD-SNVBAGLBSA-N 1 0 235.287 -0.166 20 30 BBEDRO C=C[C@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000852714510 588697059 /nfs/dbraw/zinc/69/70/59/588697059.db2.gz SVHAZKNWMCUTLK-MRVPVSSYSA-N 1 0 202.254 -0.467 20 30 BBEDRO C#CCC[N@@H+](CCOC)CCN1CCNC1=O ZINC000852748756 583016492 /nfs/dbraw/zinc/01/64/92/583016492.db2.gz GHFSDKIAWYZMQK-UHFFFAOYSA-N 1 0 239.319 -0.017 20 30 BBEDRO C#CCC[N@@H+](CCOC)C[C@@H](O)COC ZINC000852748902 588699780 /nfs/dbraw/zinc/69/97/80/588699780.db2.gz KQSJFDBIQYERNF-LLVKDONJSA-N 1 0 215.293 -0.035 20 30 BBEDRO C#CCC[N@@H+](CCOC)C[C@H](O)COC ZINC000852748903 588699768 /nfs/dbraw/zinc/69/97/68/588699768.db2.gz KQSJFDBIQYERNF-NSHDSACASA-N 1 0 215.293 -0.035 20 30 BBEDRO C#CCC[N@@H+](CCOC)CC1(CO)COC1 ZINC000852752027 712612937 /nfs/dbraw/zinc/61/29/37/712612937.db2.gz LUNREZIITQOKDB-UHFFFAOYSA-N 1 0 227.304 -0.033 20 30 BBEDRO C#CCCN(CCNS(C)(=O)=O)CCOC ZINC000852752173 712612886 /nfs/dbraw/zinc/61/28/86/712612886.db2.gz VVEWBMQDBJMCLW-UHFFFAOYSA-N 1 0 248.348 -0.493 20 30 BBEDRO C#CCCN(CCOC)CCS(N)(=O)=O ZINC000852752335 712612951 /nfs/dbraw/zinc/61/29/51/712612951.db2.gz ZJAZZXSMQITYKN-UHFFFAOYSA-N 1 0 234.321 -0.753 20 30 BBEDRO C=C(Cl)CN(CC[NH3+])C[C@@H](O)CO ZINC000852753449 645489039 /nfs/dbraw/zinc/48/90/39/645489039.db2.gz KGLBNUXUWDKTAQ-MRVPVSSYSA-N 1 0 208.689 -0.647 20 30 BBEDRO C=C(Cl)CN(CC[NH3+])C[C@H](O)CO ZINC000852753450 645489068 /nfs/dbraw/zinc/48/90/68/645489068.db2.gz KGLBNUXUWDKTAQ-QMMMGPOBSA-N 1 0 208.689 -0.647 20 30 BBEDRO COCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852799399 588704124 /nfs/dbraw/zinc/70/41/24/588704124.db2.gz GPLCQHHUBWEBHJ-UHFFFAOYSA-N 1 0 210.277 -0.248 20 30 BBEDRO O=C(C#CC1CC[NH2+]CC1)N1CCOCC1 ZINC000852800026 588704337 /nfs/dbraw/zinc/70/43/37/588704337.db2.gz LGPOYHBLYGGHQK-UHFFFAOYSA-N 1 0 222.288 -0.152 20 30 BBEDRO CCNC(=O)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852804270 588704558 /nfs/dbraw/zinc/70/45/58/588704558.db2.gz ZMRCFZWIRSBNJB-UHFFFAOYSA-N 1 0 237.303 -0.758 20 30 BBEDRO O=C(C#CC1CC[NH2+]CC1)NCC(=O)NC1CC1 ZINC000852804706 588704735 /nfs/dbraw/zinc/70/47/35/588704735.db2.gz FXKACHWGGPBGMR-UHFFFAOYSA-N 1 0 249.314 -0.616 20 30 BBEDRO CCOC(=O)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852807961 588704839 /nfs/dbraw/zinc/70/48/39/588704839.db2.gz FQNYWXBIMPJWAT-UHFFFAOYSA-N 1 0 238.287 -0.331 20 30 BBEDRO COC(=O)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852814217 588705090 /nfs/dbraw/zinc/70/50/90/588705090.db2.gz SLJYREOVOOATAT-UHFFFAOYSA-N 1 0 224.260 -0.721 20 30 BBEDRO COC(=O)[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852814483 588705184 /nfs/dbraw/zinc/70/51/84/588705184.db2.gz UGZBZXUZGUFAHI-SECBINFHSA-N 1 0 238.287 -0.333 20 30 BBEDRO COC(=O)[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852814484 588705119 /nfs/dbraw/zinc/70/51/19/588705119.db2.gz UGZBZXUZGUFAHI-VIFPVBQESA-N 1 0 238.287 -0.333 20 30 BBEDRO COC(=O)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852814566 588705106 /nfs/dbraw/zinc/70/51/06/588705106.db2.gz WVKPHLUQYYQPKZ-UHFFFAOYSA-N 1 0 238.287 -0.331 20 30 BBEDRO C=C(Br)CNC(=O)C1(O)C[NH2+]C1 ZINC000852822465 588705702 /nfs/dbraw/zinc/70/57/02/588705702.db2.gz PORGKKFGMPUUHK-UHFFFAOYSA-N 1 0 235.081 -0.655 20 30 BBEDRO CN1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC1=O ZINC000852824799 588705725 /nfs/dbraw/zinc/70/57/25/588705725.db2.gz BVBREIUSRZVKQL-LLVKDONJSA-N 1 0 249.314 -0.664 20 30 BBEDRO CN1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC1=O ZINC000852824800 588705716 /nfs/dbraw/zinc/70/57/16/588705716.db2.gz BVBREIUSRZVKQL-NSHDSACASA-N 1 0 249.314 -0.664 20 30 BBEDRO C[C@H]1C(=O)NCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852826113 588705975 /nfs/dbraw/zinc/70/59/75/588705975.db2.gz PZULEGBNCHMGJM-JTQLQIEISA-N 1 0 249.314 -0.664 20 30 BBEDRO C[C@@H]1C(=O)NCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852826114 588706046 /nfs/dbraw/zinc/70/60/46/588706046.db2.gz PZULEGBNCHMGJM-SNVBAGLBSA-N 1 0 249.314 -0.664 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000852827142 588706077 /nfs/dbraw/zinc/70/60/77/588706077.db2.gz CCFMFHDZPAOODY-GENCIFFESA-N 1 0 221.260 -0.893 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000852827143 588706152 /nfs/dbraw/zinc/70/61/52/588706152.db2.gz CCFMFHDZPAOODY-SPFKKGSWSA-N 1 0 221.260 -0.893 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000852827144 588706006 /nfs/dbraw/zinc/70/60/06/588706006.db2.gz CCFMFHDZPAOODY-SRQGCSHVSA-N 1 0 221.260 -0.893 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000852827145 588706269 /nfs/dbraw/zinc/70/62/69/588706269.db2.gz CCFMFHDZPAOODY-ZJDVBMNYSA-N 1 0 221.260 -0.893 20 30 BBEDRO CCn1cnc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000852827775 588706388 /nfs/dbraw/zinc/70/63/88/588706388.db2.gz PEBQHYCKPNCPDZ-BDAKNGLRSA-N 1 0 233.275 -0.256 20 30 BBEDRO CCn1cnc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000852827776 588706409 /nfs/dbraw/zinc/70/64/09/588706409.db2.gz PEBQHYCKPNCPDZ-DTWKUNHWSA-N 1 0 233.275 -0.256 20 30 BBEDRO CCn1cnc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000852827777 583018143 /nfs/dbraw/zinc/01/81/43/583018143.db2.gz PEBQHYCKPNCPDZ-IUCAKERBSA-N 1 0 233.275 -0.256 20 30 BBEDRO CCn1cnc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000852827778 583018411 /nfs/dbraw/zinc/01/84/11/583018411.db2.gz PEBQHYCKPNCPDZ-RKDXNWHRSA-N 1 0 233.275 -0.256 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnc2n1CCC2 ZINC000852827975 588706367 /nfs/dbraw/zinc/70/63/67/588706367.db2.gz RQWQRDBWDYFHCB-BDAKNGLRSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnc2n1CCC2 ZINC000852827976 588706401 /nfs/dbraw/zinc/70/64/01/588706401.db2.gz RQWQRDBWDYFHCB-DTWKUNHWSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnc2n1CCC2 ZINC000852827977 588706271 /nfs/dbraw/zinc/70/62/71/588706271.db2.gz RQWQRDBWDYFHCB-IUCAKERBSA-N 1 0 245.286 -0.329 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnc2n1CCC2 ZINC000852827978 588706375 /nfs/dbraw/zinc/70/63/75/588706375.db2.gz RQWQRDBWDYFHCB-RKDXNWHRSA-N 1 0 245.286 -0.329 20 30 BBEDRO CN1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1=O ZINC000852838568 588707284 /nfs/dbraw/zinc/70/72/84/588707284.db2.gz KDZSCHOCDKDAEO-LLVKDONJSA-N 1 0 249.314 -0.664 20 30 BBEDRO CN1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1=O ZINC000852838569 588707298 /nfs/dbraw/zinc/70/72/98/588707298.db2.gz KDZSCHOCDKDAEO-NSHDSACASA-N 1 0 249.314 -0.664 20 30 BBEDRO O=C(C#CC1CC[NH2+]CC1)NCC1(CO)CC1 ZINC000852838570 588707204 /nfs/dbraw/zinc/70/72/04/588707204.db2.gz KESWCCIJXORSPO-UHFFFAOYSA-N 1 0 236.315 -0.122 20 30 BBEDRO CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1=O ZINC000852841467 588707509 /nfs/dbraw/zinc/70/75/09/588707509.db2.gz FLTGYKAJWMHJND-UHFFFAOYSA-N 1 0 249.314 -0.710 20 30 BBEDRO C=C(Cl)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852841786 588707507 /nfs/dbraw/zinc/70/75/07/588707507.db2.gz PRNCMRRBUKGVHM-LURJTMIESA-N 1 0 217.656 -0.041 20 30 BBEDRO C=C(Cl)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852841787 588707465 /nfs/dbraw/zinc/70/74/65/588707465.db2.gz PRNCMRRBUKGVHM-ZCFIWIBFSA-N 1 0 217.656 -0.041 20 30 BBEDRO Cc1nonc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852841884 588707416 /nfs/dbraw/zinc/70/74/16/588707416.db2.gz LPOHCQRCCCGROC-UHFFFAOYSA-N 1 0 248.286 -0.003 20 30 BBEDRO CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852874156 588709735 /nfs/dbraw/zinc/70/97/35/588709735.db2.gz LQHVTHPSSVNEHW-UHFFFAOYSA-N 1 0 235.331 -0.237 20 30 BBEDRO CC(F)(F)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852874805 588710236 /nfs/dbraw/zinc/71/02/36/588710236.db2.gz CFPFDARLEFDJQL-NTSWFWBYSA-N 1 0 203.192 -0.131 20 30 BBEDRO CC(F)(F)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852874806 588710287 /nfs/dbraw/zinc/71/02/87/588710287.db2.gz CFPFDARLEFDJQL-PHDIDXHHSA-N 1 0 203.192 -0.131 20 30 BBEDRO CC(F)(F)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852874807 588710197 /nfs/dbraw/zinc/71/01/97/588710197.db2.gz CFPFDARLEFDJQL-RITPCOANSA-N 1 0 203.192 -0.131 20 30 BBEDRO CC(F)(F)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852874808 588710243 /nfs/dbraw/zinc/71/02/43/588710243.db2.gz CFPFDARLEFDJQL-WDSKDSINSA-N 1 0 203.192 -0.131 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cscn1 ZINC000852874825 588710165 /nfs/dbraw/zinc/71/01/65/588710165.db2.gz CMBHPMNLEYKLGL-APPZFPTMSA-N 1 0 236.300 -0.087 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cscn1 ZINC000852874826 588710201 /nfs/dbraw/zinc/71/02/01/588710201.db2.gz CMBHPMNLEYKLGL-CBAPKCEASA-N 1 0 236.300 -0.087 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1cscn1 ZINC000852874827 588710281 /nfs/dbraw/zinc/71/02/81/588710281.db2.gz CMBHPMNLEYKLGL-IONNQARKSA-N 1 0 236.300 -0.087 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cscn1 ZINC000852874828 588710179 /nfs/dbraw/zinc/71/01/79/588710179.db2.gz CMBHPMNLEYKLGL-VXNVDRBHSA-N 1 0 236.300 -0.087 20 30 BBEDRO NCC(F)(F)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852876658 588710452 /nfs/dbraw/zinc/71/04/52/588710452.db2.gz OGVCWSFCTVCINT-UHFFFAOYSA-N 1 0 245.273 -0.300 20 30 BBEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCOC1 ZINC000852884876 588711119 /nfs/dbraw/zinc/71/11/19/588711119.db2.gz PQZMUPALAYZXFF-LLVKDONJSA-N 1 0 222.288 -0.106 20 30 BBEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCOC1 ZINC000852884877 588711250 /nfs/dbraw/zinc/71/12/50/588711250.db2.gz PQZMUPALAYZXFF-NSHDSACASA-N 1 0 222.288 -0.106 20 30 BBEDRO C=CCNC(=O)CNC(=O)C=C1CC[NH2+]CC1 ZINC000852885123 588711340 /nfs/dbraw/zinc/71/13/40/588711340.db2.gz NHWCOSWMIKZAEB-UHFFFAOYSA-N 1 0 237.303 -0.285 20 30 BBEDRO C=CCNC(=O)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852886142 588711620 /nfs/dbraw/zinc/71/16/20/588711620.db2.gz YBJDDBAYYWSUAM-UHFFFAOYSA-N 1 0 249.314 -0.592 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852893676 588711729 /nfs/dbraw/zinc/71/17/29/588711729.db2.gz PXMLQAVZKNRBJD-DJLDLDEBSA-N 1 0 236.275 -0.102 20 30 BBEDRO N#C[C@H]1CC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852893678 588711893 /nfs/dbraw/zinc/71/18/93/588711893.db2.gz PXMLQAVZKNRBJD-YIZRAAEISA-N 1 0 236.275 -0.102 20 30 BBEDRO C#CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852893769 588711699 /nfs/dbraw/zinc/71/16/99/588711699.db2.gz JRDREEFJWVPZEB-MRVPVSSYSA-N 1 0 218.260 -0.150 20 30 BBEDRO C#CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852893770 588711764 /nfs/dbraw/zinc/71/17/64/588711764.db2.gz JRDREEFJWVPZEB-QMMMGPOBSA-N 1 0 218.260 -0.150 20 30 BBEDRO C#CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852895118 583022627 /nfs/dbraw/zinc/02/26/27/583022627.db2.gz XJNDYIMUEMHVEI-JTQLQIEISA-N 1 0 247.302 -0.044 20 30 BBEDRO C#CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000852895119 583022856 /nfs/dbraw/zinc/02/28/56/583022856.db2.gz XJNDYIMUEMHVEI-SNVBAGLBSA-N 1 0 247.302 -0.044 20 30 BBEDRO C=CCOCCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852907859 588712812 /nfs/dbraw/zinc/71/28/12/588712812.db2.gz PKSZWMQONQYLSG-SECBINFHSA-N 1 0 241.291 -0.201 20 30 BBEDRO C=CCOCCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852907862 588712807 /nfs/dbraw/zinc/71/28/07/588712807.db2.gz PKSZWMQONQYLSG-VIFPVBQESA-N 1 0 241.291 -0.201 20 30 BBEDRO C=CCOCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852915556 588713076 /nfs/dbraw/zinc/71/30/76/588713076.db2.gz IBQNJLRDDRWKHC-MRVPVSSYSA-N 1 0 227.264 -0.591 20 30 BBEDRO C=CCOCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852915557 588713168 /nfs/dbraw/zinc/71/31/68/588713168.db2.gz IBQNJLRDDRWKHC-QMMMGPOBSA-N 1 0 227.264 -0.591 20 30 BBEDRO C[C@]1(C#N)CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852917378 588713195 /nfs/dbraw/zinc/71/31/95/588713195.db2.gz ZZXFDXZYNSOGJZ-GZMMTYOYSA-N 1 0 236.275 -0.148 20 30 BBEDRO C[C@@]1(C#N)CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852917379 588713229 /nfs/dbraw/zinc/71/32/29/588713229.db2.gz ZZXFDXZYNSOGJZ-KCJUWKMLSA-N 1 0 236.275 -0.148 20 30 BBEDRO C[C@@]1(C#N)CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852917380 588713101 /nfs/dbraw/zinc/71/31/01/588713101.db2.gz ZZXFDXZYNSOGJZ-KWQFWETISA-N 1 0 236.275 -0.148 20 30 BBEDRO C[C@]1(C#N)CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852917381 588713061 /nfs/dbraw/zinc/71/30/61/588713061.db2.gz ZZXFDXZYNSOGJZ-LDYMZIIASA-N 1 0 236.275 -0.148 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000852922462 588713582 /nfs/dbraw/zinc/71/35/82/588713582.db2.gz CEVCAKLWLRWLPV-UHFFFAOYSA-N 1 0 235.287 -0.972 20 30 BBEDRO OCC#CC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853107939 588721165 /nfs/dbraw/zinc/72/11/65/588721165.db2.gz BOYUKSGIKVSLOQ-LLVKDONJSA-N 1 0 206.245 -0.300 20 30 BBEDRO OCC#CC[NH2+]C[C@H](O)c1ccccn1 ZINC000853107940 588719015 /nfs/dbraw/zinc/71/90/15/588719015.db2.gz BOYUKSGIKVSLOQ-NSHDSACASA-N 1 0 206.245 -0.300 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853109313 588721009 /nfs/dbraw/zinc/72/10/09/588721009.db2.gz HRMWYUUNMVSYEF-GXSJLCMTSA-N 1 0 206.245 -0.301 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccccn1 ZINC000853109314 588721101 /nfs/dbraw/zinc/72/11/01/588721101.db2.gz HRMWYUUNMVSYEF-KOLCDFICSA-N 1 0 206.245 -0.301 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853109315 588720983 /nfs/dbraw/zinc/72/09/83/588720983.db2.gz HRMWYUUNMVSYEF-MWLCHTKSSA-N 1 0 206.245 -0.301 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccccn1 ZINC000853110475 588721122 /nfs/dbraw/zinc/72/11/22/588721122.db2.gz HRMWYUUNMVSYEF-ONGXEEELSA-N 1 0 206.245 -0.301 20 30 BBEDRO C#C[C@H]([NH2+]CCC(N)=O)C1CCOCC1 ZINC000853116477 588721504 /nfs/dbraw/zinc/72/15/04/588721504.db2.gz VHALQFNKJYGPDC-JTQLQIEISA-N 1 0 210.277 -0.120 20 30 BBEDRO C#C[C@@H]([NH2+]CCC(N)=O)C1CCOCC1 ZINC000853116478 588721533 /nfs/dbraw/zinc/72/15/33/588721533.db2.gz VHALQFNKJYGPDC-SNVBAGLBSA-N 1 0 210.277 -0.120 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCN(C)C(=O)OC ZINC000853120308 588721664 /nfs/dbraw/zinc/72/16/64/588721664.db2.gz VRCAYIZDEHHZLE-UHFFFAOYSA-N 1 0 241.291 -0.586 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC000853129199 588721953 /nfs/dbraw/zinc/72/19/53/588721953.db2.gz GPXOARVMFZDVTD-MGCOHNPYSA-N 1 0 238.287 -0.333 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCOCCF ZINC000853133648 588722150 /nfs/dbraw/zinc/72/21/50/588722150.db2.gz MFUAIYRDOLFOPE-UHFFFAOYSA-N 1 0 216.256 -0.298 20 30 BBEDRO NC(=[NH2+])NN=Cc1cn(C2CCC2)nn1 ZINC000853287777 588730859 /nfs/dbraw/zinc/73/08/59/588730859.db2.gz TVGXZCAVCDHLKH-UHFFFAOYSA-N 1 0 207.241 -0.180 20 30 BBEDRO C=CCCn1cc(C=NNC(N)=[NH2+])nn1 ZINC000853287950 588730747 /nfs/dbraw/zinc/73/07/47/588730747.db2.gz ZPJWNNCRAIBQQW-UHFFFAOYSA-N 1 0 207.241 -0.329 20 30 BBEDRO CC(Cn1cncn1)=NNC1=[NH+][C@H](C)CN1 ZINC000853330471 588733666 /nfs/dbraw/zinc/73/36/66/588733666.db2.gz NGNPVMXGRLZQRN-SSDOTTSWSA-N 1 0 221.268 -0.409 20 30 BBEDRO CC(Cn1cncn1)=NNC1=[NH+][C@@H](C)CN1 ZINC000853330472 588733696 /nfs/dbraw/zinc/73/36/96/588733696.db2.gz NGNPVMXGRLZQRN-ZETCQYMHSA-N 1 0 221.268 -0.409 20 30 BBEDRO C(=NNC1=[NH+]CCN1)c1cnn2c1CCC2 ZINC000853357134 588737803 /nfs/dbraw/zinc/73/78/03/588737803.db2.gz BTMQQXIVQVZRCO-UHFFFAOYSA-N 1 0 218.264 -0.288 20 30 BBEDRO C(=NNC1=[NH+]CCN1)c1cc2n(n1)CCC2 ZINC000853357693 588737815 /nfs/dbraw/zinc/73/78/15/588737815.db2.gz JJPZSIWQPMSZHL-UHFFFAOYSA-N 1 0 218.264 -0.288 20 30 BBEDRO C=CCCn1cc(C=NNC2=[NH+]CCN2)nn1 ZINC000853357704 588737877 /nfs/dbraw/zinc/73/78/77/588737877.db2.gz JRULAMDXFIVVLW-UHFFFAOYSA-N 1 0 233.279 -0.263 20 30 BBEDRO Cc1ncc(C=NNC2=[NH+]CCN2)n1C ZINC000853357746 588737919 /nfs/dbraw/zinc/73/79/19/588737919.db2.gz KNJJJAKGCPVHDY-UHFFFAOYSA-N 1 0 206.253 -0.389 20 30 BBEDRO COc1cncc(C=NNC2=[NH+]CCN2)c1 ZINC000853357946 588738067 /nfs/dbraw/zinc/73/80/67/588738067.db2.gz OYJUZAHEVMRTJJ-UHFFFAOYSA-N 1 0 219.248 -0.027 20 30 BBEDRO C(=NNC1=[NH+]CCN1)c1cnc2n1CCC2 ZINC000853357999 588738097 /nfs/dbraw/zinc/73/80/97/588738097.db2.gz QZGGLHAULBFDRT-UHFFFAOYSA-N 1 0 218.264 -0.288 20 30 BBEDRO Cc1nc(C=NNC2=[NH+]CCN2)[nH]c1C ZINC000853358039 588737985 /nfs/dbraw/zinc/73/79/85/588737985.db2.gz RYYIYUFZOYKKBW-UHFFFAOYSA-N 1 0 206.253 -0.091 20 30 BBEDRO CC(C)(C)n1nnc(C=NNC2=[NH+]CCN2)n1 ZINC000853358136 588737929 /nfs/dbraw/zinc/73/79/29/588737929.db2.gz VDHKEAUWYJIZSI-UHFFFAOYSA-N 1 0 236.283 -0.689 20 30 BBEDRO C(=NNC1=[NH+]CCN1)c1cn(C2CCC2)nn1 ZINC000853358220 588737860 /nfs/dbraw/zinc/73/78/60/588737860.db2.gz XBZPFEYQPIRQFF-UHFFFAOYSA-N 1 0 233.279 -0.114 20 30 BBEDRO c1cc2n(n1)CCCC2=NNC1=[NH+]CCN1 ZINC000853358292 588737844 /nfs/dbraw/zinc/73/78/44/588737844.db2.gz ZNSLCYJWMVICIM-UHFFFAOYSA-N 1 0 218.264 -0.070 20 30 BBEDRO C#CC[N@@H+](C)CCCN=c1nc[nH]n1C ZINC000853647011 588752168 /nfs/dbraw/zinc/75/21/68/588752168.db2.gz KJGNOKNLCKAWSW-UHFFFAOYSA-N 1 0 207.281 -0.396 20 30 BBEDRO C#C[C@@H](CC)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000854075412 588773503 /nfs/dbraw/zinc/77/35/03/588773503.db2.gz OTJZZEDWACAPBO-CMPLNLGQSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#C[C@@H](CC)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000854075421 588773630 /nfs/dbraw/zinc/77/36/30/588773630.db2.gz OTJZZEDWACAPBO-JQWIXIFHSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#C[C@H](CC)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000854075423 588773678 /nfs/dbraw/zinc/77/36/78/588773678.db2.gz OTJZZEDWACAPBO-PWSUYJOCSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#C[C@H](CC)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000854075426 588773535 /nfs/dbraw/zinc/77/35/35/588773535.db2.gz OTJZZEDWACAPBO-ZYHUDNBSSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](O)C1 ZINC000854091659 588774717 /nfs/dbraw/zinc/77/47/17/588774717.db2.gz DKLMMDSOCASWGP-XYPYZODXSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)NC/C=C\CO ZINC000854094672 588774733 /nfs/dbraw/zinc/77/47/33/588774733.db2.gz ZZRJQKOHGKTDKI-PLNGDYQASA-N 1 0 239.319 -0.211 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)NC/C=C/CO ZINC000854094673 588774657 /nfs/dbraw/zinc/77/46/57/588774657.db2.gz ZZRJQKOHGKTDKI-SNAWJCMRSA-N 1 0 239.319 -0.211 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000854296139 588783024 /nfs/dbraw/zinc/78/30/24/588783024.db2.gz HJVWQHXXLWGBNK-LLVKDONJSA-N 1 0 241.335 -0.761 20 30 BBEDRO C=C[C@H](O)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000854296140 588782953 /nfs/dbraw/zinc/78/29/53/588782953.db2.gz HJVWQHXXLWGBNK-NSHDSACASA-N 1 0 241.335 -0.761 20 30 BBEDRO C=C(CO)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854352638 588784968 /nfs/dbraw/zinc/78/49/68/588784968.db2.gz HCAASBKQHRPLQA-LLVKDONJSA-N 1 0 239.319 -0.959 20 30 BBEDRO C=C(CO)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854352639 588784816 /nfs/dbraw/zinc/78/48/16/588784816.db2.gz HCAASBKQHRPLQA-NSHDSACASA-N 1 0 239.319 -0.959 20 30 BBEDRO CC#CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854352890 588784862 /nfs/dbraw/zinc/78/48/62/588784862.db2.gz MHJGPMMJTVTYQB-LLVKDONJSA-N 1 0 221.304 -0.484 20 30 BBEDRO CC#CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854352891 588785019 /nfs/dbraw/zinc/78/50/19/588785019.db2.gz MHJGPMMJTVTYQB-NSHDSACASA-N 1 0 221.304 -0.484 20 30 BBEDRO O=C(C#CC1CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854354988 588784879 /nfs/dbraw/zinc/78/48/79/588784879.db2.gz WPWYOSMQXYCUNY-CYBMUJFWSA-N 1 0 247.342 -0.094 20 30 BBEDRO O=C(C#CC1CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854354989 588784983 /nfs/dbraw/zinc/78/49/83/588784983.db2.gz WPWYOSMQXYCUNY-ZDUSSCGKSA-N 1 0 247.342 -0.094 20 30 BBEDRO C=C(CO)C(=O)NOC1CC[NH+](C)CC1 ZINC000854358420 588785311 /nfs/dbraw/zinc/78/53/11/588785311.db2.gz XLCJYHINORWIDN-UHFFFAOYSA-N 1 0 214.265 -0.323 20 30 BBEDRO C#Cc1cncc(C(=O)N[C@@H](CO)C[NH+](C)C)c1 ZINC000854463737 588788480 /nfs/dbraw/zinc/78/84/80/588788480.db2.gz FRIICOQRRIAZQA-GFCCVEGCSA-N 1 0 247.298 -0.285 20 30 BBEDRO C#Cc1cncc(C(=O)N[C@H](CO)C[NH+](C)C)c1 ZINC000854463738 588788478 /nfs/dbraw/zinc/78/84/78/588788478.db2.gz FRIICOQRRIAZQA-LBPRGKRZSA-N 1 0 247.298 -0.285 20 30 BBEDRO C#CCO[C@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854463755 588788615 /nfs/dbraw/zinc/78/86/15/588788615.db2.gz FYHNIMUXKQUNDS-NXEZZACHSA-N 1 0 228.292 -0.937 20 30 BBEDRO C#CCO[C@@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000854463757 588788594 /nfs/dbraw/zinc/78/85/94/588788594.db2.gz FYHNIMUXKQUNDS-UWVGGRQHSA-N 1 0 228.292 -0.937 20 30 BBEDRO C#CCO[C@@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854463758 588788462 /nfs/dbraw/zinc/78/84/62/588788462.db2.gz FYHNIMUXKQUNDS-VHSXEESVSA-N 1 0 228.292 -0.937 20 30 BBEDRO C#CCO[C@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000854463760 588788530 /nfs/dbraw/zinc/78/85/30/588788530.db2.gz FYHNIMUXKQUNDS-ZJUUUORDSA-N 1 0 228.292 -0.937 20 30 BBEDRO C#Cc1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)nc1 ZINC000854466304 588788704 /nfs/dbraw/zinc/78/87/04/588788704.db2.gz AEGRIPAXMXLKOB-LLVKDONJSA-N 1 0 247.298 -0.285 20 30 BBEDRO C#Cc1ccc(C(=O)N[C@H](CO)C[NH+](C)C)nc1 ZINC000854466305 588788689 /nfs/dbraw/zinc/78/86/89/588788689.db2.gz AEGRIPAXMXLKOB-NSHDSACASA-N 1 0 247.298 -0.285 20 30 BBEDRO C#Cc1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cn1 ZINC000854466758 588788708 /nfs/dbraw/zinc/78/87/08/588788708.db2.gz KAXFEXWUUYKOGX-GFCCVEGCSA-N 1 0 247.298 -0.285 20 30 BBEDRO C#Cc1ccc(C(=O)N[C@H](CO)C[NH+](C)C)cn1 ZINC000854466759 588788698 /nfs/dbraw/zinc/78/86/98/588788698.db2.gz KAXFEXWUUYKOGX-LBPRGKRZSA-N 1 0 247.298 -0.285 20 30 BBEDRO C#CCOCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000854466940 588788814 /nfs/dbraw/zinc/78/88/14/588788814.db2.gz OHRMDEKCLMDHMU-JTQLQIEISA-N 1 0 228.292 -0.935 20 30 BBEDRO C#CCOCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000854466941 588788951 /nfs/dbraw/zinc/78/89/51/588788951.db2.gz OHRMDEKCLMDHMU-SNVBAGLBSA-N 1 0 228.292 -0.935 20 30 BBEDRO CC(C)C#CC(=O)N[C@H](CO)C[NH+](C)C ZINC000854467972 588788812 /nfs/dbraw/zinc/78/88/12/588788812.db2.gz NDQWLKSRDYEUOL-JTQLQIEISA-N 1 0 212.293 -0.316 20 30 BBEDRO CC(C)C#CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000854467973 588788821 /nfs/dbraw/zinc/78/88/21/588788821.db2.gz NDQWLKSRDYEUOL-SNVBAGLBSA-N 1 0 212.293 -0.316 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)C#CC1CC1 ZINC000854468907 588788659 /nfs/dbraw/zinc/78/86/59/588788659.db2.gz VJRTWTYPXZQMKS-JTQLQIEISA-N 1 0 210.277 -0.562 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)C#CC1CC1 ZINC000854468908 588789140 /nfs/dbraw/zinc/78/91/40/588789140.db2.gz VJRTWTYPXZQMKS-SNVBAGLBSA-N 1 0 210.277 -0.562 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000854489552 588789316 /nfs/dbraw/zinc/78/93/16/588789316.db2.gz MZFXWTYXCJBOKP-LLVKDONJSA-N 1 0 243.351 -0.467 20 30 BBEDRO C=C[C@H](O)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000854489553 588789203 /nfs/dbraw/zinc/78/92/03/588789203.db2.gz MZFXWTYXCJBOKP-NSHDSACASA-N 1 0 243.351 -0.467 20 30 BBEDRO C=C[C@H](O)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000854527363 583087019 /nfs/dbraw/zinc/08/70/19/583087019.db2.gz NDSDDZQPOCDVCK-VWYCJHECSA-N 1 0 224.304 -0.057 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000854541112 588792167 /nfs/dbraw/zinc/79/21/67/588792167.db2.gz CMZBDLFLYHUNBM-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000854541114 588792184 /nfs/dbraw/zinc/79/21/84/588792184.db2.gz CMZBDLFLYHUNBM-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000854541540 588790027 /nfs/dbraw/zinc/79/00/27/588790027.db2.gz HKISADXEPROJKA-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000854541541 588789992 /nfs/dbraw/zinc/78/99/92/588789992.db2.gz HKISADXEPROJKA-WDEREUQCSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C(=C)C[NH+](C)C ZINC000854541944 588792176 /nfs/dbraw/zinc/79/21/76/588792176.db2.gz KBZCZHQUNSWPHO-JTQLQIEISA-N 1 0 210.277 -0.395 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C(=C)C[NH+](C)C ZINC000854541946 588792228 /nfs/dbraw/zinc/79/22/28/588792228.db2.gz KBZCZHQUNSWPHO-SNVBAGLBSA-N 1 0 210.277 -0.395 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000854542389 588792468 /nfs/dbraw/zinc/79/24/68/588792468.db2.gz QKXMSXLYNUFYOR-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000854542390 588792463 /nfs/dbraw/zinc/79/24/63/588792463.db2.gz QKXMSXLYNUFYOR-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000854542391 588792496 /nfs/dbraw/zinc/79/24/96/588792496.db2.gz QKXMSXLYNUFYOR-QWRGUYRKSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000854542392 588792408 /nfs/dbraw/zinc/79/24/08/588792408.db2.gz QKXMSXLYNUFYOR-WDEREUQCSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC000854545831 588792864 /nfs/dbraw/zinc/79/28/64/588792864.db2.gz RAGBPCASCUQGMW-NXEZZACHSA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000854545832 588792732 /nfs/dbraw/zinc/79/27/32/588792732.db2.gz RAGBPCASCUQGMW-UWVGGRQHSA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC000854545833 588792875 /nfs/dbraw/zinc/79/28/75/588792875.db2.gz RAGBPCASCUQGMW-VHSXEESVSA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CC[C@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000854545834 588792858 /nfs/dbraw/zinc/79/28/58/588792858.db2.gz RAGBPCASCUQGMW-ZJUUUORDSA-N 1 0 212.293 -0.173 20 30 BBEDRO C#CC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000854545859 588792799 /nfs/dbraw/zinc/79/27/99/588792799.db2.gz ROQHORGFBRJABS-NXEZZACHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000854545861 588792677 /nfs/dbraw/zinc/79/26/77/588792677.db2.gz ROQHORGFBRJABS-VHSXEESVSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000854547613 588793119 /nfs/dbraw/zinc/79/31/19/588793119.db2.gz WZYREXMZDKEYLH-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000854547615 588793100 /nfs/dbraw/zinc/79/31/00/588793100.db2.gz WZYREXMZDKEYLH-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000854549047 588793156 /nfs/dbraw/zinc/79/31/56/588793156.db2.gz KURSFMXKPVVCNW-SECBINFHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000854549048 588793129 /nfs/dbraw/zinc/79/31/29/588793129.db2.gz KURSFMXKPVVCNW-VIFPVBQESA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000854550614 588793343 /nfs/dbraw/zinc/79/33/43/588793343.db2.gz WKXFUUALKBDKLO-GMTAPVOTSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000854550615 588793391 /nfs/dbraw/zinc/79/33/91/588793391.db2.gz WKXFUUALKBDKLO-OUAUKWLOSA-N 1 0 224.304 -0.173 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COC(=O)C1 ZINC000854555625 588794281 /nfs/dbraw/zinc/79/42/81/588794281.db2.gz UFCCHBJJUOXSRR-QMMMGPOBSA-N 1 0 212.249 -0.464 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1COC(=O)C1 ZINC000854556013 588794206 /nfs/dbraw/zinc/79/42/06/588794206.db2.gz FXCKBYJPLZNQDG-UWVGGRQHSA-N 1 0 236.271 -0.484 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)Nn1cnn(CC)c1=O ZINC000854628523 588797937 /nfs/dbraw/zinc/79/79/37/588797937.db2.gz NKLRGTUFWWOQOY-UHFFFAOYSA-N 1 0 239.279 -0.747 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)Cc1cnnn1C ZINC000854662452 588800115 /nfs/dbraw/zinc/80/01/15/588800115.db2.gz BAXXBFCBSKCNNM-UHFFFAOYSA-N 1 0 249.318 -0.571 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)C[C@H]1CC(=O)N1 ZINC000854662499 588800203 /nfs/dbraw/zinc/80/02/03/588800203.db2.gz COINYNXQUKAANC-JTQLQIEISA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)C[C@@H]1CC(=O)N1 ZINC000854662500 588800052 /nfs/dbraw/zinc/80/00/52/588800052.db2.gz COINYNXQUKAANC-SNVBAGLBSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)Cc1nnc(C)[nH]1 ZINC000854662695 588800122 /nfs/dbraw/zinc/80/01/22/588800122.db2.gz JHASJBBBZBTGKC-UHFFFAOYSA-N 1 0 249.318 -0.273 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@](C)(O)C=C ZINC000854662837 588800110 /nfs/dbraw/zinc/80/01/10/588800110.db2.gz OEUPIMIKUUSELI-GFCCVEGCSA-N 1 0 224.304 -0.005 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@](C)(O)C=C ZINC000854662838 588800179 /nfs/dbraw/zinc/80/01/79/588800179.db2.gz OEUPIMIKUUSELI-LBPRGKRZSA-N 1 0 224.304 -0.005 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCNC1=O ZINC000854662895 588799926 /nfs/dbraw/zinc/79/99/26/588799926.db2.gz PQWJFKWFGBJEKI-JTQLQIEISA-N 1 0 237.303 -0.806 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCNC1=O ZINC000854662896 588800138 /nfs/dbraw/zinc/80/01/38/588800138.db2.gz PQWJFKWFGBJEKI-SNVBAGLBSA-N 1 0 237.303 -0.806 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)c1cn[nH]c(=O)c1 ZINC000854664001 588799918 /nfs/dbraw/zinc/79/99/18/588799918.db2.gz KGGWSVGGELLZTL-UHFFFAOYSA-N 1 0 248.286 -0.133 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H](O)C=C ZINC000854664159 588799952 /nfs/dbraw/zinc/79/99/52/588799952.db2.gz OENZRCPSFLAUEU-JTQLQIEISA-N 1 0 210.277 -0.395 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H](O)C=C ZINC000854664160 588800129 /nfs/dbraw/zinc/80/01/29/588800129.db2.gz OENZRCPSFLAUEU-SNVBAGLBSA-N 1 0 210.277 -0.395 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H](O)C1CC1 ZINC000854664562 588799947 /nfs/dbraw/zinc/79/99/47/588799947.db2.gz WVFDZUVCLYTBSK-LLVKDONJSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H](O)C1CC1 ZINC000854664563 588799974 /nfs/dbraw/zinc/79/99/74/588799974.db2.gz WVFDZUVCLYTBSK-NSHDSACASA-N 1 0 224.304 -0.171 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCOCCN1 ZINC000854694673 588802338 /nfs/dbraw/zinc/80/23/38/588802338.db2.gz RAKGWXSTNCZDSX-UHFFFAOYSA-N 1 0 213.281 -0.532 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000854768831 588806529 /nfs/dbraw/zinc/80/65/29/588806529.db2.gz ZCMSOPXGQSMCJT-NXEZZACHSA-N 1 0 212.293 -0.317 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000854768832 588806632 /nfs/dbraw/zinc/80/66/32/588806632.db2.gz ZCMSOPXGQSMCJT-UWVGGRQHSA-N 1 0 212.293 -0.317 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000854768833 588806500 /nfs/dbraw/zinc/80/65/00/588806500.db2.gz ZCMSOPXGQSMCJT-VHSXEESVSA-N 1 0 212.293 -0.317 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000854768834 588806518 /nfs/dbraw/zinc/80/65/18/588806518.db2.gz ZCMSOPXGQSMCJT-ZJUUUORDSA-N 1 0 212.293 -0.317 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C#C)CO)CC1 ZINC000854769542 645511439 /nfs/dbraw/zinc/51/14/39/645511439.db2.gz OFRHEABFHKQQBN-LBPRGKRZSA-N 1 0 234.299 -0.558 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000854769691 645510840 /nfs/dbraw/zinc/51/08/40/645510840.db2.gz RXZWAEJDXZKXLA-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000854769692 645511133 /nfs/dbraw/zinc/51/11/33/645511133.db2.gz RXZWAEJDXZKXLA-MNOVXSKESA-N 1 0 224.304 -0.029 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000854769693 645511656 /nfs/dbraw/zinc/51/16/56/645511656.db2.gz RXZWAEJDXZKXLA-QWRGUYRKSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000854769694 645511752 /nfs/dbraw/zinc/51/17/52/645511752.db2.gz RXZWAEJDXZKXLA-WDEREUQCSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000854770088 588806641 /nfs/dbraw/zinc/80/66/41/588806641.db2.gz ADYXTSLSDRGJQY-AXFHLTTASA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000854770089 588806752 /nfs/dbraw/zinc/80/67/52/588806752.db2.gz ADYXTSLSDRGJQY-GARJFASQSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000854770090 588806711 /nfs/dbraw/zinc/80/67/11/588806711.db2.gz ADYXTSLSDRGJQY-GMTAPVOTSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000854770091 588806756 /nfs/dbraw/zinc/80/67/56/588806756.db2.gz ADYXTSLSDRGJQY-OUAUKWLOSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@@H](CO)NC(=O)CCCC[NH+](C)C ZINC000854770871 588806798 /nfs/dbraw/zinc/80/67/98/588806798.db2.gz PVAJXVWEYQUQFV-JTQLQIEISA-N 1 0 212.293 -0.171 20 30 BBEDRO C#C[C@H](CO)NC(=O)CCCC[NH+](C)C ZINC000854770872 588806734 /nfs/dbraw/zinc/80/67/34/588806734.db2.gz PVAJXVWEYQUQFV-SNVBAGLBSA-N 1 0 212.293 -0.171 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000854771002 588806839 /nfs/dbraw/zinc/80/68/39/588806839.db2.gz SFXIORSPTMAQAC-NXEZZACHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000854771003 588805880 /nfs/dbraw/zinc/80/58/80/588805880.db2.gz SFXIORSPTMAQAC-VHSXEESVSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000854772071 588807109 /nfs/dbraw/zinc/80/71/09/588807109.db2.gz OROAVCIMWYUPKZ-NXEZZACHSA-N 1 0 242.344 -0.466 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000854772072 588807105 /nfs/dbraw/zinc/80/71/05/588807105.db2.gz OROAVCIMWYUPKZ-UWVGGRQHSA-N 1 0 242.344 -0.466 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000854772073 588807222 /nfs/dbraw/zinc/80/72/22/588807222.db2.gz OROAVCIMWYUPKZ-VHSXEESVSA-N 1 0 242.344 -0.466 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000854772074 588807143 /nfs/dbraw/zinc/80/71/43/588807143.db2.gz OROAVCIMWYUPKZ-ZJUUUORDSA-N 1 0 242.344 -0.466 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000854772181 588807283 /nfs/dbraw/zinc/80/72/83/588807283.db2.gz RJELKVRTLVTPLR-GHMZBOCLSA-N 1 0 240.303 -0.935 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000854772182 588807289 /nfs/dbraw/zinc/80/72/89/588807289.db2.gz RJELKVRTLVTPLR-MNOVXSKESA-N 1 0 240.303 -0.935 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000854772183 588807117 /nfs/dbraw/zinc/80/71/17/588807117.db2.gz RJELKVRTLVTPLR-QWRGUYRKSA-N 1 0 240.303 -0.935 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000854772184 588807153 /nfs/dbraw/zinc/80/71/53/588807153.db2.gz RJELKVRTLVTPLR-WDEREUQCSA-N 1 0 240.303 -0.935 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000854772275 588807131 /nfs/dbraw/zinc/80/71/31/588807131.db2.gz SYYDMJBKFPAYMI-SECBINFHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000854772276 588807256 /nfs/dbraw/zinc/80/72/56/588807256.db2.gz SYYDMJBKFPAYMI-VIFPVBQESA-N 1 0 210.277 -0.419 20 30 BBEDRO C#C[C@H](CO)NC(=O)c1c[nH+]ccc1N(C)C ZINC000854773092 588807365 /nfs/dbraw/zinc/80/73/65/588807365.db2.gz FNKYJRLUSVQRHV-SECBINFHSA-N 1 0 233.271 -0.129 20 30 BBEDRO C#C[C@@H](CO)NC(=O)c1c[nH+]ccc1N(C)C ZINC000854773093 588807464 /nfs/dbraw/zinc/80/74/64/588807464.db2.gz FNKYJRLUSVQRHV-VIFPVBQESA-N 1 0 233.271 -0.129 20 30 BBEDRO C#C[C@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000854773730 588807478 /nfs/dbraw/zinc/80/74/78/588807478.db2.gz LXQHHXDECUIQDB-LLVKDONJSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#C[C@@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000854773732 588807412 /nfs/dbraw/zinc/80/74/12/588807412.db2.gz LXQHHXDECUIQDB-NSHDSACASA-N 1 0 224.304 -0.171 20 30 BBEDRO C#C[C@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000854774269 588807640 /nfs/dbraw/zinc/80/76/40/588807640.db2.gz XCPATACHLKNWOA-SECBINFHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000854774270 588807540 /nfs/dbraw/zinc/80/75/40/588807540.db2.gz XCPATACHLKNWOA-VIFPVBQESA-N 1 0 210.277 -0.419 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[NH+]1CCC(C)CC1 ZINC000854774305 588807615 /nfs/dbraw/zinc/80/76/15/588807615.db2.gz YFPYWQVOQWZUIX-LLVKDONJSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C[NH+]1CCC(C)CC1 ZINC000854774306 588807629 /nfs/dbraw/zinc/80/76/29/588807629.db2.gz YFPYWQVOQWZUIX-NSHDSACASA-N 1 0 224.304 -0.171 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000854775103 588807859 /nfs/dbraw/zinc/80/78/59/588807859.db2.gz DSZZVHANNUPPBJ-GXSJLCMTSA-N 1 0 222.288 -0.277 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000854775104 588807725 /nfs/dbraw/zinc/80/77/25/588807725.db2.gz DSZZVHANNUPPBJ-KOLCDFICSA-N 1 0 222.288 -0.277 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000854775105 588807896 /nfs/dbraw/zinc/80/78/96/588807896.db2.gz DSZZVHANNUPPBJ-MWLCHTKSSA-N 1 0 222.288 -0.277 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000854775106 588807784 /nfs/dbraw/zinc/80/77/84/588807784.db2.gz DSZZVHANNUPPBJ-ONGXEEELSA-N 1 0 222.288 -0.277 20 30 BBEDRO C#C[C@H](CO)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000854775175 588807806 /nfs/dbraw/zinc/80/78/06/588807806.db2.gz FWBSGZWDXHJNBR-LLVKDONJSA-N 1 0 247.298 -0.133 20 30 BBEDRO C#C[C@@H](CO)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000854775176 588807823 /nfs/dbraw/zinc/80/78/23/588807823.db2.gz FWBSGZWDXHJNBR-NSHDSACASA-N 1 0 247.298 -0.133 20 30 BBEDRO C#C[C@H](CO)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000854775377 588807742 /nfs/dbraw/zinc/80/77/42/588807742.db2.gz JMWKBMKSDBXVQJ-LLVKDONJSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000854775378 588807849 /nfs/dbraw/zinc/80/78/49/588807849.db2.gz JMWKBMKSDBXVQJ-NSHDSACASA-N 1 0 236.315 -0.029 20 30 BBEDRO C#C[C@H](CO)NC(=O)CCc1ncc[nH]1 ZINC000854775383 583093281 /nfs/dbraw/zinc/09/32/81/583093281.db2.gz JPTGFMZNFSRDTD-MRVPVSSYSA-N 1 0 207.233 -0.547 20 30 BBEDRO C#C[C@@H](CO)NC(=O)CCc1ncc[nH]1 ZINC000854775384 583093092 /nfs/dbraw/zinc/09/30/92/583093092.db2.gz JPTGFMZNFSRDTD-QMMMGPOBSA-N 1 0 207.233 -0.547 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000854775601 588807935 /nfs/dbraw/zinc/80/79/35/588807935.db2.gz OJLHVKIVEHFMGF-DCAQKATOSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000854775602 588807891 /nfs/dbraw/zinc/80/78/91/588807891.db2.gz OJLHVKIVEHFMGF-GARJFASQSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000854776687 588808273 /nfs/dbraw/zinc/80/82/73/588808273.db2.gz MFMWUMPDNIGLQW-NXEZZACHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000854776688 588808196 /nfs/dbraw/zinc/80/81/96/588808196.db2.gz MFMWUMPDNIGLQW-UWVGGRQHSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000854776689 588808370 /nfs/dbraw/zinc/80/83/70/588808370.db2.gz MFMWUMPDNIGLQW-VHSXEESVSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000854776690 588808208 /nfs/dbraw/zinc/80/82/08/588808208.db2.gz MFMWUMPDNIGLQW-ZJUUUORDSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000854778333 583093791 /nfs/dbraw/zinc/09/37/91/583093791.db2.gz CNEDFVKKTPUIEH-KXUCPTDWSA-N 1 0 210.277 -0.563 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000854778339 583093820 /nfs/dbraw/zinc/09/38/20/583093820.db2.gz CNEDFVKKTPUIEH-OPRDCNLKSA-N 1 0 210.277 -0.563 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000854778624 588808681 /nfs/dbraw/zinc/80/86/81/588808681.db2.gz YVHONYMXXXZRSO-IVZWLZJFSA-N 1 0 233.271 -0.366 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000854778625 588808804 /nfs/dbraw/zinc/80/88/04/588808804.db2.gz YVHONYMXXXZRSO-OPRDCNLKSA-N 1 0 233.271 -0.366 20 30 BBEDRO C=C[C@H](O)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000854851749 588813441 /nfs/dbraw/zinc/81/34/41/588813441.db2.gz SKMAGUONESFBPC-JTQLQIEISA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@@H](O)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000854851752 588813290 /nfs/dbraw/zinc/81/32/90/588813290.db2.gz SKMAGUONESFBPC-SNVBAGLBSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(OC)CC1 ZINC000854856608 588813911 /nfs/dbraw/zinc/81/39/11/588813911.db2.gz MPHJCEZQYZZXNX-UHFFFAOYSA-N 1 0 227.308 -0.190 20 30 BBEDRO C[NH+](C)C1(C(=O)N[C@H](C#N)CO)CCC1 ZINC000854870083 588814583 /nfs/dbraw/zinc/81/45/83/588814583.db2.gz AWUHAQBUFRVLHW-MRVPVSSYSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[NH+](C)C1(C(=O)N[C@@H](C#N)CO)CCC1 ZINC000854870084 588814653 /nfs/dbraw/zinc/81/46/53/588814653.db2.gz AWUHAQBUFRVLHW-QMMMGPOBSA-N 1 0 211.265 -0.529 20 30 BBEDRO C#CC[C@@H](NC(=O)C1([NH+](C)C)CC1)C(=O)OC ZINC000854910370 645515266 /nfs/dbraw/zinc/51/52/66/645515266.db2.gz UYGMRURQJBKNLZ-SECBINFHSA-N 1 0 238.287 -0.238 20 30 BBEDRO C#CC[C@H](NC(=O)C1([NH+](C)C)CC1)C(=O)OC ZINC000854910371 645515605 /nfs/dbraw/zinc/51/56/05/645515605.db2.gz UYGMRURQJBKNLZ-VIFPVBQESA-N 1 0 238.287 -0.238 20 30 BBEDRO C=C[C@](C)(O)CC(=O)NOCC[NH+](C)C ZINC000854944950 588817750 /nfs/dbraw/zinc/81/77/50/588817750.db2.gz DALPZQPEDZORFV-JTQLQIEISA-N 1 0 216.281 -0.077 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)NOCC[NH+](C)C ZINC000854944951 588817724 /nfs/dbraw/zinc/81/77/24/588817724.db2.gz DALPZQPEDZORFV-SNVBAGLBSA-N 1 0 216.281 -0.077 20 30 BBEDRO C=C(CO)C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000854981229 588819554 /nfs/dbraw/zinc/81/95/54/588819554.db2.gz MDYQAEYLXQGKMW-LLVKDONJSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=C(CO)C(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000854981230 588819641 /nfs/dbraw/zinc/81/96/41/588819641.db2.gz MDYQAEYLXQGKMW-NSHDSACASA-N 1 0 242.319 -0.238 20 30 BBEDRO CC(C)C#CC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000855006384 645517712 /nfs/dbraw/zinc/51/77/12/645517712.db2.gz DNRXCOXQBUDYSV-GFCCVEGCSA-N 1 0 236.315 -0.077 20 30 BBEDRO C=C(CO)C(=O)NCCN(C)CCC[NH+](C)C ZINC000855414400 588831966 /nfs/dbraw/zinc/83/19/66/588831966.db2.gz CTKLOGMVYGAGHD-UHFFFAOYSA-N 1 0 243.351 -0.465 20 30 BBEDRO CON=CC(=O)NCCN(C)CCC[NH+](C)C ZINC000855415186 588832085 /nfs/dbraw/zinc/83/20/85/588832085.db2.gz TVWNKGZQYJJHRX-UHFFFAOYSA-N 1 0 244.339 -0.382 20 30 BBEDRO C=C(CO)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855416055 588832132 /nfs/dbraw/zinc/83/21/32/588832132.db2.gz SLPCRCDRHBCEIH-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(CO)C(=O)NCC[C@H](C)[NH+](C)C ZINC000855416056 588831983 /nfs/dbraw/zinc/83/19/83/588831983.db2.gz SLPCRCDRHBCEIH-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C#CC(=O)NCCN(C)CCC[NH+](C)C ZINC000855416600 588832069 /nfs/dbraw/zinc/83/20/69/588832069.db2.gz PEEYUOPGZDKUKG-UHFFFAOYSA-N 1 0 211.309 -0.381 20 30 BBEDRO C#CCONC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000855605905 588841356 /nfs/dbraw/zinc/84/13/56/588841356.db2.gz BNZKMELWAZVHDS-UHFFFAOYSA-N 1 0 236.275 -0.261 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCOC(=O)N(C)C ZINC000855647049 588843330 /nfs/dbraw/zinc/84/33/30/588843330.db2.gz PWWHHZQUZHODJC-UHFFFAOYSA-N 1 0 243.307 -0.081 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1COCCO1 ZINC000855682661 588844944 /nfs/dbraw/zinc/84/49/44/588844944.db2.gz QYTUOEIDTFIPDF-LLVKDONJSA-N 1 0 242.319 -0.022 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1COCCO1 ZINC000855682662 588844963 /nfs/dbraw/zinc/84/49/63/588844963.db2.gz QYTUOEIDTFIPDF-NSHDSACASA-N 1 0 242.319 -0.022 20 30 BBEDRO C#CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855694929 588845320 /nfs/dbraw/zinc/84/53/20/588845320.db2.gz DOOGAGWPDNTWIB-UHFFFAOYSA-N 1 0 225.292 -0.902 20 30 BBEDRO CC#CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855698140 588845506 /nfs/dbraw/zinc/84/55/06/588845506.db2.gz LNBZIIMEZUMJRG-UHFFFAOYSA-N 1 0 239.319 -0.512 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)CC ZINC000855744551 588846741 /nfs/dbraw/zinc/84/67/41/588846741.db2.gz NIHIZCBINSEASC-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCC(=O)N(C)CC1 ZINC000855916026 588853634 /nfs/dbraw/zinc/85/36/34/588853634.db2.gz LPNKLQCBCQDOPC-UHFFFAOYSA-N 1 0 239.319 -0.205 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC(=O)N1 ZINC000855932184 588854425 /nfs/dbraw/zinc/85/44/25/588854425.db2.gz BSEVOAGRCXAHLK-VIFPVBQESA-N 1 0 225.292 -0.501 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCN(C)C(=O)OC ZINC000855943287 588854995 /nfs/dbraw/zinc/85/49/95/588854995.db2.gz MTUMKDHZABNZQC-UHFFFAOYSA-N 1 0 243.307 -0.081 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](O)C2)CC1 ZINC000856394565 588871401 /nfs/dbraw/zinc/87/14/01/588871401.db2.gz MWSSDRJEJRNAJK-HAQNSBGRSA-N 1 0 236.315 -0.029 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000856489947 588873851 /nfs/dbraw/zinc/87/38/51/588873851.db2.gz RUKIFQPQPROUFT-NXEZZACHSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000856489948 588873994 /nfs/dbraw/zinc/87/39/94/588873994.db2.gz RUKIFQPQPROUFT-UWVGGRQHSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000856489949 588873746 /nfs/dbraw/zinc/87/37/46/588873746.db2.gz RUKIFQPQPROUFT-VHSXEESVSA-N 1 0 212.293 -0.010 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000856489950 588873200 /nfs/dbraw/zinc/87/32/00/588873200.db2.gz RUKIFQPQPROUFT-ZJUUUORDSA-N 1 0 212.293 -0.010 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000856743463 588875886 /nfs/dbraw/zinc/87/58/86/588875886.db2.gz LSPNTFGRFNKGNX-JTQLQIEISA-N 1 0 210.277 -0.167 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000856743464 588875737 /nfs/dbraw/zinc/87/57/37/588875737.db2.gz LSPNTFGRFNKGNX-SNVBAGLBSA-N 1 0 210.277 -0.167 20 30 BBEDRO C#C[C@](C)(CC)[NH2+]CCS(=O)(=O)NC ZINC000856745880 588875801 /nfs/dbraw/zinc/87/58/01/588875801.db2.gz ZRWOEYFGCBXIIB-SECBINFHSA-N 1 0 218.322 -0.073 20 30 BBEDRO C#C[C@@](C)(CC)[NH2+]CCS(=O)(=O)NC ZINC000856745881 588875875 /nfs/dbraw/zinc/87/58/75/588875875.db2.gz ZRWOEYFGCBXIIB-VIFPVBQESA-N 1 0 218.322 -0.073 20 30 BBEDRO C#CC1CC[NH+](CCS(=O)(=O)NC)CC1 ZINC000856752328 588876060 /nfs/dbraw/zinc/87/60/60/588876060.db2.gz PZOORMWPIQMUKH-UHFFFAOYSA-N 1 0 230.333 -0.119 20 30 BBEDRO C#C[C@H]1CCC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000856756121 588875955 /nfs/dbraw/zinc/87/59/55/588875955.db2.gz JZNLKNSKPBTRCD-JTQLQIEISA-N 1 0 230.333 -0.119 20 30 BBEDRO C#C[C@@H]1CCC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000856756122 588875949 /nfs/dbraw/zinc/87/59/49/588875949.db2.gz JZNLKNSKPBTRCD-SNVBAGLBSA-N 1 0 230.333 -0.119 20 30 BBEDRO C#CCOCCNC(=O)NCC[C@H](C)[NH3+] ZINC000857102167 588887894 /nfs/dbraw/zinc/88/78/94/588887894.db2.gz SOYHUSWWZUYRDJ-VIFPVBQESA-N 1 0 213.281 -0.327 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NCC[C@H](C)[NH3+] ZINC000857107507 588888679 /nfs/dbraw/zinc/88/86/79/588888679.db2.gz XFJYRODQKFTASW-UWVGGRQHSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NCC[C@H](C)[NH3+] ZINC000857107508 588888733 /nfs/dbraw/zinc/88/87/33/588888733.db2.gz XFJYRODQKFTASW-VHSXEESVSA-N 1 0 225.292 -0.233 20 30 BBEDRO C=CC[C@H](CO)NC(=O)NCC[C@H](C)[NH3+] ZINC000857108876 588888583 /nfs/dbraw/zinc/88/85/83/588888583.db2.gz RDXYFUQGEJUBSG-DTWKUNHWSA-N 1 0 215.297 -0.040 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)NCC[C@H](C)[NH3+] ZINC000857108877 588888739 /nfs/dbraw/zinc/88/87/39/588888739.db2.gz RDXYFUQGEJUBSG-IUCAKERBSA-N 1 0 215.297 -0.040 20 30 BBEDRO C=CCNC(=O)CNC(=O)NCC[C@H](C)[NH3+] ZINC000857111217 588889235 /nfs/dbraw/zinc/88/92/35/588889235.db2.gz GJQZOVFJQZAPFF-QMMMGPOBSA-N 1 0 228.296 -0.675 20 30 BBEDRO C[C@H]([NH3+])CCNC(=O)N1CCO[C@H](C#N)C1 ZINC000857113366 583133478 /nfs/dbraw/zinc/13/34/78/583133478.db2.gz SDQUYAPQYOZSQU-DTWKUNHWSA-N 1 0 226.280 -0.342 20 30 BBEDRO C[C@H]([NH3+])CCNC(=O)N1CCO[C@@H](C#N)C1 ZINC000857113367 583133447 /nfs/dbraw/zinc/13/34/47/583133447.db2.gz SDQUYAPQYOZSQU-IUCAKERBSA-N 1 0 226.280 -0.342 20 30 BBEDRO Cn1cc(C=NNC2=[NH+]CCN2)c(Cl)n1 ZINC000857210387 588893590 /nfs/dbraw/zinc/89/35/90/588893590.db2.gz PBNBZCDNWDKZIG-UHFFFAOYSA-N 1 0 226.671 -0.044 20 30 BBEDRO CON(C)C(=O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857238061 588900718 /nfs/dbraw/zinc/90/07/18/588900718.db2.gz BUDBIIBOTYHIIK-SECBINFHSA-N 1 0 243.307 -0.103 20 30 BBEDRO CON(C)C(=O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857238062 588901053 /nfs/dbraw/zinc/90/10/53/588901053.db2.gz BUDBIIBOTYHIIK-VIFPVBQESA-N 1 0 243.307 -0.103 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857242568 588900692 /nfs/dbraw/zinc/90/06/92/588900692.db2.gz HMIYKYOVWLDCEO-NXEZZACHSA-N 1 0 210.277 -0.129 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857242569 588900709 /nfs/dbraw/zinc/90/07/09/588900709.db2.gz HMIYKYOVWLDCEO-UWVGGRQHSA-N 1 0 210.277 -0.129 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857242570 588900836 /nfs/dbraw/zinc/90/08/36/588900836.db2.gz HMIYKYOVWLDCEO-VHSXEESVSA-N 1 0 210.277 -0.129 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857242571 588900683 /nfs/dbraw/zinc/90/06/83/588900683.db2.gz HMIYKYOVWLDCEO-ZJUUUORDSA-N 1 0 210.277 -0.129 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857246984 588901609 /nfs/dbraw/zinc/90/16/09/588901609.db2.gz LXSCUXDLEADDMA-GWCFXTLKSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857246985 588901381 /nfs/dbraw/zinc/90/13/81/588901381.db2.gz LXSCUXDLEADDMA-GXFFZTMASA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857246986 588901347 /nfs/dbraw/zinc/90/13/47/588901347.db2.gz LXSCUXDLEADDMA-MFKMUULPSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857246987 588901346 /nfs/dbraw/zinc/90/13/46/588901346.db2.gz LXSCUXDLEADDMA-ZWNOBZJWSA-N 1 0 249.314 -0.582 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000857739168 588907734 /nfs/dbraw/zinc/90/77/34/588907734.db2.gz AEZZQLOIDGDEPS-LLVKDONJSA-N 1 0 239.319 -0.159 20 30 BBEDRO Cn1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000857772395 583191366 /nfs/dbraw/zinc/19/13/66/583191366.db2.gz ADYBZKMWDGSTJU-APPZFPTMSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000857772396 583191331 /nfs/dbraw/zinc/19/13/31/583191331.db2.gz ADYBZKMWDGSTJU-CBAPKCEASA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000857772397 583190598 /nfs/dbraw/zinc/19/05/98/583190598.db2.gz ADYBZKMWDGSTJU-IONNQARKSA-N 1 0 219.248 -0.739 20 30 BBEDRO Cn1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000857772398 583190663 /nfs/dbraw/zinc/19/06/63/583190663.db2.gz ADYBZKMWDGSTJU-VXNVDRBHSA-N 1 0 219.248 -0.739 20 30 BBEDRO C#CCCN1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000858367419 588948690 /nfs/dbraw/zinc/94/86/90/588948690.db2.gz OUKMXVXJXQGLIG-UHFFFAOYSA-N 1 0 247.306 -0.819 20 30 BBEDRO C#C[C@@H](C)NC(=O)NC[C@@H]1COCCN1C ZINC000858368877 588949205 /nfs/dbraw/zinc/94/92/05/588949205.db2.gz OXJOKSJNJJNISH-NXEZZACHSA-N 1 0 225.292 -0.362 20 30 BBEDRO C#CCSCCNc1nc(N)[nH+]c(N)n1 ZINC000858420939 588953441 /nfs/dbraw/zinc/95/34/41/588953441.db2.gz WIVOPHMCZOPKCG-UHFFFAOYSA-N 1 0 224.293 -0.186 20 30 BBEDRO C#CCOCCNc1nc(N)[nH+]c(N)n1 ZINC000858481013 588959141 /nfs/dbraw/zinc/95/91/41/588959141.db2.gz BAYRGQOTZRNMCO-UHFFFAOYSA-N 1 0 208.225 -0.902 20 30 BBEDRO C#CCN(c1nc(N)[nH+]c(N)n1)C1CC1 ZINC000858483803 588959530 /nfs/dbraw/zinc/95/95/30/588959530.db2.gz AOUPFFMTWAKNEN-UHFFFAOYSA-N 1 0 204.237 -0.362 20 30 BBEDRO C#C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1CCCO1 ZINC000858487860 588960382 /nfs/dbraw/zinc/96/03/82/588960382.db2.gz JWQWLYAMYXCPNJ-BQBZGAKWSA-N 1 0 234.263 -0.371 20 30 BBEDRO C#C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1CCCO1 ZINC000858487861 588960189 /nfs/dbraw/zinc/96/01/89/588960189.db2.gz JWQWLYAMYXCPNJ-NKWVEPMBSA-N 1 0 234.263 -0.371 20 30 BBEDRO C#C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1CCCO1 ZINC000858487862 588960310 /nfs/dbraw/zinc/96/03/10/588960310.db2.gz JWQWLYAMYXCPNJ-RNFRBKRXSA-N 1 0 234.263 -0.371 20 30 BBEDRO C#C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1CCCO1 ZINC000858487863 588960293 /nfs/dbraw/zinc/96/02/93/588960293.db2.gz JWQWLYAMYXCPNJ-RQJHMYQMSA-N 1 0 234.263 -0.371 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)NCC1COC1 ZINC000858492789 588960613 /nfs/dbraw/zinc/96/06/13/588960613.db2.gz CXRLXXSTGRFOFJ-UHFFFAOYSA-N 1 0 239.319 -0.113 20 30 BBEDRO C#CCC[C@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000858528535 588963190 /nfs/dbraw/zinc/96/31/90/588963190.db2.gz QVLHMWZDFWAVHS-LURJTMIESA-N 1 0 222.252 -0.778 20 30 BBEDRO C#CCC[C@@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000858528538 588963140 /nfs/dbraw/zinc/96/31/40/588963140.db2.gz QVLHMWZDFWAVHS-ZCFIWIBFSA-N 1 0 222.252 -0.778 20 30 BBEDRO C#CC1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000858601478 588970212 /nfs/dbraw/zinc/97/02/12/588970212.db2.gz ZGQWJHNEVSWXSB-UHFFFAOYSA-N 1 0 218.264 -0.114 20 30 BBEDRO C#C[C@@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000858614120 588971537 /nfs/dbraw/zinc/97/15/37/588971537.db2.gz CRZBCAMJTOZMNF-SSDOTTSWSA-N 1 0 218.264 -0.114 20 30 BBEDRO C#C[C@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000858614121 588971231 /nfs/dbraw/zinc/97/12/31/588971231.db2.gz CRZBCAMJTOZMNF-ZETCQYMHSA-N 1 0 218.264 -0.114 20 30 BBEDRO C#C[C@@H](Nc1nc(N)[nH+]c(N)n1)C1CCOCC1 ZINC000858632888 588972566 /nfs/dbraw/zinc/97/25/66/588972566.db2.gz INQVELMZSUNVHN-MRVPVSSYSA-N 1 0 248.290 -0.124 20 30 BBEDRO C#C[C@H](Nc1nc(N)[nH+]c(N)n1)C1CCOCC1 ZINC000858632889 588972404 /nfs/dbraw/zinc/97/24/04/588972404.db2.gz INQVELMZSUNVHN-QMMMGPOBSA-N 1 0 248.290 -0.124 20 30 BBEDRO C#CCCN(CCOC)c1nc(N)[nH+]c(N)n1 ZINC000858635631 588972545 /nfs/dbraw/zinc/97/25/45/588972545.db2.gz NKNDRKOBJYZRED-UHFFFAOYSA-N 1 0 236.279 -0.488 20 30 BBEDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)N(C)CCC#N ZINC000858641837 588973000 /nfs/dbraw/zinc/97/30/00/588973000.db2.gz OYRBZGGBNSGFKE-MRVPVSSYSA-N 1 0 234.325 -0.644 20 30 BBEDRO C[C@H]([NH3+])CN(C)S(=O)(=O)N(C)CCC#N ZINC000858641843 588972929 /nfs/dbraw/zinc/97/29/29/588972929.db2.gz OYRBZGGBNSGFKE-QMMMGPOBSA-N 1 0 234.325 -0.644 20 30 BBEDRO C#CC[C@H](CCOC)Nc1nc(N)[nH+]c(N)n1 ZINC000858858999 588979710 /nfs/dbraw/zinc/97/97/10/588979710.db2.gz XNXUBHSBNXURDR-SSDOTTSWSA-N 1 0 236.279 -0.124 20 30 BBEDRO C#CC[C@@H](CCOC)Nc1nc(N)[nH+]c(N)n1 ZINC000858859000 588979743 /nfs/dbraw/zinc/97/97/43/588979743.db2.gz XNXUBHSBNXURDR-ZETCQYMHSA-N 1 0 236.279 -0.124 20 30 BBEDRO C#CC[C@@H](COC)Nc1nc(N)[nH+]c(N)n1 ZINC000858861347 588980333 /nfs/dbraw/zinc/98/03/33/588980333.db2.gz ANWWMASTPKEFGJ-LURJTMIESA-N 1 0 222.252 -0.514 20 30 BBEDRO C#CC[C@H](COC)Nc1nc(N)[nH+]c(N)n1 ZINC000858861348 588980391 /nfs/dbraw/zinc/98/03/91/588980391.db2.gz ANWWMASTPKEFGJ-ZCFIWIBFSA-N 1 0 222.252 -0.514 20 30 BBEDRO C#Cc1cnc(NCC[N@H+]2CC[C@H](O)C2)nc1 ZINC000858868646 588980413 /nfs/dbraw/zinc/98/04/13/588980413.db2.gz NWZSGKJTJGZDGL-NSHDSACASA-N 1 0 232.287 -0.064 20 30 BBEDRO C#CCCOC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000859109563 589003410 /nfs/dbraw/zinc/00/34/10/589003410.db2.gz TYFAEMXDPLSUDW-LLVKDONJSA-N 1 0 226.276 -0.198 20 30 BBEDRO C#CCCOC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000859109564 589003199 /nfs/dbraw/zinc/00/31/99/589003199.db2.gz TYFAEMXDPLSUDW-NSHDSACASA-N 1 0 226.276 -0.198 20 30 BBEDRO C#CCCOC(=O)NCCN1CC[NH+](C)CC1 ZINC000859120780 589004601 /nfs/dbraw/zinc/00/46/01/589004601.db2.gz HSVKUKVCYILMID-UHFFFAOYSA-N 1 0 239.319 -0.017 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000859306430 589029466 /nfs/dbraw/zinc/02/94/66/589029466.db2.gz WLHUUUFZHVGXJU-UHFFFAOYSA-N 1 0 232.287 -0.093 20 30 BBEDRO C#CCC[N@@H+](CCO)CCOCCOC ZINC000859511681 582489308 /nfs/dbraw/zinc/48/93/08/582489308.db2.gz AGEVYIRGRSQDAP-UHFFFAOYSA-N 1 0 215.293 -0.033 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000859555550 589044890 /nfs/dbraw/zinc/04/48/90/589044890.db2.gz MXIOCJFGIYSIJH-GFCCVEGCSA-N 1 0 241.287 -0.100 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000859555551 589044884 /nfs/dbraw/zinc/04/48/84/589044884.db2.gz MXIOCJFGIYSIJH-LBPRGKRZSA-N 1 0 241.287 -0.100 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]1C(N)=O ZINC000859663417 589052946 /nfs/dbraw/zinc/05/29/46/589052946.db2.gz NOIXTZCDOANIRD-VIFPVBQESA-N 1 0 223.276 -0.924 20 30 BBEDRO C#CCOCC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000859824559 589063726 /nfs/dbraw/zinc/06/37/26/589063726.db2.gz NESGTUCJDXZIGE-BETUJISGSA-N 1 0 241.331 -0.051 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859918589 589071334 /nfs/dbraw/zinc/07/13/34/589071334.db2.gz GRJBOMCQFOYMFT-WCQYABFASA-N 1 0 236.315 -0.170 20 30 BBEDRO C#CCCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000859957908 589073665 /nfs/dbraw/zinc/07/36/65/589073665.db2.gz LGDATAGCGRFDSO-UHFFFAOYSA-N 1 0 245.348 -0.343 20 30 BBEDRO C[N@H+](CC(=O)NCCC#N)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959845 589074160 /nfs/dbraw/zinc/07/41/60/589074160.db2.gz YJIDYDGNPCVMGT-DTORHVGOSA-N 1 0 238.291 -0.788 20 30 BBEDRO C#CCOCC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962177 589073507 /nfs/dbraw/zinc/07/35/07/589073507.db2.gz JQKJXBCDXULSCT-AOOOYVTPSA-N 1 0 210.277 -0.168 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962207 589074096 /nfs/dbraw/zinc/07/40/96/589074096.db2.gz KTADXYBRRZVCLQ-AOOOYVTPSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000859971414 589074253 /nfs/dbraw/zinc/07/42/53/589074253.db2.gz ZUJAZNLPTKTNOG-PHIMTYICSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000860011353 589075557 /nfs/dbraw/zinc/07/55/57/589075557.db2.gz AREAFZJKGDTGMS-JTQLQIEISA-N 1 0 210.277 -0.024 20 30 BBEDRO C#CCCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000860011354 589075661 /nfs/dbraw/zinc/07/56/61/589075661.db2.gz AREAFZJKGDTGMS-SNVBAGLBSA-N 1 0 210.277 -0.024 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000860083718 589079685 /nfs/dbraw/zinc/07/96/85/589079685.db2.gz RTVCGJUTXAHXJV-GHMZBOCLSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860125367 589080908 /nfs/dbraw/zinc/08/09/08/589080908.db2.gz FMOYLMIQKPIJDN-HOSYDEDBSA-N 1 0 222.288 -0.419 20 30 BBEDRO N#CCCNC(=O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860125623 589080778 /nfs/dbraw/zinc/08/07/78/589080778.db2.gz BNBAOFXIXOYMPA-HOSYDEDBSA-N 1 0 237.303 -0.139 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860132137 589081308 /nfs/dbraw/zinc/08/13/08/589081308.db2.gz WCIXAZZVWISLSO-DMDPSCGWSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860157096 589083022 /nfs/dbraw/zinc/08/30/22/589083022.db2.gz MKOPHJJCFFXQAL-IVZWLZJFSA-N 1 0 236.271 -0.771 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860157097 589082585 /nfs/dbraw/zinc/08/25/85/589082585.db2.gz MKOPHJJCFFXQAL-OPRDCNLKSA-N 1 0 236.271 -0.771 20 30 BBEDRO C=CCNC(=O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860157989 589083134 /nfs/dbraw/zinc/08/31/34/589083134.db2.gz GXOXNOAFJLSLJL-RKDXNWHRSA-N 1 0 224.260 -0.607 20 30 BBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860159050 589083211 /nfs/dbraw/zinc/08/32/11/589083211.db2.gz VSIMHFXCQMEBDF-IVZWLZJFSA-N 1 0 238.287 -0.218 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860159051 589083545 /nfs/dbraw/zinc/08/35/45/589083545.db2.gz VSIMHFXCQMEBDF-OPRDCNLKSA-N 1 0 238.287 -0.218 20 30 BBEDRO COCC#CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166145 589084392 /nfs/dbraw/zinc/08/43/92/589084392.db2.gz XCIRACIBHMBPJX-NXEZZACHSA-N 1 0 209.245 -0.259 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167781 589085973 /nfs/dbraw/zinc/08/59/73/589085973.db2.gz KUEVJTLBBUDANY-NXEZZACHSA-N 1 0 236.271 -0.769 20 30 BBEDRO C#CCOCC[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC000860168421 589085410 /nfs/dbraw/zinc/08/54/10/589085410.db2.gz XYACIBJIEXKVQF-UWVGGRQHSA-N 1 0 209.245 -0.259 20 30 BBEDRO C#CCOCCNC(=O)Cn1cncc1C ZINC000860772529 589119207 /nfs/dbraw/zinc/11/92/07/589119207.db2.gz CKZQKUFCJYXLHD-UHFFFAOYSA-N 1 0 221.260 -0.042 20 30 BBEDRO C[C@H](C(=O)OCC[NH+]1CCC1)n1cnc(C#N)n1 ZINC000861391458 589164626 /nfs/dbraw/zinc/16/46/26/589164626.db2.gz DINLGOPKHQVKPB-SECBINFHSA-N 1 0 249.274 -0.040 20 30 BBEDRO C[C@@H](C(=O)OCC[NH+]1CCC1)n1cnc(C#N)n1 ZINC000861391459 589164710 /nfs/dbraw/zinc/16/47/10/589164710.db2.gz DINLGOPKHQVKPB-VIFPVBQESA-N 1 0 249.274 -0.040 20 30 BBEDRO C#CCOCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861616043 589170262 /nfs/dbraw/zinc/17/02/62/589170262.db2.gz AHQUUJDPMDZAAK-VHSXEESVSA-N 1 0 225.292 -0.314 20 30 BBEDRO C#CCOCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861616269 589170423 /nfs/dbraw/zinc/17/04/23/589170423.db2.gz CDJKCYAYFPFLRL-SECBINFHSA-N 1 0 213.281 -0.375 20 30 BBEDRO C#CCOCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861616270 589170242 /nfs/dbraw/zinc/17/02/42/589170242.db2.gz CDJKCYAYFPFLRL-VIFPVBQESA-N 1 0 213.281 -0.375 20 30 BBEDRO C#CCOCCNC(=O)NCCOCC[NH2+]C ZINC000861616883 589170507 /nfs/dbraw/zinc/17/05/07/589170507.db2.gz GFUQSCWGQORFBI-UHFFFAOYSA-N 1 0 243.307 -0.829 20 30 BBEDRO C#CCOCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000861617109 589170818 /nfs/dbraw/zinc/17/08/18/589170818.db2.gz HPUNZZWTXQLYFT-SECBINFHSA-N 1 0 211.265 -0.703 20 30 BBEDRO C#CCOCCNC(=O)NCCOCCC[NH3+] ZINC000861617583 589170513 /nfs/dbraw/zinc/17/05/13/589170513.db2.gz KJSMGBKEGSSTLH-UHFFFAOYSA-N 1 0 243.307 -0.699 20 30 BBEDRO C#CCOCCNC(=O)N(C)CCOCC[NH3+] ZINC000861617632 589170620 /nfs/dbraw/zinc/17/06/20/589170620.db2.gz KWBQFCFFIBUGOX-UHFFFAOYSA-N 1 0 243.307 -0.747 20 30 BBEDRO C#C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000861617758 589170555 /nfs/dbraw/zinc/17/05/55/589170555.db2.gz MNAYAQYMAFDAQW-GMTAPVOTSA-N 1 0 237.303 -0.172 20 30 BBEDRO C#C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000861617759 589170659 /nfs/dbraw/zinc/17/06/59/589170659.db2.gz MNAYAQYMAFDAQW-MXWKQRLJSA-N 1 0 237.303 -0.172 20 30 BBEDRO C#CCOCCNC(=O)N(CC)CC[NH3+] ZINC000861618232 589170721 /nfs/dbraw/zinc/17/07/21/589170721.db2.gz QLBUFORYJDJUHF-UHFFFAOYSA-N 1 0 213.281 -0.374 20 30 BBEDRO C#CCCCNC(=O)NCCOCC[NH2+]C ZINC000861623641 589170928 /nfs/dbraw/zinc/17/09/28/589170928.db2.gz IETSUKULSCRDHJ-UHFFFAOYSA-N 1 0 227.308 -0.065 20 30 BBEDRO C#CCCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861623891 589171036 /nfs/dbraw/zinc/17/10/36/589171036.db2.gz MBHQARBSJHXQGI-JTQLQIEISA-N 1 0 225.292 -0.313 20 30 BBEDRO C#CCCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861623893 589170976 /nfs/dbraw/zinc/17/09/76/589170976.db2.gz MBHQARBSJHXQGI-SNVBAGLBSA-N 1 0 225.292 -0.313 20 30 BBEDRO N#CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861627012 589171095 /nfs/dbraw/zinc/17/10/95/589171095.db2.gz BCLAEHYGJDSPPC-MRVPVSSYSA-N 1 0 212.253 -0.812 20 30 BBEDRO N#CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861627014 589171112 /nfs/dbraw/zinc/17/11/12/589171112.db2.gz BCLAEHYGJDSPPC-QMMMGPOBSA-N 1 0 212.253 -0.812 20 30 BBEDRO C[NH2+]CCOCCN(C)C(=O)NCCC#N ZINC000861627111 589170995 /nfs/dbraw/zinc/17/09/95/589170995.db2.gz CTNRARLCUPHAMG-UHFFFAOYSA-N 1 0 228.296 -0.223 20 30 BBEDRO N#CCCNC(=O)NCCOCCC[NH3+] ZINC000861628112 589171110 /nfs/dbraw/zinc/17/11/10/589171110.db2.gz IWKSSHLIBZKFBS-UHFFFAOYSA-N 1 0 214.269 -0.435 20 30 BBEDRO C[NH2+]CCOCCNC(=O)NCCC#N ZINC000861628446 589171014 /nfs/dbraw/zinc/17/10/14/589171014.db2.gz SHVBLVQGEULOJK-UHFFFAOYSA-N 1 0 214.269 -0.565 20 30 BBEDRO C#C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C(C)C ZINC000861633695 589171396 /nfs/dbraw/zinc/17/13/96/589171396.db2.gz UBZNRKJQLDVKSD-GHMZBOCLSA-N 1 0 239.319 -0.068 20 30 BBEDRO C#C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C(C)C ZINC000861633696 589171464 /nfs/dbraw/zinc/17/14/64/589171464.db2.gz UBZNRKJQLDVKSD-MNOVXSKESA-N 1 0 239.319 -0.068 20 30 BBEDRO C#C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)C(C)C ZINC000861633697 589171239 /nfs/dbraw/zinc/17/12/39/589171239.db2.gz UBZNRKJQLDVKSD-QWRGUYRKSA-N 1 0 239.319 -0.068 20 30 BBEDRO C#C[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)C(C)C ZINC000861633698 589171515 /nfs/dbraw/zinc/17/15/15/589171515.db2.gz UBZNRKJQLDVKSD-WDEREUQCSA-N 1 0 239.319 -0.068 20 30 BBEDRO C=CCONC(=O)N(C)CCOCC[NH2+]C ZINC000861636014 589171702 /nfs/dbraw/zinc/17/17/02/589171702.db2.gz BUHIRJWNZPSSTG-UHFFFAOYSA-N 1 0 231.296 -0.019 20 30 BBEDRO C=CCONC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861636145 589171704 /nfs/dbraw/zinc/17/17/04/589171704.db2.gz GBIJSKPXDTWIKP-MRVPVSSYSA-N 1 0 215.253 -0.608 20 30 BBEDRO C=CCONC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861636146 589171685 /nfs/dbraw/zinc/17/16/85/589171685.db2.gz GBIJSKPXDTWIKP-QMMMGPOBSA-N 1 0 215.253 -0.608 20 30 BBEDRO C=CCONC(=O)NCCOCCC[NH3+] ZINC000861636362 589171868 /nfs/dbraw/zinc/17/18/68/589171868.db2.gz KZHBEAFXRLUMKQ-UHFFFAOYSA-N 1 0 217.269 -0.231 20 30 BBEDRO C=CCONC(=O)N(C)CCOCC[NH3+] ZINC000861636399 589171840 /nfs/dbraw/zinc/17/18/40/589171840.db2.gz MCTABHJKWQKRKU-UHFFFAOYSA-N 1 0 217.269 -0.279 20 30 BBEDRO C=CCONC(=O)NCC1([NH3+])CCOCC1 ZINC000861636420 589171709 /nfs/dbraw/zinc/17/17/09/589171709.db2.gz MYQLMZXGDKICRX-UHFFFAOYSA-N 1 0 229.280 -0.089 20 30 BBEDRO C=CCONC(=O)NCCOCC[NH2+]C ZINC000861636520 589171683 /nfs/dbraw/zinc/17/16/83/589171683.db2.gz PFDDHFATFZGJKE-UHFFFAOYSA-N 1 0 217.269 -0.361 20 30 BBEDRO C=CCONC(=O)NC1(C[NH3+])CCOCC1 ZINC000861636576 589171904 /nfs/dbraw/zinc/17/19/04/589171904.db2.gz QUXDDOOMDSNWNC-UHFFFAOYSA-N 1 0 229.280 -0.089 20 30 BBEDRO C#CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000861665991 589173697 /nfs/dbraw/zinc/17/36/97/589173697.db2.gz FDMBOEOJXNAKAF-UHFFFAOYSA-N 1 0 211.265 -0.573 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000861667491 589174105 /nfs/dbraw/zinc/17/41/05/589174105.db2.gz WPWAPIPEODKVHO-SECBINFHSA-N 1 0 225.292 -0.185 20 30 BBEDRO C#C[C@H](C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000861667492 589173924 /nfs/dbraw/zinc/17/39/24/589173924.db2.gz WPWAPIPEODKVHO-VIFPVBQESA-N 1 0 225.292 -0.185 20 30 BBEDRO C#CCN(C)C(=O)NCC1([NH3+])CCOCC1 ZINC000861667650 589174149 /nfs/dbraw/zinc/17/41/49/589174149.db2.gz ZSRCGGOGRLCUMS-UHFFFAOYSA-N 1 0 225.292 -0.231 20 30 BBEDRO C#CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000861669465 589174155 /nfs/dbraw/zinc/17/41/55/589174155.db2.gz TWGSMRSHTQUYGG-UHFFFAOYSA-N 1 0 225.292 -0.183 20 30 BBEDRO C#CCN(C)C(=O)NCCOCC[NH2+]C ZINC000861675653 589173932 /nfs/dbraw/zinc/17/39/32/589173932.db2.gz IZEWYDURSURQQA-UHFFFAOYSA-N 1 0 213.281 -0.503 20 30 BBEDRO C#C[C@H](C)N(C)C(=O)NCCOCC[NH2+]C ZINC000861675994 589173948 /nfs/dbraw/zinc/17/39/48/589173948.db2.gz MVDRUMNXRPCLKA-JTQLQIEISA-N 1 0 227.308 -0.115 20 30 BBEDRO C#C[C@@H](C)N(C)C(=O)NCCOCC[NH2+]C ZINC000861675996 589173986 /nfs/dbraw/zinc/17/39/86/589173986.db2.gz MVDRUMNXRPCLKA-SNVBAGLBSA-N 1 0 227.308 -0.115 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCCOCC[NH2+]C ZINC000861676683 589172788 /nfs/dbraw/zinc/17/27/88/589172788.db2.gz UGYIDPGOBRHUDW-SECBINFHSA-N 1 0 213.281 -0.457 20 30 BBEDRO C#C[C@H](C)NC(=O)NCCOCC[NH2+]C ZINC000861676684 589172983 /nfs/dbraw/zinc/17/29/83/589172983.db2.gz UGYIDPGOBRHUDW-VIFPVBQESA-N 1 0 213.281 -0.457 20 30 BBEDRO C#CCCNC(=O)NCCOCC[NH2+]C ZINC000861677292 589173959 /nfs/dbraw/zinc/17/39/59/589173959.db2.gz GYYYOHHABSVMDE-UHFFFAOYSA-N 1 0 213.281 -0.455 20 30 BBEDRO C#CCN(CC)C(=O)NCCOCC[NH2+]C ZINC000861677538 589174018 /nfs/dbraw/zinc/17/40/18/589174018.db2.gz RTCBZWKUXMUERU-UHFFFAOYSA-N 1 0 227.308 -0.113 20 30 BBEDRO C#CCN(CC)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861680761 589174389 /nfs/dbraw/zinc/17/43/89/589174389.db2.gz CLMKZEQELVQHSO-JTQLQIEISA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCN(CC)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861680762 589174451 /nfs/dbraw/zinc/17/44/51/589174451.db2.gz CLMKZEQELVQHSO-SNVBAGLBSA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861681461 589174302 /nfs/dbraw/zinc/17/43/02/589174302.db2.gz IYIKGGLRVKMPSR-SECBINFHSA-N 1 0 211.265 -0.703 20 30 BBEDRO C#CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861681463 589174306 /nfs/dbraw/zinc/17/43/06/589174306.db2.gz IYIKGGLRVKMPSR-VIFPVBQESA-N 1 0 211.265 -0.703 20 30 BBEDRO C#CCN(CC#CC)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861683639 589174387 /nfs/dbraw/zinc/17/43/87/589174387.db2.gz WDAHALQWLGDUOD-GFCCVEGCSA-N 1 0 249.314 -0.357 20 30 BBEDRO C#CCN(CC#CC)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861683640 589173891 /nfs/dbraw/zinc/17/38/91/589173891.db2.gz WDAHALQWLGDUOD-LBPRGKRZSA-N 1 0 249.314 -0.357 20 30 BBEDRO C#C[C@@H](C)N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861683892 589174542 /nfs/dbraw/zinc/17/45/42/589174542.db2.gz CPVAHLPIABIXIE-NXEZZACHSA-N 1 0 225.292 -0.362 20 30 BBEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861683893 589174290 /nfs/dbraw/zinc/17/42/90/589174290.db2.gz CPVAHLPIABIXIE-UWVGGRQHSA-N 1 0 225.292 -0.362 20 30 BBEDRO C#C[C@H](C)N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861683894 589174510 /nfs/dbraw/zinc/17/45/10/589174510.db2.gz CPVAHLPIABIXIE-VHSXEESVSA-N 1 0 225.292 -0.362 20 30 BBEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861683895 589174625 /nfs/dbraw/zinc/17/46/25/589174625.db2.gz CPVAHLPIABIXIE-ZJUUUORDSA-N 1 0 225.292 -0.362 20 30 BBEDRO C#CCN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861684581 589174651 /nfs/dbraw/zinc/17/46/51/589174651.db2.gz OQPKHSQGBZAUKZ-SECBINFHSA-N 1 0 211.265 -0.751 20 30 BBEDRO C#CCN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861684584 589174631 /nfs/dbraw/zinc/17/46/31/589174631.db2.gz OQPKHSQGBZAUKZ-VIFPVBQESA-N 1 0 211.265 -0.751 20 30 BBEDRO C#C[C@@H](C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861685268 589174319 /nfs/dbraw/zinc/17/43/19/589174319.db2.gz UIQDQCKPNOSAOX-BDAKNGLRSA-N 1 0 211.265 -0.704 20 30 BBEDRO C#C[C@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861685269 589174340 /nfs/dbraw/zinc/17/43/40/589174340.db2.gz UIQDQCKPNOSAOX-DTWKUNHWSA-N 1 0 211.265 -0.704 20 30 BBEDRO C#C[C@H](C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861685272 589174467 /nfs/dbraw/zinc/17/44/67/589174467.db2.gz UIQDQCKPNOSAOX-IUCAKERBSA-N 1 0 211.265 -0.704 20 30 BBEDRO C#C[C@@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861685273 589174623 /nfs/dbraw/zinc/17/46/23/589174623.db2.gz UIQDQCKPNOSAOX-RKDXNWHRSA-N 1 0 211.265 -0.704 20 30 BBEDRO C#CCN(C(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000861686839 589174535 /nfs/dbraw/zinc/17/45/35/589174535.db2.gz GGHNMLLTWXNNAK-JTQLQIEISA-N 1 0 237.303 -0.218 20 30 BBEDRO C#CCN(C(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000861686840 589174558 /nfs/dbraw/zinc/17/45/58/589174558.db2.gz GGHNMLLTWXNNAK-SNVBAGLBSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#CCCNC(=O)NCCOCCC[NH3+] ZINC000861691855 589174830 /nfs/dbraw/zinc/17/48/30/589174830.db2.gz PHTOTDYZMQYQNX-UHFFFAOYSA-N 1 0 213.281 -0.326 20 30 BBEDRO C#CCN(C)C(=O)NCCOCCC[NH3+] ZINC000861693311 589174938 /nfs/dbraw/zinc/17/49/38/589174938.db2.gz SWBNOZGCXZRGCL-UHFFFAOYSA-N 1 0 213.281 -0.374 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCCOCCC[NH3+] ZINC000861693403 589174983 /nfs/dbraw/zinc/17/49/83/589174983.db2.gz URVPOBCGKSHFOV-SECBINFHSA-N 1 0 213.281 -0.327 20 30 BBEDRO C#C[C@H](C)NC(=O)NCCOCCC[NH3+] ZINC000861693404 589174825 /nfs/dbraw/zinc/17/48/25/589174825.db2.gz URVPOBCGKSHFOV-VIFPVBQESA-N 1 0 213.281 -0.327 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861703035 589175167 /nfs/dbraw/zinc/17/51/67/589175167.db2.gz DQFYIIXSUGUKJB-GARJFASQSA-N 1 0 237.303 -0.220 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861703037 589175160 /nfs/dbraw/zinc/17/51/60/589175160.db2.gz DQFYIIXSUGUKJB-HBNTYKKESA-N 1 0 237.303 -0.220 20 30 BBEDRO CC#CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861715868 589176218 /nfs/dbraw/zinc/17/62/18/589176218.db2.gz QPQMNCNYFWNYDB-GHMZBOCLSA-N 1 0 222.288 -0.323 20 30 BBEDRO CC#CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861715869 589175858 /nfs/dbraw/zinc/17/58/58/589175858.db2.gz QPQMNCNYFWNYDB-MNOVXSKESA-N 1 0 222.288 -0.323 20 30 BBEDRO CC#CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861715870 589176124 /nfs/dbraw/zinc/17/61/24/589176124.db2.gz QPQMNCNYFWNYDB-QWRGUYRKSA-N 1 0 222.288 -0.323 20 30 BBEDRO CC#CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861715871 589176242 /nfs/dbraw/zinc/17/62/42/589176242.db2.gz QPQMNCNYFWNYDB-WDEREUQCSA-N 1 0 222.288 -0.323 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861716534 589176239 /nfs/dbraw/zinc/17/62/39/589176239.db2.gz RPMTZTXAIIPMTA-AXFHLTTASA-N 1 0 240.303 -0.799 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861716542 589175988 /nfs/dbraw/zinc/17/59/88/589175988.db2.gz RPMTZTXAIIPMTA-DCAQKATOSA-N 1 0 240.303 -0.799 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861716544 589175847 /nfs/dbraw/zinc/17/58/47/589175847.db2.gz RPMTZTXAIIPMTA-MXWKQRLJSA-N 1 0 240.303 -0.799 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861716546 589176203 /nfs/dbraw/zinc/17/62/03/589176203.db2.gz RPMTZTXAIIPMTA-VWYCJHECSA-N 1 0 240.303 -0.799 20 30 BBEDRO CON=CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861718730 589176055 /nfs/dbraw/zinc/17/60/55/589176055.db2.gz ZDDMUNHLFNWRIN-NXEZZACHSA-N 1 0 241.291 -0.714 20 30 BBEDRO CON=CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861718732 589175876 /nfs/dbraw/zinc/17/58/76/589175876.db2.gz ZDDMUNHLFNWRIN-UWVGGRQHSA-N 1 0 241.291 -0.714 20 30 BBEDRO CON=CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861718733 589175864 /nfs/dbraw/zinc/17/58/64/589175864.db2.gz ZDDMUNHLFNWRIN-VHSXEESVSA-N 1 0 241.291 -0.714 20 30 BBEDRO CON=CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861718734 589175968 /nfs/dbraw/zinc/17/59/68/589175968.db2.gz ZDDMUNHLFNWRIN-ZJUUUORDSA-N 1 0 241.291 -0.714 20 30 BBEDRO C=CCCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861740854 589176301 /nfs/dbraw/zinc/17/63/01/589176301.db2.gz DIMNBHXJOHVFRT-SECBINFHSA-N 1 0 227.308 -0.126 20 30 BBEDRO C=CCCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861740855 589176333 /nfs/dbraw/zinc/17/63/33/589176333.db2.gz DIMNBHXJOHVFRT-VIFPVBQESA-N 1 0 227.308 -0.126 20 30 BBEDRO C=CCN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000861814563 589179049 /nfs/dbraw/zinc/17/90/49/589179049.db2.gz PJVGQLKKNGDFRE-SNVBAGLBSA-N 1 0 239.319 -0.113 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(=O)[nH]cn1 ZINC000861838302 589180157 /nfs/dbraw/zinc/18/01/57/589180157.db2.gz YDEYWKQXFKAGOG-UHFFFAOYSA-N 1 0 248.286 -0.133 20 30 BBEDRO CON=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861911540 589182993 /nfs/dbraw/zinc/18/29/93/589182993.db2.gz ABMBOFXUOWVOGX-MBTKJCJQSA-N 1 0 211.265 -0.363 20 30 BBEDRO C=C[C@H](O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861911893 589183057 /nfs/dbraw/zinc/18/30/57/589183057.db2.gz GHZLQULNOQADCN-QCLAVDOMSA-N 1 0 210.277 -0.448 20 30 BBEDRO C=C[C@@H](O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861911894 589183084 /nfs/dbraw/zinc/18/30/84/589183084.db2.gz GHZLQULNOQADCN-RGOKHQFPSA-N 1 0 210.277 -0.448 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1COCO1 ZINC000861978676 589188523 /nfs/dbraw/zinc/18/85/23/589188523.db2.gz PTQBYQGJLIUYSG-SECBINFHSA-N 1 0 214.265 -0.407 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1COCO1 ZINC000861978679 589188371 /nfs/dbraw/zinc/18/83/71/589188371.db2.gz PTQBYQGJLIUYSG-VIFPVBQESA-N 1 0 214.265 -0.407 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)N1CCCO1 ZINC000862085540 589191397 /nfs/dbraw/zinc/19/13/97/589191397.db2.gz DSUPMFBNUYPRCL-UHFFFAOYSA-N 1 0 241.291 -0.616 20 30 BBEDRO C#CC[C@H]1CC[N@@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC000862447400 645697672 /nfs/dbraw/zinc/69/76/72/645697672.db2.gz MMBGJSMUDOHFTI-JTQLQIEISA-N 1 0 247.302 -0.391 20 30 BBEDRO C#CC[C@@H]1CC[N@@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC000862447401 645696267 /nfs/dbraw/zinc/69/62/67/645696267.db2.gz MMBGJSMUDOHFTI-SNVBAGLBSA-N 1 0 247.302 -0.391 20 30 BBEDRO CC#CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000862648969 589230388 /nfs/dbraw/zinc/23/03/88/589230388.db2.gz NPEASJXIFHUANH-JTQLQIEISA-N 1 0 237.303 -0.534 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000862659200 589231236 /nfs/dbraw/zinc/23/12/36/589231236.db2.gz VCEMTYGILYVISG-GHMZBOCLSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000862659201 589231279 /nfs/dbraw/zinc/23/12/79/589231279.db2.gz VCEMTYGILYVISG-MNOVXSKESA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000862659202 589231076 /nfs/dbraw/zinc/23/10/76/589231076.db2.gz VCEMTYGILYVISG-QWRGUYRKSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000862659203 636639967 /nfs/dbraw/zinc/63/99/67/636639967.db2.gz VCEMTYGILYVISG-WDEREUQCSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NN1CCOC1=O ZINC000862704138 589235139 /nfs/dbraw/zinc/23/51/39/589235139.db2.gz ZGWQCTUUEVLWIW-UHFFFAOYSA-N 1 0 213.237 -0.412 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000862818177 589242611 /nfs/dbraw/zinc/24/26/11/589242611.db2.gz IPCNBLSITANHDP-KYZUINATSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C(N)=O ZINC000862897002 589246092 /nfs/dbraw/zinc/24/60/92/589246092.db2.gz DFDFMAWVTRMMJY-VIFPVBQESA-N 1 0 225.292 -0.420 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COCCC1=O ZINC000862935154 589247376 /nfs/dbraw/zinc/24/73/76/589247376.db2.gz MWSQYCYEJQUBLS-SECBINFHSA-N 1 0 226.276 -0.422 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1COCCC1=O ZINC000862935155 589247463 /nfs/dbraw/zinc/24/74/63/589247463.db2.gz MWSQYCYEJQUBLS-VIFPVBQESA-N 1 0 226.276 -0.422 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCOCC(=O)OC ZINC000862951066 589248585 /nfs/dbraw/zinc/24/85/85/589248585.db2.gz OBDCLARIGKONRQ-UHFFFAOYSA-N 1 0 244.291 -0.590 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1COCCN1C ZINC000862969958 589249921 /nfs/dbraw/zinc/24/99/21/589249921.db2.gz RAAJCGJDIFUHBO-LLVKDONJSA-N 1 0 241.335 -0.449 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1COCCN1C ZINC000862969959 589250185 /nfs/dbraw/zinc/25/01/85/589250185.db2.gz RAAJCGJDIFUHBO-NSHDSACASA-N 1 0 241.335 -0.449 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)CC(=O)OC ZINC000863017684 589252711 /nfs/dbraw/zinc/25/27/11/589252711.db2.gz SKXMFAPXBNNZFB-SECBINFHSA-N 1 0 244.291 -0.856 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)CC(=O)OC ZINC000863017685 589252619 /nfs/dbraw/zinc/25/26/19/589252619.db2.gz SKXMFAPXBNNZFB-VIFPVBQESA-N 1 0 244.291 -0.856 20 30 BBEDRO CC(C)(O)CNN=C1CC[NH+](CCO)CC1 ZINC000863136558 589261579 /nfs/dbraw/zinc/26/15/79/589261579.db2.gz HLGDKVLZXQZGKK-UHFFFAOYSA-N 1 0 229.324 -0.209 20 30 BBEDRO COc1ncnc(N)c1C=NNCC(C)(C)O ZINC000863138041 589262093 /nfs/dbraw/zinc/26/20/93/589262093.db2.gz XEFXVIROKJGBEE-UHFFFAOYSA-N 1 0 239.279 -0.238 20 30 BBEDRO CC(C)(O)CNN=Cc1cnc(N)nc1 ZINC000863138122 589262082 /nfs/dbraw/zinc/26/20/82/589262082.db2.gz AEUNLGGIPVPHAW-UHFFFAOYSA-N 1 0 209.253 -0.247 20 30 BBEDRO CC[N@@H+]1CCC(N=NC2=NCC(=O)N2)[C@H](C)C1 ZINC000863174780 589267609 /nfs/dbraw/zinc/26/76/09/589267609.db2.gz CEBFTQNVWGDYEV-MRVPVSSYSA-N 1 0 237.307 -0.221 20 30 BBEDRO CC[N@@H+]1CCC(N=NC2=NCC(=O)N2)[C@@H](C)C1 ZINC000863174781 589267565 /nfs/dbraw/zinc/26/75/65/589267565.db2.gz CEBFTQNVWGDYEV-QMMMGPOBSA-N 1 0 237.307 -0.221 20 30 BBEDRO C[C@@H]1CC(N=NC2=NCC(=O)N2)C[N@@H+]1C1CC1 ZINC000863174903 589267514 /nfs/dbraw/zinc/26/75/14/589267514.db2.gz ICZIEXKTXFAVMX-SSDOTTSWSA-N 1 0 235.291 -0.326 20 30 BBEDRO C[C@H]1CC(N=NC2=NCC(=O)N2)C[N@@H+]1C1CC1 ZINC000863174904 589267625 /nfs/dbraw/zinc/26/76/25/589267625.db2.gz ICZIEXKTXFAVMX-ZETCQYMHSA-N 1 0 235.291 -0.326 20 30 BBEDRO C[C@@H]1CC(N=NC2=NCC(=O)N2)CC[N@@H+]1C ZINC000863175232 589267904 /nfs/dbraw/zinc/26/79/04/589267904.db2.gz XKLNVVXSPGOXBV-SSDOTTSWSA-N 1 0 223.280 -0.468 20 30 BBEDRO C[C@H]1CC(N=NC2=NCC(=O)N2)CC[N@@H+]1C ZINC000863175233 589268351 /nfs/dbraw/zinc/26/83/51/589268351.db2.gz XKLNVVXSPGOXBV-ZETCQYMHSA-N 1 0 223.280 -0.468 20 30 BBEDRO C[N@@H+]1CCCC(N=NC2=NCC(=O)N2)CC1 ZINC000863175672 589267342 /nfs/dbraw/zinc/26/73/42/589267342.db2.gz NYYFWMMNRBHHRB-UHFFFAOYSA-N 1 0 223.280 -0.467 20 30 BBEDRO O=C1CN=C(NN=C2CC[N@@H+]3CCC[C@H]23)N1 ZINC000863175737 583980156 /nfs/dbraw/zinc/98/01/56/583980156.db2.gz QFNCCMWUPJLSJM-MRVPVSSYSA-N 1 0 221.264 -0.714 20 30 BBEDRO O=C1CN=C(NN=C2CC[N@@H+]3CCC[C@@H]23)N1 ZINC000863175738 583980211 /nfs/dbraw/zinc/98/02/11/583980211.db2.gz QFNCCMWUPJLSJM-QMMMGPOBSA-N 1 0 221.264 -0.714 20 30 BBEDRO C[NH+](C)[C@@H]1CCCC(N=NC2=NCC(=O)N2)C1 ZINC000863175961 589267981 /nfs/dbraw/zinc/26/79/81/589267981.db2.gz ZOTPIPSGPPNAFI-SECBINFHSA-N 1 0 237.307 -0.078 20 30 BBEDRO C[NH+](C)[C@H]1CCCC(N=NC2=NCC(=O)N2)C1 ZINC000863175962 589268283 /nfs/dbraw/zinc/26/82/83/589268283.db2.gz ZOTPIPSGPPNAFI-VIFPVBQESA-N 1 0 237.307 -0.078 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](O)C1 ZINC000863181105 589269122 /nfs/dbraw/zinc/26/91/22/589269122.db2.gz IFKUNFSQGJAMGE-TUAOUCFPSA-N 1 0 236.315 -0.029 20 30 BBEDRO C[C@@H]1CC(=Nn2ccc(=O)[nH]c2=O)CN1C ZINC000863185507 589269873 /nfs/dbraw/zinc/26/98/73/589269873.db2.gz WGUGPZBSIZLCBU-SSDOTTSWSA-N 1 0 222.248 -0.123 20 30 BBEDRO C[C@H]1CC(=Nn2ccc(=O)[nH]c2=O)CN1C ZINC000863185508 589269861 /nfs/dbraw/zinc/26/98/61/589269861.db2.gz WGUGPZBSIZLCBU-ZETCQYMHSA-N 1 0 222.248 -0.123 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC000863187387 589269820 /nfs/dbraw/zinc/26/98/20/589269820.db2.gz JTQOWGXLNGDUBE-AOOOYVTPSA-N 1 0 212.293 -0.009 20 30 BBEDRO C#CCNC(=S)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863236490 589273991 /nfs/dbraw/zinc/27/39/91/589273991.db2.gz LYKLUCRHKYCVRO-SECBINFHSA-N 1 0 227.333 -0.850 20 30 BBEDRO C=CCNC(=S)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863237246 589273880 /nfs/dbraw/zinc/27/38/80/589273880.db2.gz ZPCPCBNCODFDDI-SECBINFHSA-N 1 0 229.349 -0.297 20 30 BBEDRO C#CCNC(=S)NCC[N@H+]1CC[C@H](O)C1 ZINC000863253254 589274692 /nfs/dbraw/zinc/27/46/92/589274692.db2.gz LYKLUCRHKYCVRO-VIFPVBQESA-N 1 0 227.333 -0.850 20 30 BBEDRO C=CCNC(=S)NCC[N@H+]1CC[C@H](O)C1 ZINC000863253950 589274841 /nfs/dbraw/zinc/27/48/41/589274841.db2.gz ZPCPCBNCODFDDI-VIFPVBQESA-N 1 0 229.349 -0.297 20 30 BBEDRO O=C(C#CC1CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863316798 589278654 /nfs/dbraw/zinc/27/86/54/589278654.db2.gz GXPKCVPWDBZOIZ-LLVKDONJSA-N 1 0 222.288 -0.417 20 30 BBEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863317889 589279185 /nfs/dbraw/zinc/27/91/85/589279185.db2.gz GZQRUWDOIXKUCU-GHMZBOCLSA-N 1 0 240.303 -0.793 20 30 BBEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863317890 589279507 /nfs/dbraw/zinc/27/95/07/589279507.db2.gz GZQRUWDOIXKUCU-WDEREUQCSA-N 1 0 240.303 -0.793 20 30 BBEDRO N#Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)o1 ZINC000863317998 589279148 /nfs/dbraw/zinc/27/91/48/589279148.db2.gz JEYSXHOYURKJKC-SECBINFHSA-N 1 0 249.270 -0.052 20 30 BBEDRO CC(C)C#CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863318543 589279192 /nfs/dbraw/zinc/27/91/92/589279192.db2.gz PCQAZELNULPODE-LLVKDONJSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCOCCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863320534 589279179 /nfs/dbraw/zinc/27/91/79/589279179.db2.gz YWYSHQRGGCEBOD-LLVKDONJSA-N 1 0 240.303 -0.791 20 30 BBEDRO C#CCCCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863320631 589279437 /nfs/dbraw/zinc/27/94/37/589279437.db2.gz FLDVHWMPVFHMLT-LLVKDONJSA-N 1 0 224.304 -0.027 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863358321 589282799 /nfs/dbraw/zinc/28/27/99/589282799.db2.gz YJWPMZKVEKHWAM-AOOOYVTPSA-N 1 0 239.319 -0.174 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCOC[C@H]1O ZINC000863373595 589284723 /nfs/dbraw/zinc/28/47/23/589284723.db2.gz ZAIWQQTVMSSWFR-NXEZZACHSA-N 1 0 228.292 -0.630 20 30 BBEDRO C#CCOCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000863553936 645704087 /nfs/dbraw/zinc/70/40/87/645704087.db2.gz NDDBIXSEFLOJNT-GFCCVEGCSA-N 1 0 226.320 -0.318 20 30 BBEDRO C#CCOCCNC[C@H](O)C[NH+]1CCCC1 ZINC000863553937 645703933 /nfs/dbraw/zinc/70/39/33/645703933.db2.gz NDDBIXSEFLOJNT-LBPRGKRZSA-N 1 0 226.320 -0.318 20 30 BBEDRO CON(C)C(=O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863556842 589299193 /nfs/dbraw/zinc/29/91/93/589299193.db2.gz ILELUGJKVLQRJS-SECBINFHSA-N 1 0 241.291 -0.349 20 30 BBEDRO CON(C)C(=O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863556846 589299195 /nfs/dbraw/zinc/29/91/95/589299195.db2.gz ILELUGJKVLQRJS-VIFPVBQESA-N 1 0 241.291 -0.349 20 30 BBEDRO COC(=O)NCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863558371 589299172 /nfs/dbraw/zinc/29/91/72/589299172.db2.gz ZWKAPQUTQDJAMS-SECBINFHSA-N 1 0 241.291 -0.013 20 30 BBEDRO COC(=O)NCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863558372 589298840 /nfs/dbraw/zinc/29/88/40/589298840.db2.gz ZWKAPQUTQDJAMS-VIFPVBQESA-N 1 0 241.291 -0.013 20 30 BBEDRO C#CCNC(=O)CC[NH2+]Cc1cnnn1CC ZINC000863560677 589299050 /nfs/dbraw/zinc/29/90/50/589299050.db2.gz OEGBJLULXYVZGR-UHFFFAOYSA-N 1 0 235.291 -0.473 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863564930 589295525 /nfs/dbraw/zinc/29/55/25/589295525.db2.gz WYLJSRCCGVCNQG-NXEZZACHSA-N 1 0 208.261 -0.375 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863564933 589295751 /nfs/dbraw/zinc/29/57/51/589295751.db2.gz WYLJSRCCGVCNQG-UWVGGRQHSA-N 1 0 208.261 -0.375 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863564937 589295666 /nfs/dbraw/zinc/29/56/66/589295666.db2.gz WYLJSRCCGVCNQG-VHSXEESVSA-N 1 0 208.261 -0.375 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863564942 589295558 /nfs/dbraw/zinc/29/55/58/589295558.db2.gz WYLJSRCCGVCNQG-ZJUUUORDSA-N 1 0 208.261 -0.375 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@@H](C)[NH3+] ZINC000863569416 589300756 /nfs/dbraw/zinc/30/07/56/589300756.db2.gz VBVZIEXITZWOPP-BDAKNGLRSA-N 1 0 242.323 -0.334 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@H](C)[NH3+] ZINC000863569417 589300674 /nfs/dbraw/zinc/30/06/74/589300674.db2.gz VBVZIEXITZWOPP-DTWKUNHWSA-N 1 0 242.323 -0.334 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@H](C)[NH3+] ZINC000863569418 589300627 /nfs/dbraw/zinc/30/06/27/589300627.db2.gz VBVZIEXITZWOPP-IUCAKERBSA-N 1 0 242.323 -0.334 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@@H](C)[NH3+] ZINC000863569419 589300743 /nfs/dbraw/zinc/30/07/43/589300743.db2.gz VBVZIEXITZWOPP-RKDXNWHRSA-N 1 0 242.323 -0.334 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000863571321 589300436 /nfs/dbraw/zinc/30/04/36/589300436.db2.gz VWKIPLCTKWOHFQ-GHMZBOCLSA-N 1 0 240.303 -0.745 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000863571322 589300428 /nfs/dbraw/zinc/30/04/28/589300428.db2.gz VWKIPLCTKWOHFQ-MNOVXSKESA-N 1 0 240.303 -0.745 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000863571323 589300783 /nfs/dbraw/zinc/30/07/83/589300783.db2.gz VWKIPLCTKWOHFQ-QWRGUYRKSA-N 1 0 240.303 -0.745 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000863571324 589300736 /nfs/dbraw/zinc/30/07/36/589300736.db2.gz VWKIPLCTKWOHFQ-WDEREUQCSA-N 1 0 240.303 -0.745 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1COCCN1C ZINC000863580105 589301361 /nfs/dbraw/zinc/30/13/61/589301361.db2.gz ZKUMMKHKZXRDIQ-LLVKDONJSA-N 1 0 239.319 -0.954 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1COCCN1C ZINC000863580106 589301280 /nfs/dbraw/zinc/30/12/80/589301280.db2.gz ZKUMMKHKZXRDIQ-NSHDSACASA-N 1 0 239.319 -0.954 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000863583468 589301720 /nfs/dbraw/zinc/30/17/20/589301720.db2.gz XRCJNRCFWMZZNW-AOOOYVTPSA-N 1 0 210.277 -0.514 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@H](OC)C1 ZINC000863586208 589302342 /nfs/dbraw/zinc/30/23/42/589302342.db2.gz CMTBPBPWLKQGSZ-MGCOHNPYSA-N 1 0 210.277 -0.107 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C)C(=O)N(C)OC ZINC000863587592 589302037 /nfs/dbraw/zinc/30/20/37/589302037.db2.gz ZFPONVQMPTZUKS-SECBINFHSA-N 1 0 241.291 -0.876 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C(=O)N(C)OC ZINC000863588051 589302885 /nfs/dbraw/zinc/30/28/85/589302885.db2.gz ZFPONVQMPTZUKS-VIFPVBQESA-N 1 0 241.291 -0.876 20 30 BBEDRO C#CC[C@H](COC)[NH2+]CCC(=O)NC(N)=O ZINC000863588771 583992951 /nfs/dbraw/zinc/99/29/51/583992951.db2.gz FVGCCQUDUNQJQA-MRVPVSSYSA-N 1 0 227.264 -0.801 20 30 BBEDRO C#CC[C@@H](COC)[NH2+]CCC(=O)NC(N)=O ZINC000863588772 583992741 /nfs/dbraw/zinc/99/27/41/583992741.db2.gz FVGCCQUDUNQJQA-QMMMGPOBSA-N 1 0 227.264 -0.801 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](CC#C)COC ZINC000863589395 589302809 /nfs/dbraw/zinc/30/28/09/589302809.db2.gz OAKQBSAZGAJBQJ-LLVKDONJSA-N 1 0 222.288 -0.246 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H](CC#C)COC ZINC000863589396 589302511 /nfs/dbraw/zinc/30/25/11/589302511.db2.gz OAKQBSAZGAJBQJ-NSHDSACASA-N 1 0 222.288 -0.246 20 30 BBEDRO C#CC[C@H](CCOC)[NH2+]CCC(=O)NC(N)=O ZINC000863589748 589302779 /nfs/dbraw/zinc/30/27/79/589302779.db2.gz WOQNIMOFDXZGRP-SECBINFHSA-N 1 0 241.291 -0.411 20 30 BBEDRO C#CC[C@@H](CCOC)[NH2+]CCC(=O)NC(N)=O ZINC000863589749 589302905 /nfs/dbraw/zinc/30/29/05/589302905.db2.gz WOQNIMOFDXZGRP-VIFPVBQESA-N 1 0 241.291 -0.411 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C(=O)N(C)OC ZINC000863630897 589306057 /nfs/dbraw/zinc/30/60/57/589306057.db2.gz TWEXTPHBFOLQMG-VIFPVBQESA-N 1 0 243.307 -0.371 20 30 BBEDRO N#Cc1ccc(CN(CC[NH3+])CCO)o1 ZINC000863641472 589306516 /nfs/dbraw/zinc/30/65/16/589306516.db2.gz DMUDOSPBMFACQG-UHFFFAOYSA-N 1 0 209.249 -0.096 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000863708120 589312483 /nfs/dbraw/zinc/31/24/83/589312483.db2.gz TWEXTPHBFOLQMG-SECBINFHSA-N 1 0 243.307 -0.371 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863749080 589314440 /nfs/dbraw/zinc/31/44/40/589314440.db2.gz KNGGSJIQPWURAQ-JTQLQIEISA-N 1 0 239.319 -0.007 20 30 BBEDRO C=CCN(CC=C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863749085 589314311 /nfs/dbraw/zinc/31/43/11/589314311.db2.gz KNGGSJIQPWURAQ-SNVBAGLBSA-N 1 0 239.319 -0.007 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863751383 589314234 /nfs/dbraw/zinc/31/42/34/589314234.db2.gz HTYMBOQVQFNBIJ-MRVPVSSYSA-N 1 0 213.281 -0.564 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863751385 589314195 /nfs/dbraw/zinc/31/41/95/589314195.db2.gz HTYMBOQVQFNBIJ-QMMMGPOBSA-N 1 0 213.281 -0.564 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863756749 589314786 /nfs/dbraw/zinc/31/47/86/589314786.db2.gz ICKLEXNAGONITJ-NXEZZACHSA-N 1 0 238.287 -0.264 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863764071 589315622 /nfs/dbraw/zinc/31/56/22/589315622.db2.gz OWPGXULAKGMQKU-SECBINFHSA-N 1 0 227.308 -0.174 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863764072 589315810 /nfs/dbraw/zinc/31/58/10/589315810.db2.gz OWPGXULAKGMQKU-VIFPVBQESA-N 1 0 227.308 -0.174 20 30 BBEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000863773657 589316049 /nfs/dbraw/zinc/31/60/49/589316049.db2.gz FIPVSOZFSRFBFC-BDAKNGLRSA-N 1 0 240.307 -0.590 20 30 BBEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000863773658 589316085 /nfs/dbraw/zinc/31/60/85/589316085.db2.gz FIPVSOZFSRFBFC-DTWKUNHWSA-N 1 0 240.307 -0.590 20 30 BBEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863773659 589316254 /nfs/dbraw/zinc/31/62/54/589316254.db2.gz FIPVSOZFSRFBFC-IUCAKERBSA-N 1 0 240.307 -0.590 20 30 BBEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000863773660 589316281 /nfs/dbraw/zinc/31/62/81/589316281.db2.gz FIPVSOZFSRFBFC-RKDXNWHRSA-N 1 0 240.307 -0.590 20 30 BBEDRO C#CCCCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863832803 589321865 /nfs/dbraw/zinc/32/18/65/589321865.db2.gz FLDVHWMPVFHMLT-NSHDSACASA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863832848 589322375 /nfs/dbraw/zinc/32/23/75/589322375.db2.gz GZQRUWDOIXKUCU-MNOVXSKESA-N 1 0 240.303 -0.793 20 30 BBEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863832849 589321720 /nfs/dbraw/zinc/32/17/20/589321720.db2.gz GZQRUWDOIXKUCU-QWRGUYRKSA-N 1 0 240.303 -0.793 20 30 BBEDRO N#Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)o1 ZINC000863833105 589322055 /nfs/dbraw/zinc/32/20/55/589322055.db2.gz JEYSXHOYURKJKC-VIFPVBQESA-N 1 0 249.270 -0.052 20 30 BBEDRO C#CCOCCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863833946 589322218 /nfs/dbraw/zinc/32/22/18/589322218.db2.gz YWYSHQRGGCEBOD-NSHDSACASA-N 1 0 240.303 -0.791 20 30 BBEDRO O=C(C#CC1CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000863834315 589322236 /nfs/dbraw/zinc/32/22/36/589322236.db2.gz GXPKCVPWDBZOIZ-NSHDSACASA-N 1 0 222.288 -0.417 20 30 BBEDRO CC(C)C#CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863835004 589321891 /nfs/dbraw/zinc/32/18/91/589321891.db2.gz PCQAZELNULPODE-NSHDSACASA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000863918654 589326118 /nfs/dbraw/zinc/32/61/18/589326118.db2.gz NAUPDVFTJADUIT-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000863918655 589326147 /nfs/dbraw/zinc/32/61/47/589326147.db2.gz NAUPDVFTJADUIT-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCC(CC#C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863940402 589328158 /nfs/dbraw/zinc/32/81/58/589328158.db2.gz CRGRPCKAGORXGM-CYBMUJFWSA-N 1 0 248.326 -0.168 20 30 BBEDRO C#CCC(CC#C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863944128 589328786 /nfs/dbraw/zinc/32/87/86/589328786.db2.gz CRGRPCKAGORXGM-ZDUSSCGKSA-N 1 0 248.326 -0.168 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(CC#N)C1 ZINC000864068429 589338495 /nfs/dbraw/zinc/33/84/95/589338495.db2.gz RFOIXGDDVQCLQF-CMPLNLGQSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(CC#N)C1 ZINC000864068430 589338542 /nfs/dbraw/zinc/33/85/42/589338542.db2.gz RFOIXGDDVQCLQF-JQWIXIFHSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(CC#N)C1 ZINC000864068431 589338503 /nfs/dbraw/zinc/33/85/03/589338503.db2.gz RFOIXGDDVQCLQF-PWSUYJOCSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(CC#N)C1 ZINC000864068432 589338243 /nfs/dbraw/zinc/33/82/43/589338243.db2.gz RFOIXGDDVQCLQF-ZYHUDNBSSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[NH+]=C(NCCOC)NC[C@H](O)C(F)(F)F ZINC000864236505 589348536 /nfs/dbraw/zinc/34/85/36/589348536.db2.gz MTQCCHFBKMANCC-LURJTMIESA-N 1 0 243.229 -0.279 20 30 BBEDRO C[NH+]=C(NCCOC)NC[C@@H](O)C(F)(F)F ZINC000864236508 589348582 /nfs/dbraw/zinc/34/85/82/589348582.db2.gz MTQCCHFBKMANCC-ZCFIWIBFSA-N 1 0 243.229 -0.279 20 30 BBEDRO CCON(CC)C(=O)CNC(NC)=[NH+]C ZINC000864354958 589355243 /nfs/dbraw/zinc/35/52/43/589355243.db2.gz BAYXOYNTHKSUSN-UHFFFAOYSA-N 1 0 216.285 -0.419 20 30 BBEDRO CCNC(NCCN1CC[C@@H](O)C1)=[NH+]CC ZINC000864355594 589354894 /nfs/dbraw/zinc/35/48/94/589354894.db2.gz IEQMGLKWFVPZGT-SNVBAGLBSA-N 1 0 228.340 -0.372 20 30 BBEDRO CCNC(N[C@H]1C[C@H](C(N)=O)C1)=[NH+]CC ZINC000864355963 589354247 /nfs/dbraw/zinc/35/42/47/589354247.db2.gz LPRARAUPQYCIKM-ZKCHVHJHSA-N 1 0 212.297 -0.175 20 30 BBEDRO CNC(NC[C@H](O)[C@H]1CCCO1)=[NH+]C ZINC000864356495 589355296 /nfs/dbraw/zinc/35/52/96/589355296.db2.gz QAKPXCSJINQRJC-JGVFFNPUSA-N 1 0 201.270 -0.679 20 30 BBEDRO CNC(NC[C@H](O)[C@@H]1CCCO1)=[NH+]C ZINC000864356496 589354995 /nfs/dbraw/zinc/35/49/95/589354995.db2.gz QAKPXCSJINQRJC-YUMQZZPRSA-N 1 0 201.270 -0.679 20 30 BBEDRO CCNC(NCCOCC(=O)OC)=[NH+]CC ZINC000864356975 589355257 /nfs/dbraw/zinc/35/52/57/589355257.db2.gz RJHFGJHGZLSXIF-UHFFFAOYSA-N 1 0 231.296 -0.249 20 30 BBEDRO CNC(NCCN(C)CC(F)F)=[NH+]C ZINC000864357945 589355632 /nfs/dbraw/zinc/35/56/32/589355632.db2.gz BBVSXAIOALUNSC-UHFFFAOYSA-N 1 0 208.256 -0.022 20 30 BBEDRO CNC(N[C@H]1CC[N@H+](CC(C)(C)O)C1)=[NH+]C ZINC000864358078 589355590 /nfs/dbraw/zinc/35/55/90/589355590.db2.gz HHRVWZBSJYUOCQ-VIFPVBQESA-N 1 0 228.340 -0.374 20 30 BBEDRO CNC(NC1CN(c2ccncn2)C1)=[NH+]C ZINC000864358134 589355424 /nfs/dbraw/zinc/35/54/24/589355424.db2.gz KXTKRGOLECEYRV-UHFFFAOYSA-N 1 0 220.280 -0.540 20 30 BBEDRO CNC(NCC(C)(C)CS(N)(=O)=O)=[NH+]C ZINC000864358176 589355385 /nfs/dbraw/zinc/35/53/85/589355385.db2.gz NHAHAKSPQBPQHE-UHFFFAOYSA-N 1 0 236.341 -0.904 20 30 BBEDRO CNC(NCc1ccnc(-n2cncn2)c1)=[NH+]C ZINC000864358181 589355471 /nfs/dbraw/zinc/35/54/71/589355471.db2.gz NLZIOJWIPIXZAJ-UHFFFAOYSA-N 1 0 245.290 -0.043 20 30 BBEDRO CNC(NC[C@]12COC(=O)N1CCOC2)=[NH+]C ZINC000864358286 589355461 /nfs/dbraw/zinc/35/54/61/589355461.db2.gz RSWVINREEPPXIN-JTQLQIEISA-N 1 0 242.279 -0.998 20 30 BBEDRO CNC(NC[C@@]12COC(=O)N1CCOC2)=[NH+]C ZINC000864358287 589355681 /nfs/dbraw/zinc/35/56/81/589355681.db2.gz RSWVINREEPPXIN-SNVBAGLBSA-N 1 0 242.279 -0.998 20 30 BBEDRO C#CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000864408006 589359491 /nfs/dbraw/zinc/35/94/91/589359491.db2.gz SAQQINXAVPKDAL-JTQLQIEISA-N 1 0 239.319 -0.236 20 30 BBEDRO C[NH+](C)CCNC(=O)[C@@]1(C#N)CCCOC1 ZINC000864415793 589360731 /nfs/dbraw/zinc/36/07/31/589360731.db2.gz HCEWDHKINMASNH-LLVKDONJSA-N 1 0 225.292 -0.015 20 30 BBEDRO C[NH+](C)CCNC(=O)[C@]1(C#N)CCCOC1 ZINC000864415794 589360484 /nfs/dbraw/zinc/36/04/84/589360484.db2.gz HCEWDHKINMASNH-NSHDSACASA-N 1 0 225.292 -0.015 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864461543 589369062 /nfs/dbraw/zinc/36/90/62/589369062.db2.gz FDEFLKXFESJPGR-HTQZYQBOSA-N 1 0 210.281 -0.189 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864461618 589369060 /nfs/dbraw/zinc/36/90/60/589369060.db2.gz FDEFLKXFESJPGR-JGVFFNPUSA-N 1 0 210.281 -0.189 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864461620 589369173 /nfs/dbraw/zinc/36/91/73/589369173.db2.gz FDEFLKXFESJPGR-SFYZADRCSA-N 1 0 210.281 -0.189 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864461622 589369189 /nfs/dbraw/zinc/36/91/89/589369189.db2.gz FDEFLKXFESJPGR-YUMQZZPRSA-N 1 0 210.281 -0.189 20 30 BBEDRO CC[C@@H]1CCN(C(=[NH2+])NCC(=O)NCC#N)C1 ZINC000864469165 589372347 /nfs/dbraw/zinc/37/23/47/589372347.db2.gz RIDWZZOLUCXPJK-SECBINFHSA-N 1 0 237.307 -0.118 20 30 BBEDRO CC[C@H]1CCN(C(=[NH2+])NCC(=O)NCC#N)C1 ZINC000864469166 589372527 /nfs/dbraw/zinc/37/25/27/589372527.db2.gz RIDWZZOLUCXPJK-VIFPVBQESA-N 1 0 237.307 -0.118 20 30 BBEDRO C#CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000864550711 589378176 /nfs/dbraw/zinc/37/81/76/589378176.db2.gz NUORMTAYLKMKHE-UHFFFAOYSA-N 1 0 220.276 -0.192 20 30 BBEDRO N#Cc1cc(C(=O)N2CCN(CCO)CC2)co1 ZINC000864814375 589395832 /nfs/dbraw/zinc/39/58/32/589395832.db2.gz IDLQEJLZHBYQJE-UHFFFAOYSA-N 1 0 249.270 -0.099 20 30 BBEDRO C#CCCN1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000865084552 589408390 /nfs/dbraw/zinc/40/83/90/589408390.db2.gz CQSDWYIZSUXJID-UHFFFAOYSA-N 1 0 247.302 -0.485 20 30 BBEDRO C#CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000865343844 589422779 /nfs/dbraw/zinc/42/27/79/589422779.db2.gz UCOAWMYYRLLMGL-UHFFFAOYSA-N 1 0 211.265 -0.573 20 30 BBEDRO C#CCNC(=O)N(C)CCOCC[NH2+]C ZINC000865344085 589422673 /nfs/dbraw/zinc/42/26/73/589422673.db2.gz YSIUZXCGFUHZHY-UHFFFAOYSA-N 1 0 213.281 -0.503 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)c1nccc(N)n1 ZINC000866004036 589472300 /nfs/dbraw/zinc/47/23/00/589472300.db2.gz QSWUNLHKYHNEAB-UHFFFAOYSA-N 1 0 247.302 -0.426 20 30 BBEDRO C#CCNS(=O)(=O)CCC[NH+](C)C ZINC000866414000 589491125 /nfs/dbraw/zinc/49/11/25/589491125.db2.gz ZFMQXDDKOAXDLH-UHFFFAOYSA-N 1 0 204.295 -0.509 20 30 BBEDRO C#CCCNS(=O)(=O)CCC[NH+](C)C ZINC000866785061 589518759 /nfs/dbraw/zinc/51/87/59/589518759.db2.gz OCWGLPQFFKXKJD-UHFFFAOYSA-N 1 0 218.322 -0.119 20 30 BBEDRO C#CCCNS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000866785416 589518724 /nfs/dbraw/zinc/51/87/24/589518724.db2.gz WAHJAGHTHZEJRJ-JTQLQIEISA-N 1 0 246.332 -0.740 20 30 BBEDRO C#CCCNS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000866785417 589518820 /nfs/dbraw/zinc/51/88/20/589518820.db2.gz WAHJAGHTHZEJRJ-SNVBAGLBSA-N 1 0 246.332 -0.740 20 30 BBEDRO C#CCN(CC#C)S(=O)(=O)CCC[NH+](C)C ZINC000866901367 583619636 /nfs/dbraw/zinc/61/96/36/583619636.db2.gz CRPWLHHSYXXEOV-UHFFFAOYSA-N 1 0 242.344 -0.164 20 30 BBEDRO C#CCOCCNS(=O)(=O)CCC[NH+](C)C ZINC000867095054 587719174 /nfs/dbraw/zinc/71/91/74/587719174.db2.gz WFTMLWVPMVXQBY-UHFFFAOYSA-N 1 0 248.348 -0.493 20 30 BBEDRO C#CCN(C)S(=O)(=O)CCC[NH+](C)C ZINC000867177630 587834184 /nfs/dbraw/zinc/83/41/84/587834184.db2.gz WZIWKFITCADKOI-UHFFFAOYSA-N 1 0 218.322 -0.167 20 30 BBEDRO C#C[C@@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000867198273 587843081 /nfs/dbraw/zinc/84/30/81/587843081.db2.gz HVEODCBMTRVABZ-SECBINFHSA-N 1 0 218.322 -0.121 20 30 BBEDRO C#C[C@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000867198314 587843040 /nfs/dbraw/zinc/84/30/40/587843040.db2.gz HVEODCBMTRVABZ-VIFPVBQESA-N 1 0 218.322 -0.121 20 30 BBEDRO CN1CCO[C@@H](CS(=O)(=O)NCCC#N)C1 ZINC000867201046 587843960 /nfs/dbraw/zinc/84/39/60/587843960.db2.gz ARABEFOQHCRFDR-SECBINFHSA-N 1 0 247.320 -0.850 20 30 BBEDRO CN1CCO[C@H](CS(=O)(=O)NCCC#N)C1 ZINC000867201052 587844090 /nfs/dbraw/zinc/84/40/90/587844090.db2.gz ARABEFOQHCRFDR-VIFPVBQESA-N 1 0 247.320 -0.850 20 30 BBEDRO C[NH+](C)CCCS(=O)(=O)NCCC#N ZINC000867202195 587845097 /nfs/dbraw/zinc/84/50/97/587845097.db2.gz RVXRNDKTXHDGOO-UHFFFAOYSA-N 1 0 219.310 -0.229 20 30 BBEDRO C#CCN(CC#N)S(=O)(=O)CCC[NH+](C)C ZINC000867226194 587862350 /nfs/dbraw/zinc/86/23/50/587862350.db2.gz IUVIOZGVJVWDRQ-UHFFFAOYSA-N 1 0 243.332 -0.273 20 30 BBEDRO C[NH+](C)CCCS(=O)(=O)O[C@H]1CNOC1 ZINC000867257292 587950497 /nfs/dbraw/zinc/95/04/97/587950497.db2.gz TWEQHTSNNWOIDX-QMMMGPOBSA-N 1 0 238.309 -0.812 20 30 BBEDRO C#C[C@@H](CO)NS(=O)(=O)CC[NH+](CC)CC ZINC000867340820 588156080 /nfs/dbraw/zinc/15/60/80/588156080.db2.gz CTHDTRXHARUHRL-JTQLQIEISA-N 1 0 248.348 -0.758 20 30 BBEDRO C#C[C@H](CO)NS(=O)(=O)CC[NH+](CC)CC ZINC000867340821 588156125 /nfs/dbraw/zinc/15/61/25/588156125.db2.gz CTHDTRXHARUHRL-SNVBAGLBSA-N 1 0 248.348 -0.758 20 30 BBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2coc(C#N)c2)C1 ZINC000867420310 588265892 /nfs/dbraw/zinc/26/58/92/588265892.db2.gz SYFHOJLQHMEUAT-GFCCVEGCSA-N 1 0 249.270 -0.052 20 30 BBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2coc(C#N)c2)C1 ZINC000867420311 588265950 /nfs/dbraw/zinc/26/59/50/588265950.db2.gz SYFHOJLQHMEUAT-LBPRGKRZSA-N 1 0 249.270 -0.052 20 30 BBEDRO C#CCCOC(=O)N1CCN(C)C[C@H]1CO ZINC000867538425 589524618 /nfs/dbraw/zinc/52/46/18/589524618.db2.gz LAMNCBSVQVMDNS-JTQLQIEISA-N 1 0 226.276 -0.245 20 30 BBEDRO C#CCCOC(=O)N1CCN(C)C[C@@H]1CO ZINC000867538426 589524663 /nfs/dbraw/zinc/52/46/63/589524663.db2.gz LAMNCBSVQVMDNS-SNVBAGLBSA-N 1 0 226.276 -0.245 20 30 BBEDRO N#C[C@]1(F)CCN(C(=O)[C@H](O)c2cnc[nH]2)C1 ZINC000867686340 589531036 /nfs/dbraw/zinc/53/10/36/589531036.db2.gz OBGYDXAEZARZQI-PSASIEDQSA-N 1 0 238.222 -0.093 20 30 BBEDRO N#C[C@@]1(F)CCN(C(=O)[C@H](O)c2cnc[nH]2)C1 ZINC000867686341 589530831 /nfs/dbraw/zinc/53/08/31/589530831.db2.gz OBGYDXAEZARZQI-SCZZXKLOSA-N 1 0 238.222 -0.093 20 30 BBEDRO N#C[C@]1(F)CCN(C(=O)[C@@H](O)c2cnc[nH]2)C1 ZINC000867686342 589531003 /nfs/dbraw/zinc/53/10/03/589531003.db2.gz OBGYDXAEZARZQI-WCBMZHEXSA-N 1 0 238.222 -0.093 20 30 BBEDRO N#C[C@@]1(F)CCN(C(=O)[C@@H](O)c2cnc[nH]2)C1 ZINC000867686343 589531057 /nfs/dbraw/zinc/53/10/57/589531057.db2.gz OBGYDXAEZARZQI-WPRPVWTQSA-N 1 0 238.222 -0.093 20 30 BBEDRO N#Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)co1 ZINC000867979403 589542269 /nfs/dbraw/zinc/54/22/69/589542269.db2.gz IALDIJOHZYGAEE-JTQLQIEISA-N 1 0 235.243 -0.131 20 30 BBEDRO N#Cc1cc(C(=O)NC[C@H]2C[NH2+]CCO2)co1 ZINC000867979417 589542328 /nfs/dbraw/zinc/54/23/28/589542328.db2.gz IALDIJOHZYGAEE-SNVBAGLBSA-N 1 0 235.243 -0.131 20 30 BBEDRO Cn1cc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000868169793 589550972 /nfs/dbraw/zinc/55/09/72/589550972.db2.gz BEPXZTJDRQNSQX-APPZFPTMSA-N 1 0 234.263 -0.347 20 30 BBEDRO Cn1cc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000868169799 589550632 /nfs/dbraw/zinc/55/06/32/589550632.db2.gz BEPXZTJDRQNSQX-CBAPKCEASA-N 1 0 234.263 -0.347 20 30 BBEDRO Cn1cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000868169800 589550846 /nfs/dbraw/zinc/55/08/46/589550846.db2.gz BEPXZTJDRQNSQX-IONNQARKSA-N 1 0 234.263 -0.347 20 30 BBEDRO Cn1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000868169802 589550914 /nfs/dbraw/zinc/55/09/14/589550914.db2.gz BEPXZTJDRQNSQX-VXNVDRBHSA-N 1 0 234.263 -0.347 20 30 BBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1coc(C#N)c1 ZINC000868345837 712622291 /nfs/dbraw/zinc/62/22/91/712622291.db2.gz QWWKCXLNLYBSGG-SECBINFHSA-N 1 0 237.259 -0.196 20 30 BBEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1coc(C#N)c1 ZINC000868345838 712622225 /nfs/dbraw/zinc/62/22/25/712622225.db2.gz QWWKCXLNLYBSGG-VIFPVBQESA-N 1 0 237.259 -0.196 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000868399194 589557071 /nfs/dbraw/zinc/55/70/71/589557071.db2.gz FTDGJODXBPNPKS-NXEZZACHSA-N 1 0 237.303 -0.869 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868401646 589557356 /nfs/dbraw/zinc/55/73/56/589557356.db2.gz ULKIEVGRCFTPMQ-AOOOYVTPSA-N 1 0 235.287 -0.959 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000868401906 589557108 /nfs/dbraw/zinc/55/71/08/589557108.db2.gz ZLXWAQCHEXZLCF-BDAKNGLRSA-N 1 0 223.276 -0.974 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000868401915 589557077 /nfs/dbraw/zinc/55/70/77/589557077.db2.gz ZLXWAQCHEXZLCF-DTWKUNHWSA-N 1 0 223.276 -0.974 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000868401916 589557126 /nfs/dbraw/zinc/55/71/26/589557126.db2.gz ZLXWAQCHEXZLCF-IUCAKERBSA-N 1 0 223.276 -0.974 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000868401918 589557233 /nfs/dbraw/zinc/55/72/33/589557233.db2.gz ZLXWAQCHEXZLCF-RKDXNWHRSA-N 1 0 223.276 -0.974 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000868413756 589557738 /nfs/dbraw/zinc/55/77/38/589557738.db2.gz DESTVPQYGZTUJG-SNVBAGLBSA-N 1 0 237.303 -0.582 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868421386 589557776 /nfs/dbraw/zinc/55/77/76/589557776.db2.gz KHCPXWOXYCNIIG-GHMZBOCLSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868421389 589557483 /nfs/dbraw/zinc/55/74/83/589557483.db2.gz KHCPXWOXYCNIIG-MNOVXSKESA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868421390 589557547 /nfs/dbraw/zinc/55/75/47/589557547.db2.gz KHCPXWOXYCNIIG-QWRGUYRKSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868421391 589557935 /nfs/dbraw/zinc/55/79/35/589557935.db2.gz KHCPXWOXYCNIIG-WDEREUQCSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)CCc1cn[nH]n1 ZINC000868581203 589565558 /nfs/dbraw/zinc/56/55/58/589565558.db2.gz DQJRXSXXOXBUEE-UHFFFAOYSA-N 1 0 249.318 -0.191 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)Cc1nc[nH]n1 ZINC000868581537 589565531 /nfs/dbraw/zinc/56/55/31/589565531.db2.gz IWFUXLCVWFJWBR-UHFFFAOYSA-N 1 0 235.291 -0.582 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC(=O)O1 ZINC000868581956 589565437 /nfs/dbraw/zinc/56/54/37/589565437.db2.gz PJWUJDQCARBZIA-SNVBAGLBSA-N 1 0 238.287 -0.237 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000868673368 589569815 /nfs/dbraw/zinc/56/98/15/589569815.db2.gz WKKNRFKAYOPGNK-GARJFASQSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000868673370 589569774 /nfs/dbraw/zinc/56/97/74/589569774.db2.gz WKKNRFKAYOPGNK-OUAUKWLOSA-N 1 0 224.304 -0.173 20 30 BBEDRO C=C(CO)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000868945319 589582933 /nfs/dbraw/zinc/58/29/33/589582933.db2.gz APAPDLVFDBBDLQ-LLVKDONJSA-N 1 0 242.319 -0.502 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCOC1=O ZINC000869095920 589588054 /nfs/dbraw/zinc/58/80/54/589588054.db2.gz FZFANTCNIDNDSX-QMMMGPOBSA-N 1 0 212.249 -0.464 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCCn1cncn1 ZINC000869219248 589592855 /nfs/dbraw/zinc/59/28/55/589592855.db2.gz VPHNDNMDSTYZEO-UHFFFAOYSA-N 1 0 237.307 -0.098 20 30 BBEDRO C#CCONC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000869252564 589594265 /nfs/dbraw/zinc/59/42/65/589594265.db2.gz JLUIWJVNFFDPSP-UHFFFAOYSA-N 1 0 236.275 -0.261 20 30 BBEDRO N#Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)co1 ZINC000869462809 589607376 /nfs/dbraw/zinc/60/73/76/589607376.db2.gz ZAWMESFUGTXLRD-SNVBAGLBSA-N 1 0 249.270 -0.052 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCN(CC)C1=O ZINC000869689913 589622057 /nfs/dbraw/zinc/62/20/57/589622057.db2.gz APKWTXJGJSPPKE-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(CC)C1=O ZINC000869689914 589622044 /nfs/dbraw/zinc/62/20/44/589622044.db2.gz APKWTXJGJSPPKE-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO CON=CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869776908 589629481 /nfs/dbraw/zinc/62/94/81/589629481.db2.gz AVKOYJZLHVXEGT-VIFPVBQESA-N 1 0 243.307 -0.420 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869777287 589629850 /nfs/dbraw/zinc/62/98/50/589629850.db2.gz DAHXQWQKHJEXTN-UWVGGRQHSA-N 1 0 242.319 -0.505 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869777288 589629675 /nfs/dbraw/zinc/62/96/75/589629675.db2.gz DAHXQWQKHJEXTN-VHSXEESVSA-N 1 0 242.319 -0.505 20 30 BBEDRO CC#CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869778418 589629798 /nfs/dbraw/zinc/62/97/98/589629798.db2.gz JLRBCNGDUVUYIO-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CC#N)C1 ZINC000869778696 589629810 /nfs/dbraw/zinc/62/98/10/589629810.db2.gz NFOPXYPGPNNJHD-VIFPVBQESA-N 1 0 225.292 -0.139 20 30 BBEDRO C#CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869783368 589629498 /nfs/dbraw/zinc/62/94/98/589629498.db2.gz GPVQRMJMFIWLLL-VIFPVBQESA-N 1 0 210.277 -0.419 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](CO)C1 ZINC000869871888 589634277 /nfs/dbraw/zinc/63/42/77/589634277.db2.gz KJBBJZSFDKLZNZ-AOOOYVTPSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@](C)(CO)COC ZINC000870015748 589642634 /nfs/dbraw/zinc/64/26/34/589642634.db2.gz MNMZZDRORGGYBO-LLVKDONJSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@](C)(CO)COC ZINC000870015749 589642658 /nfs/dbraw/zinc/64/26/58/589642658.db2.gz MNMZZDRORGGYBO-NSHDSACASA-N 1 0 230.308 -0.382 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)NC2COC2)CC1 ZINC000870867247 589692504 /nfs/dbraw/zinc/69/25/04/589692504.db2.gz JMVLOXBWJNCRQF-UHFFFAOYSA-N 1 0 222.288 -0.153 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870912896 589696896 /nfs/dbraw/zinc/69/68/96/589696896.db2.gz QBZQZLCISLLXFV-AOOOYVTPSA-N 1 0 239.319 -0.078 20 30 BBEDRO N#Cc1cc(C(=O)NCCN2CC[NH2+]CC2)co1 ZINC000870932373 589698103 /nfs/dbraw/zinc/69/81/03/589698103.db2.gz FRWNDOHGIXEFLK-UHFFFAOYSA-N 1 0 248.286 -0.214 20 30 BBEDRO CN1CCN(C(=O)c2coc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000870938297 589698689 /nfs/dbraw/zinc/69/86/89/589698689.db2.gz KMBWUCNDAHCGOX-JTQLQIEISA-N 1 0 248.286 -0.134 20 30 BBEDRO CN1CCN(C(=O)c2coc(C#N)c2)[C@H](C[NH3+])C1 ZINC000870938298 589698882 /nfs/dbraw/zinc/69/88/82/589698882.db2.gz KMBWUCNDAHCGOX-SNVBAGLBSA-N 1 0 248.286 -0.134 20 30 BBEDRO N#CCCN1CCN(C(=O)[C@H]2C[C@H]2[NH3+])CC1 ZINC000870983535 589705587 /nfs/dbraw/zinc/70/55/87/589705587.db2.gz VRAHOSWGDFBOIC-VHSXEESVSA-N 1 0 222.292 -0.609 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COCC[C@H]1O ZINC000871190376 589743097 /nfs/dbraw/zinc/74/30/97/589743097.db2.gz GBMLVZZMPMENAL-NXEZZACHSA-N 1 0 228.292 -0.630 20 30 BBEDRO COC(=O)CCN(CC#N)C(=O)C[NH+](C)C ZINC000871341046 589755646 /nfs/dbraw/zinc/75/56/46/589755646.db2.gz NDJWUDVCKRWKRC-UHFFFAOYSA-N 1 0 227.264 -0.537 20 30 BBEDRO COC(=O)CCN(CC#N)C(=O)[C@H](C)[NH+](C)C ZINC000871342084 589755983 /nfs/dbraw/zinc/75/59/83/589755983.db2.gz FUEVJFCYEWENLG-VIFPVBQESA-N 1 0 241.291 -0.148 20 30 BBEDRO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000871599142 589772197 /nfs/dbraw/zinc/77/21/97/589772197.db2.gz KKHJPKJBWZPUEE-AXFHLTTASA-N 1 0 248.282 -0.675 20 30 BBEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000871599143 589772152 /nfs/dbraw/zinc/77/21/52/589772152.db2.gz KKHJPKJBWZPUEE-OUAUKWLOSA-N 1 0 248.282 -0.675 20 30 BBEDRO C#CCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871600310 589772193 /nfs/dbraw/zinc/77/21/93/589772193.db2.gz NRXISUZHLMEGGR-GXSJLCMTSA-N 1 0 207.277 -0.130 20 30 BBEDRO CC[C@H]1COCCN1CCNC(NC)=[NH+]C ZINC000871603510 589773974 /nfs/dbraw/zinc/77/39/74/589773974.db2.gz WIQUWQZECNQFNT-JTQLQIEISA-N 1 0 228.340 -0.108 20 30 BBEDRO CC[C@@H]1COCCN1CCNC(NC)=[NH+]C ZINC000871603511 589774412 /nfs/dbraw/zinc/77/44/12/589774412.db2.gz WIQUWQZECNQFNT-SNVBAGLBSA-N 1 0 228.340 -0.108 20 30 BBEDRO C#CCOCCNC(=[NH2+])N(C)CCOC ZINC000871604350 589773895 /nfs/dbraw/zinc/77/38/95/589773895.db2.gz AVKXZRGRZQWYKR-UHFFFAOYSA-N 1 0 213.281 -0.261 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])N(C)CCOC ZINC000871604424 589774147 /nfs/dbraw/zinc/77/41/47/589774147.db2.gz CEBRTJFIMFECII-UHFFFAOYSA-N 1 0 228.296 -0.609 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872195060 589889494 /nfs/dbraw/zinc/88/94/94/589889494.db2.gz MYSJIHYXMMWLFU-GXFFZTMASA-N 1 0 249.314 -0.854 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872205710 589892356 /nfs/dbraw/zinc/89/23/56/589892356.db2.gz FQBFPNKPXHSJEV-JTQLQIEISA-N 1 0 215.293 -0.252 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872205711 589892156 /nfs/dbraw/zinc/89/21/56/589892156.db2.gz FQBFPNKPXHSJEV-SNVBAGLBSA-N 1 0 215.293 -0.252 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872214107 589894632 /nfs/dbraw/zinc/89/46/32/589894632.db2.gz NSXAWLNVPNZFMI-AGIUHOORSA-N 1 0 241.331 -0.128 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872214108 589894738 /nfs/dbraw/zinc/89/47/38/589894738.db2.gz NSXAWLNVPNZFMI-FRRDWIJNSA-N 1 0 241.331 -0.128 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872214109 589894902 /nfs/dbraw/zinc/89/49/02/589894902.db2.gz NSXAWLNVPNZFMI-JHJVBQTASA-N 1 0 241.331 -0.128 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000872214110 589894892 /nfs/dbraw/zinc/89/48/92/589894892.db2.gz NSXAWLNVPNZFMI-UPJWGTAASA-N 1 0 241.331 -0.128 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872214131 711789199 /nfs/dbraw/zinc/78/91/99/711789199.db2.gz OFWFVGFDMMJJBZ-NXEZZACHSA-N 1 0 215.293 -0.518 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872214132 711789175 /nfs/dbraw/zinc/78/91/75/711789175.db2.gz OFWFVGFDMMJJBZ-UWVGGRQHSA-N 1 0 215.293 -0.518 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872214133 711789179 /nfs/dbraw/zinc/78/91/79/711789179.db2.gz OFWFVGFDMMJJBZ-VHSXEESVSA-N 1 0 215.293 -0.518 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872214134 711789220 /nfs/dbraw/zinc/78/92/20/711789220.db2.gz OFWFVGFDMMJJBZ-ZJUUUORDSA-N 1 0 215.293 -0.518 20 30 BBEDRO CC(C)(O)C[C@@H](O)C[NH2+]CC#CCO ZINC000872214267 589894855 /nfs/dbraw/zinc/89/48/55/589894855.db2.gz RWLZJIQSGFKURW-SECBINFHSA-N 1 0 201.266 -0.906 20 30 BBEDRO CC(C)(O)C[C@H](O)C[NH2+]CC#CCO ZINC000872214268 589894523 /nfs/dbraw/zinc/89/45/23/589894523.db2.gz RWLZJIQSGFKURW-VIFPVBQESA-N 1 0 201.266 -0.906 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872214759 589894716 /nfs/dbraw/zinc/89/47/16/589894716.db2.gz DQLAZAVYMOVCRR-GRYCIOLGSA-N 1 0 227.304 -0.518 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872214760 589894619 /nfs/dbraw/zinc/89/46/19/589894619.db2.gz DQLAZAVYMOVCRR-IJLUTSLNSA-N 1 0 227.304 -0.518 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000872214761 589894703 /nfs/dbraw/zinc/89/47/03/589894703.db2.gz DQLAZAVYMOVCRR-UTUOFQBUSA-N 1 0 227.304 -0.518 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872214762 589894460 /nfs/dbraw/zinc/89/44/60/589894460.db2.gz DQLAZAVYMOVCRR-WOPDTQHZSA-N 1 0 227.304 -0.518 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872214977 589894843 /nfs/dbraw/zinc/89/48/43/589894843.db2.gz LTHCWQMLHIMDHB-BDAKNGLRSA-N 1 0 201.266 -0.908 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872214978 589894659 /nfs/dbraw/zinc/89/46/59/589894659.db2.gz LTHCWQMLHIMDHB-DTWKUNHWSA-N 1 0 201.266 -0.908 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872214979 589894685 /nfs/dbraw/zinc/89/46/85/589894685.db2.gz LTHCWQMLHIMDHB-IUCAKERBSA-N 1 0 201.266 -0.908 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872214980 589894566 /nfs/dbraw/zinc/89/45/66/589894566.db2.gz LTHCWQMLHIMDHB-RKDXNWHRSA-N 1 0 201.266 -0.908 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872215235 589894553 /nfs/dbraw/zinc/89/45/53/589894553.db2.gz UIXZFCKNZQLAEM-GHMZBOCLSA-N 1 0 229.320 -0.128 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872215236 589895391 /nfs/dbraw/zinc/89/53/91/589895391.db2.gz UIXZFCKNZQLAEM-MNOVXSKESA-N 1 0 229.320 -0.128 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872215237 589895498 /nfs/dbraw/zinc/89/54/98/589895498.db2.gz UIXZFCKNZQLAEM-QWRGUYRKSA-N 1 0 229.320 -0.128 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872215238 589895029 /nfs/dbraw/zinc/89/50/29/589895029.db2.gz UIXZFCKNZQLAEM-WDEREUQCSA-N 1 0 229.320 -0.128 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872216055 589895361 /nfs/dbraw/zinc/89/53/61/589895361.db2.gz NCVZXXLFVZNSTP-BDAKNGLRSA-N 1 0 203.282 -0.355 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872216056 589895210 /nfs/dbraw/zinc/89/52/10/589895210.db2.gz NCVZXXLFVZNSTP-RKDXNWHRSA-N 1 0 203.282 -0.355 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](CO)C1 ZINC000872218602 589896015 /nfs/dbraw/zinc/89/60/15/589896015.db2.gz QMKKLJASCKTRIT-AOOOYVTPSA-N 1 0 210.277 -0.514 20 30 BBEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2COC[C@@H]2O)cc1 ZINC000872219101 589895967 /nfs/dbraw/zinc/89/59/67/589895967.db2.gz VLCOMYUDUGZFJW-AGIUHOORSA-N 1 0 248.282 -0.059 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@@H](O)C(F)F ZINC000872221739 589896528 /nfs/dbraw/zinc/89/65/28/589896528.db2.gz JGWTXHBGNOUNSY-MRVPVSSYSA-N 1 0 234.246 -0.268 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@H](O)C(F)F ZINC000872221740 589896807 /nfs/dbraw/zinc/89/68/07/589896807.db2.gz JGWTXHBGNOUNSY-QMMMGPOBSA-N 1 0 234.246 -0.268 20 30 BBEDRO C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000872224373 589896996 /nfs/dbraw/zinc/89/69/96/589896996.db2.gz BZCAMKRXFBPVLY-AEJSXWLSSA-N 1 0 230.308 -0.382 20 30 BBEDRO C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000872224374 589897470 /nfs/dbraw/zinc/89/74/70/589897470.db2.gz BZCAMKRXFBPVLY-GUBZILKMSA-N 1 0 230.308 -0.382 20 30 BBEDRO C[C@H](O)[C@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000872224375 589897435 /nfs/dbraw/zinc/89/74/35/589897435.db2.gz BZCAMKRXFBPVLY-IVZWLZJFSA-N 1 0 230.308 -0.382 20 30 BBEDRO C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000872224376 589897035 /nfs/dbraw/zinc/89/70/35/589897035.db2.gz BZCAMKRXFBPVLY-LPEHRKFASA-N 1 0 230.308 -0.382 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@@H]1O ZINC000872224395 589897513 /nfs/dbraw/zinc/89/75/13/589897513.db2.gz CONLJURANPWLMI-UWVGGRQHSA-N 1 0 210.277 -0.371 20 30 BBEDRO CC(C)(C[NH2+]CCC#N)CS(N)(=O)=O ZINC000872234270 589898653 /nfs/dbraw/zinc/89/86/53/589898653.db2.gz NIAVYRHCIQJEOE-UHFFFAOYSA-N 1 0 219.310 -0.196 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872247508 589900161 /nfs/dbraw/zinc/90/01/61/589900161.db2.gz XRCJNRCFWMZZNW-MGCOHNPYSA-N 1 0 210.277 -0.514 20 30 BBEDRO C#CC[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872288920 589906532 /nfs/dbraw/zinc/90/65/32/589906532.db2.gz UATROBZGRTUKEC-UHFFFAOYSA-N 1 0 222.288 -0.009 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872312480 589908629 /nfs/dbraw/zinc/90/86/29/589908629.db2.gz HZZXHVGFAXLXNV-KOLCDFICSA-N 1 0 223.276 -0.073 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872319246 589911704 /nfs/dbraw/zinc/91/17/04/589911704.db2.gz BSLQPCLIRXGLDY-PHIMTYICSA-N 1 0 222.288 -0.296 20 30 BBEDRO N#CCCNC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872320551 589911657 /nfs/dbraw/zinc/91/16/57/589911657.db2.gz BETSCYHFTVRXBP-AOOOYVTPSA-N 1 0 223.276 -0.406 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872320670 589911182 /nfs/dbraw/zinc/91/11/82/589911182.db2.gz HHPFJZSQGANPDT-GARJFASQSA-N 1 0 222.288 -0.298 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872320671 589911943 /nfs/dbraw/zinc/91/19/43/589911943.db2.gz HHPFJZSQGANPDT-MXWKQRLJSA-N 1 0 222.288 -0.298 20 30 BBEDRO CCO[C@@H]1CC(N=NC(N)=[NH2+])[C@H]1OC ZINC000872341107 589914456 /nfs/dbraw/zinc/91/44/56/589914456.db2.gz CJZGFVPBWURHFX-RNFRBKRXSA-N 1 0 200.242 -0.351 20 30 BBEDRO C[NH+]1CCC(C=NNCCS(C)(=O)=O)CC1 ZINC000872352079 589916503 /nfs/dbraw/zinc/91/65/03/589916503.db2.gz CHTSDKSMLVELOL-UHFFFAOYSA-N 1 0 247.364 -0.052 20 30 BBEDRO C[NH+]1CCC(C=NN2C(=O)CNC2=O)CC1 ZINC000872361806 589919203 /nfs/dbraw/zinc/91/92/03/589919203.db2.gz QXRAMPSFOBFZIY-UHFFFAOYSA-N 1 0 224.264 -0.134 20 30 BBEDRO CCCn1cc(C=NNC2=[NH+]C[C@@H](C)N2)nn1 ZINC000872365037 589920637 /nfs/dbraw/zinc/92/06/37/589920637.db2.gz ZWIFTHWMLUHNKM-MRVPVSSYSA-N 1 0 235.295 -0.041 20 30 BBEDRO CCCn1cc(C=NNC2=[NH+]C[C@H](C)N2)nn1 ZINC000872365038 589920895 /nfs/dbraw/zinc/92/08/95/589920895.db2.gz ZWIFTHWMLUHNKM-QMMMGPOBSA-N 1 0 235.295 -0.041 20 30 BBEDRO Cc1ccnc(N)c1C=NNC1=[NH+]CCN1 ZINC000872385430 589929317 /nfs/dbraw/zinc/92/93/17/589929317.db2.gz GRLLKRQGOIBLTI-UHFFFAOYSA-N 1 0 218.264 -0.145 20 30 BBEDRO CC(=NNC1=[NH+]CCN1)c1cn(C)cn1 ZINC000872385465 589929390 /nfs/dbraw/zinc/92/93/90/589929390.db2.gz HOZSMJBSAJSLFQ-UHFFFAOYSA-N 1 0 206.253 -0.307 20 30 BBEDRO CCCn1cc(C=NNC2=[NH+]CCN2)nn1 ZINC000872385825 589929145 /nfs/dbraw/zinc/92/91/45/589929145.db2.gz QYFXIIDMFXUVDE-UHFFFAOYSA-N 1 0 221.268 -0.429 20 30 BBEDRO C[C@H]1C(N=NC2=NCC(=O)N2)CC[N@@H+]1C ZINC000872394406 589931600 /nfs/dbraw/zinc/93/16/00/589931600.db2.gz UOVMYRZUMNPTHZ-LURJTMIESA-N 1 0 209.253 -0.858 20 30 BBEDRO C[C@@H]1C(N=NC2=NCC(=O)N2)CC[N@@H+]1C ZINC000872394414 589931699 /nfs/dbraw/zinc/93/16/99/589931699.db2.gz UOVMYRZUMNPTHZ-ZCFIWIBFSA-N 1 0 209.253 -0.858 20 30 BBEDRO N#C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000874436569 590110084 /nfs/dbraw/zinc/11/00/84/590110084.db2.gz KYTDTQTWAPKSTC-JTQLQIEISA-N 1 0 223.276 -0.167 20 30 BBEDRO N#C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000874436570 590109951 /nfs/dbraw/zinc/10/99/51/590109951.db2.gz KYTDTQTWAPKSTC-SNVBAGLBSA-N 1 0 223.276 -0.167 20 30 BBEDRO C#CCN1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000874467631 590113931 /nfs/dbraw/zinc/11/39/31/590113931.db2.gz SAKCIUSEZXRFQQ-LLVKDONJSA-N 1 0 223.320 -0.286 20 30 BBEDRO CC[C@H]1COCCN1CCNC(=O)C=NOC ZINC000874708247 590124998 /nfs/dbraw/zinc/12/49/98/590124998.db2.gz KOUFGSHHXKBMDS-JTQLQIEISA-N 1 0 243.307 -0.154 20 30 BBEDRO CC[C@@H]1COCCN1CCNC(=O)C=NOC ZINC000874708248 590125257 /nfs/dbraw/zinc/12/52/57/590125257.db2.gz KOUFGSHHXKBMDS-SNVBAGLBSA-N 1 0 243.307 -0.154 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCN1CCOC[C@H]1CC ZINC000874708685 590125262 /nfs/dbraw/zinc/12/52/62/590125262.db2.gz PXFTWMRRKFHCGG-GHMZBOCLSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](O)C(=O)NCCN1CCOC[C@H]1CC ZINC000874708686 590125076 /nfs/dbraw/zinc/12/50/76/590125076.db2.gz PXFTWMRRKFHCGG-MNOVXSKESA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](O)C(=O)NCCN1CCOC[C@@H]1CC ZINC000874708687 590125073 /nfs/dbraw/zinc/12/50/73/590125073.db2.gz PXFTWMRRKFHCGG-QWRGUYRKSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@@H](O)C(=O)NCCN1CCOC[C@@H]1CC ZINC000874708688 590124871 /nfs/dbraw/zinc/12/48/71/590124871.db2.gz PXFTWMRRKFHCGG-WDEREUQCSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCCNC(=O)C1 ZINC000874858557 590148811 /nfs/dbraw/zinc/14/88/11/590148811.db2.gz CAROJUQFKWVHHY-UHFFFAOYSA-N 1 0 225.292 -0.547 20 30 BBEDRO C#CCCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000875320661 590162578 /nfs/dbraw/zinc/16/25/78/590162578.db2.gz XGBKADKFVSOCEE-LLVKDONJSA-N 1 0 239.319 -0.234 20 30 BBEDRO C#CCCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000875320662 590162492 /nfs/dbraw/zinc/16/24/92/590162492.db2.gz XGBKADKFVSOCEE-NSHDSACASA-N 1 0 239.319 -0.234 20 30 BBEDRO N#CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000875540422 645776845 /nfs/dbraw/zinc/77/68/45/645776845.db2.gz WPFVAVVBPDITJY-SECBINFHSA-N 1 0 226.280 -0.734 20 30 BBEDRO C#C[C@H](CC)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000875595012 590166360 /nfs/dbraw/zinc/16/63/60/590166360.db2.gz UYJHIQWNKPJYKO-GHMZBOCLSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#C[C@H](CC)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875595013 590166463 /nfs/dbraw/zinc/16/64/63/590166463.db2.gz UYJHIQWNKPJYKO-MNOVXSKESA-N 1 0 239.319 -0.236 20 30 BBEDRO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875595014 590166292 /nfs/dbraw/zinc/16/62/92/590166292.db2.gz UYJHIQWNKPJYKO-QWRGUYRKSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#C[C@@H](CC)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000875595015 590166460 /nfs/dbraw/zinc/16/64/60/590166460.db2.gz UYJHIQWNKPJYKO-WDEREUQCSA-N 1 0 239.319 -0.236 20 30 BBEDRO C=CCONC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000875650075 590167597 /nfs/dbraw/zinc/16/75/97/590167597.db2.gz CTBQEDZYVMUZQB-SECBINFHSA-N 1 0 229.280 -0.530 20 30 BBEDRO C=CCONC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000875650076 590167505 /nfs/dbraw/zinc/16/75/05/590167505.db2.gz CTBQEDZYVMUZQB-VIFPVBQESA-N 1 0 229.280 -0.530 20 30 BBEDRO C=C(C)CONC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875697695 590168331 /nfs/dbraw/zinc/16/83/31/590168331.db2.gz MMHUGXRMVRAARK-JTQLQIEISA-N 1 0 243.307 -0.140 20 30 BBEDRO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000875698800 590168519 /nfs/dbraw/zinc/16/85/19/590168519.db2.gz ATCHDYFFIZFYTL-NXEZZACHSA-N 1 0 243.307 -0.142 20 30 BBEDRO C=C[C@H](C)ONC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000875698801 590168664 /nfs/dbraw/zinc/16/86/64/590168664.db2.gz ATCHDYFFIZFYTL-VHSXEESVSA-N 1 0 243.307 -0.142 20 30 BBEDRO C=C(C)CONC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000875699355 590168645 /nfs/dbraw/zinc/16/86/45/590168645.db2.gz MMHUGXRMVRAARK-SNVBAGLBSA-N 1 0 243.307 -0.140 20 30 BBEDRO C=C[C@H](C)ONC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875699732 590168845 /nfs/dbraw/zinc/16/88/45/590168845.db2.gz ATCHDYFFIZFYTL-UWVGGRQHSA-N 1 0 243.307 -0.142 20 30 BBEDRO C=C[C@@H](C)ONC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875699733 590168814 /nfs/dbraw/zinc/16/88/14/590168814.db2.gz ATCHDYFFIZFYTL-ZJUUUORDSA-N 1 0 243.307 -0.142 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000875719187 590169406 /nfs/dbraw/zinc/16/94/06/590169406.db2.gz HHVILXGRBOWMOR-NXEZZACHSA-N 1 0 225.292 -0.626 20 30 BBEDRO C#C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875719188 590169510 /nfs/dbraw/zinc/16/95/10/590169510.db2.gz HHVILXGRBOWMOR-UWVGGRQHSA-N 1 0 225.292 -0.626 20 30 BBEDRO C#C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000875719189 590169430 /nfs/dbraw/zinc/16/94/30/590169430.db2.gz HHVILXGRBOWMOR-VHSXEESVSA-N 1 0 225.292 -0.626 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875719190 590169336 /nfs/dbraw/zinc/16/93/36/590169336.db2.gz HHVILXGRBOWMOR-ZJUUUORDSA-N 1 0 225.292 -0.626 20 30 BBEDRO C#CC[C@@H](COC)NC(=O)NCC[NH+](C)C ZINC000875925351 590177651 /nfs/dbraw/zinc/17/76/51/590177651.db2.gz PZUDMHOPNCDTRN-JTQLQIEISA-N 1 0 227.308 -0.115 20 30 BBEDRO C#CC[C@H](COC)NC(=O)NCC[NH+](C)C ZINC000875925352 590177859 /nfs/dbraw/zinc/17/78/59/590177859.db2.gz PZUDMHOPNCDTRN-SNVBAGLBSA-N 1 0 227.308 -0.115 20 30 BBEDRO O=C(C#CC1CC1)NCCCN1CC[NH2+]CC1 ZINC000876502974 590203580 /nfs/dbraw/zinc/20/35/80/590203580.db2.gz UTMDUEZVDINPIU-UHFFFAOYSA-N 1 0 235.331 -0.189 20 30 BBEDRO O=C(C#CC1CC1)NCCN1CC[NH2+]CC1 ZINC000876511048 590205594 /nfs/dbraw/zinc/20/55/94/590205594.db2.gz UOUNLQGEHCLVPS-UHFFFAOYSA-N 1 0 221.304 -0.579 20 30 BBEDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C#CC1CC1 ZINC000876511613 590205471 /nfs/dbraw/zinc/20/54/71/590205471.db2.gz PAOBNWNNNRSJPU-UHFFFAOYSA-N 1 0 249.314 -0.710 20 30 BBEDRO CN(CCN1CC[NH2+]CC1)C(=O)C#CC1CC1 ZINC000876526542 590208446 /nfs/dbraw/zinc/20/84/46/590208446.db2.gz WWEDZIGESZGXSX-UHFFFAOYSA-N 1 0 235.331 -0.237 20 30 BBEDRO CN1CCN(C(=O)C#CC2CC2)[C@H](C[NH3+])C1 ZINC000876542782 590212675 /nfs/dbraw/zinc/21/26/75/590212675.db2.gz UFCKQSSALNEDMX-LLVKDONJSA-N 1 0 221.304 -0.499 20 30 BBEDRO CN1CCN(C(=O)C#CC2CC2)[C@@H](C[NH3+])C1 ZINC000876542783 590212684 /nfs/dbraw/zinc/21/26/84/590212684.db2.gz UFCKQSSALNEDMX-NSHDSACASA-N 1 0 221.304 -0.499 20 30 BBEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000876542929 590212523 /nfs/dbraw/zinc/21/25/23/590212523.db2.gz AGFAZPFKEZBRJK-GXSJLCMTSA-N 1 0 222.288 -0.026 20 30 BBEDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000876542930 590212793 /nfs/dbraw/zinc/21/27/93/590212793.db2.gz AGFAZPFKEZBRJK-KOLCDFICSA-N 1 0 222.288 -0.026 20 30 BBEDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000876542931 590212635 /nfs/dbraw/zinc/21/26/35/590212635.db2.gz AGFAZPFKEZBRJK-MWLCHTKSSA-N 1 0 222.288 -0.026 20 30 BBEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000876542932 584886019 /nfs/dbraw/zinc/88/60/19/584886019.db2.gz AGFAZPFKEZBRJK-ONGXEEELSA-N 1 0 222.288 -0.026 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC(=O)C1 ZINC000876554790 590215049 /nfs/dbraw/zinc/21/50/49/590215049.db2.gz SMAKGOQRDZQSAU-SSDOTTSWSA-N 1 0 231.683 -0.585 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC(=O)C1 ZINC000876554791 590215252 /nfs/dbraw/zinc/21/52/52/590215252.db2.gz SMAKGOQRDZQSAU-ZETCQYMHSA-N 1 0 231.683 -0.585 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCNC(C)=O ZINC000876556094 590214987 /nfs/dbraw/zinc/21/49/87/590214987.db2.gz KIDYQZHSXBGXNL-MRVPVSSYSA-N 1 0 233.699 -0.291 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCNC(C)=O ZINC000876556102 590215400 /nfs/dbraw/zinc/21/54/00/590215400.db2.gz KIDYQZHSXBGXNL-QMMMGPOBSA-N 1 0 233.699 -0.291 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)NCC ZINC000876561533 590215866 /nfs/dbraw/zinc/21/58/66/590215866.db2.gz LIISVJFICVJQCA-SSDOTTSWSA-N 1 0 233.699 -0.291 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)NCC ZINC000876561535 590215916 /nfs/dbraw/zinc/21/59/16/590215916.db2.gz LIISVJFICVJQCA-ZETCQYMHSA-N 1 0 233.699 -0.291 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)N(C)C ZINC000876562336 590215204 /nfs/dbraw/zinc/21/52/04/590215204.db2.gz YUKMPTYGOMUETR-SSDOTTSWSA-N 1 0 233.699 -0.339 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)N(C)C ZINC000876562337 590215404 /nfs/dbraw/zinc/21/54/04/590215404.db2.gz YUKMPTYGOMUETR-ZETCQYMHSA-N 1 0 233.699 -0.339 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)NC1CC1 ZINC000876563381 590216446 /nfs/dbraw/zinc/21/64/46/590216446.db2.gz FHOUQIPZTVNIQQ-MRVPVSSYSA-N 1 0 245.710 -0.149 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)NC1CC1 ZINC000876563382 590216440 /nfs/dbraw/zinc/21/64/40/590216440.db2.gz FHOUQIPZTVNIQQ-QMMMGPOBSA-N 1 0 245.710 -0.149 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)OC ZINC000876599275 590220503 /nfs/dbraw/zinc/22/05/03/590220503.db2.gz YZCWHCOUFZWOBZ-LURJTMIESA-N 1 0 220.656 -0.255 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)OC ZINC000876599276 590220534 /nfs/dbraw/zinc/22/05/34/590220534.db2.gz YZCWHCOUFZWOBZ-ZCFIWIBFSA-N 1 0 220.656 -0.255 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(=O)NC ZINC000876602645 590220751 /nfs/dbraw/zinc/22/07/51/590220751.db2.gz SCAOKOPBLZCRHS-SSDOTTSWSA-N 1 0 233.699 -0.291 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(=O)NC ZINC000876602647 590220780 /nfs/dbraw/zinc/22/07/80/590220780.db2.gz SCAOKOPBLZCRHS-ZETCQYMHSA-N 1 0 233.699 -0.291 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1COCCO1 ZINC000876604115 590221315 /nfs/dbraw/zinc/22/13/15/590221315.db2.gz HINJLODHRWSORL-BDAKNGLRSA-N 1 0 248.710 -0.012 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1COCCO1 ZINC000876604116 590221472 /nfs/dbraw/zinc/22/14/72/590221472.db2.gz HINJLODHRWSORL-DTWKUNHWSA-N 1 0 248.710 -0.012 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1COCCO1 ZINC000876604117 590221295 /nfs/dbraw/zinc/22/12/95/590221295.db2.gz HINJLODHRWSORL-IUCAKERBSA-N 1 0 248.710 -0.012 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1COCCO1 ZINC000876604118 590218712 /nfs/dbraw/zinc/21/87/12/590218712.db2.gz HINJLODHRWSORL-RKDXNWHRSA-N 1 0 248.710 -0.012 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC(N)=O ZINC000876605359 590221503 /nfs/dbraw/zinc/22/15/03/590221503.db2.gz MMRQYHUFCTXBKH-SSDOTTSWSA-N 1 0 233.699 -0.162 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC(N)=O ZINC000876605360 590221447 /nfs/dbraw/zinc/22/14/47/590221447.db2.gz MMRQYHUFCTXBKH-ZETCQYMHSA-N 1 0 233.699 -0.162 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)C(N)=O ZINC000876608168 590221466 /nfs/dbraw/zinc/22/14/66/590221466.db2.gz AGQVUSWNPPMEJD-LURJTMIESA-N 1 0 233.699 -0.164 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)C(N)=O ZINC000876608169 590221300 /nfs/dbraw/zinc/22/13/00/590221300.db2.gz AGQVUSWNPPMEJD-ZCFIWIBFSA-N 1 0 233.699 -0.164 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000876627487 590223779 /nfs/dbraw/zinc/22/37/79/590223779.db2.gz AFJASRSJIZQNMQ-HTQZYQBOSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000876627488 590223348 /nfs/dbraw/zinc/22/33/48/590223348.db2.gz AFJASRSJIZQNMQ-JGVFFNPUSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000876627489 590223663 /nfs/dbraw/zinc/22/36/63/590223663.db2.gz AFJASRSJIZQNMQ-SFYZADRCSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000876627490 590223576 /nfs/dbraw/zinc/22/35/76/590223576.db2.gz AFJASRSJIZQNMQ-YUMQZZPRSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cn[nH]n1 ZINC000876628549 590223389 /nfs/dbraw/zinc/22/33/89/590223389.db2.gz RCZNLLSUIMTZQK-SSDOTTSWSA-N 1 0 229.671 -0.109 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cn[nH]n1 ZINC000876628550 590223384 /nfs/dbraw/zinc/22/33/84/590223384.db2.gz RCZNLLSUIMTZQK-ZETCQYMHSA-N 1 0 229.671 -0.109 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1C ZINC000876630837 590223332 /nfs/dbraw/zinc/22/33/32/590223332.db2.gz LWNZLCGQRQXIOS-HTQZYQBOSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1C ZINC000876630838 590223410 /nfs/dbraw/zinc/22/34/10/590223410.db2.gz LWNZLCGQRQXIOS-JGVFFNPUSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1C ZINC000876630839 590223747 /nfs/dbraw/zinc/22/37/47/590223747.db2.gz LWNZLCGQRQXIOS-SFYZADRCSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1C ZINC000876630840 590223523 /nfs/dbraw/zinc/22/35/23/590223523.db2.gz LWNZLCGQRQXIOS-YUMQZZPRSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCn1cncn1 ZINC000876647647 590225505 /nfs/dbraw/zinc/22/55/05/590225505.db2.gz HBBLZOLLEHJPFW-MRVPVSSYSA-N 1 0 243.698 -0.136 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCn1cncn1 ZINC000876647648 590225580 /nfs/dbraw/zinc/22/55/80/590225580.db2.gz HBBLZOLLEHJPFW-QMMMGPOBSA-N 1 0 243.698 -0.136 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C)C1=O ZINC000876656653 590226523 /nfs/dbraw/zinc/22/65/23/590226523.db2.gz SVKQOFYLFRUNSE-HTQZYQBOSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(C)C1=O ZINC000876656654 590226534 /nfs/dbraw/zinc/22/65/34/590226534.db2.gz SVKQOFYLFRUNSE-JGVFFNPUSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(C)C1=O ZINC000876656655 590226965 /nfs/dbraw/zinc/22/69/65/590226965.db2.gz SVKQOFYLFRUNSE-SFYZADRCSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(C)C1=O ZINC000876656656 590226827 /nfs/dbraw/zinc/22/68/27/590226827.db2.gz SVKQOFYLFRUNSE-YUMQZZPRSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C)C(=O)C1 ZINC000876667592 590227744 /nfs/dbraw/zinc/22/77/44/590227744.db2.gz IGRHLURJSHDKCV-MRVPVSSYSA-N 1 0 245.710 -0.243 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C)C(=O)C1 ZINC000876667593 590227971 /nfs/dbraw/zinc/22/79/71/590227971.db2.gz IGRHLURJSHDKCV-QMMMGPOBSA-N 1 0 245.710 -0.243 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NC ZINC000876668838 590228365 /nfs/dbraw/zinc/22/83/65/590228365.db2.gz SDDHLEDVCLOQLY-RNFRBKRXSA-N 1 0 233.699 -0.293 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NC ZINC000876668839 590228184 /nfs/dbraw/zinc/22/81/84/590228184.db2.gz SDDHLEDVCLOQLY-RQJHMYQMSA-N 1 0 233.699 -0.293 20 30 BBEDRO COCC[NH2+]CCNC(=O)C#CC1CC1 ZINC000876792515 590241842 /nfs/dbraw/zinc/24/18/42/590241842.db2.gz WZRIPIFRSAWFSL-UHFFFAOYSA-N 1 0 210.277 -0.248 20 30 BBEDRO Cc1nccn1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801257 590243122 /nfs/dbraw/zinc/24/31/22/590243122.db2.gz AEKQELSJWHGUBU-NXEZZACHSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1nccn1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801258 590243456 /nfs/dbraw/zinc/24/34/56/590243456.db2.gz AEKQELSJWHGUBU-UWVGGRQHSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1nccn1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801259 590243046 /nfs/dbraw/zinc/24/30/46/590243046.db2.gz AEKQELSJWHGUBU-VHSXEESVSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1nccn1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801260 590243412 /nfs/dbraw/zinc/24/34/12/590243412.db2.gz AEKQELSJWHGUBU-ZJUUUORDSA-N 1 0 233.275 -0.581 20 30 BBEDRO COC1CC(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000876801332 590243053 /nfs/dbraw/zinc/24/30/53/590243053.db2.gz BERUOGWQCUFDSW-LRHRNSLUSA-N 1 0 223.276 -0.361 20 30 BBEDRO COC1CC(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000876801333 590243463 /nfs/dbraw/zinc/24/34/63/590243463.db2.gz BERUOGWQCUFDSW-QLVNRRSVSA-N 1 0 223.276 -0.361 20 30 BBEDRO COC1CC(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000876801334 590243138 /nfs/dbraw/zinc/24/31/38/590243138.db2.gz BERUOGWQCUFDSW-RGWUEKKESA-N 1 0 223.276 -0.361 20 30 BBEDRO COC1CC(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000876801335 590243476 /nfs/dbraw/zinc/24/34/76/590243476.db2.gz BERUOGWQCUFDSW-RVXWLBMTSA-N 1 0 223.276 -0.361 20 30 BBEDRO Cc1nn(C)cc1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801508 590243303 /nfs/dbraw/zinc/24/33/03/590243303.db2.gz DPHNDWYJUZLDCF-GHMZBOCLSA-N 1 0 247.302 -0.501 20 30 BBEDRO Cc1nn(C)cc1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801509 590243155 /nfs/dbraw/zinc/24/31/55/590243155.db2.gz DPHNDWYJUZLDCF-MNOVXSKESA-N 1 0 247.302 -0.501 20 30 BBEDRO Cc1nn(C)cc1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801510 590243150 /nfs/dbraw/zinc/24/31/50/590243150.db2.gz DPHNDWYJUZLDCF-QWRGUYRKSA-N 1 0 247.302 -0.501 20 30 BBEDRO Cc1nn(C)cc1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801511 590243446 /nfs/dbraw/zinc/24/34/46/590243446.db2.gz DPHNDWYJUZLDCF-WDEREUQCSA-N 1 0 247.302 -0.501 20 30 BBEDRO Cc1nc[nH]c1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801667 590243011 /nfs/dbraw/zinc/24/30/11/590243011.db2.gz HHSBLKUKPREJJX-HTQZYQBOSA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1nc[nH]c1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801668 590243480 /nfs/dbraw/zinc/24/34/80/590243480.db2.gz HHSBLKUKPREJJX-JGVFFNPUSA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1nc[nH]c1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801669 590243514 /nfs/dbraw/zinc/24/35/14/590243514.db2.gz HHSBLKUKPREJJX-SFYZADRCSA-N 1 0 219.248 -0.441 20 30 BBEDRO Cc1nc[nH]c1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801670 590243451 /nfs/dbraw/zinc/24/34/51/590243451.db2.gz HHSBLKUKPREJJX-YUMQZZPRSA-N 1 0 219.248 -0.441 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000876801710 590243214 /nfs/dbraw/zinc/24/32/14/590243214.db2.gz HWHSTRSVTFEJRH-BDAKNGLRSA-N 1 0 218.260 -0.092 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(C#N)CCC1 ZINC000876801711 590243336 /nfs/dbraw/zinc/24/33/36/590243336.db2.gz HWHSTRSVTFEJRH-DTWKUNHWSA-N 1 0 218.260 -0.092 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000876801712 590243093 /nfs/dbraw/zinc/24/30/93/590243093.db2.gz HWHSTRSVTFEJRH-IUCAKERBSA-N 1 0 218.260 -0.092 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(C#N)CCC1 ZINC000876801713 590243366 /nfs/dbraw/zinc/24/33/66/590243366.db2.gz HWHSTRSVTFEJRH-RKDXNWHRSA-N 1 0 218.260 -0.092 20 30 BBEDRO Cc1conc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801877 590243501 /nfs/dbraw/zinc/24/35/01/590243501.db2.gz KAGZLFHVCUNLBN-HTQZYQBOSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1conc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801878 590243099 /nfs/dbraw/zinc/24/30/99/590243099.db2.gz KAGZLFHVCUNLBN-JGVFFNPUSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1conc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801879 590243217 /nfs/dbraw/zinc/24/32/17/590243217.db2.gz KAGZLFHVCUNLBN-SFYZADRCSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1conc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801880 590243404 /nfs/dbraw/zinc/24/34/04/590243404.db2.gz KAGZLFHVCUNLBN-YUMQZZPRSA-N 1 0 220.232 -0.176 20 30 BBEDRO COc1cncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000876802383 590243081 /nfs/dbraw/zinc/24/30/81/590243081.db2.gz NZUKPGXBUNCKPA-HTQZYQBOSA-N 1 0 247.258 -0.673 20 30 BBEDRO COc1cncc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000876802386 590243408 /nfs/dbraw/zinc/24/34/08/590243408.db2.gz NZUKPGXBUNCKPA-JGVFFNPUSA-N 1 0 247.258 -0.673 20 30 BBEDRO COc1cncc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000876802389 590243190 /nfs/dbraw/zinc/24/31/90/590243190.db2.gz NZUKPGXBUNCKPA-SFYZADRCSA-N 1 0 247.258 -0.673 20 30 BBEDRO COc1cncc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000876802391 590243860 /nfs/dbraw/zinc/24/38/60/590243860.db2.gz NZUKPGXBUNCKPA-YUMQZZPRSA-N 1 0 247.258 -0.673 20 30 BBEDRO Cc1ccnn1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876802431 590243942 /nfs/dbraw/zinc/24/39/42/590243942.db2.gz OKRMKTJEAOFPGJ-NXEZZACHSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1ccnn1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876802432 590243959 /nfs/dbraw/zinc/24/39/59/590243959.db2.gz OKRMKTJEAOFPGJ-UWVGGRQHSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1ccnn1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876802433 590243659 /nfs/dbraw/zinc/24/36/59/590243659.db2.gz OKRMKTJEAOFPGJ-VHSXEESVSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1ccnn1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876802434 590244048 /nfs/dbraw/zinc/24/40/48/590244048.db2.gz OKRMKTJEAOFPGJ-ZJUUUORDSA-N 1 0 233.275 -0.581 20 30 BBEDRO CCc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n(C)n1 ZINC000876802455 590243595 /nfs/dbraw/zinc/24/35/95/590243595.db2.gz OVGPUCSIGWURAO-PSASIEDQSA-N 1 0 247.302 -0.176 20 30 BBEDRO CCc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n(C)n1 ZINC000876802456 590243760 /nfs/dbraw/zinc/24/37/60/590243760.db2.gz OVGPUCSIGWURAO-SCZZXKLOSA-N 1 0 247.302 -0.176 20 30 BBEDRO CCc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n(C)n1 ZINC000876802457 590243721 /nfs/dbraw/zinc/24/37/21/590243721.db2.gz OVGPUCSIGWURAO-WCBMZHEXSA-N 1 0 247.302 -0.176 20 30 BBEDRO CCc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n(C)n1 ZINC000876802458 590244054 /nfs/dbraw/zinc/24/40/54/590244054.db2.gz OVGPUCSIGWURAO-WPRPVWTQSA-N 1 0 247.302 -0.176 20 30 BBEDRO Cc1cncn1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876802503 590244056 /nfs/dbraw/zinc/24/40/56/590244056.db2.gz PRUWSYNJWHTIKW-NXEZZACHSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1cncn1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876802504 590243797 /nfs/dbraw/zinc/24/37/97/590243797.db2.gz PRUWSYNJWHTIKW-UWVGGRQHSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1cncn1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876802505 590243989 /nfs/dbraw/zinc/24/39/89/590243989.db2.gz PRUWSYNJWHTIKW-VHSXEESVSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1cncn1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876802506 590244065 /nfs/dbraw/zinc/24/40/65/590244065.db2.gz PRUWSYNJWHTIKW-ZJUUUORDSA-N 1 0 233.275 -0.581 20 30 BBEDRO Cc1c(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cnn1C ZINC000876802547 590243628 /nfs/dbraw/zinc/24/36/28/590243628.db2.gz QEIQWUYMBQXKQC-GHMZBOCLSA-N 1 0 247.302 -0.501 20 30 BBEDRO Cc1c(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cnn1C ZINC000876802548 590243932 /nfs/dbraw/zinc/24/39/32/590243932.db2.gz QEIQWUYMBQXKQC-MNOVXSKESA-N 1 0 247.302 -0.501 20 30 BBEDRO Cc1c(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cnn1C ZINC000876802549 590243705 /nfs/dbraw/zinc/24/37/05/590243705.db2.gz QEIQWUYMBQXKQC-QWRGUYRKSA-N 1 0 247.302 -0.501 20 30 BBEDRO Cc1c(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cnn1C ZINC000876802550 590244157 /nfs/dbraw/zinc/24/41/57/590244157.db2.gz QEIQWUYMBQXKQC-WDEREUQCSA-N 1 0 247.302 -0.501 20 30 BBEDRO CCc1c[nH]c(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000876802555 590243765 /nfs/dbraw/zinc/24/37/65/590243765.db2.gz QHQTUYFQQUBXGY-PSASIEDQSA-N 1 0 247.302 -0.258 20 30 BBEDRO CCc1c[nH]c(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000876802556 590244081 /nfs/dbraw/zinc/24/40/81/590244081.db2.gz QHQTUYFQQUBXGY-SCZZXKLOSA-N 1 0 247.302 -0.258 20 30 BBEDRO CCc1c[nH]c(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000876802557 590243880 /nfs/dbraw/zinc/24/38/80/590243880.db2.gz QHQTUYFQQUBXGY-WCBMZHEXSA-N 1 0 247.302 -0.258 20 30 BBEDRO CCc1c[nH]c(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000876802558 590244041 /nfs/dbraw/zinc/24/40/41/590244041.db2.gz QHQTUYFQQUBXGY-WPRPVWTQSA-N 1 0 247.302 -0.258 20 30 BBEDRO CCn1cc(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000876802564 590244140 /nfs/dbraw/zinc/24/41/40/590244140.db2.gz QJBGTFOIYLJYEY-GHMZBOCLSA-N 1 0 247.302 -0.327 20 30 BBEDRO CCn1cc(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000876802565 590244050 /nfs/dbraw/zinc/24/40/50/590244050.db2.gz QJBGTFOIYLJYEY-MNOVXSKESA-N 1 0 247.302 -0.327 20 30 BBEDRO CCn1cc(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000876802566 590243709 /nfs/dbraw/zinc/24/37/09/590243709.db2.gz QJBGTFOIYLJYEY-QWRGUYRKSA-N 1 0 247.302 -0.327 20 30 BBEDRO CCn1cc(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000876802567 590244102 /nfs/dbraw/zinc/24/41/02/590244102.db2.gz QJBGTFOIYLJYEY-WDEREUQCSA-N 1 0 247.302 -0.327 20 30 BBEDRO Cc1nocc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803002 590243678 /nfs/dbraw/zinc/24/36/78/590243678.db2.gz UAGLZOJXFSOGPF-APPZFPTMSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1nocc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803003 590243846 /nfs/dbraw/zinc/24/38/46/590243846.db2.gz UAGLZOJXFSOGPF-CBAPKCEASA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1nocc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803004 590243624 /nfs/dbraw/zinc/24/36/24/590243624.db2.gz UAGLZOJXFSOGPF-IONNQARKSA-N 1 0 220.232 -0.176 20 30 BBEDRO Cc1nocc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803005 590243758 /nfs/dbraw/zinc/24/37/58/590243758.db2.gz UAGLZOJXFSOGPF-VXNVDRBHSA-N 1 0 220.232 -0.176 20 30 BBEDRO CC[C@H](NC(C)=O)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803187 590243926 /nfs/dbraw/zinc/24/39/26/590243926.db2.gz VAMXWCTTZXVMSB-GUBZILKMSA-N 1 0 238.291 -0.871 20 30 BBEDRO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803188 590244014 /nfs/dbraw/zinc/24/40/14/590244014.db2.gz VAMXWCTTZXVMSB-KXUCPTDWSA-N 1 0 238.291 -0.871 20 30 BBEDRO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803189 590244090 /nfs/dbraw/zinc/24/40/90/590244090.db2.gz VAMXWCTTZXVMSB-LPEHRKFASA-N 1 0 238.291 -0.871 20 30 BBEDRO CC[C@H](NC(C)=O)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803190 590244113 /nfs/dbraw/zinc/24/41/13/590244113.db2.gz VAMXWCTTZXVMSB-UTLUCORTSA-N 1 0 238.291 -0.871 20 30 BBEDRO COc1cccnc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803366 590243773 /nfs/dbraw/zinc/24/37/73/590243773.db2.gz WBSRSWYKEJXFCN-BDAKNGLRSA-N 1 0 246.270 -0.068 20 30 BBEDRO COc1cccnc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803367 590243676 /nfs/dbraw/zinc/24/36/76/590243676.db2.gz WBSRSWYKEJXFCN-DTWKUNHWSA-N 1 0 246.270 -0.068 20 30 BBEDRO COc1cccnc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803368 590244127 /nfs/dbraw/zinc/24/41/27/590244127.db2.gz WBSRSWYKEJXFCN-IUCAKERBSA-N 1 0 246.270 -0.068 20 30 BBEDRO COc1cccnc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803369 590244017 /nfs/dbraw/zinc/24/40/17/590244017.db2.gz WBSRSWYKEJXFCN-RKDXNWHRSA-N 1 0 246.270 -0.068 20 30 BBEDRO Cc1ccnc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000876803548 590243855 /nfs/dbraw/zinc/24/38/55/590243855.db2.gz WVLQZJIETBONND-BDAKNGLRSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1ccnc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000876803549 590243696 /nfs/dbraw/zinc/24/36/96/590243696.db2.gz WVLQZJIETBONND-DTWKUNHWSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1ccnc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000876803550 590244120 /nfs/dbraw/zinc/24/41/20/590244120.db2.gz WVLQZJIETBONND-IUCAKERBSA-N 1 0 231.259 -0.374 20 30 BBEDRO Cc1ccnc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000876803551 590243651 /nfs/dbraw/zinc/24/36/51/590243651.db2.gz WVLQZJIETBONND-RKDXNWHRSA-N 1 0 231.259 -0.374 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C#CC1CC1 ZINC000876803554 590244032 /nfs/dbraw/zinc/24/40/32/590244032.db2.gz WXLXXHXIKADJRS-NXEZZACHSA-N 1 0 203.245 -0.372 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C#CC1CC1 ZINC000876803555 590243605 /nfs/dbraw/zinc/24/36/05/590243605.db2.gz WXLXXHXIKADJRS-UWVGGRQHSA-N 1 0 203.245 -0.372 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)COCC(F)F ZINC000876803871 590243876 /nfs/dbraw/zinc/24/38/76/590243876.db2.gz YOLVGCRUWNTHSM-BQBZGAKWSA-N 1 0 233.218 -0.504 20 30 BBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)COCC(F)F ZINC000876803872 590243918 /nfs/dbraw/zinc/24/39/18/590243918.db2.gz YOLVGCRUWNTHSM-NKWVEPMBSA-N 1 0 233.218 -0.504 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)COCC(F)F ZINC000876803873 590243781 /nfs/dbraw/zinc/24/37/81/590243781.db2.gz YOLVGCRUWNTHSM-RNFRBKRXSA-N 1 0 233.218 -0.504 20 30 BBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)COCC(F)F ZINC000876803874 590244123 /nfs/dbraw/zinc/24/41/23/590244123.db2.gz YOLVGCRUWNTHSM-RQJHMYQMSA-N 1 0 233.218 -0.504 20 30 BBEDRO [NH3+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000876807960 590244869 /nfs/dbraw/zinc/24/48/69/590244869.db2.gz LVRPXZKTZPMXAM-JTQLQIEISA-N 1 0 208.261 -0.414 20 30 BBEDRO [NH3+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000876807961 590244855 /nfs/dbraw/zinc/24/48/55/590244855.db2.gz LVRPXZKTZPMXAM-SNVBAGLBSA-N 1 0 208.261 -0.414 20 30 BBEDRO C[C@@H](C[NH3+])NC(=O)Cc1ccc(C#N)nc1 ZINC000876829691 590246661 /nfs/dbraw/zinc/24/66/61/590246661.db2.gz PFJODKFDMBNOID-QMMMGPOBSA-N 1 0 218.260 -0.041 20 30 BBEDRO O=C(C#CC1CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876847462 590249568 /nfs/dbraw/zinc/24/95/68/590249568.db2.gz LISCSGMZXWGSIO-CYBMUJFWSA-N 1 0 247.342 -0.094 20 30 BBEDRO O=C(C#CC1CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876847463 590249289 /nfs/dbraw/zinc/24/92/89/590249289.db2.gz LISCSGMZXWGSIO-ZDUSSCGKSA-N 1 0 247.342 -0.094 20 30 BBEDRO O=C(C#CC1CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876850793 590249517 /nfs/dbraw/zinc/24/95/17/590249517.db2.gz BZULGYWYLQPRRU-CYBMUJFWSA-N 1 0 247.342 -0.094 20 30 BBEDRO O=C(C#CC1CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000876850794 590249571 /nfs/dbraw/zinc/24/95/71/590249571.db2.gz BZULGYWYLQPRRU-ZDUSSCGKSA-N 1 0 247.342 -0.094 20 30 BBEDRO O=C(C#CC1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000876870761 590251762 /nfs/dbraw/zinc/25/17/62/590251762.db2.gz PURHDSQPGIVIDX-LLVKDONJSA-N 1 0 222.288 -0.106 20 30 BBEDRO O=C(C#CC1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000876870762 590252090 /nfs/dbraw/zinc/25/20/90/590252090.db2.gz PURHDSQPGIVIDX-NSHDSACASA-N 1 0 222.288 -0.106 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876882390 590253072 /nfs/dbraw/zinc/25/30/72/590253072.db2.gz HMDOCUXMCGQTQQ-BDAKNGLRSA-N 1 0 239.319 -0.222 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876882391 590252740 /nfs/dbraw/zinc/25/27/40/590252740.db2.gz HMDOCUXMCGQTQQ-DTWKUNHWSA-N 1 0 239.319 -0.222 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876882392 590252783 /nfs/dbraw/zinc/25/27/83/590252783.db2.gz HMDOCUXMCGQTQQ-IUCAKERBSA-N 1 0 239.319 -0.222 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876882393 590252730 /nfs/dbraw/zinc/25/27/30/590252730.db2.gz HMDOCUXMCGQTQQ-RKDXNWHRSA-N 1 0 239.319 -0.222 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])CC(=C)Cl ZINC000876882851 590252926 /nfs/dbraw/zinc/25/29/26/590252926.db2.gz UGGFKTFVIQRJQM-MRVPVSSYSA-N 1 0 245.710 -0.125 20 30 BBEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])CC(=C)Cl ZINC000876882852 590252785 /nfs/dbraw/zinc/25/27/85/590252785.db2.gz UGGFKTFVIQRJQM-QMMMGPOBSA-N 1 0 245.710 -0.125 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCn1ncnn1 ZINC000876883235 590253692 /nfs/dbraw/zinc/25/36/92/590253692.db2.gz CHKLDFJWRFLDOC-SSDOTTSWSA-N 1 0 244.686 -0.741 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCn1ncnn1 ZINC000876883236 590253568 /nfs/dbraw/zinc/25/35/68/590253568.db2.gz CHKLDFJWRFLDOC-ZETCQYMHSA-N 1 0 244.686 -0.741 20 30 BBEDRO O=C(C#CC1CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000876916785 590256916 /nfs/dbraw/zinc/25/69/16/590256916.db2.gz GOTYWVHRJFAFDO-JTQLQIEISA-N 1 0 208.261 -0.496 20 30 BBEDRO O=C(C#CC1CC1)NC[C@H]1C[NH2+]CCO1 ZINC000876916786 590256962 /nfs/dbraw/zinc/25/69/62/590256962.db2.gz GOTYWVHRJFAFDO-SNVBAGLBSA-N 1 0 208.261 -0.496 20 30 BBEDRO [NH3+]C[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC000876919954 590257301 /nfs/dbraw/zinc/25/73/01/590257301.db2.gz BQLXWJUUMVCRAY-LLVKDONJSA-N 1 0 222.288 -0.024 20 30 BBEDRO [NH3+]C[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC000876919955 590257279 /nfs/dbraw/zinc/25/72/79/590257279.db2.gz BQLXWJUUMVCRAY-NSHDSACASA-N 1 0 222.288 -0.024 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876930959 590258271 /nfs/dbraw/zinc/25/82/71/590258271.db2.gz IAPJSGDAWHREKQ-DCAQKATOSA-N 1 0 241.335 -0.417 20 30 BBEDRO C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000876932390 590258607 /nfs/dbraw/zinc/25/86/07/590258607.db2.gz LKJBTPLBRHGWED-AEJSXWLSSA-N 1 0 224.308 -0.316 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC(=O)N1 ZINC000876970991 590262881 /nfs/dbraw/zinc/26/28/81/590262881.db2.gz IWOZLKBLNQVDMD-JGVFFNPUSA-N 1 0 245.710 -0.149 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC(=O)N1 ZINC000876970992 590263131 /nfs/dbraw/zinc/26/31/31/590263131.db2.gz IWOZLKBLNQVDMD-YUMQZZPRSA-N 1 0 245.710 -0.149 20 30 BBEDRO O=C(C#CC1CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000876985084 590264805 /nfs/dbraw/zinc/26/48/05/590264805.db2.gz SQUOAUOBTRWFEI-UHFFFAOYSA-N 1 0 220.272 -0.399 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000876988687 590265649 /nfs/dbraw/zinc/26/56/49/590265649.db2.gz KKMHMYFTAJQIAG-GJMOJQLCSA-N 1 0 245.710 -0.164 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000876988688 590265643 /nfs/dbraw/zinc/26/56/43/590265643.db2.gz KKMHMYFTAJQIAG-RNJXMRFFSA-N 1 0 245.710 -0.164 20 30 BBEDRO NC(=O)[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000876988925 590265523 /nfs/dbraw/zinc/26/55/23/590265523.db2.gz MSJNWDGQMAFHRV-PHIMTYICSA-N 1 0 249.314 -0.631 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000877014638 590269476 /nfs/dbraw/zinc/26/94/76/590269476.db2.gz KKMHMYFTAJQIAG-BWZBUEFSSA-N 1 0 245.710 -0.164 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000877014639 590269458 /nfs/dbraw/zinc/26/94/58/590269458.db2.gz KKMHMYFTAJQIAG-FXQIFTODSA-N 1 0 245.710 -0.164 20 30 BBEDRO NC(=O)[C@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000877014702 590269325 /nfs/dbraw/zinc/26/93/25/590269325.db2.gz MSJNWDGQMAFHRV-XYPYZODXSA-N 1 0 249.314 -0.631 20 30 BBEDRO C[NH2+]CCOCCNC(=O)C#CC1CC1 ZINC000877024016 590270682 /nfs/dbraw/zinc/27/06/82/590270682.db2.gz NXNOROFFVNJZQL-UHFFFAOYSA-N 1 0 210.277 -0.248 20 30 BBEDRO O=C(C#CC1CC1)NC[C@H]1COCC[NH2+]1 ZINC000877037950 590272616 /nfs/dbraw/zinc/27/26/16/590272616.db2.gz DSNHMHZSAZNGIK-JTQLQIEISA-N 1 0 208.261 -0.496 20 30 BBEDRO O=C(C#CC1CC1)NC[C@@H]1COCC[NH2+]1 ZINC000877037951 590273030 /nfs/dbraw/zinc/27/30/30/590273030.db2.gz DSNHMHZSAZNGIK-SNVBAGLBSA-N 1 0 208.261 -0.496 20 30 BBEDRO N#Cc1cc(C(=O)NC[C@@H]2COCC[NH2+]2)co1 ZINC000877038831 590272739 /nfs/dbraw/zinc/27/27/39/590272739.db2.gz YYQDUKIWNPEFRG-SECBINFHSA-N 1 0 235.243 -0.131 20 30 BBEDRO N#Cc1cc(C(=O)NC[C@H]2COCC[NH2+]2)co1 ZINC000877038832 590272466 /nfs/dbraw/zinc/27/24/66/590272466.db2.gz YYQDUKIWNPEFRG-VIFPVBQESA-N 1 0 235.243 -0.131 20 30 BBEDRO [NH3+]CCCOCCNC(=O)C#CC1CC1 ZINC000877053140 590275146 /nfs/dbraw/zinc/27/51/46/590275146.db2.gz DVAZDKUKUSGQME-UHFFFAOYSA-N 1 0 210.277 -0.119 20 30 BBEDRO CN(CCOCC[NH3+])C(=O)C#CC1CC1 ZINC000877057177 590275876 /nfs/dbraw/zinc/27/58/76/590275876.db2.gz WPIZKYFZWKUROY-UHFFFAOYSA-N 1 0 210.277 -0.167 20 30 BBEDRO C=CCn1cc(C(=O)N(C)C[C@@H](C)[NH3+])nn1 ZINC000877105433 640762002 /nfs/dbraw/zinc/76/20/02/640762002.db2.gz PBOIXCFOIMRQSZ-MRVPVSSYSA-N 1 0 223.280 -0.117 20 30 BBEDRO C=CCn1cc(C(=O)N(C)C[C@H](C)[NH3+])nn1 ZINC000877105434 640761922 /nfs/dbraw/zinc/76/19/22/640761922.db2.gz PBOIXCFOIMRQSZ-QMMMGPOBSA-N 1 0 223.280 -0.117 20 30 BBEDRO C[C@H](CC#N)N(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877146696 590292006 /nfs/dbraw/zinc/29/20/06/590292006.db2.gz YSNJDVZRVRJNGW-HTQZYQBOSA-N 1 0 224.264 -0.149 20 30 BBEDRO C[C@@H](CC#N)N(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877146697 590292049 /nfs/dbraw/zinc/29/20/49/590292049.db2.gz YSNJDVZRVRJNGW-JGVFFNPUSA-N 1 0 224.264 -0.149 20 30 BBEDRO C[C@H](CC#N)N(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877146698 590292192 /nfs/dbraw/zinc/29/21/92/590292192.db2.gz YSNJDVZRVRJNGW-SFYZADRCSA-N 1 0 224.264 -0.149 20 30 BBEDRO C[C@@H](CC#N)N(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877146699 590292075 /nfs/dbraw/zinc/29/20/75/590292075.db2.gz YSNJDVZRVRJNGW-YUMQZZPRSA-N 1 0 224.264 -0.149 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)nn1 ZINC000877242514 583304779 /nfs/dbraw/zinc/30/47/79/583304779.db2.gz RLDPZKMRULYYLQ-DTORHVGOSA-N 1 0 235.291 -0.069 20 30 BBEDRO C=CCn1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)nn1 ZINC000877243889 590303268 /nfs/dbraw/zinc/30/32/68/590303268.db2.gz RLDPZKMRULYYLQ-KYZUINATSA-N 1 0 235.291 -0.069 20 30 BBEDRO COc1ccc(NC(=O)C2(O)C[NH2+]C2)cc1C#N ZINC000877271307 590305212 /nfs/dbraw/zinc/30/52/12/590305212.db2.gz OGLVPVIHYGAEFQ-UHFFFAOYSA-N 1 0 247.254 -0.160 20 30 BBEDRO N#Cc1ccc(N2CCN(C(=O)C[NH3+])CC2)cn1 ZINC000877296689 590308431 /nfs/dbraw/zinc/30/84/31/590308431.db2.gz IQHGVNIGSRJFJK-UHFFFAOYSA-N 1 0 245.286 -0.439 20 30 BBEDRO O=C(C#CC1CC[NH2+]CC1)N1CCCNC(=O)C1 ZINC000877451302 590328716 /nfs/dbraw/zinc/32/87/16/590328716.db2.gz NHFFLJCXFAINTI-UHFFFAOYSA-N 1 0 249.314 -0.662 20 30 BBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCNC(=O)C1 ZINC000877451631 590330055 /nfs/dbraw/zinc/33/00/55/590330055.db2.gz RZSBFMCPOCZIBN-MRVPVSSYSA-N 1 0 245.710 -0.195 20 30 BBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCNC(=O)C1 ZINC000877451644 590330268 /nfs/dbraw/zinc/33/02/68/590330268.db2.gz RZSBFMCPOCZIBN-QMMMGPOBSA-N 1 0 245.710 -0.195 20 30 BBEDRO C#CC[C@@H]1NC(=O)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000877881467 590437514 /nfs/dbraw/zinc/43/75/14/590437514.db2.gz SIUDBUNWLYMLHT-BDAKNGLRSA-N 1 0 221.260 -0.366 20 30 BBEDRO C#CC[C@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000877881468 590437446 /nfs/dbraw/zinc/43/74/46/590437446.db2.gz SIUDBUNWLYMLHT-DTWKUNHWSA-N 1 0 221.260 -0.366 20 30 BBEDRO C#CC[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000877881469 590437578 /nfs/dbraw/zinc/43/75/78/590437578.db2.gz SIUDBUNWLYMLHT-IUCAKERBSA-N 1 0 221.260 -0.366 20 30 BBEDRO C#CC[C@H]1NC(=O)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000877881470 590437391 /nfs/dbraw/zinc/43/73/91/590437391.db2.gz SIUDBUNWLYMLHT-RKDXNWHRSA-N 1 0 221.260 -0.366 20 30 BBEDRO C#CC[C@H]1NC(=O)N(C[C@H](C)[NH+](C)C)C1=O ZINC000877881879 590437575 /nfs/dbraw/zinc/43/75/75/590437575.db2.gz ZFOYEOSYMWSRMI-DTWKUNHWSA-N 1 0 223.276 -0.120 20 30 BBEDRO C#CC[C@@H]1NC(=O)N(C[C@H](C)[NH+](C)C)C1=O ZINC000877881880 590435935 /nfs/dbraw/zinc/43/59/35/590435935.db2.gz ZFOYEOSYMWSRMI-IUCAKERBSA-N 1 0 223.276 -0.120 20 30 BBEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NO ZINC000878093039 590490780 /nfs/dbraw/zinc/49/07/80/590490780.db2.gz BRSXJCDLLNUWTD-ZETCQYMHSA-N 1 0 247.295 -0.053 20 30 BBEDRO C#CCN(CC#C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878153589 590507589 /nfs/dbraw/zinc/50/75/89/590507589.db2.gz VOHSQLXABFPQHY-UHFFFAOYSA-N 1 0 247.342 -0.235 20 30 BBEDRO C=CC[C@@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000878195859 590522339 /nfs/dbraw/zinc/52/23/39/590522339.db2.gz VGDKWOSJORJUBG-NXEZZACHSA-N 1 0 237.303 -0.406 20 30 BBEDRO C=CC[C@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000878195860 590522078 /nfs/dbraw/zinc/52/20/78/590522078.db2.gz VGDKWOSJORJUBG-UWVGGRQHSA-N 1 0 237.303 -0.406 20 30 BBEDRO C=CC[C@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000878195861 590521746 /nfs/dbraw/zinc/52/17/46/590521746.db2.gz VGDKWOSJORJUBG-VHSXEESVSA-N 1 0 237.303 -0.406 20 30 BBEDRO C=CC[C@@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000878195862 590522296 /nfs/dbraw/zinc/52/22/96/590522296.db2.gz VGDKWOSJORJUBG-ZJUUUORDSA-N 1 0 237.303 -0.406 20 30 BBEDRO C#CCC[NH+]1CCN(CCn2cnnn2)CC1 ZINC000878312919 590541023 /nfs/dbraw/zinc/54/10/23/590541023.db2.gz POFOBUTVFTXRQX-UHFFFAOYSA-N 1 0 234.307 -0.686 20 30 BBEDRO C#CCC[NH+]1CCN(CCc2nnnn2C)CC1 ZINC000878313534 590540635 /nfs/dbraw/zinc/54/06/35/590540635.db2.gz ZLPIXIPDIYZFHZ-UHFFFAOYSA-N 1 0 248.334 -0.607 20 30 BBEDRO C=CC[C@@H](C(=O)OC)N1CC[C@@H](NC(N)=O)C1 ZINC000878326480 590546127 /nfs/dbraw/zinc/54/61/27/590546127.db2.gz VQRDKNNULHJQSQ-BDAKNGLRSA-N 1 0 241.291 -0.153 20 30 BBEDRO C=CC[C@H](C(=O)OC)N1CC[C@H](NC(N)=O)C1 ZINC000878326481 590545822 /nfs/dbraw/zinc/54/58/22/590545822.db2.gz VQRDKNNULHJQSQ-DTWKUNHWSA-N 1 0 241.291 -0.153 20 30 BBEDRO C=CC[C@@H](C(=O)OC)N1CC[C@H](NC(N)=O)C1 ZINC000878326483 590546554 /nfs/dbraw/zinc/54/65/54/590546554.db2.gz VQRDKNNULHJQSQ-IUCAKERBSA-N 1 0 241.291 -0.153 20 30 BBEDRO C=CC[C@H](C(=O)OC)N1CC[C@@H](NC(N)=O)C1 ZINC000878326484 590546395 /nfs/dbraw/zinc/54/63/95/590546395.db2.gz VQRDKNNULHJQSQ-RKDXNWHRSA-N 1 0 241.291 -0.153 20 30 BBEDRO C#CC[N@@H+](CCc1nnnn1C)C1CC1 ZINC000878433848 590567015 /nfs/dbraw/zinc/56/70/15/590567015.db2.gz DCFLVBIZCBHEDK-UHFFFAOYSA-N 1 0 205.265 -0.150 20 30 BBEDRO C#C[C@@H]([NH2+]CCn1cnnn1)[C@H]1CCCO1 ZINC000878452957 590569543 /nfs/dbraw/zinc/56/95/43/590569543.db2.gz FZNDCJJRKWTOOI-NXEZZACHSA-N 1 0 221.264 -0.557 20 30 BBEDRO C#C[C@H]([NH2+]CCn1cnnn1)[C@@H]1CCCO1 ZINC000878452958 590569442 /nfs/dbraw/zinc/56/94/42/590569442.db2.gz FZNDCJJRKWTOOI-UWVGGRQHSA-N 1 0 221.264 -0.557 20 30 BBEDRO C#C[C@H]([NH2+]CCn1cnnn1)[C@H]1CCCO1 ZINC000878452959 590569227 /nfs/dbraw/zinc/56/92/27/590569227.db2.gz FZNDCJJRKWTOOI-VHSXEESVSA-N 1 0 221.264 -0.557 20 30 BBEDRO C#C[C@@H]([NH2+]CCn1cnnn1)[C@@H]1CCCO1 ZINC000878452960 590569850 /nfs/dbraw/zinc/56/98/50/590569850.db2.gz FZNDCJJRKWTOOI-ZJUUUORDSA-N 1 0 221.264 -0.557 20 30 BBEDRO C#C[C@@H]([NH2+]CCc1nnnn1C)[C@H]1CCCO1 ZINC000878454031 590570737 /nfs/dbraw/zinc/57/07/37/590570737.db2.gz RCSCIIKPKHFBBZ-NXEZZACHSA-N 1 0 235.291 -0.477 20 30 BBEDRO C#C[C@H]([NH2+]CCc1nnnn1C)[C@@H]1CCCO1 ZINC000878454032 590570922 /nfs/dbraw/zinc/57/09/22/590570922.db2.gz RCSCIIKPKHFBBZ-UWVGGRQHSA-N 1 0 235.291 -0.477 20 30 BBEDRO C#C[C@H]([NH2+]CCc1nnnn1C)[C@H]1CCCO1 ZINC000878454033 590570433 /nfs/dbraw/zinc/57/04/33/590570433.db2.gz RCSCIIKPKHFBBZ-VHSXEESVSA-N 1 0 235.291 -0.477 20 30 BBEDRO C#C[C@@H]([NH2+]CCc1nnnn1C)[C@@H]1CCCO1 ZINC000878454034 590571075 /nfs/dbraw/zinc/57/10/75/590571075.db2.gz RCSCIIKPKHFBBZ-ZJUUUORDSA-N 1 0 235.291 -0.477 20 30 BBEDRO C#CCN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878501694 590581058 /nfs/dbraw/zinc/58/10/58/590581058.db2.gz SFPQDMFFXQOCPR-UHFFFAOYSA-N 1 0 223.320 -0.238 20 30 BBEDRO C#CC[N@@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000878502142 590580893 /nfs/dbraw/zinc/58/08/93/590580893.db2.gz WTDJNUFQZZUQGV-LLVKDONJSA-N 1 0 227.304 -0.156 20 30 BBEDRO C#CC[N@@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000878502143 590580871 /nfs/dbraw/zinc/58/08/71/590580871.db2.gz WTDJNUFQZZUQGV-NSHDSACASA-N 1 0 227.304 -0.156 20 30 BBEDRO C=CC[N@H+](CCOC)CCn1cnnn1 ZINC000878502409 590572932 /nfs/dbraw/zinc/57/29/32/590572932.db2.gz CQFNBEJMORLLSP-UHFFFAOYSA-N 1 0 211.269 -0.193 20 30 BBEDRO C=CC[N@H+](CCOC)CCc1nnnn1C ZINC000878503057 590582246 /nfs/dbraw/zinc/58/22/46/590582246.db2.gz LYQCGSMGTWLBIA-UHFFFAOYSA-N 1 0 225.296 -0.113 20 30 BBEDRO C#CCN(CC#N)CC(=O)NC1CC[NH+](C)CC1 ZINC000878553357 590591114 /nfs/dbraw/zinc/59/11/14/590591114.db2.gz YADMILVYXYRCBH-UHFFFAOYSA-N 1 0 248.330 -0.344 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1nnnn1C ZINC000878676304 590607872 /nfs/dbraw/zinc/60/78/72/590607872.db2.gz PQCKSDVJHHSHEA-BDAKNGLRSA-N 1 0 223.280 -0.314 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCn1cnnn1 ZINC000878676765 590607773 /nfs/dbraw/zinc/60/77/73/590607773.db2.gz ZAJFIAVRDMSZFX-BDAKNGLRSA-N 1 0 209.253 -0.394 20 30 BBEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)o1 ZINC000878677062 590607897 /nfs/dbraw/zinc/60/78/97/590607897.db2.gz BDAWEULLRRUXNL-AOOOYVTPSA-N 1 0 245.238 -0.144 20 30 BBEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCn1cnnn1 ZINC000878680691 590608841 /nfs/dbraw/zinc/60/88/41/590608841.db2.gz SDLKSBFBXROOQM-ZJUUUORDSA-N 1 0 223.280 -0.004 20 30 BBEDRO C[C@@H]1C[NH+](CCn2cnnn2)C[C@@H](C)N1CC#N ZINC000878771698 590620619 /nfs/dbraw/zinc/62/06/19/590620619.db2.gz SJXIWJBRDSDQNO-GHMZBOCLSA-N 1 0 249.322 -0.409 20 30 BBEDRO C[C@@H]1C[N@@H+](CCn2cnnn2)C[C@H](C)N1CC#N ZINC000878771699 590620517 /nfs/dbraw/zinc/62/05/17/590620517.db2.gz SJXIWJBRDSDQNO-PHIMTYICSA-N 1 0 249.322 -0.409 20 30 BBEDRO C[C@H]1C[NH+](CCn2cnnn2)C[C@H](C)N1CC#N ZINC000878771700 590620616 /nfs/dbraw/zinc/62/06/16/590620616.db2.gz SJXIWJBRDSDQNO-QWRGUYRKSA-N 1 0 249.322 -0.409 20 30 BBEDRO C#CCOCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000878881919 590638304 /nfs/dbraw/zinc/63/83/04/590638304.db2.gz UMSDIDJYAFSFRU-QWRGUYRKSA-N 1 0 213.277 -0.546 20 30 BBEDRO C[C@H](C#N)OCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000878881958 590637654 /nfs/dbraw/zinc/63/76/54/590637654.db2.gz VRDSBAVNHRSWJS-GMTAPVOTSA-N 1 0 228.292 -0.267 20 30 BBEDRO C[C@@H](C#N)OCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000878881959 590637936 /nfs/dbraw/zinc/63/79/36/590637936.db2.gz VRDSBAVNHRSWJS-HBNTYKKESA-N 1 0 228.292 -0.267 20 30 BBEDRO C#CCN(CCc1nnnn1C)C1CSC1 ZINC000878909146 590644558 /nfs/dbraw/zinc/64/45/58/590644558.db2.gz LXIVNPYFVQBNBB-UHFFFAOYSA-N 1 0 237.332 -0.197 20 30 BBEDRO C#CCN(CCn1cnnn1)C1CSC1 ZINC000878909657 590645739 /nfs/dbraw/zinc/64/57/39/590645739.db2.gz WTQJTIKIHSAPMX-UHFFFAOYSA-N 1 0 223.305 -0.276 20 30 BBEDRO C#CCN(C[C@](C)(O)C(=O)OC)C1CSC1 ZINC000878910093 590642301 /nfs/dbraw/zinc/64/23/01/590642301.db2.gz NJNQPGKGKNTETM-NSHDSACASA-N 1 0 243.328 -0.039 20 30 BBEDRO C=CC[C@H](C)[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000878971633 590665507 /nfs/dbraw/zinc/66/55/07/590665507.db2.gz DZUBRZPRFPBDKY-CIUDSAMLSA-N 1 0 225.292 -0.530 20 30 BBEDRO C=CC[C@H](C)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000878971634 590665127 /nfs/dbraw/zinc/66/51/27/590665127.db2.gz DZUBRZPRFPBDKY-DJLDLDEBSA-N 1 0 225.292 -0.530 20 30 BBEDRO C=CC[C@@H](C)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000878971635 590665438 /nfs/dbraw/zinc/66/54/38/590665438.db2.gz DZUBRZPRFPBDKY-HLTSFMKQSA-N 1 0 225.292 -0.530 20 30 BBEDRO C=CC[C@H](C)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000878971636 590665119 /nfs/dbraw/zinc/66/51/19/590665119.db2.gz DZUBRZPRFPBDKY-XHNCKOQMSA-N 1 0 225.292 -0.530 20 30 BBEDRO C=C(Cl)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000878973485 590664468 /nfs/dbraw/zinc/66/44/68/590664468.db2.gz QNGYVEIYRZOPGX-BQBZGAKWSA-N 1 0 231.683 -0.743 20 30 BBEDRO C=C(Cl)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000878973488 590665473 /nfs/dbraw/zinc/66/54/73/590665473.db2.gz QNGYVEIYRZOPGX-KNVOCYPGSA-N 1 0 231.683 -0.743 20 30 BBEDRO Cn1nnnc1CCN1CC[C@@](C)(C#N)C1 ZINC000878990937 590670676 /nfs/dbraw/zinc/67/06/76/590670676.db2.gz CKFNWGCAWCYLCX-JTQLQIEISA-N 1 0 220.280 -0.012 20 30 BBEDRO Cn1nnnc1CCN1CC[C@](C)(C#N)C1 ZINC000878990938 590671211 /nfs/dbraw/zinc/67/12/11/590671211.db2.gz CKFNWGCAWCYLCX-SNVBAGLBSA-N 1 0 220.280 -0.012 20 30 BBEDRO C#CCC[N@@H+](CCOC)CCn1cnnn1 ZINC000878999923 590673845 /nfs/dbraw/zinc/67/38/45/590673845.db2.gz VSZLPZVYJSSVOX-UHFFFAOYSA-N 1 0 223.280 -0.355 20 30 BBEDRO C#CCC[N@@H+](CCOC)CCc1nnnn1C ZINC000879000048 590673872 /nfs/dbraw/zinc/67/38/72/590673872.db2.gz XUXTZKSPKJNZJV-UHFFFAOYSA-N 1 0 237.307 -0.276 20 30 BBEDRO C#CCOCC[N@H+]1CCN(C)C[C@@H]1CO ZINC000879000281 590674550 /nfs/dbraw/zinc/67/45/50/590674550.db2.gz ATWSZZXLKRMDST-LLVKDONJSA-N 1 0 212.293 -0.756 20 30 BBEDRO C#CCOCC[N@H+]1CCN(C)C[C@H]1CO ZINC000879000282 590674579 /nfs/dbraw/zinc/67/45/79/590674579.db2.gz ATWSZZXLKRMDST-NSHDSACASA-N 1 0 212.293 -0.756 20 30 BBEDRO C=CC[C@@H](C(=O)OC)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000879032035 590681722 /nfs/dbraw/zinc/68/17/22/590681722.db2.gz IPYILNKBBVXBOG-DCAQKATOSA-N 1 0 243.303 -0.363 20 30 BBEDRO C=CC[C@H](C(=O)OC)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000879032036 590681018 /nfs/dbraw/zinc/68/10/18/590681018.db2.gz IPYILNKBBVXBOG-GARJFASQSA-N 1 0 243.303 -0.363 20 30 BBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000879144290 590701671 /nfs/dbraw/zinc/70/16/71/590701671.db2.gz DGXODDUIIORDHA-MNOVXSKESA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879157224 590706299 /nfs/dbraw/zinc/70/62/99/590706299.db2.gz GIKOBACURJROQH-RYUDHWBXSA-N 1 0 220.272 -0.006 20 30 BBEDRO C#CCC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879157225 590706542 /nfs/dbraw/zinc/70/65/42/590706542.db2.gz GIKOBACURJROQH-TXEJJXNPSA-N 1 0 220.272 -0.006 20 30 BBEDRO C#CCC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000879157226 590706586 /nfs/dbraw/zinc/70/65/86/590706586.db2.gz GIKOBACURJROQH-VXGBXAGGSA-N 1 0 220.272 -0.006 20 30 BBEDRO C#CC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000879157604 590705940 /nfs/dbraw/zinc/70/59/40/590705940.db2.gz KQWKZOUOCZPHIJ-GHMZBOCLSA-N 1 0 206.245 -0.396 20 30 BBEDRO C#CC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879157606 590705738 /nfs/dbraw/zinc/70/57/38/590705738.db2.gz KQWKZOUOCZPHIJ-PHIMTYICSA-N 1 0 206.245 -0.396 20 30 BBEDRO C#CC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879157607 590706596 /nfs/dbraw/zinc/70/65/96/590706596.db2.gz KQWKZOUOCZPHIJ-QWRGUYRKSA-N 1 0 206.245 -0.396 20 30 BBEDRO C#CCOCC[NH2+][C@@](C)(CO)COC ZINC000879161982 590705894 /nfs/dbraw/zinc/70/58/94/590705894.db2.gz HAGSLOPUCQFXHH-JTQLQIEISA-N 1 0 201.266 -0.377 20 30 BBEDRO C#CCOCC[NH2+][C@](C)(CO)COC ZINC000879161984 590706244 /nfs/dbraw/zinc/70/62/44/590706244.db2.gz HAGSLOPUCQFXHH-SNVBAGLBSA-N 1 0 201.266 -0.377 20 30 BBEDRO C#CCNC(=O)CN(C)Cc1c[nH]nc1C ZINC000879185005 590709514 /nfs/dbraw/zinc/70/95/14/590709514.db2.gz BHVWQZWXPVSQJV-UHFFFAOYSA-N 1 0 220.276 -0.101 20 30 BBEDRO CN1C(=O)[C@H]2C[N@H+](CCCC#N)C[C@H]2C1=O ZINC000879531629 590795384 /nfs/dbraw/zinc/79/53/84/590795384.db2.gz IHEZNCDTKJHERC-DTORHVGOSA-N 1 0 221.260 -0.163 20 30 BBEDRO CC#CC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532999 590795355 /nfs/dbraw/zinc/79/53/55/590795355.db2.gz AFEWKSSANBQAGN-DTORHVGOSA-N 1 0 206.245 -0.444 20 30 BBEDRO CC#CCC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533135 590794856 /nfs/dbraw/zinc/79/48/56/590794856.db2.gz AKIJRQQNNXNHNZ-AOOOYVTPSA-N 1 0 220.272 -0.054 20 30 BBEDRO C#CCCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533993 590795108 /nfs/dbraw/zinc/79/51/08/590795108.db2.gz KYFMLXGOXKGUMZ-AOOOYVTPSA-N 1 0 220.272 -0.054 20 30 BBEDRO COCC#CC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534224 590795084 /nfs/dbraw/zinc/79/50/84/590795084.db2.gz LXSCJVHQPPTELU-AOOOYVTPSA-N 1 0 236.271 -0.817 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534594 590795053 /nfs/dbraw/zinc/79/50/53/590795053.db2.gz TYDBSIDEWPEMNA-AEJSXWLSSA-N 1 0 238.287 -0.530 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534595 590794565 /nfs/dbraw/zinc/79/45/65/590794565.db2.gz TYDBSIDEWPEMNA-KXUCPTDWSA-N 1 0 238.287 -0.530 20 30 BBEDRO C#CCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534742 590795094 /nfs/dbraw/zinc/79/50/94/590795094.db2.gz WRQCWYOOVMSKIJ-DTORHVGOSA-N 1 0 206.245 -0.444 20 30 BBEDRO C=CCOCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535503 590795943 /nfs/dbraw/zinc/79/59/43/590795943.db2.gz ONGAIHBJUDTXIV-AOOOYVTPSA-N 1 0 238.287 -0.264 20 30 BBEDRO C#CCOCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879537307 590796751 /nfs/dbraw/zinc/79/67/51/590796751.db2.gz XNKXQFSSSCOJHF-AOOOYVTPSA-N 1 0 236.271 -0.817 20 30 BBEDRO C#CCNC(=O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567405 590805536 /nfs/dbraw/zinc/80/55/36/590805536.db2.gz PWILTEJLJPXXRI-NEPJUHHUSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCNC(=O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567406 590806366 /nfs/dbraw/zinc/80/63/66/590806366.db2.gz PWILTEJLJPXXRI-NWDGAFQWSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCNC(=O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567407 590806196 /nfs/dbraw/zinc/80/61/96/590806196.db2.gz PWILTEJLJPXXRI-RYUDHWBXSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCNC(=O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567408 590807370 /nfs/dbraw/zinc/80/73/70/590807370.db2.gz PWILTEJLJPXXRI-VXGBXAGGSA-N 1 0 235.331 -0.238 20 30 BBEDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)NCC#N)CC[C@H]21 ZINC000879573376 590810614 /nfs/dbraw/zinc/81/06/14/590810614.db2.gz NURRUEBMVCIJLU-GHMZBOCLSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)NCC#N)CC[C@@H]21 ZINC000879573377 590810602 /nfs/dbraw/zinc/81/06/02/590810602.db2.gz NURRUEBMVCIJLU-MNOVXSKESA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@H]2CN(CC(=O)NCC#N)CC[C@@H]21 ZINC000879573378 590811730 /nfs/dbraw/zinc/81/17/30/590811730.db2.gz NURRUEBMVCIJLU-QWRGUYRKSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@H]2CN(CC(=O)NCC#N)CC[C@H]21 ZINC000879573379 590808436 /nfs/dbraw/zinc/80/84/36/590808436.db2.gz NURRUEBMVCIJLU-WDEREUQCSA-N 1 0 236.319 -0.348 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609338 590827411 /nfs/dbraw/zinc/82/74/11/590827411.db2.gz RJDQIJSKTAPIRL-ZJUUUORDSA-N 1 0 201.266 -0.384 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609798 590828648 /nfs/dbraw/zinc/82/86/48/590828648.db2.gz IILYQGNNXGYZIN-AEJSXWLSSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879609799 590828762 /nfs/dbraw/zinc/82/87/62/590828762.db2.gz IILYQGNNXGYZIN-BBBLOLIVSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611660 590830908 /nfs/dbraw/zinc/83/09/08/590830908.db2.gz KXGNXCAQFHPBQC-AXFHLTTASA-N 1 0 215.293 -0.259 20 30 BBEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611661 590830776 /nfs/dbraw/zinc/83/07/76/590830776.db2.gz KXGNXCAQFHPBQC-MXWKQRLJSA-N 1 0 215.293 -0.259 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879615150 590830437 /nfs/dbraw/zinc/83/04/37/590830437.db2.gz GTCIHKYGVIFODV-JTQLQIEISA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879615151 590829843 /nfs/dbraw/zinc/82/98/43/590829843.db2.gz GTCIHKYGVIFODV-SNVBAGLBSA-N 1 0 224.304 -0.171 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@H](C)c1ccnn1C ZINC000879682914 590847652 /nfs/dbraw/zinc/84/76/52/590847652.db2.gz JMHYCYFVHIIGBN-SECBINFHSA-N 1 0 220.276 -0.180 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H](C)c1ccnn1C ZINC000879682918 590847387 /nfs/dbraw/zinc/84/73/87/590847387.db2.gz JMHYCYFVHIIGBN-VIFPVBQESA-N 1 0 220.276 -0.180 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879693547 590849814 /nfs/dbraw/zinc/84/98/14/590849814.db2.gz DKKRNWMXDKRZDM-GRYCIOLGSA-N 1 0 229.320 -0.154 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879693548 590849844 /nfs/dbraw/zinc/84/98/44/590849844.db2.gz DKKRNWMXDKRZDM-TUAOUCFPSA-N 1 0 229.320 -0.154 20 30 BBEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696504 590851749 /nfs/dbraw/zinc/85/17/49/590851749.db2.gz IPYILNKBBVXBOG-AXFHLTTASA-N 1 0 243.303 -0.363 20 30 BBEDRO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696505 590851817 /nfs/dbraw/zinc/85/18/17/590851817.db2.gz IPYILNKBBVXBOG-OUAUKWLOSA-N 1 0 243.303 -0.363 20 30 BBEDRO COCC#CC[NH+]1CCC(CO)(CO)CC1 ZINC000879970468 590900930 /nfs/dbraw/zinc/90/09/30/590900930.db2.gz SAEPENSKKVNKOE-UHFFFAOYSA-N 1 0 227.304 -0.297 20 30 BBEDRO C=C(C)[C@@H](CO)[NH+]1CCC(CO)(CO)CC1 ZINC000879970470 590900972 /nfs/dbraw/zinc/90/09/72/590900972.db2.gz SDEFWKPNUCERRM-LLVKDONJSA-N 1 0 229.320 -0.010 20 30 BBEDRO C=C(C)[C@H](CO)[NH+]1CCC(CO)(CO)CC1 ZINC000879970471 590900959 /nfs/dbraw/zinc/90/09/59/590900959.db2.gz SDEFWKPNUCERRM-NSHDSACASA-N 1 0 229.320 -0.010 20 30 BBEDRO C#CCOCC[NH+]1CCC(CO)(CO)CC1 ZINC000879971814 590902598 /nfs/dbraw/zinc/90/25/98/590902598.db2.gz FNJWXGNROGNNGA-UHFFFAOYSA-N 1 0 227.304 -0.297 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879993580 590904836 /nfs/dbraw/zinc/90/48/36/590904836.db2.gz SLWDHUSMCAESBX-CMPLNLGQSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@](C)(O)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879993582 590904767 /nfs/dbraw/zinc/90/47/67/590904767.db2.gz SLWDHUSMCAESBX-JQWIXIFHSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@](C)(O)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879993583 590904810 /nfs/dbraw/zinc/90/48/10/590904810.db2.gz SLWDHUSMCAESBX-PWSUYJOCSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879993585 590904715 /nfs/dbraw/zinc/90/47/15/590904715.db2.gz SLWDHUSMCAESBX-ZYHUDNBSSA-N 1 0 242.319 -0.504 20 30 BBEDRO C[C@H](C#N)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998134 590906535 /nfs/dbraw/zinc/90/65/35/590906535.db2.gz LQXSRRHMAOVOOG-NXEZZACHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@@H](C#N)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998135 590907109 /nfs/dbraw/zinc/90/71/09/590907109.db2.gz LQXSRRHMAOVOOG-UWVGGRQHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@@H](C#N)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998136 590907133 /nfs/dbraw/zinc/90/71/33/590907133.db2.gz LQXSRRHMAOVOOG-VHSXEESVSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@H](C#N)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998137 590906499 /nfs/dbraw/zinc/90/64/99/590906499.db2.gz LQXSRRHMAOVOOG-ZJUUUORDSA-N 1 0 225.292 -0.281 20 30 BBEDRO COCC#CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880072027 590918705 /nfs/dbraw/zinc/91/87/05/590918705.db2.gz SFVYLWKJOUVCNW-QWHCGFSZSA-N 1 0 238.331 -0.223 20 30 BBEDRO C#CCOCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880072731 590918647 /nfs/dbraw/zinc/91/86/47/590918647.db2.gz JGXWDONACDGDCZ-QWHCGFSZSA-N 1 0 238.331 -0.223 20 30 BBEDRO C[N@H+](CCCCC#N)CCS(N)(=O)=O ZINC000880082802 590922083 /nfs/dbraw/zinc/92/20/83/590922083.db2.gz OTFCZQYVBXTCNQ-UHFFFAOYSA-N 1 0 219.310 -0.099 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+](C)CCS(N)(=O)=O ZINC000880083711 590922285 /nfs/dbraw/zinc/92/22/85/590922285.db2.gz HEWZNLGMBISMCA-SECBINFHSA-N 1 0 236.337 -0.466 20 30 BBEDRO C=CCC[C@H](O)C[N@H+](C)CCS(N)(=O)=O ZINC000880083712 590921827 /nfs/dbraw/zinc/92/18/27/590921827.db2.gz HEWZNLGMBISMCA-VIFPVBQESA-N 1 0 236.337 -0.466 20 30 BBEDRO C#CCCC[N@@H+](C)CCS(N)(=O)=O ZINC000880083933 590922294 /nfs/dbraw/zinc/92/22/94/590922294.db2.gz FDKKDVWXIVJKJK-UHFFFAOYSA-N 1 0 204.295 -0.380 20 30 BBEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)NCC#N ZINC000880135031 590936571 /nfs/dbraw/zinc/93/65/71/590936571.db2.gz YMTKRWIGCCKDDS-GHMZBOCLSA-N 1 0 236.319 -0.205 20 30 BBEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)NCC#N ZINC000880135033 590936702 /nfs/dbraw/zinc/93/67/02/590936702.db2.gz YMTKRWIGCCKDDS-MNOVXSKESA-N 1 0 236.319 -0.205 20 30 BBEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)NCC#N ZINC000880135035 590936544 /nfs/dbraw/zinc/93/65/44/590936544.db2.gz YMTKRWIGCCKDDS-QWRGUYRKSA-N 1 0 236.319 -0.205 20 30 BBEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)NCC#N ZINC000880135037 590936790 /nfs/dbraw/zinc/93/67/90/590936790.db2.gz YMTKRWIGCCKDDS-WDEREUQCSA-N 1 0 236.319 -0.205 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880309558 591000421 /nfs/dbraw/zinc/00/04/21/591000421.db2.gz PMLOJEYKHPCESX-TXEJJXNPSA-N 1 0 249.314 -0.854 20 30 BBEDRO C#CCC[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880394613 591019604 /nfs/dbraw/zinc/01/96/04/591019604.db2.gz KJWJQSMYWAYXNA-UHFFFAOYSA-N 1 0 210.277 -0.024 20 30 BBEDRO C#CCOCC[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880395637 591019652 /nfs/dbraw/zinc/01/96/52/591019652.db2.gz OFFUOGXFBWTGOK-UHFFFAOYSA-N 1 0 240.303 -0.398 20 30 BBEDRO N#CCCCN1CCC(=O)NCC12COC2 ZINC000880398913 591020624 /nfs/dbraw/zinc/02/06/24/591020624.db2.gz XNXGBOMQCFKYSD-UHFFFAOYSA-N 1 0 223.276 -0.119 20 30 BBEDRO C#CCCCN1CCC(=O)NCC12COC2 ZINC000880400079 591021293 /nfs/dbraw/zinc/02/12/93/591021293.db2.gz DHXLIFJMQWIAAJ-UHFFFAOYSA-N 1 0 222.288 -0.009 20 30 BBEDRO CC#CCN1CCC(=O)NCC12COC2 ZINC000880400106 591020901 /nfs/dbraw/zinc/02/09/01/591020901.db2.gz OCEWZEZRTIOCDP-UHFFFAOYSA-N 1 0 208.261 -0.399 20 30 BBEDRO COCC#CCN1CCC(=O)NCC12COC2 ZINC000880400157 591021425 /nfs/dbraw/zinc/02/14/25/591021425.db2.gz DHMVWSPYEOWFFJ-UHFFFAOYSA-N 1 0 238.287 -0.773 20 30 BBEDRO C#CCCN1CCC(=O)NCC12COC2 ZINC000880400318 591021751 /nfs/dbraw/zinc/02/17/51/591021751.db2.gz GZPCCQDWOKATQT-UHFFFAOYSA-N 1 0 208.261 -0.399 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880418535 591027416 /nfs/dbraw/zinc/02/74/16/591027416.db2.gz BXAIXEPIBITHAI-MWLCHTKSSA-N 1 0 208.261 -0.808 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880418536 591027861 /nfs/dbraw/zinc/02/78/61/591027861.db2.gz BXAIXEPIBITHAI-ONGXEEELSA-N 1 0 208.261 -0.808 20 30 BBEDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)NCC#N ZINC000880424660 591031389 /nfs/dbraw/zinc/03/13/89/591031389.db2.gz AIIJQQKDQVMXHZ-NXEZZACHSA-N 1 0 241.291 -0.638 20 30 BBEDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)NCC#N ZINC000880424661 591030817 /nfs/dbraw/zinc/03/08/17/591030817.db2.gz AIIJQQKDQVMXHZ-UWVGGRQHSA-N 1 0 241.291 -0.638 20 30 BBEDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CC(=O)NCC#N ZINC000880424662 591031179 /nfs/dbraw/zinc/03/11/79/591031179.db2.gz AIIJQQKDQVMXHZ-VHSXEESVSA-N 1 0 241.291 -0.638 20 30 BBEDRO CO[C@H]1COCC[C@H]1[N@H+](C)CC(=O)NCC#N ZINC000880424663 591030486 /nfs/dbraw/zinc/03/04/86/591030486.db2.gz AIIJQQKDQVMXHZ-ZJUUUORDSA-N 1 0 241.291 -0.638 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880424871 591029682 /nfs/dbraw/zinc/02/96/82/591029682.db2.gz MICXNFJHFYHYAW-GHMZBOCLSA-N 1 0 240.303 -0.529 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880424878 591031301 /nfs/dbraw/zinc/03/13/01/591031301.db2.gz MICXNFJHFYHYAW-MNOVXSKESA-N 1 0 240.303 -0.529 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880424880 583532671 /nfs/dbraw/zinc/53/26/71/583532671.db2.gz MICXNFJHFYHYAW-QWRGUYRKSA-N 1 0 240.303 -0.529 20 30 BBEDRO C#CCNC(=O)C[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880424886 583532678 /nfs/dbraw/zinc/53/26/78/583532678.db2.gz MICXNFJHFYHYAW-WDEREUQCSA-N 1 0 240.303 -0.529 20 30 BBEDRO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)NCC#N ZINC000880440715 591043232 /nfs/dbraw/zinc/04/32/32/591043232.db2.gz IUQYDCOQTGPQHQ-RKDXNWHRSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)NCCC#N ZINC000880441626 591044300 /nfs/dbraw/zinc/04/43/00/591044300.db2.gz ZWEBQAWPVUEANP-NXEZZACHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC000880442468 591043481 /nfs/dbraw/zinc/04/34/81/591043481.db2.gz HVBIBLGMSYGNPF-NXEZZACHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC000880443365 591045187 /nfs/dbraw/zinc/04/51/87/591045187.db2.gz HTKXJYXMSDAEBQ-GHMZBOCLSA-N 1 0 224.304 -0.029 20 30 BBEDRO C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H](C)N1CC#N ZINC000880458172 591050699 /nfs/dbraw/zinc/05/06/99/591050699.db2.gz GXGFIPXPYUNXDB-GHMZBOCLSA-N 1 0 238.335 -0.007 20 30 BBEDRO C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)N1CC#N ZINC000880458173 591051045 /nfs/dbraw/zinc/05/10/45/591051045.db2.gz GXGFIPXPYUNXDB-PHIMTYICSA-N 1 0 238.335 -0.007 20 30 BBEDRO C[C@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)N1CC#N ZINC000880458174 591049767 /nfs/dbraw/zinc/04/97/67/591049767.db2.gz GXGFIPXPYUNXDB-QWRGUYRKSA-N 1 0 238.335 -0.007 20 30 BBEDRO C#CCC1(O)CC[NH+](CC(=O)N(C)C)CC1 ZINC000880476768 591054020 /nfs/dbraw/zinc/05/40/20/591054020.db2.gz FRUOLYGTDQUIJQ-UHFFFAOYSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CCC1(O)CC[NH+](CC(=O)NCC)CC1 ZINC000880477243 591054329 /nfs/dbraw/zinc/05/43/29/591054329.db2.gz DCDCGPDEQYPLDK-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCC1(O)CC[NH+](CC(=O)NC)CC1 ZINC000880477300 591054952 /nfs/dbraw/zinc/05/49/52/591054952.db2.gz FMUFTHCXXQFMOK-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCC1(O)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000880477784 591054832 /nfs/dbraw/zinc/05/48/32/591054832.db2.gz NSHAPOVSMKLAOP-SECBINFHSA-N 1 0 210.277 -0.290 20 30 BBEDRO C#CCC1(O)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000880477797 591049229 /nfs/dbraw/zinc/04/92/29/591049229.db2.gz NSHAPOVSMKLAOP-VIFPVBQESA-N 1 0 210.277 -0.290 20 30 BBEDRO C#CCC1(O)CC[NH+](CCOCCO)CC1 ZINC000880479434 645833058 /nfs/dbraw/zinc/83/30/58/645833058.db2.gz QKHLWHMJSNMFET-UHFFFAOYSA-N 1 0 227.304 -0.155 20 30 BBEDRO C#CCC1(O)CC[NH+](CCn2cnnn2)CC1 ZINC000880482745 591055193 /nfs/dbraw/zinc/05/51/93/591055193.db2.gz PYEWVPAOCWRYHL-UHFFFAOYSA-N 1 0 235.291 -0.477 20 30 BBEDRO C#CCC1(O)CC[NH+](CCc2nnnn2C)CC1 ZINC000880483007 591055730 /nfs/dbraw/zinc/05/57/30/591055730.db2.gz YLXMSENNTMGYCY-UHFFFAOYSA-N 1 0 249.318 -0.397 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC=C[C@@H]1CO ZINC000880488240 591062642 /nfs/dbraw/zinc/06/26/42/591062642.db2.gz ALVKRELFHDVXMK-LLVKDONJSA-N 1 0 237.303 -0.019 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC=C[C@H]1CO ZINC000880488241 591064390 /nfs/dbraw/zinc/06/43/90/591064390.db2.gz ALVKRELFHDVXMK-NSHDSACASA-N 1 0 237.303 -0.019 20 30 BBEDRO OC[C@@H]1C=CCN1CC#CC[N@@H+]1CC=C[C@H]1CO ZINC000880488306 591062869 /nfs/dbraw/zinc/06/28/69/591062869.db2.gz BXAJLMYNHMJWMD-KBPBESRZSA-N 1 0 248.326 -0.545 20 30 BBEDRO OC[C@H]1C=CCN1CC#CC[N@@H+]1CC=C[C@@H]1CO ZINC000880488308 591063398 /nfs/dbraw/zinc/06/33/98/591063398.db2.gz BXAJLMYNHMJWMD-ZIAGYGMSSA-N 1 0 248.326 -0.545 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC=C[C@H]1CO ZINC000880492133 591068731 /nfs/dbraw/zinc/06/87/31/591068731.db2.gz NZJKCAKJERZHRB-JTQLQIEISA-N 1 0 208.261 -0.641 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1CC=C[C@@H]1CO ZINC000880492134 591069715 /nfs/dbraw/zinc/06/97/15/591069715.db2.gz NZJKCAKJERZHRB-SNVBAGLBSA-N 1 0 208.261 -0.641 20 30 BBEDRO COC(=O)[C@]1(O)CC[N@H+](CCCC#N)C1 ZINC000880558964 591092887 /nfs/dbraw/zinc/09/28/87/591092887.db2.gz GLVNFXDQHGFZTJ-JTQLQIEISA-N 1 0 212.249 -0.100 20 30 BBEDRO COC(=O)[C@@]1(O)CC[N@H+](CCCC#N)C1 ZINC000880558965 591090975 /nfs/dbraw/zinc/09/09/75/591090975.db2.gz GLVNFXDQHGFZTJ-SNVBAGLBSA-N 1 0 212.249 -0.100 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880561962 591092365 /nfs/dbraw/zinc/09/23/65/591092365.db2.gz KAJAPRVRJXJMQM-CMPLNLGQSA-N 1 0 243.303 -0.077 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880561965 591092855 /nfs/dbraw/zinc/09/28/55/591092855.db2.gz KAJAPRVRJXJMQM-JQWIXIFHSA-N 1 0 243.303 -0.077 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880561966 591091597 /nfs/dbraw/zinc/09/15/97/591091597.db2.gz KAJAPRVRJXJMQM-PWSUYJOCSA-N 1 0 243.303 -0.077 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880561967 591092662 /nfs/dbraw/zinc/09/26/62/591092662.db2.gz KAJAPRVRJXJMQM-ZYHUDNBSSA-N 1 0 243.303 -0.077 20 30 BBEDRO COC(=O)[C@@]1(O)CC[N@H+](CCOCCC#N)C1 ZINC000880564699 591093366 /nfs/dbraw/zinc/09/33/66/591093366.db2.gz DPNJVLLUXOPYCP-LLVKDONJSA-N 1 0 242.275 -0.474 20 30 BBEDRO COC(=O)[C@]1(O)CC[N@H+](CCOCCC#N)C1 ZINC000880564700 591094044 /nfs/dbraw/zinc/09/40/44/591094044.db2.gz DPNJVLLUXOPYCP-NSHDSACASA-N 1 0 242.275 -0.474 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564918 591094144 /nfs/dbraw/zinc/09/41/44/591094144.db2.gz HGQSHKXUMHWWAU-LLVKDONJSA-N 1 0 229.276 -0.201 20 30 BBEDRO C=CCOCC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564919 591094543 /nfs/dbraw/zinc/09/45/43/591094543.db2.gz HGQSHKXUMHWWAU-NSHDSACASA-N 1 0 229.276 -0.201 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880565330 591086871 /nfs/dbraw/zinc/08/68/71/591086871.db2.gz COUHVUZYYKLTPM-GXSJLCMTSA-N 1 0 229.276 -0.467 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880565331 591087076 /nfs/dbraw/zinc/08/70/76/591087076.db2.gz COUHVUZYYKLTPM-KOLCDFICSA-N 1 0 229.276 -0.467 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880565332 591087214 /nfs/dbraw/zinc/08/72/14/591087214.db2.gz COUHVUZYYKLTPM-MWLCHTKSSA-N 1 0 229.276 -0.467 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880565333 591087609 /nfs/dbraw/zinc/08/76/09/591087609.db2.gz COUHVUZYYKLTPM-ONGXEEELSA-N 1 0 229.276 -0.467 20 30 BBEDRO COC(=O)[C@@]1(O)CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000880566316 591095468 /nfs/dbraw/zinc/09/54/68/591095468.db2.gz ZBLRVSLEVOYUIN-GXSJLCMTSA-N 1 0 242.275 -0.475 20 30 BBEDRO COC(=O)[C@]1(O)CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000880566317 591095606 /nfs/dbraw/zinc/09/56/06/591095606.db2.gz ZBLRVSLEVOYUIN-KOLCDFICSA-N 1 0 242.275 -0.475 20 30 BBEDRO COC(=O)[C@@]1(O)CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000880566318 591096873 /nfs/dbraw/zinc/09/68/73/591096873.db2.gz ZBLRVSLEVOYUIN-MWLCHTKSSA-N 1 0 242.275 -0.475 20 30 BBEDRO COC(=O)[C@]1(O)CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000880566319 591096696 /nfs/dbraw/zinc/09/66/96/591096696.db2.gz ZBLRVSLEVOYUIN-ONGXEEELSA-N 1 0 242.275 -0.475 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566999 591096575 /nfs/dbraw/zinc/09/65/75/591096575.db2.gz CXSGBJIYTXQNOV-LLVKDONJSA-N 1 0 227.260 -0.754 20 30 BBEDRO C#CCOCC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880567000 591095941 /nfs/dbraw/zinc/09/59/41/591095941.db2.gz CXSGBJIYTXQNOV-NSHDSACASA-N 1 0 227.260 -0.754 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCc2ncncc2C1 ZINC000880599135 591107307 /nfs/dbraw/zinc/10/73/07/591107307.db2.gz GLAQESGYLKZHPY-UHFFFAOYSA-N 1 0 244.298 -0.026 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)NCCN(C)OC ZINC000880642677 591113716 /nfs/dbraw/zinc/11/37/16/591113716.db2.gz NVGXWRYVIUEWKY-NSHDSACASA-N 1 0 239.319 -0.307 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000882338724 591333604 /nfs/dbraw/zinc/33/36/04/591333604.db2.gz SMOFMGJUPRXYEJ-JSGCOSHPSA-N 1 0 248.326 -0.075 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000882338726 591333843 /nfs/dbraw/zinc/33/38/43/591333843.db2.gz SMOFMGJUPRXYEJ-TZMCWYRMSA-N 1 0 248.326 -0.075 20 30 BBEDRO C#CC[C@@H](CO)NS(=O)(=O)CCC[NH+](C)C ZINC000882339951 591334031 /nfs/dbraw/zinc/33/40/31/591334031.db2.gz LKTNRDWZEGFUCM-JTQLQIEISA-N 1 0 248.348 -0.758 20 30 BBEDRO C#CC[C@H](CO)NS(=O)(=O)CCC[NH+](C)C ZINC000882339952 591333856 /nfs/dbraw/zinc/33/38/56/591333856.db2.gz LKTNRDWZEGFUCM-SNVBAGLBSA-N 1 0 248.348 -0.758 20 30 BBEDRO C#CC[N@H+](C)CCCNc1cc(C(N)=O)ncn1 ZINC000882402341 591343374 /nfs/dbraw/zinc/34/33/74/591343374.db2.gz CHLOLRLZVVHGKL-UHFFFAOYSA-N 1 0 247.302 -0.058 20 30 BBEDRO C#CC[N@H+](C)CCCNc1nccnc1C(N)=O ZINC000882402420 591343138 /nfs/dbraw/zinc/34/31/38/591343138.db2.gz GDWXFRVHHXNGRB-UHFFFAOYSA-N 1 0 247.302 -0.058 20 30 BBEDRO C#CCC1(O)CCN(C(=O)C[NH+](C)C)CC1 ZINC000882523198 645843439 /nfs/dbraw/zinc/84/34/39/645843439.db2.gz KQJCKIWOUODFKV-UHFFFAOYSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CC1(F)CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000882886446 591463578 /nfs/dbraw/zinc/46/35/78/591463578.db2.gz UTGSOESEJFPBER-UHFFFAOYSA-N 1 0 208.200 -0.803 20 30 BBEDRO C=C(C)C[C@H](CO)NC(=O)C[NH+](C)C ZINC000882893917 591466644 /nfs/dbraw/zinc/46/66/44/591466644.db2.gz FSBXRZRTGNCLFK-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C)C[C@@H](CO)NC(=O)C[NH+](C)C ZINC000882893918 591466378 /nfs/dbraw/zinc/46/63/78/591466378.db2.gz FSBXRZRTGNCLFK-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C)C[C@H](CO)NC(=O)[C@H]1CN(C)CCO1 ZINC000882895225 591467626 /nfs/dbraw/zinc/46/76/26/591467626.db2.gz IHOZINLXHPCYMY-GHMZBOCLSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CN(C)CCO1 ZINC000882895226 591468356 /nfs/dbraw/zinc/46/83/56/591468356.db2.gz IHOZINLXHPCYMY-MNOVXSKESA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CN(C)CCO1 ZINC000882895227 591468254 /nfs/dbraw/zinc/46/82/54/591468254.db2.gz IHOZINLXHPCYMY-QWRGUYRKSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C(C)C[C@@H](CO)NC(=O)[C@H]1CN(C)CCO1 ZINC000882895228 591467368 /nfs/dbraw/zinc/46/73/68/591467368.db2.gz IHOZINLXHPCYMY-WDEREUQCSA-N 1 0 242.319 -0.240 20 30 BBEDRO C#CC[C@H](CO)[NH2+]Cc1cnnn1CC ZINC000883125327 591544988 /nfs/dbraw/zinc/54/49/88/591544988.db2.gz FOHIRYGNSGDSRI-SECBINFHSA-N 1 0 208.265 -0.228 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]Cc1cnnn1CC ZINC000883125328 591544394 /nfs/dbraw/zinc/54/43/94/591544394.db2.gz FOHIRYGNSGDSRI-VIFPVBQESA-N 1 0 208.265 -0.228 20 30 BBEDRO C#CC[N@H+](C)CCCNCc1cnc(N)nc1N ZINC000883131327 591546654 /nfs/dbraw/zinc/54/66/54/591546654.db2.gz WBPIIEPNSRWQQO-UHFFFAOYSA-N 1 0 248.334 -0.314 20 30 BBEDRO C#CC1(NCc2cn(CC(N)=O)nn2)CCCC1 ZINC000883362047 591630294 /nfs/dbraw/zinc/63/02/94/591630294.db2.gz SPNBDEFSIYBPFY-UHFFFAOYSA-N 1 0 247.302 -0.201 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000883651594 591710420 /nfs/dbraw/zinc/71/04/20/591710420.db2.gz DESTVPQYGZTUJG-JTQLQIEISA-N 1 0 237.303 -0.582 20 30 BBEDRO C=C[C@H](CO)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883900367 591767404 /nfs/dbraw/zinc/76/74/04/591767404.db2.gz IZDMKTALMYPGNR-NXEZZACHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=C[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883900368 591767411 /nfs/dbraw/zinc/76/74/11/591767411.db2.gz IZDMKTALMYPGNR-ZJUUUORDSA-N 1 0 227.308 -0.073 20 30 BBEDRO N#Cc1ccc(C(=O)N2CC[NH2+]CC2)[nH]1 ZINC000884007869 591795334 /nfs/dbraw/zinc/79/53/34/591795334.db2.gz RWASVHZPBLCOTQ-UHFFFAOYSA-N 1 0 204.233 -0.068 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)NCCC[NH2+]C ZINC000884012375 591798478 /nfs/dbraw/zinc/79/84/78/591798478.db2.gz JBCASZMCQAIYKE-VIFPVBQESA-N 1 0 243.307 -0.841 20 30 BBEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)[nH]1 ZINC000884016486 645865777 /nfs/dbraw/zinc/86/57/77/645865777.db2.gz XHQXAWXWOVEBDK-MRVPVSSYSA-N 1 0 204.233 -0.022 20 30 BBEDRO N#Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)[nH]1 ZINC000884016487 645866133 /nfs/dbraw/zinc/86/61/33/645866133.db2.gz XHQXAWXWOVEBDK-QMMMGPOBSA-N 1 0 204.233 -0.022 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)NCC[NH2+]CC ZINC000884023712 591805160 /nfs/dbraw/zinc/80/51/60/591805160.db2.gz UNRQAFJPYMHHEV-VIFPVBQESA-N 1 0 243.307 -0.841 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000884032321 591816351 /nfs/dbraw/zinc/81/63/51/591816351.db2.gz OCFFODOTSJZDPX-BDAKNGLRSA-N 1 0 243.307 -0.761 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000884032322 591816203 /nfs/dbraw/zinc/81/62/03/591816203.db2.gz OCFFODOTSJZDPX-IUCAKERBSA-N 1 0 243.307 -0.761 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N(C)CCC[NH3+] ZINC000884036394 591817628 /nfs/dbraw/zinc/81/76/28/591817628.db2.gz UPMWQTFHMQTJML-VIFPVBQESA-N 1 0 243.307 -0.760 20 30 BBEDRO CN1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C[NH3+])C1 ZINC000884042104 591823568 /nfs/dbraw/zinc/82/35/68/591823568.db2.gz QHFYQNCPKMZJRC-JTQLQIEISA-N 1 0 247.302 -0.399 20 30 BBEDRO CN1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C[NH3+])C1 ZINC000884042105 591823249 /nfs/dbraw/zinc/82/32/49/591823249.db2.gz QHFYQNCPKMZJRC-SNVBAGLBSA-N 1 0 247.302 -0.399 20 30 BBEDRO N#Cc1ccc(C(=O)NCC2C[NH2+]C2)[nH]1 ZINC000884241715 643457765 /nfs/dbraw/zinc/45/77/65/643457765.db2.gz ABMQZSLDFZTSHJ-UHFFFAOYSA-N 1 0 204.233 -0.164 20 30 BBEDRO COCC[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC000884242014 591878693 /nfs/dbraw/zinc/87/86/93/591878693.db2.gz IIFICKMAWVKEAT-UHFFFAOYSA-N 1 0 236.275 -0.148 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N(C)CC[NH2+]C ZINC000884242714 591878955 /nfs/dbraw/zinc/87/89/55/591878955.db2.gz GIHDKPWQZQETPT-VIFPVBQESA-N 1 0 243.307 -0.889 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)NCC[NH+](C)C ZINC000884285054 591893461 /nfs/dbraw/zinc/89/34/61/591893461.db2.gz YKXQYRLLSKYTKY-VIFPVBQESA-N 1 0 243.307 -0.889 20 30 BBEDRO N#Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)[nH]1 ZINC000884302730 591899303 /nfs/dbraw/zinc/89/93/03/591899303.db2.gz XPMIBLNETVUDHN-JTQLQIEISA-N 1 0 248.286 -0.005 20 30 BBEDRO N#Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)[nH]1 ZINC000884302731 591899657 /nfs/dbraw/zinc/89/96/57/591899657.db2.gz XPMIBLNETVUDHN-SNVBAGLBSA-N 1 0 248.286 -0.005 20 30 BBEDRO N#Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)[nH]1 ZINC000884339036 584950496 /nfs/dbraw/zinc/95/04/96/584950496.db2.gz AAUXHJSLZLCJQI-SECBINFHSA-N 1 0 234.259 -0.395 20 30 BBEDRO N#Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)[nH]1 ZINC000884339037 584950437 /nfs/dbraw/zinc/95/04/37/584950437.db2.gz AAUXHJSLZLCJQI-VIFPVBQESA-N 1 0 234.259 -0.395 20 30 BBEDRO C#CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884380876 591920442 /nfs/dbraw/zinc/92/04/42/591920442.db2.gz ONJRDSAOHXLCDE-UHFFFAOYSA-N 1 0 244.298 -0.146 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N[C@H](C)C[NH2+]C ZINC000884420387 591929641 /nfs/dbraw/zinc/92/96/41/591929641.db2.gz RCGBSGHVOBPRFL-BDAKNGLRSA-N 1 0 243.307 -0.843 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H](C)C[NH2+]C ZINC000884420388 591929610 /nfs/dbraw/zinc/92/96/10/591929610.db2.gz RCGBSGHVOBPRFL-IUCAKERBSA-N 1 0 243.307 -0.843 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N(CC)CC[NH3+] ZINC000884432015 591932365 /nfs/dbraw/zinc/93/23/65/591932365.db2.gz PBLCUIHTHWVSJQ-VIFPVBQESA-N 1 0 243.307 -0.760 20 30 BBEDRO C[NH2+]CCOCCNC(=O)c1ccc(C#N)[nH]1 ZINC000884435229 591933632 /nfs/dbraw/zinc/93/36/32/591933632.db2.gz PFZNUDYKFCMRMH-UHFFFAOYSA-N 1 0 236.275 -0.148 20 30 BBEDRO N#Cc1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)[nH]1 ZINC000884436392 591934556 /nfs/dbraw/zinc/93/45/56/591934556.db2.gz DTAHQIJLQSJUNX-SECBINFHSA-N 1 0 234.259 -0.395 20 30 BBEDRO N#Cc1ccc(C(=O)NC[C@H]2COCC[NH2+]2)[nH]1 ZINC000884436393 591934560 /nfs/dbraw/zinc/93/45/60/591934560.db2.gz DTAHQIJLQSJUNX-VIFPVBQESA-N 1 0 234.259 -0.395 20 30 BBEDRO CN(CCOCC[NH3+])C(=O)c1ccc(C#N)[nH]1 ZINC000884439155 591934622 /nfs/dbraw/zinc/93/46/22/591934622.db2.gz WAJZHRJVQGSRHX-UHFFFAOYSA-N 1 0 236.275 -0.066 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000884444665 591936797 /nfs/dbraw/zinc/93/67/97/591936797.db2.gz RKLBTPHUDABTTI-BDAKNGLRSA-N 1 0 243.307 -0.761 20 30 BBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000884444666 591936893 /nfs/dbraw/zinc/93/68/93/591936893.db2.gz RKLBTPHUDABTTI-IUCAKERBSA-N 1 0 243.307 -0.761 20 30 BBEDRO C=C(C)C[C@@H](NC(=O)[C@H](C[NH3+])OC)C(=O)OC ZINC000884462165 591941772 /nfs/dbraw/zinc/94/17/72/591941772.db2.gz XAWZYARZFNPZRY-BDAKNGLRSA-N 1 0 244.291 -0.416 20 30 BBEDRO C=C(C)C[C@H](NC(=O)[C@H](C[NH3+])OC)C(=O)OC ZINC000884462166 591942367 /nfs/dbraw/zinc/94/23/67/591942367.db2.gz XAWZYARZFNPZRY-IUCAKERBSA-N 1 0 244.291 -0.416 20 30 BBEDRO C[N@H+](CCO)CCNc1nccnc1C#N ZINC000884824653 592021994 /nfs/dbraw/zinc/02/19/94/592021994.db2.gz GFXQIAOIDLSARH-UHFFFAOYSA-N 1 0 221.264 -0.316 20 30 BBEDRO C[N@H+](CCO)CCNc1ccc(C#N)nn1 ZINC000884824678 592022666 /nfs/dbraw/zinc/02/26/66/592022666.db2.gz HIUZHYCATCXSQO-UHFFFAOYSA-N 1 0 221.264 -0.316 20 30 BBEDRO C[N@H+](CCO)CCNc1cnc(C#N)cn1 ZINC000884824711 592022946 /nfs/dbraw/zinc/02/29/46/592022946.db2.gz JRVWAXUKDXKDGO-UHFFFAOYSA-N 1 0 221.264 -0.316 20 30 BBEDRO C[N@H+](CCO)CCNc1ccnc(C#N)c1 ZINC000884824751 592022085 /nfs/dbraw/zinc/02/20/85/592022085.db2.gz MCHKUKULLSVUSJ-UHFFFAOYSA-N 1 0 220.276 -0.289 20 30 BBEDRO Cc1cc(C#N)nc(NCC[N@H+](C)CCO)n1 ZINC000884825015 592022917 /nfs/dbraw/zinc/02/29/17/592022917.db2.gz AOSLPQAYEHRETE-UHFFFAOYSA-N 1 0 235.291 -0.007 20 30 BBEDRO C[N@H+](CCO)CCNc1cncc(C#N)n1 ZINC000884825039 592022861 /nfs/dbraw/zinc/02/28/61/592022861.db2.gz BXKQLTHOADARGB-UHFFFAOYSA-N 1 0 221.264 -0.316 20 30 BBEDRO C[N@H+](CCO)CCNc1cc(C#N)cnn1 ZINC000884825110 592023716 /nfs/dbraw/zinc/02/37/16/592023716.db2.gz FNBZPTRJIVYVTR-UHFFFAOYSA-N 1 0 221.264 -0.316 20 30 BBEDRO Cc1nc(C#N)cc(NCC[N@H+](C)CCO)n1 ZINC000884825120 592023431 /nfs/dbraw/zinc/02/34/31/592023431.db2.gz GNNPQSZVQLRXLB-UHFFFAOYSA-N 1 0 235.291 -0.007 20 30 BBEDRO C#Cc1cnc(NCC[N@H+](C)CCO)nc1 ZINC000884825183 592023731 /nfs/dbraw/zinc/02/37/31/592023731.db2.gz JYSQIIWDSLMLQF-UHFFFAOYSA-N 1 0 220.276 -0.206 20 30 BBEDRO C[N@H+](CCO)CCNc1ncncc1C#N ZINC000884825211 592023471 /nfs/dbraw/zinc/02/34/71/592023471.db2.gz LJRWNKJNUUYKJY-UHFFFAOYSA-N 1 0 221.264 -0.894 20 30 BBEDRO Cn1ncc(C#N)c1NCC[N@H+](C)CCO ZINC000884825273 592023927 /nfs/dbraw/zinc/02/39/27/592023927.db2.gz ODAGMVULAICJHZ-UHFFFAOYSA-N 1 0 223.280 -0.372 20 30 BBEDRO C[N@H+](CCO)CCNc1ccnc(C#N)n1 ZINC000884825327 592023531 /nfs/dbraw/zinc/02/35/31/592023531.db2.gz QHMDKUKWWWFDFR-UHFFFAOYSA-N 1 0 221.264 -0.894 20 30 BBEDRO C[N@H+](CCO)CCNc1cc(C#N)ncn1 ZINC000884825401 592023661 /nfs/dbraw/zinc/02/36/61/592023661.db2.gz VFPUHYMNCGVBLL-UHFFFAOYSA-N 1 0 221.264 -0.316 20 30 BBEDRO C[N@H+](CCO)CCNc1ccc(C#N)c(N)n1 ZINC000884825457 592023796 /nfs/dbraw/zinc/02/37/96/592023796.db2.gz XZQOUABNBBPJCX-UHFFFAOYSA-N 1 0 235.291 -0.129 20 30 BBEDRO C[N@H+](CCO)CCNc1ccncc1C#N ZINC000884825480 592024097 /nfs/dbraw/zinc/02/40/97/592024097.db2.gz ZATOVGMSXZIZOQ-UHFFFAOYSA-N 1 0 220.276 -0.289 20 30 BBEDRO C=CCN(C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885196917 592056935 /nfs/dbraw/zinc/05/69/35/592056935.db2.gz OBRBJNYVOAMOIR-UHFFFAOYSA-N 1 0 227.308 -0.126 20 30 BBEDRO N#CC1(C[C@H](O)CN2CCNC(=O)C2)CCC1 ZINC000885933587 592110952 /nfs/dbraw/zinc/11/09/52/592110952.db2.gz YOKGQVATHPZZML-JTQLQIEISA-N 1 0 237.303 -0.137 20 30 BBEDRO N#CC1(C[C@@H](O)CN2CCNC(=O)C2)CCC1 ZINC000885933588 592110700 /nfs/dbraw/zinc/11/07/00/592110700.db2.gz YOKGQVATHPZZML-SNVBAGLBSA-N 1 0 237.303 -0.137 20 30 BBEDRO C[N@@H+](CC(N)=O)C[C@H](O)CC1(C#N)CCC1 ZINC000885954153 592114851 /nfs/dbraw/zinc/11/48/51/592114851.db2.gz OWAPKRDQGDJIQR-SECBINFHSA-N 1 0 225.292 -0.152 20 30 BBEDRO C[N@@H+](CC(N)=O)C[C@@H](O)CC1(C#N)CCC1 ZINC000885954154 592114739 /nfs/dbraw/zinc/11/47/39/592114739.db2.gz OWAPKRDQGDJIQR-VIFPVBQESA-N 1 0 225.292 -0.152 20 30 BBEDRO N#CC1(C[C@@H](O)C[NH+](CCO)CCO)CCC1 ZINC000885985188 592121819 /nfs/dbraw/zinc/12/18/19/592121819.db2.gz BAQVRPMTIKVXDF-LLVKDONJSA-N 1 0 242.319 -0.282 20 30 BBEDRO N#CC1(C[C@H](O)C[NH+](CCO)CCO)CCC1 ZINC000885985189 592122007 /nfs/dbraw/zinc/12/20/07/592122007.db2.gz BAQVRPMTIKVXDF-NSHDSACASA-N 1 0 242.319 -0.282 20 30 BBEDRO N#CC1(C[C@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CCC1 ZINC000886030074 592135496 /nfs/dbraw/zinc/13/54/96/592135496.db2.gz GDLGJAUXJZUVPD-GARJFASQSA-N 1 0 240.303 -0.531 20 30 BBEDRO N#CC1(C[C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CCC1 ZINC000886030084 592135974 /nfs/dbraw/zinc/13/59/74/592135974.db2.gz GDLGJAUXJZUVPD-MXWKQRLJSA-N 1 0 240.303 -0.531 20 30 BBEDRO N#CC1(C[C@H](O)C[NH2+]C(CO)CO)CCC1 ZINC000886228725 592180507 /nfs/dbraw/zinc/18/05/07/592180507.db2.gz FGUMVSOZYFTQHI-JTQLQIEISA-N 1 0 228.292 -0.626 20 30 BBEDRO N#CC1(C[C@@H](O)C[NH2+]C(CO)CO)CCC1 ZINC000886228726 592180581 /nfs/dbraw/zinc/18/05/81/592180581.db2.gz FGUMVSOZYFTQHI-SNVBAGLBSA-N 1 0 228.292 -0.626 20 30 BBEDRO N#Cc1csc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000886247488 592185883 /nfs/dbraw/zinc/18/58/83/592185883.db2.gz SJAMBUDSGKMBDW-VJKWBMGZSA-N 1 0 239.300 -0.011 20 30 BBEDRO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886326706 592208741 /nfs/dbraw/zinc/20/87/41/592208741.db2.gz QEAGJIRIWCJXAU-DTORHVGOSA-N 1 0 223.276 -0.050 20 30 BBEDRO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886336620 592211922 /nfs/dbraw/zinc/21/19/22/592211922.db2.gz UJDUOFVNTCQNHL-BETUJISGSA-N 1 0 247.342 -0.285 20 30 BBEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000886353252 592215301 /nfs/dbraw/zinc/21/53/01/592215301.db2.gz FIGPIUVLQQFNBC-MRVPVSSYSA-N 1 0 209.249 -0.474 20 30 BBEDRO C#CC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000886353253 592215373 /nfs/dbraw/zinc/21/53/73/592215373.db2.gz FIGPIUVLQQFNBC-QMMMGPOBSA-N 1 0 209.249 -0.474 20 30 BBEDRO C#CC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000886355343 645885501 /nfs/dbraw/zinc/88/55/01/645885501.db2.gz GWTVKUFDYYHIKB-JTQLQIEISA-N 1 0 235.287 -0.117 20 30 BBEDRO C#CC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000886355344 645885544 /nfs/dbraw/zinc/88/55/44/645885544.db2.gz GWTVKUFDYYHIKB-SNVBAGLBSA-N 1 0 235.287 -0.117 20 30 BBEDRO C#CC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC000886357083 592216087 /nfs/dbraw/zinc/21/60/87/592216087.db2.gz AQNWWXFTSYQZEO-JTQLQIEISA-N 1 0 205.261 -0.029 20 30 BBEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC000886357084 592216578 /nfs/dbraw/zinc/21/65/78/592216578.db2.gz AQNWWXFTSYQZEO-SNVBAGLBSA-N 1 0 205.261 -0.029 20 30 BBEDRO C#CC[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000886357213 592216143 /nfs/dbraw/zinc/21/61/43/592216143.db2.gz CMOMMTUZMICVOK-JTQLQIEISA-N 1 0 230.333 -0.119 20 30 BBEDRO C#CC[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000886357214 592216051 /nfs/dbraw/zinc/21/60/51/592216051.db2.gz CMOMMTUZMICVOK-SNVBAGLBSA-N 1 0 230.333 -0.119 20 30 BBEDRO C#CC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000886364011 592218969 /nfs/dbraw/zinc/21/89/69/592218969.db2.gz MCLRAEYKZSJYEE-SECBINFHSA-N 1 0 220.276 -0.046 20 30 BBEDRO C#CC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000886364012 592218405 /nfs/dbraw/zinc/21/84/05/592218405.db2.gz MCLRAEYKZSJYEE-VIFPVBQESA-N 1 0 220.276 -0.046 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1CCCn2nncc2C1 ZINC000886450033 592226208 /nfs/dbraw/zinc/22/62/08/592226208.db2.gz KQIKKVSNYJPBPL-JTQLQIEISA-N 1 0 247.302 -0.378 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1CCCn2nncc2C1 ZINC000886450034 592226103 /nfs/dbraw/zinc/22/61/03/592226103.db2.gz KQIKKVSNYJPBPL-SNVBAGLBSA-N 1 0 247.302 -0.378 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1CCCn2nncc2C1 ZINC000886465160 592228628 /nfs/dbraw/zinc/22/86/28/592228628.db2.gz UNXNAWUPPWMMPQ-UHFFFAOYSA-N 1 0 247.302 -0.377 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000886515519 592242022 /nfs/dbraw/zinc/24/20/22/592242022.db2.gz KRFGHCQYTLASRE-IVZWLZJFSA-N 1 0 201.266 -0.385 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000886515520 592242091 /nfs/dbraw/zinc/24/20/91/592242091.db2.gz KRFGHCQYTLASRE-OPRDCNLKSA-N 1 0 201.266 -0.385 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886559652 645888999 /nfs/dbraw/zinc/88/89/99/645888999.db2.gz ALFGPGMLZHKPDO-DTORHVGOSA-N 1 0 225.317 -0.079 20 30 BBEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886573066 592266036 /nfs/dbraw/zinc/26/60/36/592266036.db2.gz QXDGUUFNJWDPNC-GRYCIOLGSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CCN(C(=O)[C@H]1CC(=O)N1)C1CC[NH+](C)CC1 ZINC000886574515 592267605 /nfs/dbraw/zinc/26/76/05/592267605.db2.gz JDYLSYDSIRXQKP-LLVKDONJSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCN(C(=O)[C@@H]1CC(=O)N1)C1CC[NH+](C)CC1 ZINC000886574516 592266961 /nfs/dbraw/zinc/26/69/61/592266961.db2.gz JDYLSYDSIRXQKP-NSHDSACASA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CCN(C(=O)[C@H](C)O)C1CC[NH+](C)CC1 ZINC000886577585 592267621 /nfs/dbraw/zinc/26/76/21/592267621.db2.gz OLRIADGLRSSVEY-JTQLQIEISA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CCN(C(=O)[C@@H](C)O)C1CC[NH+](C)CC1 ZINC000886577586 592267561 /nfs/dbraw/zinc/26/75/61/592267561.db2.gz OLRIADGLRSSVEY-SNVBAGLBSA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CCN(C(=O)CO)C1CC[NH+](C)CC1 ZINC000886578897 592267006 /nfs/dbraw/zinc/26/70/06/592267006.db2.gz QBCFUMHOSDTPFY-UHFFFAOYSA-N 1 0 210.277 -0.465 20 30 BBEDRO C#CCN(C(=O)c1nc[nH]n1)C1CC[NH+](C)CC1 ZINC000886579641 592269499 /nfs/dbraw/zinc/26/94/99/592269499.db2.gz CGIBOHCAOPZQOF-UHFFFAOYSA-N 1 0 247.302 -0.026 20 30 BBEDRO C#CCN(C(=O)CC(N)=O)C1CC[NH+](C)CC1 ZINC000886581491 592269197 /nfs/dbraw/zinc/26/91/97/592269197.db2.gz YVACUZHTUCGOJS-UHFFFAOYSA-N 1 0 237.303 -0.582 20 30 BBEDRO C#CCNC(=O)C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886621024 592277291 /nfs/dbraw/zinc/27/72/91/592277291.db2.gz ZAQYFJYGFMAMKN-DGCLKSJQSA-N 1 0 236.315 -0.027 20 30 BBEDRO N#CCNC(=O)C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886627071 592281150 /nfs/dbraw/zinc/28/11/50/592281150.db2.gz RXAXNRGXZVVQLV-ZYHUDNBSSA-N 1 0 237.303 -0.137 20 30 BBEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000886659246 592293691 /nfs/dbraw/zinc/29/36/91/592293691.db2.gz HPPJJGHIAJEDON-GHMZBOCLSA-N 1 0 223.320 -0.063 20 30 BBEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000886659247 592292920 /nfs/dbraw/zinc/29/29/20/592292920.db2.gz HPPJJGHIAJEDON-MNOVXSKESA-N 1 0 223.320 -0.063 20 30 BBEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000886659248 592291971 /nfs/dbraw/zinc/29/19/71/592291971.db2.gz HPPJJGHIAJEDON-QWRGUYRKSA-N 1 0 223.320 -0.063 20 30 BBEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000886659249 592291875 /nfs/dbraw/zinc/29/18/75/592291875.db2.gz HPPJJGHIAJEDON-WDEREUQCSA-N 1 0 223.320 -0.063 20 30 BBEDRO C#CC[NH+]1CCC(O)(COCCO)CC1 ZINC000886737014 592313700 /nfs/dbraw/zinc/31/37/00/592313700.db2.gz PTWPEOPJHQMUKV-UHFFFAOYSA-N 1 0 213.277 -0.545 20 30 BBEDRO CC#CC[NH+]1CCC(O)(COCCO)CC1 ZINC000886741045 592314331 /nfs/dbraw/zinc/31/43/31/592314331.db2.gz SELSFPGPDLNVTA-UHFFFAOYSA-N 1 0 227.304 -0.155 20 30 BBEDRO C#CCC[NH+]1CCC(O)(COCCO)CC1 ZINC000886747253 592315937 /nfs/dbraw/zinc/31/59/37/592315937.db2.gz PBIRZFMJMFBYMF-UHFFFAOYSA-N 1 0 227.304 -0.155 20 30 BBEDRO C=CCC1(O)CC[NH+](CCS(N)(=O)=O)CC1 ZINC000886764612 592317940 /nfs/dbraw/zinc/31/79/40/592317940.db2.gz WWLQLACTWFZSCN-UHFFFAOYSA-N 1 0 248.348 -0.322 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1COC ZINC000886864188 592374281 /nfs/dbraw/zinc/37/42/81/592374281.db2.gz GIRBCROJBZLKMN-LLVKDONJSA-N 1 0 242.319 -0.022 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1COC ZINC000886864189 592373821 /nfs/dbraw/zinc/37/38/21/592373821.db2.gz GIRBCROJBZLKMN-NSHDSACASA-N 1 0 242.319 -0.022 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H](CO)C1 ZINC000886888588 592386749 /nfs/dbraw/zinc/38/67/49/592386749.db2.gz KJBBJZSFDKLZNZ-MGCOHNPYSA-N 1 0 212.293 -0.009 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H](C(N)=O)[C@@H](C)CC ZINC000887055634 592433084 /nfs/dbraw/zinc/43/30/84/592433084.db2.gz CMZDEMHAYSHOTG-ONGXEEELSA-N 1 0 239.319 -0.385 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000887065992 592433792 /nfs/dbraw/zinc/43/37/92/592433792.db2.gz AKKMGXIXVIDNAS-JTQLQIEISA-N 1 0 237.303 -0.712 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000887065993 592434127 /nfs/dbraw/zinc/43/41/27/592434127.db2.gz AKKMGXIXVIDNAS-SNVBAGLBSA-N 1 0 237.303 -0.712 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000887066107 592434641 /nfs/dbraw/zinc/43/46/41/592434641.db2.gz CXWMZUXLCIGUKD-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000887066108 592434537 /nfs/dbraw/zinc/43/45/37/592434537.db2.gz CXWMZUXLCIGUKD-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887084649 592437726 /nfs/dbraw/zinc/43/77/26/592437726.db2.gz AZENXOXZDBZCMX-SECBINFHSA-N 1 0 223.276 -0.972 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887084995 592437437 /nfs/dbraw/zinc/43/74/37/592437437.db2.gz ZQQRGQVDYSXMFK-SECBINFHSA-N 1 0 225.292 -0.420 20 30 BBEDRO CC#CC[NH2+]C1(C(=O)NC)CCOCC1 ZINC000887086343 592437519 /nfs/dbraw/zinc/43/75/19/592437519.db2.gz HHQNPJYQGNMDIW-UHFFFAOYSA-N 1 0 210.277 -0.106 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887088004 592439114 /nfs/dbraw/zinc/43/91/14/592439114.db2.gz IXJZYRVLOXAJBV-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO CNC(=O)C1([NH2+]CC#CCOC)CCOCC1 ZINC000887089587 592439045 /nfs/dbraw/zinc/43/90/45/592439045.db2.gz JKSVYPCIGMTQSD-UHFFFAOYSA-N 1 0 240.303 -0.479 20 30 BBEDRO C#CCOCC[NH2+]C1(C(=O)NC)CCOCC1 ZINC000887091778 592438659 /nfs/dbraw/zinc/43/86/59/592438659.db2.gz WAILCKHHJLBKGW-UHFFFAOYSA-N 1 0 240.303 -0.479 20 30 BBEDRO C#CCC1([NH2+]CCn2cnnn2)CCOCC1 ZINC000887120319 592444252 /nfs/dbraw/zinc/44/42/52/592444252.db2.gz BTPAADQYQRMOFL-UHFFFAOYSA-N 1 0 235.291 -0.165 20 30 BBEDRO C#CCC1([NH2+]Cc2nnnn2C)CCOCC1 ZINC000887124865 592447679 /nfs/dbraw/zinc/44/76/79/592447679.db2.gz YDFTXXVXTLBOBX-UHFFFAOYSA-N 1 0 235.291 -0.128 20 30 BBEDRO C#CCNC(=O)C[NH2+]C1(CC#C)CCOCC1 ZINC000887127554 592447068 /nfs/dbraw/zinc/44/70/68/592447068.db2.gz SELFOCNDQFRCJZ-UHFFFAOYSA-N 1 0 234.299 -0.102 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC)CO ZINC000887268436 592473372 /nfs/dbraw/zinc/47/33/72/592473372.db2.gz LPVGUEDGHHKBRC-BDAKNGLRSA-N 1 0 243.307 -0.253 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CC)CO ZINC000887268437 592473032 /nfs/dbraw/zinc/47/30/32/592473032.db2.gz LPVGUEDGHHKBRC-DTWKUNHWSA-N 1 0 243.307 -0.253 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CC)CO ZINC000887268438 592473285 /nfs/dbraw/zinc/47/32/85/592473285.db2.gz LPVGUEDGHHKBRC-IUCAKERBSA-N 1 0 243.307 -0.253 20 30 BBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CC)CO ZINC000887268439 592472833 /nfs/dbraw/zinc/47/28/33/592472833.db2.gz LPVGUEDGHHKBRC-RKDXNWHRSA-N 1 0 243.307 -0.253 20 30 BBEDRO CCNC(NCCN1CCNC1=O)=[NH+]CC ZINC000887323772 592480637 /nfs/dbraw/zinc/48/06/37/592480637.db2.gz HCJXYJMVQVMPNV-UHFFFAOYSA-N 1 0 227.312 -0.413 20 30 BBEDRO CNC(NC[C@@H]1[C@H](C(=O)OC)C1(F)F)=[NH+]C ZINC000887323857 592481075 /nfs/dbraw/zinc/48/10/75/592481075.db2.gz JSWWGUQAHBOJQQ-PHDIDXHHSA-N 1 0 235.234 -0.165 20 30 BBEDRO CNC(NCC1(S(=O)(=O)N(C)C)CC1)=[NH+]C ZINC000887323891 592480842 /nfs/dbraw/zinc/48/08/42/592480842.db2.gz KUIUWOCWZCEZEX-UHFFFAOYSA-N 1 0 248.352 -0.795 20 30 BBEDRO CNC(NCc1nc(CSC)n[nH]1)=[NH+]C ZINC000887324261 592481139 /nfs/dbraw/zinc/48/11/39/592481139.db2.gz XGKVYPRZCYHGCU-UHFFFAOYSA-N 1 0 228.325 -0.038 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NCC(F)F ZINC000887356474 592488669 /nfs/dbraw/zinc/48/86/69/592488669.db2.gz DMWXARBKFVHPBI-UHFFFAOYSA-N 1 0 220.223 -0.332 20 30 BBEDRO C=CCNC(=O)CNC(=[NH2+])NCC1CC1 ZINC000887356476 592488550 /nfs/dbraw/zinc/48/85/50/592488550.db2.gz DPFXRTVTCZCACS-UHFFFAOYSA-N 1 0 210.281 -0.187 20 30 BBEDRO C[NH+](C)CC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887675500 592539734 /nfs/dbraw/zinc/53/97/34/592539734.db2.gz YPOFCDDLKDLFRJ-JTQLQIEISA-N 1 0 211.265 -0.311 20 30 BBEDRO C[NH+](C)CC(=O)N1CCO[C@](C)(C#N)C1 ZINC000887675501 592539849 /nfs/dbraw/zinc/53/98/49/592539849.db2.gz YPOFCDDLKDLFRJ-SNVBAGLBSA-N 1 0 211.265 -0.311 20 30 BBEDRO C=C[C@@H](O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887925118 592559959 /nfs/dbraw/zinc/55/99/59/592559959.db2.gz DXAIIRIOWUSZIV-FOGDFJRCSA-N 1 0 224.304 -0.057 20 30 BBEDRO C=C[C@H](O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887925119 592559473 /nfs/dbraw/zinc/55/94/73/592559473.db2.gz DXAIIRIOWUSZIV-SCVCMEIPSA-N 1 0 224.304 -0.057 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H]1C(=O)OC ZINC000888067003 592572434 /nfs/dbraw/zinc/57/24/34/592572434.db2.gz VMPIKLFXDQDKJA-SECBINFHSA-N 1 0 226.276 -0.122 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H]1C(=O)OC ZINC000888067004 592572613 /nfs/dbraw/zinc/57/26/13/592572613.db2.gz VMPIKLFXDQDKJA-VIFPVBQESA-N 1 0 226.276 -0.122 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@](C)(CC)C(N)=O ZINC000888548384 589714588 /nfs/dbraw/zinc/71/45/88/589714588.db2.gz QQOUMHKAYOVUDG-LLVKDONJSA-N 1 0 227.308 -0.126 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@](C)(CC)C(N)=O ZINC000888548385 589714646 /nfs/dbraw/zinc/71/46/46/589714646.db2.gz QQOUMHKAYOVUDG-NSHDSACASA-N 1 0 227.308 -0.126 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888983806 582850452 /nfs/dbraw/zinc/85/04/52/582850452.db2.gz QHWYSXOZFZXRFP-LLVKDONJSA-N 1 0 241.335 -0.761 20 30 BBEDRO C=C[C@H](O)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888983807 582850533 /nfs/dbraw/zinc/85/05/33/582850533.db2.gz QHWYSXOZFZXRFP-NSHDSACASA-N 1 0 241.335 -0.761 20 30 BBEDRO CON=CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888985096 582853462 /nfs/dbraw/zinc/85/34/62/582853462.db2.gz LABRJEUFZUNMLQ-UHFFFAOYSA-N 1 0 242.323 -0.676 20 30 BBEDRO CC#CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888985133 582853530 /nfs/dbraw/zinc/85/35/30/582853530.db2.gz MJGRHMAEZXWDNO-UHFFFAOYSA-N 1 0 223.320 -0.285 20 30 BBEDRO CN1CCN(C(=O)CC#N)CC[N@H+](C)CC1 ZINC000888986461 582855832 /nfs/dbraw/zinc/85/58/32/582855832.db2.gz HKYWKJVHGUZSJT-UHFFFAOYSA-N 1 0 224.308 -0.394 20 30 BBEDRO C[C@H](C#N)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888990890 582863653 /nfs/dbraw/zinc/86/36/53/582863653.db2.gz HTYZWCUYEHBLBV-LLVKDONJSA-N 1 0 238.335 -0.148 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888990891 582863643 /nfs/dbraw/zinc/86/36/43/582863643.db2.gz HTYZWCUYEHBLBV-NSHDSACASA-N 1 0 238.335 -0.148 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@]1(C)CCNC1=O ZINC000889025156 636713123 /nfs/dbraw/zinc/71/31/23/636713123.db2.gz PZBIGOXRWUIBCC-GFCCVEGCSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@]1(C)CCNC1=O ZINC000889025157 636713755 /nfs/dbraw/zinc/71/37/55/636713755.db2.gz PZBIGOXRWUIBCC-LBPRGKRZSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@]1(C)CCNC1=O ZINC000889031870 636404749 /nfs/dbraw/zinc/40/47/49/636404749.db2.gz RBZRTHNNGJTCJR-LLVKDONJSA-N 1 0 225.292 -0.501 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@]1(C)CCNC1=O ZINC000889031871 636404532 /nfs/dbraw/zinc/40/45/32/636404532.db2.gz RBZRTHNNGJTCJR-NSHDSACASA-N 1 0 225.292 -0.501 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CO)CC1 ZINC000889135790 592584460 /nfs/dbraw/zinc/58/44/60/592584460.db2.gz APGAMPJUYIDKGD-GFCCVEGCSA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CO)CC1 ZINC000889135791 592584247 /nfs/dbraw/zinc/58/42/47/592584247.db2.gz APGAMPJUYIDKGD-LBPRGKRZSA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)Nc2nnn(C)n2)CC1 ZINC000889631334 592635826 /nfs/dbraw/zinc/63/58/26/592635826.db2.gz OSBLQTJKFWFCRJ-UHFFFAOYSA-N 1 0 248.290 -0.506 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCc1nnc(C)[nH]1 ZINC000889702672 592648505 /nfs/dbraw/zinc/64/85/05/592648505.db2.gz GQSSSXIMLNRYCT-UHFFFAOYSA-N 1 0 223.280 -0.153 20 30 BBEDRO N#CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764815 592652414 /nfs/dbraw/zinc/65/24/14/592652414.db2.gz YOIZOLYQKRRPJU-GHMZBOCLSA-N 1 0 237.303 -0.042 20 30 BBEDRO N#CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764817 592652325 /nfs/dbraw/zinc/65/23/25/592652325.db2.gz YOIZOLYQKRRPJU-MNOVXSKESA-N 1 0 237.303 -0.042 20 30 BBEDRO N#CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764820 592652960 /nfs/dbraw/zinc/65/29/60/592652960.db2.gz YOIZOLYQKRRPJU-QWRGUYRKSA-N 1 0 237.303 -0.042 20 30 BBEDRO N#CCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764823 592652483 /nfs/dbraw/zinc/65/24/83/592652483.db2.gz YOIZOLYQKRRPJU-WDEREUQCSA-N 1 0 237.303 -0.042 20 30 BBEDRO C#CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775408 592653722 /nfs/dbraw/zinc/65/37/22/592653722.db2.gz MSWOGOMHDYILBB-GHMZBOCLSA-N 1 0 222.288 -0.323 20 30 BBEDRO C#CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775409 592653864 /nfs/dbraw/zinc/65/38/64/592653864.db2.gz MSWOGOMHDYILBB-MNOVXSKESA-N 1 0 222.288 -0.323 20 30 BBEDRO C#CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775410 592653819 /nfs/dbraw/zinc/65/38/19/592653819.db2.gz MSWOGOMHDYILBB-QWRGUYRKSA-N 1 0 222.288 -0.323 20 30 BBEDRO C#CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775411 592653287 /nfs/dbraw/zinc/65/32/87/592653287.db2.gz MSWOGOMHDYILBB-WDEREUQCSA-N 1 0 222.288 -0.323 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1CCO ZINC000889880730 592659248 /nfs/dbraw/zinc/65/92/48/592659248.db2.gz NDYBLYKBQQSKEG-LLVKDONJSA-N 1 0 242.319 -0.286 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1CCO ZINC000889880731 592658780 /nfs/dbraw/zinc/65/87/80/592658780.db2.gz NDYBLYKBQQSKEG-NSHDSACASA-N 1 0 242.319 -0.286 20 30 BBEDRO C#CC1(O)CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000890521735 582464034 /nfs/dbraw/zinc/46/40/34/582464034.db2.gz RAMPJDZSYNQORP-UHFFFAOYSA-N 1 0 210.277 -0.467 20 30 BBEDRO C#CC1(O)CN(C(=O)C[NH+](CC)CC)C1 ZINC000890521837 582463699 /nfs/dbraw/zinc/46/36/99/582463699.db2.gz WAZVANPGVKGOBM-UHFFFAOYSA-N 1 0 210.277 -0.465 20 30 BBEDRO C#CC1(O)CN(C(=O)CCCC[NH+](C)C)C1 ZINC000890522138 582464271 /nfs/dbraw/zinc/46/42/71/582464271.db2.gz DAAIPNXOJJNTBW-UHFFFAOYSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC000890522281 643108037 /nfs/dbraw/zinc/10/80/37/643108037.db2.gz KAOILIXGTLJQBO-UHFFFAOYSA-N 1 0 208.261 -0.711 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)N1CC(O)(C#C)C1 ZINC000890522712 582463547 /nfs/dbraw/zinc/46/35/47/582463547.db2.gz KNIIRXUXNFZASB-NSHDSACASA-N 1 0 232.283 -0.710 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000890522854 582463468 /nfs/dbraw/zinc/46/34/68/582463468.db2.gz MJKFBNZPVQZWKN-SECBINFHSA-N 1 0 208.261 -0.855 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000890522859 582463395 /nfs/dbraw/zinc/46/33/95/582463395.db2.gz MJKFBNZPVQZWKN-VIFPVBQESA-N 1 0 208.261 -0.855 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000890522939 582463582 /nfs/dbraw/zinc/46/35/82/582463582.db2.gz ISQOGOCNXLZLRP-SECBINFHSA-N 1 0 210.277 -0.467 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000890522940 582463552 /nfs/dbraw/zinc/46/35/52/582463552.db2.gz ISQOGOCNXLZLRP-VIFPVBQESA-N 1 0 210.277 -0.467 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000890523026 582463525 /nfs/dbraw/zinc/46/35/25/582463525.db2.gz PIXIMVZFJVPEKE-JTQLQIEISA-N 1 0 222.288 -0.323 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000890523031 582463313 /nfs/dbraw/zinc/46/33/13/582463313.db2.gz PIXIMVZFJVPEKE-SNVBAGLBSA-N 1 0 222.288 -0.323 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000890523084 582463747 /nfs/dbraw/zinc/46/37/47/582463747.db2.gz PYHDZUNXYCAPQZ-JTQLQIEISA-N 1 0 224.304 -0.221 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000890523095 582463750 /nfs/dbraw/zinc/46/37/50/582463750.db2.gz PYHDZUNXYCAPQZ-SNVBAGLBSA-N 1 0 224.304 -0.221 20 30 BBEDRO C#CC1(O)CN(C(=O)C[N@@H+](CC)C2CC2)C1 ZINC000890523411 582464681 /nfs/dbraw/zinc/46/46/81/582464681.db2.gz YSTSFQGWKFKHEK-UHFFFAOYSA-N 1 0 222.288 -0.323 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000890523601 582464819 /nfs/dbraw/zinc/46/48/19/582464819.db2.gz SUINUTPRIHNVDT-SECBINFHSA-N 1 0 208.261 -0.713 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000890523605 582464755 /nfs/dbraw/zinc/46/47/55/582464755.db2.gz SUINUTPRIHNVDT-VIFPVBQESA-N 1 0 208.261 -0.713 20 30 BBEDRO C#CC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000890523792 582464225 /nfs/dbraw/zinc/46/42/25/582464225.db2.gz ZEZJYRVRVGORHV-UHFFFAOYSA-N 1 0 222.288 -0.465 20 30 BBEDRO C#CC1(O)CN(C(=O)C[N@@H+](C)CCC)C1 ZINC000890523802 582464253 /nfs/dbraw/zinc/46/42/53/582464253.db2.gz ZNUANQIBGQMYLP-UHFFFAOYSA-N 1 0 210.277 -0.465 20 30 BBEDRO C#CC1(O)CN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000890523874 582464268 /nfs/dbraw/zinc/46/42/68/582464268.db2.gz RLCUWTYPAUJICO-UHFFFAOYSA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CC1(O)CN(C(=O)Cc2[nH]cnc2C)C1 ZINC000890525003 582465142 /nfs/dbraw/zinc/46/51/42/582465142.db2.gz KEQPSZFAUOHFMM-UHFFFAOYSA-N 1 0 219.244 -0.533 20 30 BBEDRO C#CC1(O)CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000890525124 582465161 /nfs/dbraw/zinc/46/51/61/582465161.db2.gz ZJURJEFDAOCOBP-UHFFFAOYSA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000890525384 711452437 /nfs/dbraw/zinc/45/24/37/711452437.db2.gz UISXLOWRMJPOJY-LLVKDONJSA-N 1 0 234.299 -0.180 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000890525385 711452299 /nfs/dbraw/zinc/45/22/99/711452299.db2.gz UISXLOWRMJPOJY-NSHDSACASA-N 1 0 234.299 -0.180 20 30 BBEDRO C#CC1(O)CN(C(=O)Cn2ccnc2C)C1 ZINC000890525764 582465886 /nfs/dbraw/zinc/46/58/86/582465886.db2.gz ISQCLLXTEQQPFA-UHFFFAOYSA-N 1 0 219.244 -0.602 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000890525823 582466004 /nfs/dbraw/zinc/46/60/04/582466004.db2.gz LESVREIRTICCRN-SECBINFHSA-N 1 0 245.282 -0.279 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C1 ZINC000890525824 582466077 /nfs/dbraw/zinc/46/60/77/582466077.db2.gz LESVREIRTICCRN-VIFPVBQESA-N 1 0 245.282 -0.279 20 30 BBEDRO C#CC1(O)CN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000890525859 582466134 /nfs/dbraw/zinc/46/61/34/582466134.db2.gz AHHWAEPIMWRCDB-UHFFFAOYSA-N 1 0 208.261 -0.713 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000890525923 582466170 /nfs/dbraw/zinc/46/61/70/582466170.db2.gz CDVXCHFPKJERGE-NXEZZACHSA-N 1 0 222.288 -0.467 20 30 BBEDRO C#CC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000890526216 582465721 /nfs/dbraw/zinc/46/57/21/582465721.db2.gz JKRPWDKETPHZJO-UHFFFAOYSA-N 1 0 222.288 -0.323 20 30 BBEDRO C#CC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000890526700 582466492 /nfs/dbraw/zinc/46/64/92/582466492.db2.gz UJZYBORGZJHYPZ-UHFFFAOYSA-N 1 0 222.288 -0.465 20 30 BBEDRO C#CC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000890526734 582466517 /nfs/dbraw/zinc/46/65/17/582466517.db2.gz WCUBRCXLTUPXFV-JTQLQIEISA-N 1 0 222.288 -0.465 20 30 BBEDRO C#CC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000890526735 582466709 /nfs/dbraw/zinc/46/67/09/582466709.db2.gz WCUBRCXLTUPXFV-SNVBAGLBSA-N 1 0 222.288 -0.465 20 30 BBEDRO C#CC1(O)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000890526777 643110480 /nfs/dbraw/zinc/11/04/80/643110480.db2.gz XIMWOEVOPBBEDM-WDEREUQCSA-N 1 0 236.315 -0.077 20 30 BBEDRO C#CC1(O)CN(C(=O)C(=C)CC[NH+](C)C)C1 ZINC000890527329 582467411 /nfs/dbraw/zinc/46/74/11/582467411.db2.gz QAPMDAONSCKWDF-UHFFFAOYSA-N 1 0 222.288 -0.299 20 30 BBEDRO C#CC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000890527509 582467216 /nfs/dbraw/zinc/46/72/16/582467216.db2.gz UAAWGICOQFAVKP-UHFFFAOYSA-N 1 0 220.272 -0.711 20 30 BBEDRO C#CC1(O)CN(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000890528237 582467833 /nfs/dbraw/zinc/46/78/33/582467833.db2.gz CPPUWXXYCCNFKA-UHFFFAOYSA-N 1 0 224.304 -0.029 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)COC ZINC000890863559 582581686 /nfs/dbraw/zinc/58/16/86/582581686.db2.gz KXLNPAHDOWMMTC-VIFPVBQESA-N 1 0 216.281 -0.772 20 30 BBEDRO C#CC1(O)CN(C(=O)NCC[NH+](CC)CC)C1 ZINC000891414742 642494170 /nfs/dbraw/zinc/49/41/70/642494170.db2.gz CSVXDWIOYZZUNA-UHFFFAOYSA-N 1 0 239.319 -0.282 20 30 BBEDRO C#CC1(O)CN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000891524628 582695220 /nfs/dbraw/zinc/69/52/20/582695220.db2.gz OBKIIPAJYKGNSG-UHFFFAOYSA-N 1 0 237.303 -0.530 20 30 BBEDRO C#CCNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000891569152 631394002 /nfs/dbraw/zinc/39/40/02/631394002.db2.gz PXUNGGWBGPKDGJ-UHFFFAOYSA-N 1 0 238.335 -0.492 20 30 BBEDRO C#CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000891569277 631393790 /nfs/dbraw/zinc/39/37/90/631393790.db2.gz QZLNOYXSSLCULP-NXEZZACHSA-N 1 0 207.277 -0.035 20 30 BBEDRO C#CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000891569278 631394153 /nfs/dbraw/zinc/39/41/53/631394153.db2.gz QZLNOYXSSLCULP-UWVGGRQHSA-N 1 0 207.277 -0.035 20 30 BBEDRO C#CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000891569279 631393283 /nfs/dbraw/zinc/39/32/83/631393283.db2.gz QZLNOYXSSLCULP-VHSXEESVSA-N 1 0 207.277 -0.035 20 30 BBEDRO C#CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000891569280 631393706 /nfs/dbraw/zinc/39/37/06/631393706.db2.gz QZLNOYXSSLCULP-ZJUUUORDSA-N 1 0 207.277 -0.035 20 30 BBEDRO C=CCOCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891764074 582717718 /nfs/dbraw/zinc/71/77/18/582717718.db2.gz GJDIRYLQVKNLGY-UWVGGRQHSA-N 1 0 225.292 -0.055 20 30 BBEDRO C#CCOCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891773863 582718682 /nfs/dbraw/zinc/71/86/82/582718682.db2.gz CKHHVPRZQWLIGY-AOOOYVTPSA-N 1 0 225.292 -0.327 20 30 BBEDRO C#CCOCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891773864 582718832 /nfs/dbraw/zinc/71/88/32/582718832.db2.gz CKHHVPRZQWLIGY-MGCOHNPYSA-N 1 0 225.292 -0.327 20 30 BBEDRO C#CCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891774081 582718549 /nfs/dbraw/zinc/71/85/49/582718549.db2.gz FAYDDLCKATUJKV-PHIMTYICSA-N 1 0 237.303 -0.218 20 30 BBEDRO C#CCOCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891775737 711545790 /nfs/dbraw/zinc/54/57/90/711545790.db2.gz NMTCQDDLVVEXMC-UWVGGRQHSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#CCOCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891775739 711546024 /nfs/dbraw/zinc/54/60/24/711546024.db2.gz NMTCQDDLVVEXMC-VHSXEESVSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#CCOCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891775741 711545941 /nfs/dbraw/zinc/54/59/41/711545941.db2.gz NMTCQDDLVVEXMC-ZJUUUORDSA-N 1 0 225.292 -0.233 20 30 BBEDRO C#CCOCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891777535 582719737 /nfs/dbraw/zinc/71/97/37/582719737.db2.gz VWZZAUPWOROZFU-UWVGGRQHSA-N 1 0 223.276 -0.608 20 30 BBEDRO C#C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CCCO1 ZINC000891814675 582725885 /nfs/dbraw/zinc/72/58/85/582725885.db2.gz TVDAUJLFPLMOKJ-BJDJZHNGSA-N 1 0 249.314 -0.077 20 30 BBEDRO C#C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CCCO1 ZINC000891814676 582725769 /nfs/dbraw/zinc/72/57/69/582725769.db2.gz TVDAUJLFPLMOKJ-FIQHERPVSA-N 1 0 249.314 -0.077 20 30 BBEDRO C#C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CCCO1 ZINC000891814678 582725980 /nfs/dbraw/zinc/72/59/80/582725980.db2.gz TVDAUJLFPLMOKJ-NNYUYHANSA-N 1 0 249.314 -0.077 20 30 BBEDRO C#C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CCCO1 ZINC000891814680 582725752 /nfs/dbraw/zinc/72/57/52/582725752.db2.gz TVDAUJLFPLMOKJ-YFKTTZPYSA-N 1 0 249.314 -0.077 20 30 BBEDRO N#CCCN1CCN(C(=O)NCC[NH3+])CC1 ZINC000891977508 582750748 /nfs/dbraw/zinc/75/07/48/582750748.db2.gz ZAWSSROPMLHRHG-UHFFFAOYSA-N 1 0 225.296 -0.814 20 30 BBEDRO N#C[C@H]1CN(C(=O)NCC[NH3+])CCN1C1CC1 ZINC000891977572 582750669 /nfs/dbraw/zinc/75/06/69/582750669.db2.gz ZYRZOVZZUXMPDX-JTQLQIEISA-N 1 0 237.307 -0.673 20 30 BBEDRO N#C[C@@H]1CN(C(=O)NCC[NH3+])CCN1C1CC1 ZINC000891977583 582750879 /nfs/dbraw/zinc/75/08/79/582750879.db2.gz ZYRZOVZZUXMPDX-SNVBAGLBSA-N 1 0 237.307 -0.673 20 30 BBEDRO N#CCCN1CCN(C(=O)NCCC[NH3+])CC1 ZINC000891985639 582753998 /nfs/dbraw/zinc/75/39/98/582753998.db2.gz IIRRFBHHWZIAFR-UHFFFAOYSA-N 1 0 239.323 -0.424 20 30 BBEDRO C[NH2+]CCNC(=O)N1CCN(CCC#N)CC1 ZINC000891992825 582755596 /nfs/dbraw/zinc/75/55/96/582755596.db2.gz NPMBNABBRLNJTR-UHFFFAOYSA-N 1 0 239.323 -0.553 20 30 BBEDRO C[C@H](C[NH3+])NC(=O)N1CCN(CCC#N)CC1 ZINC000892061395 582780191 /nfs/dbraw/zinc/78/01/91/582780191.db2.gz HHUJBMJPLYQNKL-SNVBAGLBSA-N 1 0 239.323 -0.426 20 30 BBEDRO C[C@H]([NH3+])CNC(=O)N1CCN(CCC#N)CC1 ZINC000892104450 711575318 /nfs/dbraw/zinc/57/53/18/711575318.db2.gz XSQAUGLNGOCEPZ-JTQLQIEISA-N 1 0 239.323 -0.426 20 30 BBEDRO C[C@@H]([NH3+])CNC(=O)N1CCN(CCC#N)CC1 ZINC000892104451 711575361 /nfs/dbraw/zinc/57/53/61/711575361.db2.gz XSQAUGLNGOCEPZ-SNVBAGLBSA-N 1 0 239.323 -0.426 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000892237885 582811295 /nfs/dbraw/zinc/81/12/95/582811295.db2.gz SRJQAVJKNUPLPD-JTQLQIEISA-N 1 0 237.303 -0.530 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000892237886 582811731 /nfs/dbraw/zinc/81/17/31/582811731.db2.gz SRJQAVJKNUPLPD-SNVBAGLBSA-N 1 0 237.303 -0.530 20 30 BBEDRO C#CC1(O)CN(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000892330769 582854030 /nfs/dbraw/zinc/85/40/30/582854030.db2.gz MVWJEKNWNDGGQV-JTQLQIEISA-N 1 0 237.303 -0.530 20 30 BBEDRO C#CC1(O)CN(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000892330770 582854301 /nfs/dbraw/zinc/85/43/01/582854301.db2.gz MVWJEKNWNDGGQV-SNVBAGLBSA-N 1 0 237.303 -0.530 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000892431230 582885535 /nfs/dbraw/zinc/88/55/35/582885535.db2.gz CCBIDVKUHKANBS-JTQLQIEISA-N 1 0 239.319 -0.284 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000892431231 582885768 /nfs/dbraw/zinc/88/57/68/582885768.db2.gz CCBIDVKUHKANBS-SNVBAGLBSA-N 1 0 239.319 -0.284 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892549524 632960795 /nfs/dbraw/zinc/96/07/95/632960795.db2.gz VMTBQPQNOCKIPO-AXFHLTTASA-N 1 0 237.303 -0.233 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892549525 632959617 /nfs/dbraw/zinc/95/96/17/632959617.db2.gz VMTBQPQNOCKIPO-OUAUKWLOSA-N 1 0 237.303 -0.233 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892553636 582912052 /nfs/dbraw/zinc/91/20/52/582912052.db2.gz QQZDYLFCMYKTKP-AEJSXWLSSA-N 1 0 227.308 -0.040 20 30 BBEDRO C=CC[C@H](CO)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892553637 582912116 /nfs/dbraw/zinc/91/21/16/582912116.db2.gz QQZDYLFCMYKTKP-KXUCPTDWSA-N 1 0 227.308 -0.040 20 30 BBEDRO C=CCNC(=O)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892556599 582912533 /nfs/dbraw/zinc/91/25/33/582912533.db2.gz DAYFMWIQTYRFBE-DTORHVGOSA-N 1 0 240.307 -0.675 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892568520 582915838 /nfs/dbraw/zinc/91/58/38/582915838.db2.gz VMTBQPQNOCKIPO-DCAQKATOSA-N 1 0 237.303 -0.233 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892568521 582915366 /nfs/dbraw/zinc/91/53/66/582915366.db2.gz VMTBQPQNOCKIPO-GMTAPVOTSA-N 1 0 237.303 -0.233 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892570585 582915963 /nfs/dbraw/zinc/91/59/63/582915963.db2.gz QQZDYLFCMYKTKP-GUBZILKMSA-N 1 0 227.308 -0.040 20 30 BBEDRO C=CC[C@H](CO)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892570586 582916507 /nfs/dbraw/zinc/91/65/07/582916507.db2.gz QQZDYLFCMYKTKP-OPRDCNLKSA-N 1 0 227.308 -0.040 20 30 BBEDRO C=CCNC(=O)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892571355 582917241 /nfs/dbraw/zinc/91/72/41/582917241.db2.gz DAYFMWIQTYRFBE-KYZUINATSA-N 1 0 240.307 -0.675 20 30 BBEDRO C=CCNC(=O)CNC(=O)NCCC(C)(C)[NH3+] ZINC000892853012 582997120 /nfs/dbraw/zinc/99/71/20/582997120.db2.gz HYXTZSROVYHXLS-UHFFFAOYSA-N 1 0 242.323 -0.285 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000893020227 583031287 /nfs/dbraw/zinc/03/12/87/583031287.db2.gz OCGMISBYSJDXEY-JTQLQIEISA-N 1 0 249.314 -0.387 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000893020228 583031262 /nfs/dbraw/zinc/03/12/62/583031262.db2.gz OCGMISBYSJDXEY-SNVBAGLBSA-N 1 0 249.314 -0.387 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C)COC(C)=O ZINC000893318660 634176152 /nfs/dbraw/zinc/17/61/52/634176152.db2.gz NUFPLWMMLUNXIC-MRVPVSSYSA-N 1 0 214.265 -0.170 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](C)COC(C)=O ZINC000893318661 634175654 /nfs/dbraw/zinc/17/56/54/634175654.db2.gz NUFPLWMMLUNXIC-QMMMGPOBSA-N 1 0 214.265 -0.170 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H](C)COCCOC ZINC000893320342 583100337 /nfs/dbraw/zinc/10/03/37/583100337.db2.gz YFRKAYMVZMDMLC-JTQLQIEISA-N 1 0 230.308 -0.070 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H](C)COCCOC ZINC000893320344 583100466 /nfs/dbraw/zinc/10/04/66/583100466.db2.gz YFRKAYMVZMDMLC-SNVBAGLBSA-N 1 0 230.308 -0.070 20 30 BBEDRO N#Cc1ncn(CCNc2cc[nH+]cc2CO)n1 ZINC000893836384 583228792 /nfs/dbraw/zinc/22/87/92/583228792.db2.gz NOQCWRRYRWOOTD-UHFFFAOYSA-N 1 0 244.258 -0.429 20 30 BBEDRO CC(=O)OC[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000894420559 583455245 /nfs/dbraw/zinc/45/52/45/583455245.db2.gz SFPDFLATUSJLLU-MRVPVSSYSA-N 1 0 237.263 -0.309 20 30 BBEDRO CC(=O)OC[C@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000894420560 583455139 /nfs/dbraw/zinc/45/51/39/583455139.db2.gz SFPDFLATUSJLLU-QMMMGPOBSA-N 1 0 237.263 -0.309 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000894846634 583531392 /nfs/dbraw/zinc/53/13/92/583531392.db2.gz SYRDGOPXUDTGRT-VIFPVBQESA-N 1 0 225.292 -0.674 20 30 BBEDRO C[NH+](C)CC#CCNc1nccn2nnnc12 ZINC000894875561 583541504 /nfs/dbraw/zinc/54/15/04/583541504.db2.gz GOKYQKRSQIEQPY-UHFFFAOYSA-N 1 0 231.263 -0.504 20 30 BBEDRO C[NH+](C)CC#CCNc1cc(C(N)=O)ncn1 ZINC000894875700 583541468 /nfs/dbraw/zinc/54/14/68/583541468.db2.gz GNVLNTHVTAJTGB-UHFFFAOYSA-N 1 0 233.275 -0.448 20 30 BBEDRO C[NH+](C)CC#CCNc1nccnc1C(N)=O ZINC000894875951 711774121 /nfs/dbraw/zinc/77/41/21/711774121.db2.gz JKLZYARAFCHRQK-UHFFFAOYSA-N 1 0 233.275 -0.448 20 30 BBEDRO Cn1nnc2c1ncnc2NCC#CC[NH+](C)C ZINC000894876769 583541723 /nfs/dbraw/zinc/54/17/23/583541723.db2.gz RFIDQRRSIYCEJA-UHFFFAOYSA-N 1 0 245.290 -0.265 20 30 BBEDRO C[NH+](C)CC#CCN=c1ncnc2[nH][nH]cc1-2 ZINC000894876891 583541832 /nfs/dbraw/zinc/54/18/32/583541832.db2.gz WWLBLMULNDNQAA-UHFFFAOYSA-N 1 0 230.275 -0.297 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)N1CC(O)(C#C)C1 ZINC000895056429 583575222 /nfs/dbraw/zinc/57/52/22/583575222.db2.gz KRHWTQNKKARKQT-UHFFFAOYSA-N 1 0 249.314 -0.669 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]1CO ZINC000895056699 583575189 /nfs/dbraw/zinc/57/51/89/583575189.db2.gz PMPLGLWFOPXQBW-LLVKDONJSA-N 1 0 239.319 -0.282 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]1CO ZINC000895056700 583575384 /nfs/dbraw/zinc/57/53/84/583575384.db2.gz PMPLGLWFOPXQBW-NSHDSACASA-N 1 0 239.319 -0.282 20 30 BBEDRO C[C@H](Cn1cncn1)[NH2+][C@H]1CCCN(O)C1=O ZINC000895157466 583607778 /nfs/dbraw/zinc/60/77/78/583607778.db2.gz QHRXAIOEZPRAMH-BDAKNGLRSA-N 1 0 239.279 -0.364 20 30 BBEDRO C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157468 583607888 /nfs/dbraw/zinc/60/78/88/583607888.db2.gz QHRXAIOEZPRAMH-DTWKUNHWSA-N 1 0 239.279 -0.364 20 30 BBEDRO C[C@@H](Cn1cncn1)[NH2+][C@H]1CCCN(O)C1=O ZINC000895157469 583607959 /nfs/dbraw/zinc/60/79/59/583607959.db2.gz QHRXAIOEZPRAMH-IUCAKERBSA-N 1 0 239.279 -0.364 20 30 BBEDRO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157470 583607882 /nfs/dbraw/zinc/60/78/82/583607882.db2.gz QHRXAIOEZPRAMH-RKDXNWHRSA-N 1 0 239.279 -0.364 20 30 BBEDRO CO[C@@]1(C[NH2+][C@H]2CCCN(O)C2=O)CCOC1 ZINC000895159067 583608277 /nfs/dbraw/zinc/60/82/77/583608277.db2.gz RLAIHDWBBJMBRK-GXSJLCMTSA-N 1 0 244.291 -0.238 20 30 BBEDRO CO[C@]1(C[NH2+][C@@H]2CCCN(O)C2=O)CCOC1 ZINC000895159068 583608379 /nfs/dbraw/zinc/60/83/79/583608379.db2.gz RLAIHDWBBJMBRK-KOLCDFICSA-N 1 0 244.291 -0.238 20 30 BBEDRO CO[C@@]1(C[NH2+][C@@H]2CCCN(O)C2=O)CCOC1 ZINC000895159069 583608330 /nfs/dbraw/zinc/60/83/30/583608330.db2.gz RLAIHDWBBJMBRK-MWLCHTKSSA-N 1 0 244.291 -0.238 20 30 BBEDRO CO[C@]1(C[NH2+][C@H]2CCCN(O)C2=O)CCOC1 ZINC000895159070 583608458 /nfs/dbraw/zinc/60/84/58/583608458.db2.gz RLAIHDWBBJMBRK-ONGXEEELSA-N 1 0 244.291 -0.238 20 30 BBEDRO O=C1[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)CCCN1O ZINC000895159907 583608983 /nfs/dbraw/zinc/60/89/83/583608983.db2.gz YVULDVFNVXDBLV-BDAKNGLRSA-N 1 0 241.291 -0.375 20 30 BBEDRO O=C1[C@H]([NH2+][C@H]2CCCNC(=O)C2)CCCN1O ZINC000895159914 583609003 /nfs/dbraw/zinc/60/90/03/583609003.db2.gz YVULDVFNVXDBLV-DTWKUNHWSA-N 1 0 241.291 -0.375 20 30 BBEDRO O=C1[C@@H]([NH2+][C@H]2CCCNC(=O)C2)CCCN1O ZINC000895159915 583609156 /nfs/dbraw/zinc/60/91/56/583609156.db2.gz YVULDVFNVXDBLV-IUCAKERBSA-N 1 0 241.291 -0.375 20 30 BBEDRO O=C1[C@H]([NH2+][C@@H]2CCCNC(=O)C2)CCCN1O ZINC000895159916 583608873 /nfs/dbraw/zinc/60/88/73/583608873.db2.gz YVULDVFNVXDBLV-RKDXNWHRSA-N 1 0 241.291 -0.375 20 30 BBEDRO O=C1[C@H]([NH2+][C@@H]2CCOC2)CCCN1O ZINC000895162289 583610782 /nfs/dbraw/zinc/61/07/82/583610782.db2.gz JWPBLWHAHPWKHJ-HTQZYQBOSA-N 1 0 200.238 -0.255 20 30 BBEDRO O=C1[C@H]([NH2+][C@H]2CCOC2)CCCN1O ZINC000895162291 583610879 /nfs/dbraw/zinc/61/08/79/583610879.db2.gz JWPBLWHAHPWKHJ-JGVFFNPUSA-N 1 0 200.238 -0.255 20 30 BBEDRO O=C1[C@@H]([NH2+][C@@H]2CCOC2)CCCN1O ZINC000895162293 583610955 /nfs/dbraw/zinc/61/09/55/583610955.db2.gz JWPBLWHAHPWKHJ-SFYZADRCSA-N 1 0 200.238 -0.255 20 30 BBEDRO O=C1[C@@H]([NH2+][C@H]2CCOC2)CCCN1O ZINC000895162294 583610937 /nfs/dbraw/zinc/61/09/37/583610937.db2.gz JWPBLWHAHPWKHJ-YUMQZZPRSA-N 1 0 200.238 -0.255 20 30 BBEDRO C[C@H](CCO)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895191858 583621987 /nfs/dbraw/zinc/62/19/87/583621987.db2.gz CRLXFWUGCLUONE-HTQZYQBOSA-N 1 0 202.254 -0.273 20 30 BBEDRO C[C@@H](CCO)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895191873 583621994 /nfs/dbraw/zinc/62/19/94/583621994.db2.gz CRLXFWUGCLUONE-JGVFFNPUSA-N 1 0 202.254 -0.273 20 30 BBEDRO C[C@H](CCO)[NH2+][C@H]1CCCN(O)C1=O ZINC000895191875 583621947 /nfs/dbraw/zinc/62/19/47/583621947.db2.gz CRLXFWUGCLUONE-SFYZADRCSA-N 1 0 202.254 -0.273 20 30 BBEDRO C[C@@H](CCO)[NH2+][C@H]1CCCN(O)C1=O ZINC000895191876 583621886 /nfs/dbraw/zinc/62/18/86/583621886.db2.gz CRLXFWUGCLUONE-YUMQZZPRSA-N 1 0 202.254 -0.273 20 30 BBEDRO CC(=O)OC[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895193745 583621697 /nfs/dbraw/zinc/62/16/97/583621697.db2.gz RVQPRDHRXBZBFV-APPZFPTMSA-N 1 0 230.264 -0.092 20 30 BBEDRO CC(=O)OC[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895193746 583621670 /nfs/dbraw/zinc/62/16/70/583621670.db2.gz RVQPRDHRXBZBFV-CBAPKCEASA-N 1 0 230.264 -0.092 20 30 BBEDRO CC(=O)OC[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895193747 583621971 /nfs/dbraw/zinc/62/19/71/583621971.db2.gz RVQPRDHRXBZBFV-IONNQARKSA-N 1 0 230.264 -0.092 20 30 BBEDRO CC(=O)OC[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895193748 583621766 /nfs/dbraw/zinc/62/17/66/583621766.db2.gz RVQPRDHRXBZBFV-VXNVDRBHSA-N 1 0 230.264 -0.092 20 30 BBEDRO C#CC1(O)CN(C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000895207244 583625966 /nfs/dbraw/zinc/62/59/66/583625966.db2.gz COOJHCOUMTWFAY-VIFPVBQESA-N 1 0 225.292 -0.674 20 30 BBEDRO C=CCONC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895248201 583631957 /nfs/dbraw/zinc/63/19/57/583631957.db2.gz KAJQORDYMGSSGT-UHFFFAOYSA-N 1 0 243.307 -0.140 20 30 BBEDRO C#CC1(O)CN(C(=O)NCCc2cn(C)cn2)C1 ZINC000895291537 583636968 /nfs/dbraw/zinc/63/69/68/583636968.db2.gz NHKWWFBAINAQTR-UHFFFAOYSA-N 1 0 248.286 -0.648 20 30 BBEDRO C#CC1(O)CCN(Cc2cnnn2C)CC1 ZINC000895383312 583662829 /nfs/dbraw/zinc/66/28/29/583662829.db2.gz SATZRUKHESMCSX-UHFFFAOYSA-N 1 0 220.276 -0.225 20 30 BBEDRO C#CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895483145 636153358 /nfs/dbraw/zinc/15/33/58/636153358.db2.gz LBSBPHKLUYCEBY-UHFFFAOYSA-N 1 0 222.288 -0.153 20 30 BBEDRO C#CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895484464 636152624 /nfs/dbraw/zinc/15/26/24/636152624.db2.gz ZJNWPDRDBLGLHR-JTQLQIEISA-N 1 0 208.261 -0.544 20 30 BBEDRO C#CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895484465 636153216 /nfs/dbraw/zinc/15/32/16/636153216.db2.gz ZJNWPDRDBLGLHR-SNVBAGLBSA-N 1 0 208.261 -0.544 20 30 BBEDRO C#CC[C@H](CO)[NH2+][C@H](C)Cn1cncn1 ZINC000895490340 636151742 /nfs/dbraw/zinc/15/17/42/636151742.db2.gz NTCXLWMNWQLZDX-NXEZZACHSA-N 1 0 208.265 -0.360 20 30 BBEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)Cn1cncn1 ZINC000895490341 636151450 /nfs/dbraw/zinc/15/14/50/636151450.db2.gz NTCXLWMNWQLZDX-UWVGGRQHSA-N 1 0 208.265 -0.360 20 30 BBEDRO C#CC[C@H](CO)[NH2+][C@@H](C)Cn1cncn1 ZINC000895490342 636151154 /nfs/dbraw/zinc/15/11/54/636151154.db2.gz NTCXLWMNWQLZDX-VHSXEESVSA-N 1 0 208.265 -0.360 20 30 BBEDRO C#CC[C@@H](CO)[NH2+][C@H](C)Cn1cncn1 ZINC000895490346 636151283 /nfs/dbraw/zinc/15/12/83/636151283.db2.gz NTCXLWMNWQLZDX-ZJUUUORDSA-N 1 0 208.265 -0.360 20 30 BBEDRO C#C[C@H](C)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895679908 583706293 /nfs/dbraw/zinc/70/62/93/583706293.db2.gz SEQFQMIBAFZPMM-JTQLQIEISA-N 1 0 239.319 -0.236 20 30 BBEDRO C#C[C@@H](C)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895679909 583706109 /nfs/dbraw/zinc/70/61/09/583706109.db2.gz SEQFQMIBAFZPMM-SNVBAGLBSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[NH+]1CCC(N=c2nc[nH]n2C)CC1 ZINC000895811473 583733080 /nfs/dbraw/zinc/73/30/80/583733080.db2.gz HWHNBJVLJPGXBW-UHFFFAOYSA-N 1 0 219.292 -0.254 20 30 BBEDRO CN(C(=O)NCC#CCO)[C@@H]1CCC[N@H+](C)C1 ZINC000896145372 583774612 /nfs/dbraw/zinc/77/46/12/583774612.db2.gz CFQGOLGPRGQPRG-LLVKDONJSA-N 1 0 239.319 -0.282 20 30 BBEDRO CN(C(=O)NCC#CCO)[C@H]1CCC[N@H+](C)C1 ZINC000896145373 583774655 /nfs/dbraw/zinc/77/46/55/583774655.db2.gz CFQGOLGPRGQPRG-NSHDSACASA-N 1 0 239.319 -0.282 20 30 BBEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCC#CCO)[C@@H]2C1 ZINC000896145706 583775140 /nfs/dbraw/zinc/77/51/40/583775140.db2.gz GYQGQANVLDMRRL-GHMZBOCLSA-N 1 0 237.303 -0.672 20 30 BBEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCC#CCO)[C@H]2C1 ZINC000896145707 583774780 /nfs/dbraw/zinc/77/47/80/583774780.db2.gz GYQGQANVLDMRRL-MNOVXSKESA-N 1 0 237.303 -0.672 20 30 BBEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC#CCO)C1 ZINC000896145708 583775116 /nfs/dbraw/zinc/77/51/16/583775116.db2.gz GYQGQANVLDMRRL-QWRGUYRKSA-N 1 0 237.303 -0.672 20 30 BBEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCC#CCO)[C@@H]2C1 ZINC000896145709 583775060 /nfs/dbraw/zinc/77/50/60/583775060.db2.gz GYQGQANVLDMRRL-WDEREUQCSA-N 1 0 237.303 -0.672 20 30 BBEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC#CCO ZINC000896145782 583774660 /nfs/dbraw/zinc/77/46/60/583774660.db2.gz JGUCHPPXJXOHKS-LLVKDONJSA-N 1 0 239.319 -0.234 20 30 BBEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCC#CCO ZINC000896145783 583774347 /nfs/dbraw/zinc/77/43/47/583774347.db2.gz JGUCHPPXJXOHKS-NSHDSACASA-N 1 0 239.319 -0.234 20 30 BBEDRO C[N@H+]1C[C@H]2CN(C(=O)NCC#CCO)C[C@H]2C1 ZINC000896145880 583774766 /nfs/dbraw/zinc/77/47/66/583774766.db2.gz LRPWPALKFSCFIK-PHIMTYICSA-N 1 0 237.303 -0.815 20 30 BBEDRO C[C@@H]1CC[N@H+](CCNC(=O)NCC#CCO)C1 ZINC000896146940 583776278 /nfs/dbraw/zinc/77/62/78/583776278.db2.gz YKGSLOCVEASOII-LLVKDONJSA-N 1 0 239.319 -0.377 20 30 BBEDRO C[C@H]1CC[N@H+](CCNC(=O)NCC#CCO)C1 ZINC000896146941 583775998 /nfs/dbraw/zinc/77/59/98/583775998.db2.gz YKGSLOCVEASOII-NSHDSACASA-N 1 0 239.319 -0.377 20 30 BBEDRO C[NH+](C)CCCN(CCC#N)C(=O)CO ZINC000896240404 583786005 /nfs/dbraw/zinc/78/60/05/583786005.db2.gz WUYNOYMSJXTMLB-UHFFFAOYSA-N 1 0 213.281 -0.327 20 30 BBEDRO C#CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896347189 583795295 /nfs/dbraw/zinc/79/52/95/583795295.db2.gz OGUFMWFZDUGKDR-LLVKDONJSA-N 1 0 222.288 -0.153 20 30 BBEDRO C#CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896347190 583795089 /nfs/dbraw/zinc/79/50/89/583795089.db2.gz OGUFMWFZDUGKDR-NSHDSACASA-N 1 0 222.288 -0.153 20 30 BBEDRO C#CC1(O)CN(C(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC000896459505 583802934 /nfs/dbraw/zinc/80/29/34/583802934.db2.gz NDCKIRCRJCJXST-JTQLQIEISA-N 1 0 237.303 -0.530 20 30 BBEDRO C#CC1(O)CN(C(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC000896459509 583803478 /nfs/dbraw/zinc/80/34/78/583803478.db2.gz NDCKIRCRJCJXST-SNVBAGLBSA-N 1 0 237.303 -0.530 20 30 BBEDRO CON=CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896540910 636201236 /nfs/dbraw/zinc/20/12/36/636201236.db2.gz GZVFDVRWVFGGPC-NXEZZACHSA-N 1 0 242.323 -0.631 20 30 BBEDRO CON=CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896540917 636201476 /nfs/dbraw/zinc/20/14/76/636201476.db2.gz GZVFDVRWVFGGPC-UWVGGRQHSA-N 1 0 242.323 -0.631 20 30 BBEDRO CON=CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896540921 636200791 /nfs/dbraw/zinc/20/07/91/636200791.db2.gz GZVFDVRWVFGGPC-VHSXEESVSA-N 1 0 242.323 -0.631 20 30 BBEDRO CON=CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896540924 636200350 /nfs/dbraw/zinc/20/03/50/636200350.db2.gz GZVFDVRWVFGGPC-ZJUUUORDSA-N 1 0 242.323 -0.631 20 30 BBEDRO C#CC1(O)CN(C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000896619623 583817746 /nfs/dbraw/zinc/81/77/46/583817746.db2.gz MUGBNDRQUYXDDC-SECBINFHSA-N 1 0 223.276 -0.920 20 30 BBEDRO C#CC1(O)CN(C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000896619624 583817996 /nfs/dbraw/zinc/81/79/96/583817996.db2.gz MUGBNDRQUYXDDC-VIFPVBQESA-N 1 0 223.276 -0.920 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000896619762 583817773 /nfs/dbraw/zinc/81/77/73/583817773.db2.gz VXMROMUPBIRVKM-NXEZZACHSA-N 1 0 237.303 -0.532 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000896619763 583818056 /nfs/dbraw/zinc/81/80/56/583818056.db2.gz VXMROMUPBIRVKM-UWVGGRQHSA-N 1 0 237.303 -0.532 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000896619764 583817766 /nfs/dbraw/zinc/81/77/66/583817766.db2.gz VXMROMUPBIRVKM-VHSXEESVSA-N 1 0 237.303 -0.532 20 30 BBEDRO C#CC1(O)CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000896619765 583817738 /nfs/dbraw/zinc/81/77/38/583817738.db2.gz VXMROMUPBIRVKM-ZJUUUORDSA-N 1 0 237.303 -0.532 20 30 BBEDRO N#CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896996207 583867471 /nfs/dbraw/zinc/86/74/71/583867471.db2.gz NKAVYJCXGGTALA-UHFFFAOYSA-N 1 0 223.276 -0.263 20 30 BBEDRO N#CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896996634 583867344 /nfs/dbraw/zinc/86/73/44/583867344.db2.gz PPHACKUKANGRLI-SECBINFHSA-N 1 0 209.249 -0.653 20 30 BBEDRO N#CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896996635 583867546 /nfs/dbraw/zinc/86/75/46/583867546.db2.gz PPHACKUKANGRLI-VIFPVBQESA-N 1 0 209.249 -0.653 20 30 BBEDRO CC#CC[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000897167045 583887047 /nfs/dbraw/zinc/88/70/47/583887047.db2.gz WCEPMDWQGUYWKI-UHFFFAOYSA-N 1 0 235.287 -0.461 20 30 BBEDRO C#CCN(Cc1cn(CC(N)=O)nn1)C(C)C ZINC000897171096 583888805 /nfs/dbraw/zinc/88/88/05/583888805.db2.gz QBVFDTOZPZDJKQ-UHFFFAOYSA-N 1 0 235.291 -0.393 20 30 BBEDRO C#CCN(CC#C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897175518 583888053 /nfs/dbraw/zinc/88/80/53/583888053.db2.gz VHIFUKMWMJAQMF-CYBMUJFWSA-N 1 0 246.310 -0.198 20 30 BBEDRO C#CCN(CC#C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897175519 583887997 /nfs/dbraw/zinc/88/79/97/583887997.db2.gz VHIFUKMWMJAQMF-ZDUSSCGKSA-N 1 0 246.310 -0.198 20 30 BBEDRO CC#CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897253304 583903296 /nfs/dbraw/zinc/90/32/96/583903296.db2.gz CSUCGYRYXBEAEG-LLVKDONJSA-N 1 0 222.288 -0.153 20 30 BBEDRO CC#CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897253405 583903370 /nfs/dbraw/zinc/90/33/70/583903370.db2.gz CSUCGYRYXBEAEG-NSHDSACASA-N 1 0 222.288 -0.153 20 30 BBEDRO C#CCSCC(=O)NCC[N@H+](CC)CCO ZINC000897416013 583961516 /nfs/dbraw/zinc/96/15/16/583961516.db2.gz NYAOOFZJXCVPON-UHFFFAOYSA-N 1 0 244.360 -0.217 20 30 BBEDRO C#C[C@H](C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897434040 583973763 /nfs/dbraw/zinc/97/37/63/583973763.db2.gz KHGGNIBIHZDKNI-GXSJLCMTSA-N 1 0 222.288 -0.155 20 30 BBEDRO C#C[C@@H](C)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897434041 583973596 /nfs/dbraw/zinc/97/35/96/583973596.db2.gz KHGGNIBIHZDKNI-KOLCDFICSA-N 1 0 222.288 -0.155 20 30 BBEDRO C#C[C@@H](C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897434042 583973783 /nfs/dbraw/zinc/97/37/83/583973783.db2.gz KHGGNIBIHZDKNI-MWLCHTKSSA-N 1 0 222.288 -0.155 20 30 BBEDRO C#C[C@H](C)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897434043 583973722 /nfs/dbraw/zinc/97/37/22/583973722.db2.gz KHGGNIBIHZDKNI-ONGXEEELSA-N 1 0 222.288 -0.155 20 30 BBEDRO C#CCN(C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897535244 584009892 /nfs/dbraw/zinc/00/98/92/584009892.db2.gz DRAUDNKSLOFXNZ-LLVKDONJSA-N 1 0 222.288 -0.201 20 30 BBEDRO C#CCN(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897535245 584009752 /nfs/dbraw/zinc/00/97/52/584009752.db2.gz DRAUDNKSLOFXNZ-NSHDSACASA-N 1 0 222.288 -0.201 20 30 BBEDRO N#CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897591624 584023463 /nfs/dbraw/zinc/02/34/63/584023463.db2.gz PDNKGEBFIKVNHQ-JTQLQIEISA-N 1 0 223.276 -0.263 20 30 BBEDRO N#CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897591625 584023311 /nfs/dbraw/zinc/02/33/11/584023311.db2.gz PDNKGEBFIKVNHQ-SNVBAGLBSA-N 1 0 223.276 -0.263 20 30 BBEDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCC#CCO ZINC000897675158 584035302 /nfs/dbraw/zinc/03/53/02/584035302.db2.gz SJCKIRFSFLTPPF-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCC#CCO ZINC000897675159 584035450 /nfs/dbraw/zinc/03/54/50/584035450.db2.gz SJCKIRFSFLTPPF-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C=C1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000898699973 584150418 /nfs/dbraw/zinc/15/04/18/584150418.db2.gz XOXJHIQAYHLPSY-LLVKDONJSA-N 1 0 221.304 -0.225 20 30 BBEDRO C=C1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000898699976 584150430 /nfs/dbraw/zinc/15/04/30/584150430.db2.gz XOXJHIQAYHLPSY-NSHDSACASA-N 1 0 221.304 -0.225 20 30 BBEDRO C=C[C@H](CO)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898987585 584168332 /nfs/dbraw/zinc/16/83/32/584168332.db2.gz ZKKSQYVOYCNFAD-GHMZBOCLSA-N 1 0 240.303 -0.630 20 30 BBEDRO C=C[C@H](CO)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898987586 584168417 /nfs/dbraw/zinc/16/84/17/584168417.db2.gz ZKKSQYVOYCNFAD-MNOVXSKESA-N 1 0 240.303 -0.630 20 30 BBEDRO C#CC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000899055474 637072559 /nfs/dbraw/zinc/07/25/59/637072559.db2.gz NANKFILJKKZEOZ-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000899055476 637073043 /nfs/dbraw/zinc/07/30/43/637073043.db2.gz NANKFILJKKZEOZ-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC1(O)CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000899122683 584175976 /nfs/dbraw/zinc/17/59/76/584175976.db2.gz ZNHPWIWNQNAZOQ-JTQLQIEISA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CC1(O)CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000899122684 584176220 /nfs/dbraw/zinc/17/62/20/584176220.db2.gz ZNHPWIWNQNAZOQ-SNVBAGLBSA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000899145234 584177032 /nfs/dbraw/zinc/17/70/32/584177032.db2.gz XHERCBRFWMGBOE-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000899145235 584176830 /nfs/dbraw/zinc/17/68/30/584176830.db2.gz XHERCBRFWMGBOE-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCSCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000899145471 584177067 /nfs/dbraw/zinc/17/70/67/584177067.db2.gz KMYJWOGVHPLHMN-SNVBAGLBSA-N 1 0 242.344 -0.464 20 30 BBEDRO C#CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000899145898 584177093 /nfs/dbraw/zinc/17/70/93/584177093.db2.gz FTRODSJKELKLRU-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000899145899 584176898 /nfs/dbraw/zinc/17/68/98/584176898.db2.gz FTRODSJKELKLRU-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000899146664 584177191 /nfs/dbraw/zinc/17/71/91/584177191.db2.gz UEOILLSBFFKOMH-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000899146665 584176812 /nfs/dbraw/zinc/17/68/12/584176812.db2.gz UEOILLSBFFKOMH-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCSCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000899154074 584178502 /nfs/dbraw/zinc/17/85/02/584178502.db2.gz KMYJWOGVHPLHMN-JTQLQIEISA-N 1 0 242.344 -0.464 20 30 BBEDRO C=CCNC(=O)N1CCNCC[NH2+]CC1 ZINC000899242088 584185558 /nfs/dbraw/zinc/18/55/58/584185558.db2.gz SSZBETMCVHEGFW-UHFFFAOYSA-N 1 0 212.297 -0.623 20 30 BBEDRO C#CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000899242354 584185612 /nfs/dbraw/zinc/18/56/12/584185612.db2.gz ZOTRYJGFJXQZGA-VHSXEESVSA-N 1 0 207.277 -0.130 20 30 BBEDRO C#CCNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000899245662 584187467 /nfs/dbraw/zinc/18/74/67/584187467.db2.gz URKAOFOBDAOCBV-UHFFFAOYSA-N 1 0 225.292 -0.231 20 30 BBEDRO C#CCNC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000899246618 584187494 /nfs/dbraw/zinc/18/74/94/584187494.db2.gz BMIMIYSEIWVYIH-JTQLQIEISA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCNC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000899246619 584187131 /nfs/dbraw/zinc/18/71/31/584187131.db2.gz BMIMIYSEIWVYIH-SNVBAGLBSA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC000899246658 584187489 /nfs/dbraw/zinc/18/74/89/584187489.db2.gz BWJXOBXBOWCPCC-SECBINFHSA-N 1 0 211.265 -0.751 20 30 BBEDRO C#CCNC(=O)N1CC[NH2+]C[C@H]1COC ZINC000899246660 584187187 /nfs/dbraw/zinc/18/71/87/584187187.db2.gz BWJXOBXBOWCPCC-VIFPVBQESA-N 1 0 211.265 -0.751 20 30 BBEDRO C=CCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC000899248116 584187658 /nfs/dbraw/zinc/18/76/58/584187658.db2.gz MUPWNKOOJWIXDY-SECBINFHSA-N 1 0 213.281 -0.198 20 30 BBEDRO C=CCNC(=O)N1CC[NH2+]C[C@H]1COC ZINC000899248117 584187745 /nfs/dbraw/zinc/18/77/45/584187745.db2.gz MUPWNKOOJWIXDY-VIFPVBQESA-N 1 0 213.281 -0.198 20 30 BBEDRO CNC(NCCO[C@@H]1CCOC1)=[NH+]C ZINC000899262048 584190489 /nfs/dbraw/zinc/19/04/89/584190489.db2.gz DZYJJKZWOYJBBI-MRVPVSSYSA-N 1 0 201.270 -0.413 20 30 BBEDRO CNC(NCCO[C@H]1CCOC1)=[NH+]C ZINC000899262050 584190618 /nfs/dbraw/zinc/19/06/18/584190618.db2.gz DZYJJKZWOYJBBI-QMMMGPOBSA-N 1 0 201.270 -0.413 20 30 BBEDRO CNC(NC[C@@H](O)c1ccnn1C)=[NH+]C ZINC000899262452 584190428 /nfs/dbraw/zinc/19/04/28/584190428.db2.gz LMQDWYOJQLDERU-MRVPVSSYSA-N 1 0 211.269 -0.752 20 30 BBEDRO CNC(NC[C@H](O)c1ccnn1C)=[NH+]C ZINC000899262453 584190584 /nfs/dbraw/zinc/19/05/84/584190584.db2.gz LMQDWYOJQLDERU-QMMMGPOBSA-N 1 0 211.269 -0.752 20 30 BBEDRO CNC(NCCOC1CCOCC1)=[NH+]C ZINC000899262502 584190583 /nfs/dbraw/zinc/19/05/83/584190583.db2.gz LYDOFEPEPHVVBI-UHFFFAOYSA-N 1 0 215.297 -0.023 20 30 BBEDRO CNC(NCC1CC2(C1)OCCO2)=[NH+]C ZINC000899262576 584190414 /nfs/dbraw/zinc/19/04/14/584190414.db2.gz MYFZRNLEZUIDQW-UHFFFAOYSA-N 1 0 213.281 -0.066 20 30 BBEDRO CCOCCOCCNC(NC)=[NH+]C ZINC000899262822 584190637 /nfs/dbraw/zinc/19/06/37/584190637.db2.gz RFHMHMJRKXABMR-UHFFFAOYSA-N 1 0 203.286 -0.166 20 30 BBEDRO CNC(NCc1cn(C)nc1OC)=[NH+]C ZINC000899263531 584191016 /nfs/dbraw/zinc/19/10/16/584191016.db2.gz BJQSVJXYHPGREY-UHFFFAOYSA-N 1 0 211.269 -0.277 20 30 BBEDRO CNC(NCCCn1ccc(=O)[nH]c1=O)=[NH+]C ZINC000899263558 584190886 /nfs/dbraw/zinc/19/08/86/584190886.db2.gz CLDVFVGFKGDZKH-UHFFFAOYSA-N 1 0 239.279 -0.866 20 30 BBEDRO CCNC(NCCCc1nnnn1C)=[NH+]CC ZINC000899263787 584190922 /nfs/dbraw/zinc/19/09/22/584190922.db2.gz OKTVGIYOWOTPGQ-UHFFFAOYSA-N 1 0 239.327 -0.282 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)C(C)(C)C#N ZINC000899731558 584231430 /nfs/dbraw/zinc/23/14/30/584231430.db2.gz AKNOJXAHVAZHNT-UHFFFAOYSA-N 1 0 213.281 -0.424 20 30 BBEDRO C#Cc1ccc(C(=O)NCC[N@H+](C)CCO)nc1 ZINC000899731968 584235012 /nfs/dbraw/zinc/23/50/12/584235012.db2.gz AIHMJAVANWUSEJ-UHFFFAOYSA-N 1 0 247.298 -0.283 20 30 BBEDRO C=CCCOCC(=O)NCC[N@H+](C)CCO ZINC000899732597 584234425 /nfs/dbraw/zinc/23/44/25/584234425.db2.gz JXWZECINOGNWPR-UHFFFAOYSA-N 1 0 230.308 -0.381 20 30 BBEDRO C=CCCC(=O)NCC[N@H+](C)CCO ZINC000899733376 584234372 /nfs/dbraw/zinc/23/43/72/584234372.db2.gz ZVOVGLATBPKNJM-UHFFFAOYSA-N 1 0 200.282 -0.007 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)C1(C#N)CCC1 ZINC000899733441 584234331 /nfs/dbraw/zinc/23/43/31/584234331.db2.gz BSWLJFJJXMWQCG-UHFFFAOYSA-N 1 0 225.292 -0.279 20 30 BBEDRO C=CCOCC(=O)NCC[N@H+](C)CCO ZINC000899733560 584235018 /nfs/dbraw/zinc/23/50/18/584235018.db2.gz DGOMCHOBJXDAET-UHFFFAOYSA-N 1 0 216.281 -0.771 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)c1ccc(C#N)cn1 ZINC000899734028 584235856 /nfs/dbraw/zinc/23/58/56/584235856.db2.gz RDROVQKLYOJQHL-UHFFFAOYSA-N 1 0 248.286 -0.393 20 30 BBEDRO C#Cc1ccc(C(=O)NCC[N@H+](C)CCO)cn1 ZINC000899734151 584235824 /nfs/dbraw/zinc/23/58/24/584235824.db2.gz WUKQYMMEVXBPLU-UHFFFAOYSA-N 1 0 247.298 -0.283 20 30 BBEDRO CC1CC(C#N)(C(=O)NCC[N@H+](C)CCO)C1 ZINC000899734640 584231888 /nfs/dbraw/zinc/23/18/88/584231888.db2.gz NYPKZBASMOILIS-UHFFFAOYSA-N 1 0 239.319 -0.033 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)c1cc(C#N)c[nH]1 ZINC000899734744 584231984 /nfs/dbraw/zinc/23/19/84/584231984.db2.gz QRPWPVGCHFNYLK-UHFFFAOYSA-N 1 0 236.275 -0.460 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)CC(C)(C)C#N ZINC000899736841 584231641 /nfs/dbraw/zinc/23/16/41/584231641.db2.gz ABJNGGTYOIYJMG-UHFFFAOYSA-N 1 0 227.308 -0.033 20 30 BBEDRO C#Cc1cncc(C(=O)NCC[N@H+](C)CCO)c1 ZINC000899736888 584231381 /nfs/dbraw/zinc/23/13/81/584231381.db2.gz BAVHYZOHYVGMDR-UHFFFAOYSA-N 1 0 247.298 -0.283 20 30 BBEDRO C#CCOCCC(=O)NCC[N@H+](C)CCO ZINC000899737111 584231392 /nfs/dbraw/zinc/23/13/92/584231392.db2.gz YNWUFSZFMKCPKK-UHFFFAOYSA-N 1 0 228.292 -0.933 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)c1ccc(C#N)[nH]1 ZINC000899737128 584231765 /nfs/dbraw/zinc/23/17/65/584231765.db2.gz ZBJCKRZCVFKSGX-UHFFFAOYSA-N 1 0 236.275 -0.460 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)c1c[nH]c(C#N)c1 ZINC000899737180 584232037 /nfs/dbraw/zinc/23/20/37/584232037.db2.gz BVOMOGHHJLOAQL-UHFFFAOYSA-N 1 0 236.275 -0.460 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)c1ccnc(C#N)c1 ZINC000899737256 584232579 /nfs/dbraw/zinc/23/25/79/584232579.db2.gz DZFPETDGAGUTRO-UHFFFAOYSA-N 1 0 248.286 -0.393 20 30 BBEDRO CC[C@](C)(C#N)C(=O)NCC[N@H+](C)CCO ZINC000899737292 584232229 /nfs/dbraw/zinc/23/22/29/584232229.db2.gz GKSIMZRJHGFVMJ-LLVKDONJSA-N 1 0 227.308 -0.033 20 30 BBEDRO CC[C@@](C)(C#N)C(=O)NCC[N@H+](C)CCO ZINC000899737293 584232763 /nfs/dbraw/zinc/23/27/63/584232763.db2.gz GKSIMZRJHGFVMJ-NSHDSACASA-N 1 0 227.308 -0.033 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)c1cc(C#N)ccn1 ZINC000899737504 584232688 /nfs/dbraw/zinc/23/26/88/584232688.db2.gz JOMMYTRGLVWOCN-UHFFFAOYSA-N 1 0 248.286 -0.393 20 30 BBEDRO C#CCC(CC#C)C(=O)NCC[N@H+](C)CCO ZINC000899737527 584232736 /nfs/dbraw/zinc/23/27/36/584232736.db2.gz KLNBWOCQPWILCB-UHFFFAOYSA-N 1 0 236.315 -0.311 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)CCO ZINC000899737550 584232430 /nfs/dbraw/zinc/23/24/30/584232430.db2.gz LNNWNEIIEUAJKC-LLVKDONJSA-N 1 0 230.308 -0.646 20 30 BBEDRO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)CCO ZINC000899737551 584232823 /nfs/dbraw/zinc/23/28/23/584232823.db2.gz LNNWNEIIEUAJKC-NSHDSACASA-N 1 0 230.308 -0.646 20 30 BBEDRO C#CCCCC(=O)NCC[N@H+](C)CCO ZINC000899737771 584232748 /nfs/dbraw/zinc/23/27/48/584232748.db2.gz NVYHXAAHRLMFLF-UHFFFAOYSA-N 1 0 212.293 -0.170 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)c1cccc(C#N)n1 ZINC000899738460 584233129 /nfs/dbraw/zinc/23/31/29/584233129.db2.gz CCDNVZNQSRQLMA-UHFFFAOYSA-N 1 0 248.286 -0.393 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)c1ccc(C#N)o1 ZINC000899738615 584232570 /nfs/dbraw/zinc/23/25/70/584232570.db2.gz JBUGJEPZIDSJAW-UHFFFAOYSA-N 1 0 237.259 -0.195 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)CCCC#N ZINC000899738846 584234197 /nfs/dbraw/zinc/23/41/97/584234197.db2.gz NVBKAXOVWKMRJU-UHFFFAOYSA-N 1 0 213.281 -0.279 20 30 BBEDRO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)CCO ZINC000899739210 584234139 /nfs/dbraw/zinc/23/41/39/584234139.db2.gz TURIGRFKULGDPX-JTQLQIEISA-N 1 0 228.292 -0.935 20 30 BBEDRO C#CCO[C@H](C)C(=O)NCC[N@H+](C)CCO ZINC000899739211 584233573 /nfs/dbraw/zinc/23/35/73/584233573.db2.gz TURIGRFKULGDPX-SNVBAGLBSA-N 1 0 228.292 -0.935 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)CC1(C#N)CC1 ZINC000899739354 584233835 /nfs/dbraw/zinc/23/38/35/584233835.db2.gz VKRVHYILOGNPSA-UHFFFAOYSA-N 1 0 225.292 -0.279 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000899739370 584233934 /nfs/dbraw/zinc/23/39/34/584233934.db2.gz VSIITZDAWBHDQQ-MNOVXSKESA-N 1 0 242.319 -0.382 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)c1coc(C#N)c1 ZINC000899740423 584234131 /nfs/dbraw/zinc/23/41/31/584234131.db2.gz CDIQFTGOAHUJRR-UHFFFAOYSA-N 1 0 237.259 -0.195 20 30 BBEDRO CC[C@H](C#N)C(=O)NCC[N@H+](C)CCO ZINC000899741139 584233564 /nfs/dbraw/zinc/23/35/64/584233564.db2.gz TVBZSFXUDVPRPL-SECBINFHSA-N 1 0 213.281 -0.424 20 30 BBEDRO CC[C@@H](C#N)C(=O)NCC[N@H+](C)CCO ZINC000899741140 584233388 /nfs/dbraw/zinc/23/33/88/584233388.db2.gz TVBZSFXUDVPRPL-VIFPVBQESA-N 1 0 213.281 -0.424 20 30 BBEDRO C#CCSCC(=O)NCC[N@H+](C)CCO ZINC000899742361 584234396 /nfs/dbraw/zinc/23/43/96/584234396.db2.gz XISZGCPKZBIMET-UHFFFAOYSA-N 1 0 230.333 -0.607 20 30 BBEDRO C=C1CN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000899900168 584248396 /nfs/dbraw/zinc/24/83/96/584248396.db2.gz KILBLYGNLSZQLX-LLVKDONJSA-N 1 0 214.309 -0.203 20 30 BBEDRO C=C1CN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000899900169 584248208 /nfs/dbraw/zinc/24/82/08/584248208.db2.gz KILBLYGNLSZQLX-NSHDSACASA-N 1 0 214.309 -0.203 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)Cn1cc(C#N)nn1 ZINC000899901260 584250071 /nfs/dbraw/zinc/25/00/71/584250071.db2.gz HGFPJGCNKCDWSM-SECBINFHSA-N 1 0 209.253 -0.538 20 30 BBEDRO CC[N@H+](C)C[C@H](O)Cn1cc(C#N)nn1 ZINC000899901261 584250098 /nfs/dbraw/zinc/25/00/98/584250098.db2.gz HGFPJGCNKCDWSM-VIFPVBQESA-N 1 0 209.253 -0.538 20 30 BBEDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc(C#N)nn1 ZINC000899901504 584250160 /nfs/dbraw/zinc/25/01/60/584250160.db2.gz NQHKRHCHDGNWFX-JTQLQIEISA-N 1 0 223.280 -0.149 20 30 BBEDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc(C#N)nn1 ZINC000899901505 584250155 /nfs/dbraw/zinc/25/01/55/584250155.db2.gz NQHKRHCHDGNWFX-SNVBAGLBSA-N 1 0 223.280 -0.149 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[N@@H+]1CC[C@@H]1CO ZINC000899911463 584253584 /nfs/dbraw/zinc/25/35/84/584253584.db2.gz UVICBONGZMEBCU-GHMZBOCLSA-N 1 0 227.308 -0.741 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[N@@H+]1CC[C@@H]1CO ZINC000899911465 584253770 /nfs/dbraw/zinc/25/37/70/584253770.db2.gz UVICBONGZMEBCU-MNOVXSKESA-N 1 0 227.308 -0.741 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[N@@H+]1CC[C@H]1CO ZINC000899911467 584253469 /nfs/dbraw/zinc/25/34/69/584253469.db2.gz UVICBONGZMEBCU-QWRGUYRKSA-N 1 0 227.308 -0.741 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[N@@H+]1CC[C@H]1CO ZINC000899911468 584253912 /nfs/dbraw/zinc/25/39/12/584253912.db2.gz UVICBONGZMEBCU-WDEREUQCSA-N 1 0 227.308 -0.741 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)OC ZINC000899935036 584258030 /nfs/dbraw/zinc/25/80/30/584258030.db2.gz HIGAMBLVPUZLNS-UHFFFAOYSA-N 1 0 214.265 -0.217 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CCNC(=O)C1 ZINC000899951778 584259846 /nfs/dbraw/zinc/25/98/46/584259846.db2.gz LFQYGENWLHVRLV-UHFFFAOYSA-N 1 0 225.292 -0.547 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCNC(C)=O ZINC000899956622 584260103 /nfs/dbraw/zinc/26/01/03/584260103.db2.gz FBNQWFZHACKEQJ-UHFFFAOYSA-N 1 0 227.308 -0.253 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)NC ZINC000899975262 584262743 /nfs/dbraw/zinc/26/27/43/584262743.db2.gz IYQNJGGGPIUNPA-UHFFFAOYSA-N 1 0 213.281 -0.644 20 30 BBEDRO C#CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000899976007 584262738 /nfs/dbraw/zinc/26/27/38/584262738.db2.gz PWLVCHROBNCVNZ-LLVKDONJSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000899976011 584262792 /nfs/dbraw/zinc/26/27/92/584262792.db2.gz PWLVCHROBNCVNZ-NSHDSACASA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000899976477 584262799 /nfs/dbraw/zinc/26/27/99/584262799.db2.gz XUAIKXKSPPYZKU-UHFFFAOYSA-N 1 0 220.276 -0.192 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC(=O)NC ZINC000899980851 584261711 /nfs/dbraw/zinc/26/17/11/584261711.db2.gz GWEOPUJTPDMPMQ-UHFFFAOYSA-N 1 0 227.308 -0.301 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)NC1CC1 ZINC000899991123 584263211 /nfs/dbraw/zinc/26/32/11/584263211.db2.gz ZWVYGIUIECUHCY-UHFFFAOYSA-N 1 0 239.319 -0.111 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)NCC ZINC000900003488 637165462 /nfs/dbraw/zinc/16/54/62/637165462.db2.gz IHWJBCKHQDNJBI-UHFFFAOYSA-N 1 0 227.308 -0.253 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)N(C)C ZINC000900003927 637164456 /nfs/dbraw/zinc/16/44/56/637164456.db2.gz MQLGCMQTCIVMRE-UHFFFAOYSA-N 1 0 227.308 -0.301 20 30 BBEDRO Cn1c(SCC[NH3+])c(C#N)c(=O)n(C)c1=O ZINC000900022502 584267655 /nfs/dbraw/zinc/26/76/55/584267655.db2.gz UGKRDKOLICPLHX-UHFFFAOYSA-N 1 0 240.288 -0.994 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C(N)=O ZINC000900037485 584268296 /nfs/dbraw/zinc/26/82/96/584268296.db2.gz JSEKZWZHLWWNJN-MRVPVSSYSA-N 1 0 213.281 -0.516 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C(N)=O ZINC000900037488 584268177 /nfs/dbraw/zinc/26/81/77/584268177.db2.gz JSEKZWZHLWWNJN-QMMMGPOBSA-N 1 0 213.281 -0.516 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)C(=O)OC ZINC000900100981 584271194 /nfs/dbraw/zinc/27/11/94/584271194.db2.gz OGBLIHHTXBRUQL-SECBINFHSA-N 1 0 244.291 -0.856 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)C(=O)OC ZINC000900100983 584271055 /nfs/dbraw/zinc/27/10/55/584271055.db2.gz OGBLIHHTXBRUQL-VIFPVBQESA-N 1 0 244.291 -0.856 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCCO ZINC000900144708 584278025 /nfs/dbraw/zinc/27/80/25/584278025.db2.gz LPEUNMLNBURIRB-UHFFFAOYSA-N 1 0 200.282 -0.007 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCO ZINC000900144809 584277986 /nfs/dbraw/zinc/27/79/86/584277986.db2.gz OZUQNPQBOQWFRF-UHFFFAOYSA-N 1 0 200.282 -0.055 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCOCCO ZINC000900146265 584278524 /nfs/dbraw/zinc/27/85/24/584278524.db2.gz LKBSYEMYCHFDHZ-UHFFFAOYSA-N 1 0 230.308 -0.381 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)O ZINC000900147159 584278302 /nfs/dbraw/zinc/27/83/02/584278302.db2.gz VQGMHISDHMPVML-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](C)O ZINC000900147160 584278547 /nfs/dbraw/zinc/27/85/47/584278547.db2.gz VQGMHISDHMPVML-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CO ZINC000900151787 584282249 /nfs/dbraw/zinc/28/22/49/584282249.db2.gz WMKYVCLUMNWJHU-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CO ZINC000900151788 584282692 /nfs/dbraw/zinc/28/26/92/584282692.db2.gz WMKYVCLUMNWJHU-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCCC(N)=O ZINC000900203021 584287927 /nfs/dbraw/zinc/28/79/27/584287927.db2.gz WXTJJOSNUDHXNC-UHFFFAOYSA-N 1 0 227.308 -0.124 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC(N)=O ZINC000900204663 584285733 /nfs/dbraw/zinc/28/57/33/584285733.db2.gz RINGYLBKBHWPIV-UHFFFAOYSA-N 1 0 213.281 -0.562 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCS(C)(=O)=O ZINC000900242900 584288118 /nfs/dbraw/zinc/28/81/18/584288118.db2.gz GDXVCXDEHYYKKF-UHFFFAOYSA-N 1 0 248.348 -0.345 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C(=O)NC ZINC000900302813 584292668 /nfs/dbraw/zinc/29/26/68/584292668.db2.gz FADJLBIIBATFOG-SECBINFHSA-N 1 0 227.308 -0.255 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C(=O)NC ZINC000900302814 584292842 /nfs/dbraw/zinc/29/28/42/584292842.db2.gz FADJLBIIBATFOG-VIFPVBQESA-N 1 0 227.308 -0.255 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)C(N)=O ZINC000900322162 584294889 /nfs/dbraw/zinc/29/48/89/584294889.db2.gz CDKNRNBWUPMDBJ-UHFFFAOYSA-N 1 0 227.308 -0.126 20 30 BBEDRO C#CCN(CC)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900354361 637179078 /nfs/dbraw/zinc/17/90/78/637179078.db2.gz ZFZPPLYFWYFSBH-CMPLNLGQSA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CCN(CC)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900354362 637179385 /nfs/dbraw/zinc/17/93/85/637179385.db2.gz ZFZPPLYFWYFSBH-JQWIXIFHSA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CCN(CC)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900354363 637178360 /nfs/dbraw/zinc/17/83/60/637178360.db2.gz ZFZPPLYFWYFSBH-PWSUYJOCSA-N 1 0 224.304 -0.077 20 30 BBEDRO C#CCN(CC)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900354364 637178775 /nfs/dbraw/zinc/17/87/75/637178775.db2.gz ZFZPPLYFWYFSBH-ZYHUDNBSSA-N 1 0 224.304 -0.077 20 30 BBEDRO CN(CCC#N)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900356141 637181731 /nfs/dbraw/zinc/18/17/31/637181731.db2.gz DFYZJYLWKSYMTH-GXSJLCMTSA-N 1 0 225.292 -0.186 20 30 BBEDRO CN(CCC#N)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900356143 637182764 /nfs/dbraw/zinc/18/27/64/637182764.db2.gz DFYZJYLWKSYMTH-KOLCDFICSA-N 1 0 225.292 -0.186 20 30 BBEDRO CN(CCC#N)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900356144 637182787 /nfs/dbraw/zinc/18/27/87/637182787.db2.gz DFYZJYLWKSYMTH-MWLCHTKSSA-N 1 0 225.292 -0.186 20 30 BBEDRO CN(CCC#N)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900356145 637181978 /nfs/dbraw/zinc/18/19/78/637181978.db2.gz DFYZJYLWKSYMTH-ONGXEEELSA-N 1 0 225.292 -0.186 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCC(=O)NC ZINC000900386757 584300728 /nfs/dbraw/zinc/30/07/28/584300728.db2.gz FYFWQZVZZKEYGJ-UHFFFAOYSA-N 1 0 227.308 -0.253 20 30 BBEDRO C[C@@H](C#N)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900399699 584302718 /nfs/dbraw/zinc/30/27/18/584302718.db2.gz HOJDAGSLBNEVSR-GXSJLCMTSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[C@@H](C#N)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900399702 584302710 /nfs/dbraw/zinc/30/27/10/584302710.db2.gz HOJDAGSLBNEVSR-ONGXEEELSA-N 1 0 225.292 -0.139 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCNC1=O ZINC000900439727 584310500 /nfs/dbraw/zinc/31/05/00/584310500.db2.gz CALRXGBLHKBYRB-JTQLQIEISA-N 1 0 239.319 -0.111 20 30 BBEDRO CN(CC#N)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900451062 584312469 /nfs/dbraw/zinc/31/24/69/584312469.db2.gz DFWXYRHKGSTUKG-JTQLQIEISA-N 1 0 223.276 -0.311 20 30 BBEDRO CN(CC#N)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900451063 584312465 /nfs/dbraw/zinc/31/24/65/584312465.db2.gz DFWXYRHKGSTUKG-SNVBAGLBSA-N 1 0 223.276 -0.311 20 30 BBEDRO CN(CC#N)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900451111 584312734 /nfs/dbraw/zinc/31/27/34/584312734.db2.gz FSZVNRFVFZKHBM-LLVKDONJSA-N 1 0 225.292 -0.185 20 30 BBEDRO CN(CC#N)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900451112 584312760 /nfs/dbraw/zinc/31/27/60/584312760.db2.gz FSZVNRFVFZKHBM-NSHDSACASA-N 1 0 225.292 -0.185 20 30 BBEDRO CN(CC#N)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900452203 584312968 /nfs/dbraw/zinc/31/29/68/584312968.db2.gz MLGGQKHNLMEGNX-PSASIEDQSA-N 1 0 211.265 -0.577 20 30 BBEDRO CN(CC#N)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900452204 584312806 /nfs/dbraw/zinc/31/28/06/584312806.db2.gz MLGGQKHNLMEGNX-SCZZXKLOSA-N 1 0 211.265 -0.577 20 30 BBEDRO CN(CC#N)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900452205 584312743 /nfs/dbraw/zinc/31/27/43/584312743.db2.gz MLGGQKHNLMEGNX-WCBMZHEXSA-N 1 0 211.265 -0.577 20 30 BBEDRO CN(CC#N)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900452206 584312630 /nfs/dbraw/zinc/31/26/30/584312630.db2.gz MLGGQKHNLMEGNX-WPRPVWTQSA-N 1 0 211.265 -0.577 20 30 BBEDRO N#CCN(CC#N)C(=O)C12CC[NH+](CC1)C2 ZINC000900464871 637187801 /nfs/dbraw/zinc/18/78/01/637187801.db2.gz SUNISJMLHMUGTM-UHFFFAOYSA-N 1 0 218.260 -0.042 20 30 BBEDRO C[NH+](C)CCn1nccc1C(=O)NCC#N ZINC000900464962 637187714 /nfs/dbraw/zinc/18/77/14/637187714.db2.gz WCFUCWLZUHQZEE-UHFFFAOYSA-N 1 0 221.264 -0.302 20 30 BBEDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCC#N)C1 ZINC000900465296 637187566 /nfs/dbraw/zinc/18/75/66/637187566.db2.gz ZJKPSINYUWRUDX-JTQLQIEISA-N 1 0 211.265 -0.527 20 30 BBEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCC#N)C1 ZINC000900465297 637187838 /nfs/dbraw/zinc/18/78/38/637187838.db2.gz ZJKPSINYUWRUDX-SNVBAGLBSA-N 1 0 211.265 -0.527 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000900488664 584316933 /nfs/dbraw/zinc/31/69/33/584316933.db2.gz KGDMVXCHRCMXIJ-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000900488672 584316979 /nfs/dbraw/zinc/31/69/79/584316979.db2.gz KGDMVXCHRCMXIJ-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCn1cncn1 ZINC000900502506 584319337 /nfs/dbraw/zinc/31/93/37/584319337.db2.gz LLBJXQDGAVNPGK-UHFFFAOYSA-N 1 0 237.307 -0.098 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CCCNC(=O)C1 ZINC000900510810 584320325 /nfs/dbraw/zinc/32/03/25/584320325.db2.gz IPIHCVXFFZOVIC-UHFFFAOYSA-N 1 0 239.319 -0.157 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CCNC(=O)[C@@H]1C ZINC000900523703 584318334 /nfs/dbraw/zinc/31/83/34/584318334.db2.gz DWVCLBWDTNKXOC-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CCNC(=O)[C@H]1C ZINC000900523705 584318314 /nfs/dbraw/zinc/31/83/14/584318314.db2.gz DWVCLBWDTNKXOC-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CCNC(=O)CC1 ZINC000900554501 584322221 /nfs/dbraw/zinc/32/22/21/584322221.db2.gz OPJTZDFQVZEGCR-UHFFFAOYSA-N 1 0 239.319 -0.157 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C(N)=O)C1 ZINC000900584759 584331881 /nfs/dbraw/zinc/33/18/81/584331881.db2.gz QMEJPMQIQHCXER-JTQLQIEISA-N 1 0 239.319 -0.172 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC000900584760 584331984 /nfs/dbraw/zinc/33/19/84/584331984.db2.gz QMEJPMQIQHCXER-SNVBAGLBSA-N 1 0 239.319 -0.172 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCC[S@](C)=O ZINC000900608343 584330988 /nfs/dbraw/zinc/33/09/88/584330988.db2.gz MEWURJMRGUURGP-HNNXBMFYSA-N 1 0 232.349 -0.011 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCC[S@@](C)=O ZINC000900608344 584330724 /nfs/dbraw/zinc/33/07/24/584330724.db2.gz MEWURJMRGUURGP-OAHLLOKOSA-N 1 0 232.349 -0.011 20 30 BBEDRO C=CC(=O)NCCNC(=O)C(=C)CC[NH+](C)C ZINC000900640288 584335454 /nfs/dbraw/zinc/33/54/54/584335454.db2.gz WEDQPKWTESLDSQ-UHFFFAOYSA-N 1 0 239.319 -0.087 20 30 BBEDRO C[C@H](C#N)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900651554 584336570 /nfs/dbraw/zinc/33/65/70/584336570.db2.gz YDPSPFNLVPGBKK-FXPVBKGRSA-N 1 0 225.292 -0.283 20 30 BBEDRO C[C@H](C#N)CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900651555 584336278 /nfs/dbraw/zinc/33/62/78/584336278.db2.gz YDPSPFNLVPGBKK-KKZNHRDASA-N 1 0 225.292 -0.283 20 30 BBEDRO C[C@H](C#N)CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900651556 584336449 /nfs/dbraw/zinc/33/64/49/584336449.db2.gz YDPSPFNLVPGBKK-WCABBAIRSA-N 1 0 225.292 -0.283 20 30 BBEDRO C[C@H](C#N)CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900651557 584336296 /nfs/dbraw/zinc/33/62/96/584336296.db2.gz YDPSPFNLVPGBKK-YWVKMMECSA-N 1 0 225.292 -0.283 20 30 BBEDRO C#CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900707419 584343075 /nfs/dbraw/zinc/34/30/75/584343075.db2.gz DMXZQRMMVSEKAN-GFCCVEGCSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900707420 584343065 /nfs/dbraw/zinc/34/30/65/584343065.db2.gz DMXZQRMMVSEKAN-LBPRGKRZSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900712223 584343945 /nfs/dbraw/zinc/34/39/45/584343945.db2.gz WOIMKZIADNDDER-GXSJLCMTSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900712226 584343880 /nfs/dbraw/zinc/34/38/80/584343880.db2.gz WOIMKZIADNDDER-KOLCDFICSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900712228 584343897 /nfs/dbraw/zinc/34/38/97/584343897.db2.gz WOIMKZIADNDDER-MWLCHTKSSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900712229 584343764 /nfs/dbraw/zinc/34/37/64/584343764.db2.gz WOIMKZIADNDDER-ONGXEEELSA-N 1 0 210.277 -0.419 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCNC(N)=O ZINC000900731452 584346945 /nfs/dbraw/zinc/34/69/45/584346945.db2.gz LZXSDKWRIFCPNX-UHFFFAOYSA-N 1 0 228.296 -0.721 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)Nc1nn[nH]n1 ZINC000900748002 584348638 /nfs/dbraw/zinc/34/86/38/584348638.db2.gz XQRSTUXKSOCRAV-UHFFFAOYSA-N 1 0 210.241 -0.354 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(C)C1=O ZINC000900784765 584350914 /nfs/dbraw/zinc/35/09/14/584350914.db2.gz UFVBZKATMFINCG-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)C1=O ZINC000900784766 584350931 /nfs/dbraw/zinc/35/09/31/584350931.db2.gz UFVBZKATMFINCG-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C)C(=O)C1 ZINC000900797001 584353185 /nfs/dbraw/zinc/35/31/85/584353185.db2.gz QPWCUJQOFRNWSG-UHFFFAOYSA-N 1 0 239.319 -0.205 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900813431 584354390 /nfs/dbraw/zinc/35/43/90/584354390.db2.gz ZBVIRVNNURFSIY-AXFHLTTASA-N 1 0 241.335 -0.716 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900813441 584353941 /nfs/dbraw/zinc/35/39/41/584353941.db2.gz ZBVIRVNNURFSIY-DCAQKATOSA-N 1 0 241.335 -0.716 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900813442 584354554 /nfs/dbraw/zinc/35/45/54/584354554.db2.gz ZBVIRVNNURFSIY-MXWKQRLJSA-N 1 0 241.335 -0.716 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900813443 584354041 /nfs/dbraw/zinc/35/40/41/584354041.db2.gz ZBVIRVNNURFSIY-VWYCJHECSA-N 1 0 241.335 -0.716 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCC(N)=O ZINC000900815927 584354629 /nfs/dbraw/zinc/35/46/29/584354629.db2.gz PJFSUQPIILMNRO-UHFFFAOYSA-N 1 0 213.281 -0.514 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CC(N)=O ZINC000900825424 637192593 /nfs/dbraw/zinc/19/25/93/637192593.db2.gz UZRYNVLXLGTXGK-SECBINFHSA-N 1 0 227.308 -0.126 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CC(N)=O ZINC000900825425 637192015 /nfs/dbraw/zinc/19/20/15/637192015.db2.gz UZRYNVLXLGTXGK-VIFPVBQESA-N 1 0 227.308 -0.126 20 30 BBEDRO C#CCN(CC#C)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900905786 637197817 /nfs/dbraw/zinc/19/78/17/637197817.db2.gz CVGOAZJZXQSPQX-AWEZNQCLSA-N 1 0 248.326 -0.072 20 30 BBEDRO C#CCN(CC#C)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900905787 637199379 /nfs/dbraw/zinc/19/93/79/637199379.db2.gz CVGOAZJZXQSPQX-CQSZACIVSA-N 1 0 248.326 -0.072 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000900916396 584366037 /nfs/dbraw/zinc/36/60/37/584366037.db2.gz AWBLOZCGHSKMNC-PHIMTYICSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCc1cn[nH]n1 ZINC000900935981 584367076 /nfs/dbraw/zinc/36/70/76/584367076.db2.gz YMOLGTYSWUGWAY-UHFFFAOYSA-N 1 0 223.280 -0.071 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC1(C(N)=O)CC1 ZINC000901040773 584377040 /nfs/dbraw/zinc/37/70/40/584377040.db2.gz UPNWFJUBSNSFFM-UHFFFAOYSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCn1cnnn1 ZINC000901051028 584379398 /nfs/dbraw/zinc/37/93/98/584379398.db2.gz HRVKWRJZZZQNAO-UHFFFAOYSA-N 1 0 238.295 -0.703 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCn1ncnn1 ZINC000901052346 584379446 /nfs/dbraw/zinc/37/94/46/584379446.db2.gz NNMRTRHIDJETQT-UHFFFAOYSA-N 1 0 238.295 -0.703 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCOCC(N)=O ZINC000901057951 584379705 /nfs/dbraw/zinc/37/97/05/584379705.db2.gz OZFMTPGGWVGXMA-UHFFFAOYSA-N 1 0 243.307 -0.888 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N=c1nc[nH]n1C ZINC000901085777 584383032 /nfs/dbraw/zinc/38/30/32/584383032.db2.gz KZMXEENINBBHIE-UHFFFAOYSA-N 1 0 223.280 -0.317 20 30 BBEDRO CC(=NN1CCN(C)CC1)c1c[nH]c(N)[nH+]1 ZINC000901123880 584387011 /nfs/dbraw/zinc/38/70/11/584387011.db2.gz RVKZXOPPSOXSJL-UHFFFAOYSA-N 1 0 222.296 -0.037 20 30 BBEDRO CNC(=S)NN=C(C)c1c[nH]c(N)[nH+]1 ZINC000901123960 584386978 /nfs/dbraw/zinc/38/69/78/584386978.db2.gz SNIFYBVMYDIKDO-UHFFFAOYSA-N 1 0 212.282 -0.190 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@]1(O)CCOC1 ZINC000901203161 584399396 /nfs/dbraw/zinc/39/93/96/584399396.db2.gz JPAAGMFUWBYJCS-GFCCVEGCSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@]1(O)CCOC1 ZINC000901203162 584399511 /nfs/dbraw/zinc/39/95/11/584399511.db2.gz JPAAGMFUWBYJCS-LBPRGKRZSA-N 1 0 242.319 -0.238 20 30 BBEDRO C[C@H]1CNC(NN=C2CCO[C@@]23CCOC3)=[NH+]1 ZINC000901214631 637235131 /nfs/dbraw/zinc/23/51/31/637235131.db2.gz CKUUREOKCXFQOV-GZMMTYOYSA-N 1 0 238.291 -0.141 20 30 BBEDRO C[C@@H]1CNC(NN=C2CCO[C@]23CCOC3)=[NH+]1 ZINC000901214632 637235499 /nfs/dbraw/zinc/23/54/99/637235499.db2.gz CKUUREOKCXFQOV-KCJUWKMLSA-N 1 0 238.291 -0.141 20 30 BBEDRO C[C@H]1CNC(NN=C2CCO[C@]23CCOC3)=[NH+]1 ZINC000901214633 637234959 /nfs/dbraw/zinc/23/49/59/637234959.db2.gz CKUUREOKCXFQOV-KWQFWETISA-N 1 0 238.291 -0.141 20 30 BBEDRO C[C@@H]1CNC(NN=C2CCO[C@@]23CCOC3)=[NH+]1 ZINC000901214634 637234467 /nfs/dbraw/zinc/23/44/67/637234467.db2.gz CKUUREOKCXFQOV-LDYMZIIASA-N 1 0 238.291 -0.141 20 30 BBEDRO CCn1cc(C=NNC2=[NH+]C[C@@H](C)N2)nn1 ZINC000901215045 584401223 /nfs/dbraw/zinc/40/12/23/584401223.db2.gz GRUOBEYPERBHNN-SSDOTTSWSA-N 1 0 221.268 -0.431 20 30 BBEDRO CCn1cc(C=NNC2=[NH+]C[C@H](C)N2)nn1 ZINC000901215048 584401325 /nfs/dbraw/zinc/40/13/25/584401325.db2.gz GRUOBEYPERBHNN-ZETCQYMHSA-N 1 0 221.268 -0.431 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](COC)C(N)=O ZINC000901237399 584405627 /nfs/dbraw/zinc/40/56/27/584405627.db2.gz ZPJUWFKHCQLAJI-SECBINFHSA-N 1 0 243.307 -0.889 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](COC)C(N)=O ZINC000901237400 584405968 /nfs/dbraw/zinc/40/59/68/584405968.db2.gz ZPJUWFKHCQLAJI-VIFPVBQESA-N 1 0 243.307 -0.889 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCNC1=O ZINC000901238111 584405769 /nfs/dbraw/zinc/40/57/69/584405769.db2.gz ZOQFWVFHHPAPNS-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCNC1=O ZINC000901238112 584405897 /nfs/dbraw/zinc/40/58/97/584405897.db2.gz ZOQFWVFHHPAPNS-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C[C@@H]1CC(NC(=O)[C@]2(C)C[C@H](O)CN2C)=NO1 ZINC000901249041 584409207 /nfs/dbraw/zinc/40/92/07/584409207.db2.gz AGLYGPGHGAGWDC-FYBVGQRMSA-N 1 0 241.291 -0.320 20 30 BBEDRO C[C@@H]1CC(NC(=O)[C@@]2(C)C[C@@H](O)CN2C)=NO1 ZINC000901249046 584409221 /nfs/dbraw/zinc/40/92/21/584409221.db2.gz AGLYGPGHGAGWDC-SOCHQFKDSA-N 1 0 241.291 -0.320 20 30 BBEDRO C[C@@H]1CC(NC(=O)[C@@]2(C)C[C@H](O)CN2C)=NO1 ZINC000901249047 584409407 /nfs/dbraw/zinc/40/94/07/584409407.db2.gz AGLYGPGHGAGWDC-VHSKPIJISA-N 1 0 241.291 -0.320 20 30 BBEDRO C[C@@H]1CC(NC(=O)[C@]2(C)C[C@@H](O)CN2C)=NO1 ZINC000901249048 584409414 /nfs/dbraw/zinc/40/94/14/584409414.db2.gz AGLYGPGHGAGWDC-XLDPMVHQSA-N 1 0 241.291 -0.320 20 30 BBEDRO COc1cn(C)nc1C(C)=NNC1=[NH+]CCN1 ZINC000901252442 584410509 /nfs/dbraw/zinc/41/05/09/584410509.db2.gz FYACJAXFGCNXPW-UHFFFAOYSA-N 1 0 236.279 -0.299 20 30 BBEDRO Cn1nc2c(c1C=NNC1=[NH+]CCN1)CCC2 ZINC000901252799 584410401 /nfs/dbraw/zinc/41/04/01/584410401.db2.gz OGXFFBAWFUPUMP-UHFFFAOYSA-N 1 0 232.291 -0.209 20 30 BBEDRO CCn1cnc(C=NNC2=[NH+]CCN2)c1 ZINC000901252800 584410067 /nfs/dbraw/zinc/41/00/67/584410067.db2.gz OHCNINVPSBQXCT-UHFFFAOYSA-N 1 0 206.253 -0.214 20 30 BBEDRO C1C[NH+]=C(NN=C2CCO[C@]23CCOC3)N1 ZINC000901252930 584410081 /nfs/dbraw/zinc/41/00/81/584410081.db2.gz RSWGFDYYRDYNPH-JTQLQIEISA-N 1 0 224.264 -0.529 20 30 BBEDRO C1C[NH+]=C(NN=C2CCO[C@@]23CCOC3)N1 ZINC000901252931 584410247 /nfs/dbraw/zinc/41/02/47/584410247.db2.gz RSWGFDYYRDYNPH-SNVBAGLBSA-N 1 0 224.264 -0.529 20 30 BBEDRO CC#CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901254956 584416260 /nfs/dbraw/zinc/41/62/60/584416260.db2.gz BZEHIFBNLAFWMC-GFCCVEGCSA-N 1 0 224.304 -0.027 20 30 BBEDRO CC#CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901254957 584416118 /nfs/dbraw/zinc/41/61/18/584416118.db2.gz BZEHIFBNLAFWMC-LBPRGKRZSA-N 1 0 224.304 -0.027 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)C(=O)OC ZINC000901256924 584416463 /nfs/dbraw/zinc/41/64/63/584416463.db2.gz PASKLIJIASLPLU-VIFPVBQESA-N 1 0 244.291 -0.856 20 30 BBEDRO CC#CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901261590 584417458 /nfs/dbraw/zinc/41/74/58/584417458.db2.gz UPQYUPFGIGDRMM-GXSJLCMTSA-N 1 0 210.277 -0.419 20 30 BBEDRO CC#CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901261591 584417394 /nfs/dbraw/zinc/41/73/94/584417394.db2.gz UPQYUPFGIGDRMM-KOLCDFICSA-N 1 0 210.277 -0.419 20 30 BBEDRO CC#CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901261592 584417297 /nfs/dbraw/zinc/41/72/97/584417297.db2.gz UPQYUPFGIGDRMM-MWLCHTKSSA-N 1 0 210.277 -0.419 20 30 BBEDRO CC#CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901261593 584417249 /nfs/dbraw/zinc/41/72/49/584417249.db2.gz UPQYUPFGIGDRMM-ONGXEEELSA-N 1 0 210.277 -0.419 20 30 BBEDRO COCC(COC)NN=C(C)c1c[nH]c(N)[nH+]1 ZINC000901268751 584418431 /nfs/dbraw/zinc/41/84/31/584418431.db2.gz AAOSXBSIFRTMJZ-UHFFFAOYSA-N 1 0 241.295 -0.033 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@H](O)CO ZINC000901286125 584422215 /nfs/dbraw/zinc/42/22/15/584422215.db2.gz FPMHIXNLNUKHKA-JTQLQIEISA-N 1 0 230.308 -0.694 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NOCC(N)=O ZINC000901316217 584429492 /nfs/dbraw/zinc/42/94/92/584429492.db2.gz AANXSUGUHVBUMT-UHFFFAOYSA-N 1 0 215.253 -0.973 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC(=O)N(C)C1 ZINC000901327661 584423784 /nfs/dbraw/zinc/42/37/84/584423784.db2.gz SNSKSQRWMYXMTG-UHFFFAOYSA-N 1 0 225.292 -0.248 20 30 BBEDRO C=CCNC(=O)CNC(=O)C(=C)CC[NH+](C)C ZINC000901342678 584428320 /nfs/dbraw/zinc/42/83/20/584428320.db2.gz GFZIOVGLUYOMOW-UHFFFAOYSA-N 1 0 239.319 -0.087 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CNC(=O)C1 ZINC000901344185 584434335 /nfs/dbraw/zinc/43/43/35/584434335.db2.gz HFJUGPIMZKZWOB-SECBINFHSA-N 1 0 225.292 -0.501 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CNC(=O)C1 ZINC000901344186 584434104 /nfs/dbraw/zinc/43/41/04/584434104.db2.gz HFJUGPIMZKZWOB-VIFPVBQESA-N 1 0 225.292 -0.501 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NN1CCCNC1=O ZINC000901349943 584431020 /nfs/dbraw/zinc/43/10/20/584431020.db2.gz VVSSABHXZJDFNI-UHFFFAOYSA-N 1 0 240.307 -0.059 20 30 BBEDRO CC#CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901356334 584432148 /nfs/dbraw/zinc/43/21/48/584432148.db2.gz ARLSRQYKMZLYBL-CMPLNLGQSA-N 1 0 224.304 -0.029 20 30 BBEDRO CC#CCCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901356335 584431977 /nfs/dbraw/zinc/43/19/77/584431977.db2.gz ARLSRQYKMZLYBL-JQWIXIFHSA-N 1 0 224.304 -0.029 20 30 BBEDRO CC#CCCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901356336 584432221 /nfs/dbraw/zinc/43/22/21/584432221.db2.gz ARLSRQYKMZLYBL-PWSUYJOCSA-N 1 0 224.304 -0.029 20 30 BBEDRO CC#CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901356337 584431996 /nfs/dbraw/zinc/43/19/96/584431996.db2.gz ARLSRQYKMZLYBL-ZYHUDNBSSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CCC[NH+]1CCC(NC(=O)CCO)CC1 ZINC000902873422 584684673 /nfs/dbraw/zinc/68/46/73/584684673.db2.gz FHDDCLXCACUGQH-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)C(=O)NC2CC2)CC1 ZINC000902940573 584701565 /nfs/dbraw/zinc/70/15/65/584701565.db2.gz UBOYCZVPYKWBBC-UHFFFAOYSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)c2ncnn2C)CC1 ZINC000902945951 584696316 /nfs/dbraw/zinc/69/63/16/584696316.db2.gz SXVHSZIABLOTEG-UHFFFAOYSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CCN1CCC[C@H](NC(=O)CCO)C1 ZINC000902967669 584702469 /nfs/dbraw/zinc/70/24/69/584702469.db2.gz LHUUOTUCFMQVGM-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CCN1CCC[C@@H](NC(=O)CCO)C1 ZINC000902967670 584702115 /nfs/dbraw/zinc/70/21/15/584702115.db2.gz LHUUOTUCFMQVGM-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)CCO)CC1 ZINC000902968414 584702966 /nfs/dbraw/zinc/70/29/66/584702966.db2.gz HOYDUSFANVGKMG-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)OC1COC1 ZINC000902968693 584703154 /nfs/dbraw/zinc/70/31/54/584703154.db2.gz RARRUZSYHKJIHN-UHFFFAOYSA-N 1 0 212.249 -0.324 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903140440 584730925 /nfs/dbraw/zinc/73/09/25/584730925.db2.gz DTIPPZGWVKWDDQ-CMPLNLGQSA-N 1 0 240.303 -0.174 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903140441 584730795 /nfs/dbraw/zinc/73/07/95/584730795.db2.gz DTIPPZGWVKWDDQ-JQWIXIFHSA-N 1 0 240.303 -0.174 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903140442 584730688 /nfs/dbraw/zinc/73/06/88/584730688.db2.gz DTIPPZGWVKWDDQ-PWSUYJOCSA-N 1 0 240.303 -0.174 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903140443 584730595 /nfs/dbraw/zinc/73/05/95/584730595.db2.gz DTIPPZGWVKWDDQ-ZYHUDNBSSA-N 1 0 240.303 -0.174 20 30 BBEDRO N#Cc1sccc1S(=O)(=O)NCC[NH3+] ZINC000903479762 584778280 /nfs/dbraw/zinc/77/82/80/584778280.db2.gz FIBXWVLCJMQBQC-UHFFFAOYSA-N 1 0 231.302 -0.143 20 30 BBEDRO N#Cc1sccc1S(=O)(=O)NC1C[NH2+]C1 ZINC000903486090 584779542 /nfs/dbraw/zinc/77/95/42/584779542.db2.gz LIBORHUSCZXGEC-UHFFFAOYSA-N 1 0 243.313 -0.130 20 30 BBEDRO C[NH2+]CCNS(=O)(=O)c1ccc(C#N)cn1 ZINC000903486108 584779790 /nfs/dbraw/zinc/77/97/90/584779790.db2.gz MJVJUZIGUVEMPU-UHFFFAOYSA-N 1 0 240.288 -0.549 20 30 BBEDRO N#Cc1ccc(S(=O)(=O)NC2C[NH2+]C2)nc1 ZINC000903486117 584779769 /nfs/dbraw/zinc/77/97/69/584779769.db2.gz MSJXXTMDRMYJJC-UHFFFAOYSA-N 1 0 238.272 -0.797 20 30 BBEDRO C=CCCS(=O)(=O)NCC1([NH3+])CC1 ZINC000903527917 584781845 /nfs/dbraw/zinc/78/18/45/584781845.db2.gz ZMFZZYBUVIPLKG-UHFFFAOYSA-N 1 0 204.295 -0.027 20 30 BBEDRO CN(CCC#N)S(=O)(=O)NCC1([NH3+])CC1 ZINC000903527922 584781671 /nfs/dbraw/zinc/78/16/71/584781671.db2.gz ZOFBJYZEYUFRHR-UHFFFAOYSA-N 1 0 232.309 -0.842 20 30 BBEDRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)N(C)CCC#N ZINC000903534913 637368408 /nfs/dbraw/zinc/36/84/08/637368408.db2.gz VITDSCLVOVGJMV-RKDXNWHRSA-N 1 0 246.336 -0.726 20 30 BBEDRO C=CC(C)(C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000903598946 637373409 /nfs/dbraw/zinc/37/34/09/637373409.db2.gz SVESMHUVJRWFHZ-UHFFFAOYSA-N 1 0 233.337 -0.309 20 30 BBEDRO C=CC(C)(C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903599186 637374252 /nfs/dbraw/zinc/37/42/52/637374252.db2.gz WKTWNHXKEPJBNF-SECBINFHSA-N 1 0 248.348 -0.141 20 30 BBEDRO C=CC(C)(C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903599187 637373308 /nfs/dbraw/zinc/37/33/08/637373308.db2.gz WKTWNHXKEPJBNF-VIFPVBQESA-N 1 0 248.348 -0.141 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903719216 637377682 /nfs/dbraw/zinc/37/76/82/637377682.db2.gz JBTDUXHHIYNWLT-SECBINFHSA-N 1 0 239.319 -0.174 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903719218 637377354 /nfs/dbraw/zinc/37/73/54/637377354.db2.gz JBTDUXHHIYNWLT-VIFPVBQESA-N 1 0 239.319 -0.174 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903719487 637377374 /nfs/dbraw/zinc/37/73/74/637377374.db2.gz MCQXCLSFNVUWGE-VIFPVBQESA-N 1 0 225.292 -0.420 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903754209 584798458 /nfs/dbraw/zinc/79/84/58/584798458.db2.gz BWCCJEANBWAGRK-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903789765 637384097 /nfs/dbraw/zinc/38/40/97/637384097.db2.gz DGJDAWRQJWANLZ-VIFPVBQESA-N 1 0 223.276 -0.972 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000903808692 584803577 /nfs/dbraw/zinc/80/35/77/584803577.db2.gz JFSCQVPKSHKDEQ-UHFFFAOYSA-N 1 0 239.319 -0.466 20 30 BBEDRO C[NH2+]C[C@@](C)(O)CN1CCO[C@](C)(C#N)C1 ZINC000903824351 584804405 /nfs/dbraw/zinc/80/44/05/584804405.db2.gz PJUCQYQNVSSFTI-GHMZBOCLSA-N 1 0 227.308 -0.429 20 30 BBEDRO C[NH2+]C[C@@](C)(O)CN1CCO[C@@](C)(C#N)C1 ZINC000903824353 584804377 /nfs/dbraw/zinc/80/43/77/584804377.db2.gz PJUCQYQNVSSFTI-MNOVXSKESA-N 1 0 227.308 -0.429 20 30 BBEDRO C[NH2+]C[C@](C)(O)CN1CCO[C@@](C)(C#N)C1 ZINC000903824354 584804422 /nfs/dbraw/zinc/80/44/22/584804422.db2.gz PJUCQYQNVSSFTI-QWRGUYRKSA-N 1 0 227.308 -0.429 20 30 BBEDRO C[NH2+]C[C@](C)(O)CN1CCO[C@](C)(C#N)C1 ZINC000903824356 584804312 /nfs/dbraw/zinc/80/43/12/584804312.db2.gz PJUCQYQNVSSFTI-WDEREUQCSA-N 1 0 227.308 -0.429 20 30 BBEDRO C[C@]1(C#N)CN(CCOCC[NH3+])CCO1 ZINC000903824596 584804517 /nfs/dbraw/zinc/80/45/17/584804517.db2.gz RLZBCFYYRYSRRR-JTQLQIEISA-N 1 0 213.281 -0.424 20 30 BBEDRO C[C@@]1(C#N)CN(CCOCC[NH3+])CCO1 ZINC000903824597 584804520 /nfs/dbraw/zinc/80/45/20/584804520.db2.gz RLZBCFYYRYSRRR-SNVBAGLBSA-N 1 0 213.281 -0.424 20 30 BBEDRO C[C@@]1(C#N)CN(C[C@H]2C[NH2+]CCO2)CCO1 ZINC000903825026 584804448 /nfs/dbraw/zinc/80/44/48/584804448.db2.gz XHIATJBADMPYKB-GHMZBOCLSA-N 1 0 225.292 -0.411 20 30 BBEDRO C[C@]1(C#N)CN(C[C@H]2C[NH2+]CCO2)CCO1 ZINC000903825027 584804416 /nfs/dbraw/zinc/80/44/16/584804416.db2.gz XHIATJBADMPYKB-MNOVXSKESA-N 1 0 225.292 -0.411 20 30 BBEDRO C[C@]1(C#N)CN(C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000903825028 584804521 /nfs/dbraw/zinc/80/45/21/584804521.db2.gz XHIATJBADMPYKB-QWRGUYRKSA-N 1 0 225.292 -0.411 20 30 BBEDRO C[C@@]1(C#N)CN(C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000903825029 584804619 /nfs/dbraw/zinc/80/46/19/584804619.db2.gz XHIATJBADMPYKB-WDEREUQCSA-N 1 0 225.292 -0.411 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+]C[C@H]1CCOC ZINC000903831859 584806300 /nfs/dbraw/zinc/80/63/00/584806300.db2.gz XROPWCPOMJKAEQ-LLVKDONJSA-N 1 0 241.335 -0.401 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+]C[C@@H]1CCOC ZINC000903831860 584805997 /nfs/dbraw/zinc/80/59/97/584805997.db2.gz XROPWCPOMJKAEQ-NSHDSACASA-N 1 0 241.335 -0.401 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+]C[C@H]1COC ZINC000903875098 584816395 /nfs/dbraw/zinc/81/63/95/584816395.db2.gz MMPUTLIYVWWZAJ-JTQLQIEISA-N 1 0 227.308 -0.791 20 30 BBEDRO C=CCNC(=O)CN1CC[NH2+]C[C@@H]1COC ZINC000903875099 584816420 /nfs/dbraw/zinc/81/64/20/584816420.db2.gz MMPUTLIYVWWZAJ-SNVBAGLBSA-N 1 0 227.308 -0.791 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905003079 637542493 /nfs/dbraw/zinc/54/24/93/637542493.db2.gz WJGBYWUEZDGSHQ-GWCFXTLKSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905003081 637540647 /nfs/dbraw/zinc/54/06/47/637540647.db2.gz WJGBYWUEZDGSHQ-GXFFZTMASA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905003083 637542125 /nfs/dbraw/zinc/54/21/25/637542125.db2.gz WJGBYWUEZDGSHQ-MFKMUULPSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905003084 637542717 /nfs/dbraw/zinc/54/27/17/637542717.db2.gz WJGBYWUEZDGSHQ-ZWNOBZJWSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCNC(=O)NCCN1CCC([NH3+])CC1 ZINC000905004408 637542170 /nfs/dbraw/zinc/54/21/70/637542170.db2.gz JXWBSZSOBFSYGR-UHFFFAOYSA-N 1 0 224.308 -0.658 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905011889 637547293 /nfs/dbraw/zinc/54/72/93/637547293.db2.gz LIGNCRMFVMUOBE-CYBMUJFWSA-N 1 0 249.314 -0.568 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905011890 637547152 /nfs/dbraw/zinc/54/71/52/637547152.db2.gz LIGNCRMFVMUOBE-ZDUSSCGKSA-N 1 0 249.314 -0.568 20 30 BBEDRO C=CCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000905052538 637569697 /nfs/dbraw/zinc/56/96/97/637569697.db2.gz IUGCBUINIXIFER-UHFFFAOYSA-N 1 0 211.309 -0.218 20 30 BBEDRO CC#CCNCc1cn(CC[NH+](C)C)nn1 ZINC000905061045 637595698 /nfs/dbraw/zinc/59/56/98/637595698.db2.gz BCKJIZINEJLHKK-UHFFFAOYSA-N 1 0 221.308 -0.047 20 30 BBEDRO C#CCCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905135397 637646231 /nfs/dbraw/zinc/64/62/31/637646231.db2.gz OCNLQQWUEVFNLW-NEPJUHHUSA-N 1 0 227.304 -0.108 20 30 BBEDRO C#CCCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905135399 637646317 /nfs/dbraw/zinc/64/63/17/637646317.db2.gz OCNLQQWUEVFNLW-NWDGAFQWSA-N 1 0 227.304 -0.108 20 30 BBEDRO C#CCCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905135400 637647466 /nfs/dbraw/zinc/64/74/66/637647466.db2.gz OCNLQQWUEVFNLW-RYUDHWBXSA-N 1 0 227.304 -0.108 20 30 BBEDRO C#CCCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905135402 637645819 /nfs/dbraw/zinc/64/58/19/637645819.db2.gz OCNLQQWUEVFNLW-VXGBXAGGSA-N 1 0 227.304 -0.108 20 30 BBEDRO C#CCCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905138247 637645590 /nfs/dbraw/zinc/64/55/90/637645590.db2.gz XQSCGNGBAQJGBT-LLVKDONJSA-N 1 0 227.304 -0.108 20 30 BBEDRO C#CCCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905138249 637646595 /nfs/dbraw/zinc/64/65/95/637646595.db2.gz XQSCGNGBAQJGBT-NSHDSACASA-N 1 0 227.304 -0.108 20 30 BBEDRO Cc1nc(C(=O)NCC#CC[NH+](C)C)no1 ZINC000905150969 637658658 /nfs/dbraw/zinc/65/86/58/637658658.db2.gz FBHPRQAQBWZABM-UHFFFAOYSA-N 1 0 222.248 -0.327 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1nccc(N)n1 ZINC000905151071 637660872 /nfs/dbraw/zinc/66/08/72/637660872.db2.gz HHLFHFVOOFPUKY-UHFFFAOYSA-N 1 0 233.275 -0.816 20 30 BBEDRO Cc1noc(C(=O)NCC#CC[NH+](C)C)n1 ZINC000905151303 637662126 /nfs/dbraw/zinc/66/21/26/637662126.db2.gz KSLQHZACHVJHII-UHFFFAOYSA-N 1 0 222.248 -0.327 20 30 BBEDRO Cn1ncnc1C(=O)NCC#CC[NH+](C)C ZINC000905152143 637661358 /nfs/dbraw/zinc/66/13/58/637661358.db2.gz VHJBEQGGPLZWOL-UHFFFAOYSA-N 1 0 221.264 -0.890 20 30 BBEDRO CCc1noc(C(=O)NCC#CC[NH+](C)C)n1 ZINC000905152145 637662297 /nfs/dbraw/zinc/66/22/97/637662297.db2.gz VJYKNLAJKZRMGZ-UHFFFAOYSA-N 1 0 236.275 -0.073 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cnns1 ZINC000905152407 637636429 /nfs/dbraw/zinc/63/64/29/637636429.db2.gz XUKSOHRHZUZCOO-UHFFFAOYSA-N 1 0 224.289 -0.167 20 30 BBEDRO Cn1ccnc1C(=O)NCC#CC[NH+](C)C ZINC000905152583 637635499 /nfs/dbraw/zinc/63/54/99/637635499.db2.gz YZLUVXRIWMLINA-UHFFFAOYSA-N 1 0 220.276 -0.285 20 30 BBEDRO C=CCOCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905199504 637694635 /nfs/dbraw/zinc/69/46/35/637694635.db2.gz BCNRMBSHICQVGM-NEPJUHHUSA-N 1 0 245.319 -0.319 20 30 BBEDRO C=CCOCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905199505 637693846 /nfs/dbraw/zinc/69/38/46/637693846.db2.gz BCNRMBSHICQVGM-NWDGAFQWSA-N 1 0 245.319 -0.319 20 30 BBEDRO C=CCOCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905199506 637693578 /nfs/dbraw/zinc/69/35/78/637693578.db2.gz BCNRMBSHICQVGM-RYUDHWBXSA-N 1 0 245.319 -0.319 20 30 BBEDRO C=CCOCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905199507 637694331 /nfs/dbraw/zinc/69/43/31/637694331.db2.gz BCNRMBSHICQVGM-VXGBXAGGSA-N 1 0 245.319 -0.319 20 30 BBEDRO CC#CCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905199856 637693785 /nfs/dbraw/zinc/69/37/85/637693785.db2.gz BVFSAQSSOOHXPQ-NEPJUHHUSA-N 1 0 227.304 -0.108 20 30 BBEDRO CC#CCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905199857 637694036 /nfs/dbraw/zinc/69/40/36/637694036.db2.gz BVFSAQSSOOHXPQ-NWDGAFQWSA-N 1 0 227.304 -0.108 20 30 BBEDRO CC#CCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905199858 637693842 /nfs/dbraw/zinc/69/38/42/637693842.db2.gz BVFSAQSSOOHXPQ-RYUDHWBXSA-N 1 0 227.304 -0.108 20 30 BBEDRO CC#CCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905199859 637694650 /nfs/dbraw/zinc/69/46/50/637694650.db2.gz BVFSAQSSOOHXPQ-VXGBXAGGSA-N 1 0 227.304 -0.108 20 30 BBEDRO CC#CCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905199889 637694015 /nfs/dbraw/zinc/69/40/15/637694015.db2.gz CKLOJDFDVGFKOY-LLVKDONJSA-N 1 0 227.304 -0.108 20 30 BBEDRO CC#CCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905199890 637693943 /nfs/dbraw/zinc/69/39/43/637693943.db2.gz CKLOJDFDVGFKOY-NSHDSACASA-N 1 0 227.304 -0.108 20 30 BBEDRO C=CCOCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905202826 711812618 /nfs/dbraw/zinc/81/26/18/711812618.db2.gz NLFZKTSRZCPKRC-LLVKDONJSA-N 1 0 245.319 -0.319 20 30 BBEDRO C=CCOCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905202827 711812619 /nfs/dbraw/zinc/81/26/19/711812619.db2.gz NLFZKTSRZCPKRC-NSHDSACASA-N 1 0 245.319 -0.319 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905206286 637695212 /nfs/dbraw/zinc/69/52/12/637695212.db2.gz BQWLIGMCEWUGPG-JTQLQIEISA-N 1 0 213.277 -0.498 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905206287 637696151 /nfs/dbraw/zinc/69/61/51/637696151.db2.gz BQWLIGMCEWUGPG-SNVBAGLBSA-N 1 0 213.277 -0.498 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905206897 637696362 /nfs/dbraw/zinc/69/63/62/637696362.db2.gz FABHYYQKVUGOAC-LLVKDONJSA-N 1 0 227.304 -0.108 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905206898 637695161 /nfs/dbraw/zinc/69/51/61/637695161.db2.gz FABHYYQKVUGOAC-NSHDSACASA-N 1 0 227.304 -0.108 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905210035 637698115 /nfs/dbraw/zinc/69/81/15/637698115.db2.gz TXOJJPHATHPZPS-LLVKDONJSA-N 1 0 243.303 -0.872 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905210036 637698448 /nfs/dbraw/zinc/69/84/48/637698448.db2.gz TXOJJPHATHPZPS-NSHDSACASA-N 1 0 243.303 -0.872 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905211233 637697510 /nfs/dbraw/zinc/69/75/10/637697510.db2.gz ZZGKGIHXWWFQKR-NEPJUHHUSA-N 1 0 243.303 -0.872 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905211234 637697868 /nfs/dbraw/zinc/69/78/68/637697868.db2.gz ZZGKGIHXWWFQKR-NWDGAFQWSA-N 1 0 243.303 -0.872 20 30 BBEDRO C#CCOCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905211235 637698258 /nfs/dbraw/zinc/69/82/58/637698258.db2.gz ZZGKGIHXWWFQKR-RYUDHWBXSA-N 1 0 243.303 -0.872 20 30 BBEDRO C#CCOCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905211236 637697966 /nfs/dbraw/zinc/69/79/66/637697966.db2.gz ZZGKGIHXWWFQKR-VXGBXAGGSA-N 1 0 243.303 -0.872 20 30 BBEDRO C#CCN(C)CCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905272163 637730158 /nfs/dbraw/zinc/73/01/58/637730158.db2.gz GFINVNRDUNIIPG-GFCCVEGCSA-N 1 0 240.347 -0.193 20 30 BBEDRO C#CCN(C)CCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905272165 637729274 /nfs/dbraw/zinc/72/92/74/637729274.db2.gz GFINVNRDUNIIPG-LBPRGKRZSA-N 1 0 240.347 -0.193 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@](C)(O)C(F)F ZINC000905352715 637772678 /nfs/dbraw/zinc/77/26/78/637772678.db2.gz BFHWWEVETBTBOG-APPZFPTMSA-N 1 0 207.220 -0.024 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@](C)(O)C(F)F ZINC000905352758 637774049 /nfs/dbraw/zinc/77/40/49/637774049.db2.gz BFHWWEVETBTBOG-CBAPKCEASA-N 1 0 207.220 -0.024 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@](C)(O)C(F)F ZINC000905352762 637772682 /nfs/dbraw/zinc/77/26/82/637772682.db2.gz BFHWWEVETBTBOG-IONNQARKSA-N 1 0 207.220 -0.024 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@](C)(O)C(F)F ZINC000905352765 637772880 /nfs/dbraw/zinc/77/28/80/637772880.db2.gz BFHWWEVETBTBOG-VXNVDRBHSA-N 1 0 207.220 -0.024 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905356109 637775356 /nfs/dbraw/zinc/77/53/56/637775356.db2.gz CMEODHYQVKTNRH-GHMZBOCLSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905356110 637775437 /nfs/dbraw/zinc/77/54/37/637775437.db2.gz CMEODHYQVKTNRH-MNOVXSKESA-N 1 0 227.304 -0.374 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905356111 637774861 /nfs/dbraw/zinc/77/48/61/637774861.db2.gz CMEODHYQVKTNRH-QWRGUYRKSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905356112 637775173 /nfs/dbraw/zinc/77/51/73/637775173.db2.gz CMEODHYQVKTNRH-WDEREUQCSA-N 1 0 227.304 -0.374 20 30 BBEDRO OCC#CC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905356178 637774755 /nfs/dbraw/zinc/77/47/55/637774755.db2.gz DLEINEHAPZPCKB-LLVKDONJSA-N 1 0 227.304 -0.372 20 30 BBEDRO OCC#CC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905356179 637775725 /nfs/dbraw/zinc/77/57/25/637775725.db2.gz DLEINEHAPZPCKB-NSHDSACASA-N 1 0 227.304 -0.372 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905356224 637775104 /nfs/dbraw/zinc/77/51/04/637775104.db2.gz FJRMPSWNHODCHV-NXEZZACHSA-N 1 0 215.293 -0.211 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905356225 637775924 /nfs/dbraw/zinc/77/59/24/637775924.db2.gz FJRMPSWNHODCHV-UWVGGRQHSA-N 1 0 215.293 -0.211 20 30 BBEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905356226 637775529 /nfs/dbraw/zinc/77/55/29/637775529.db2.gz FJRMPSWNHODCHV-VHSXEESVSA-N 1 0 215.293 -0.211 20 30 BBEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905356227 637774789 /nfs/dbraw/zinc/77/47/89/637774789.db2.gz FJRMPSWNHODCHV-ZJUUUORDSA-N 1 0 215.293 -0.211 20 30 BBEDRO OCC#CC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905358210 637777110 /nfs/dbraw/zinc/77/71/10/637777110.db2.gz PEHMGRNGKGVWFR-JTQLQIEISA-N 1 0 213.277 -0.762 20 30 BBEDRO OCC#CC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905358239 637776930 /nfs/dbraw/zinc/77/69/30/637776930.db2.gz PEHMGRNGKGVWFR-SNVBAGLBSA-N 1 0 213.277 -0.762 20 30 BBEDRO OCC#CC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905359002 637776844 /nfs/dbraw/zinc/77/68/44/637776844.db2.gz RQAOCFQXAJNPIQ-LLVKDONJSA-N 1 0 227.304 -0.372 20 30 BBEDRO OCC#CC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905359004 637777541 /nfs/dbraw/zinc/77/75/41/637777541.db2.gz RQAOCFQXAJNPIQ-NSHDSACASA-N 1 0 227.304 -0.372 20 30 BBEDRO OCC#CC[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905359300 637777776 /nfs/dbraw/zinc/77/77/76/637777776.db2.gz SPFPFEBJPQFTCU-GFCCVEGCSA-N 1 0 241.331 -0.125 20 30 BBEDRO OCC#CC[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905359303 637777432 /nfs/dbraw/zinc/77/74/32/637777432.db2.gz SPFPFEBJPQFTCU-LBPRGKRZSA-N 1 0 241.331 -0.125 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905360227 637778937 /nfs/dbraw/zinc/77/89/37/637778937.db2.gz YCFZLACJWREIAB-NXEZZACHSA-N 1 0 213.277 -0.764 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905360228 637778529 /nfs/dbraw/zinc/77/85/29/637778529.db2.gz YCFZLACJWREIAB-UWVGGRQHSA-N 1 0 213.277 -0.764 20 30 BBEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905360229 637779533 /nfs/dbraw/zinc/77/95/33/637779533.db2.gz YCFZLACJWREIAB-VHSXEESVSA-N 1 0 213.277 -0.764 20 30 BBEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905360230 637779449 /nfs/dbraw/zinc/77/94/49/637779449.db2.gz YCFZLACJWREIAB-ZJUUUORDSA-N 1 0 213.277 -0.764 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905364717 637788486 /nfs/dbraw/zinc/78/84/86/637788486.db2.gz LVLSQTPGPBTMFG-GHMZBOCLSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905364719 637788177 /nfs/dbraw/zinc/78/81/77/637788177.db2.gz LVLSQTPGPBTMFG-MNOVXSKESA-N 1 0 227.304 -0.374 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905364720 637787821 /nfs/dbraw/zinc/78/78/21/637787821.db2.gz LVLSQTPGPBTMFG-QWRGUYRKSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905364722 637788305 /nfs/dbraw/zinc/78/83/05/637788305.db2.gz LVLSQTPGPBTMFG-WDEREUQCSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905365467 637788191 /nfs/dbraw/zinc/78/81/91/637788191.db2.gz JNYZZQHRNIEMRS-GHMZBOCLSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905365468 637787979 /nfs/dbraw/zinc/78/79/79/637787979.db2.gz JNYZZQHRNIEMRS-MNOVXSKESA-N 1 0 227.304 -0.374 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905365470 637788488 /nfs/dbraw/zinc/78/84/88/637788488.db2.gz JNYZZQHRNIEMRS-QWRGUYRKSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905365471 637787916 /nfs/dbraw/zinc/78/79/16/637787916.db2.gz JNYZZQHRNIEMRS-WDEREUQCSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905365957 637788311 /nfs/dbraw/zinc/78/83/11/637788311.db2.gz LNPOSRRNFFGBGT-NEPJUHHUSA-N 1 0 241.331 -0.126 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905365958 637787555 /nfs/dbraw/zinc/78/75/55/637787555.db2.gz LNPOSRRNFFGBGT-NWDGAFQWSA-N 1 0 241.331 -0.126 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905365959 637789891 /nfs/dbraw/zinc/78/98/91/637789891.db2.gz LNPOSRRNFFGBGT-RYUDHWBXSA-N 1 0 241.331 -0.126 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905365960 637789596 /nfs/dbraw/zinc/78/95/96/637789596.db2.gz LNPOSRRNFFGBGT-VXGBXAGGSA-N 1 0 241.331 -0.126 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905366569 637789645 /nfs/dbraw/zinc/78/96/45/637789645.db2.gz PFMBLTCJWKEOGH-NXEZZACHSA-N 1 0 213.277 -0.764 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905366570 637789718 /nfs/dbraw/zinc/78/97/18/637789718.db2.gz PFMBLTCJWKEOGH-UWVGGRQHSA-N 1 0 213.277 -0.764 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905366572 637789532 /nfs/dbraw/zinc/78/95/32/637789532.db2.gz PFMBLTCJWKEOGH-VHSXEESVSA-N 1 0 213.277 -0.764 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905366574 637790027 /nfs/dbraw/zinc/79/00/27/637790027.db2.gz PFMBLTCJWKEOGH-ZJUUUORDSA-N 1 0 213.277 -0.764 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905366889 637789475 /nfs/dbraw/zinc/78/94/75/637789475.db2.gz PVBCSGCKFLPRNN-GHMZBOCLSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905366890 637789410 /nfs/dbraw/zinc/78/94/10/637789410.db2.gz PVBCSGCKFLPRNN-MNOVXSKESA-N 1 0 227.304 -0.374 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905366891 637790181 /nfs/dbraw/zinc/79/01/81/637790181.db2.gz PVBCSGCKFLPRNN-QWRGUYRKSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905366892 637789860 /nfs/dbraw/zinc/78/98/60/637789860.db2.gz PVBCSGCKFLPRNN-WDEREUQCSA-N 1 0 227.304 -0.374 20 30 BBEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905397011 637808598 /nfs/dbraw/zinc/80/85/98/637808598.db2.gz CMTDCXLWAMBTMG-GHMZBOCLSA-N 1 0 227.304 -0.110 20 30 BBEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905397012 637808365 /nfs/dbraw/zinc/80/83/65/637808365.db2.gz CMTDCXLWAMBTMG-MNOVXSKESA-N 1 0 227.304 -0.110 20 30 BBEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905397013 637807737 /nfs/dbraw/zinc/80/77/37/637807737.db2.gz CMTDCXLWAMBTMG-QWRGUYRKSA-N 1 0 227.304 -0.110 20 30 BBEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905397014 637807690 /nfs/dbraw/zinc/80/76/90/637807690.db2.gz CMTDCXLWAMBTMG-WDEREUQCSA-N 1 0 227.304 -0.110 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCN1CC ZINC000905441679 637815793 /nfs/dbraw/zinc/81/57/93/637815793.db2.gz LOYHDLVRNYYXHP-LLVKDONJSA-N 1 0 223.320 -0.190 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCN1CC ZINC000905441680 637815705 /nfs/dbraw/zinc/81/57/05/637815705.db2.gz LOYHDLVRNYYXHP-NSHDSACASA-N 1 0 223.320 -0.190 20 30 BBEDRO C[N@H+](CCNCCC#N)CCOCCO ZINC000905443285 637815690 /nfs/dbraw/zinc/81/56/90/637815690.db2.gz YTOQRWZRYGNKJJ-UHFFFAOYSA-N 1 0 215.297 -0.570 20 30 BBEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)COC ZINC000905452702 637810186 /nfs/dbraw/zinc/81/01/86/637810186.db2.gz ONGZNTVEPCIQIX-NXEZZACHSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)COC ZINC000905452703 637809863 /nfs/dbraw/zinc/80/98/63/637809863.db2.gz ONGZNTVEPCIQIX-UWVGGRQHSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)COC ZINC000905452704 637809679 /nfs/dbraw/zinc/80/96/79/637809679.db2.gz ONGZNTVEPCIQIX-VHSXEESVSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)COC ZINC000905452705 637810487 /nfs/dbraw/zinc/81/04/87/637810487.db2.gz ONGZNTVEPCIQIX-ZJUUUORDSA-N 1 0 203.282 -0.090 20 30 BBEDRO C=C(C)C[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC000905453069 637811763 /nfs/dbraw/zinc/81/17/63/637811763.db2.gz QVYBPCKHKBJKMJ-SECBINFHSA-N 1 0 221.322 -0.052 20 30 BBEDRO C=C(C)C[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC000905453070 637811705 /nfs/dbraw/zinc/81/17/05/637811705.db2.gz QVYBPCKHKBJKMJ-VIFPVBQESA-N 1 0 221.322 -0.052 20 30 BBEDRO C#CCN1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905458576 637822922 /nfs/dbraw/zinc/82/29/22/637822922.db2.gz AIDOBHILPVIKMB-JTQLQIEISA-N 1 0 211.265 -0.050 20 30 BBEDRO C#CCN1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905458577 637823349 /nfs/dbraw/zinc/82/33/49/637823349.db2.gz AIDOBHILPVIKMB-SNVBAGLBSA-N 1 0 211.265 -0.050 20 30 BBEDRO C#CCN1CCC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000905459630 637822787 /nfs/dbraw/zinc/82/27/87/637822787.db2.gz HQWRXXZWAJYUEN-LLVKDONJSA-N 1 0 244.360 -0.282 20 30 BBEDRO C#CCN1CCC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000905459631 637823461 /nfs/dbraw/zinc/82/34/61/637823461.db2.gz HQWRXXZWAJYUEN-NSHDSACASA-N 1 0 244.360 -0.282 20 30 BBEDRO C#CCN1CCC[C@H]([NH2+]CCC(N)=O)C1 ZINC000905459921 637823059 /nfs/dbraw/zinc/82/30/59/637823059.db2.gz ISGILCQNPADDAM-JTQLQIEISA-N 1 0 209.293 -0.451 20 30 BBEDRO C#CCN1CCC[C@@H]([NH2+]CCC(N)=O)C1 ZINC000905459925 637823117 /nfs/dbraw/zinc/82/31/17/637823117.db2.gz ISGILCQNPADDAM-SNVBAGLBSA-N 1 0 209.293 -0.451 20 30 BBEDRO C#CCN1CCC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC000905460271 637823299 /nfs/dbraw/zinc/82/32/99/637823299.db2.gz KSKFCJKXGDKFKX-NEPJUHHUSA-N 1 0 226.320 -0.319 20 30 BBEDRO C#CCN1CCC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000905460273 637823140 /nfs/dbraw/zinc/82/31/40/637823140.db2.gz KSKFCJKXGDKFKX-NWDGAFQWSA-N 1 0 226.320 -0.319 20 30 BBEDRO C#CCN1CCC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC000905460274 637823124 /nfs/dbraw/zinc/82/31/24/637823124.db2.gz KSKFCJKXGDKFKX-RYUDHWBXSA-N 1 0 226.320 -0.319 20 30 BBEDRO C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC000905460275 637823685 /nfs/dbraw/zinc/82/36/85/637823685.db2.gz KSKFCJKXGDKFKX-VXGBXAGGSA-N 1 0 226.320 -0.319 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCN(CC#C)C1 ZINC000905462867 637825937 /nfs/dbraw/zinc/82/59/37/637825937.db2.gz WPPCTVXKEMOHMG-CYBMUJFWSA-N 1 0 247.342 -0.187 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCN(CC#C)C1 ZINC000905462868 637826707 /nfs/dbraw/zinc/82/67/07/637826707.db2.gz WPPCTVXKEMOHMG-ZDUSSCGKSA-N 1 0 247.342 -0.187 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905463989 637825732 /nfs/dbraw/zinc/82/57/32/637825732.db2.gz CBHRZVLVFHMSEA-CHWFTXMASA-N 1 0 242.319 -0.239 20 30 BBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905463991 637826493 /nfs/dbraw/zinc/82/64/93/637826493.db2.gz CBHRZVLVFHMSEA-DBIOUOCHSA-N 1 0 242.319 -0.239 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905463992 637826677 /nfs/dbraw/zinc/82/66/77/637826677.db2.gz CBHRZVLVFHMSEA-MMWGEVLESA-N 1 0 242.319 -0.239 20 30 BBEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000905463993 637826045 /nfs/dbraw/zinc/82/60/45/637826045.db2.gz CBHRZVLVFHMSEA-XWLWVQCSSA-N 1 0 242.319 -0.239 20 30 BBEDRO CCCn1cc(C(C)=NNC2=[NH+]CCN2)nn1 ZINC000905478387 637819188 /nfs/dbraw/zinc/81/91/88/637819188.db2.gz GWGVRJFNWMAHCY-UHFFFAOYSA-N 1 0 235.295 -0.039 20 30 BBEDRO FCCn1cc(C=NNC2=[NH+]CCN2)cn1 ZINC000905479974 637818624 /nfs/dbraw/zinc/81/86/24/637818624.db2.gz YLFLDRBYDRYKMP-UHFFFAOYSA-N 1 0 224.243 -0.265 20 30 BBEDRO CN(CCO)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905488201 637833366 /nfs/dbraw/zinc/83/33/66/637833366.db2.gz CBIJNBABZQJBGX-LLVKDONJSA-N 1 0 241.335 -0.445 20 30 BBEDRO CN(CCO)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905488209 637833817 /nfs/dbraw/zinc/83/38/17/637833817.db2.gz CBIJNBABZQJBGX-NSHDSACASA-N 1 0 241.335 -0.445 20 30 BBEDRO CN(CCO)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000905488990 637835742 /nfs/dbraw/zinc/83/57/42/637835742.db2.gz HVFXJYKXJNVNQT-LLVKDONJSA-N 1 0 243.351 -0.199 20 30 BBEDRO CN(CCO)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000905488991 637834777 /nfs/dbraw/zinc/83/47/77/637834777.db2.gz HVFXJYKXJNVNQT-NSHDSACASA-N 1 0 243.351 -0.199 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H](F)C(=O)OC ZINC000905489495 637835273 /nfs/dbraw/zinc/83/52/73/637835273.db2.gz JUIWTCMPSRORSO-QMMMGPOBSA-N 1 0 230.239 -0.773 20 30 BBEDRO C[N@H+](CCO)CCNC[C@@H](C#N)CCC#N ZINC000905491506 637837019 /nfs/dbraw/zinc/83/70/19/637837019.db2.gz WAVIJANSXRSCQW-LLVKDONJSA-N 1 0 224.308 -0.056 20 30 BBEDRO C[N@H+](CCO)CCNC[C@H](C#N)CCC#N ZINC000905491516 637836773 /nfs/dbraw/zinc/83/67/73/637836773.db2.gz WAVIJANSXRSCQW-NSHDSACASA-N 1 0 224.308 -0.056 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1C[C@H]1C(=O)OC ZINC000905493124 637836647 /nfs/dbraw/zinc/83/66/47/637836647.db2.gz RKTIXDQCVUMHKT-NXEZZACHSA-N 1 0 238.287 -0.475 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C/C=C(\C)C(=O)OC ZINC000905531822 637845373 /nfs/dbraw/zinc/84/53/73/637845373.db2.gz NDPAYYWUJFOEQU-BJMVGYQFSA-N 1 0 238.287 -0.165 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C/C=C(/C)C(=O)OC ZINC000905531825 637845279 /nfs/dbraw/zinc/84/52/79/637845279.db2.gz NDPAYYWUJFOEQU-YHYXMXQVSA-N 1 0 238.287 -0.165 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000905541138 637839152 /nfs/dbraw/zinc/83/91/52/637839152.db2.gz CNCACKUQTLSZPH-GHMZBOCLSA-N 1 0 223.320 -0.192 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000905541140 637839878 /nfs/dbraw/zinc/83/98/78/637839878.db2.gz CNCACKUQTLSZPH-MNOVXSKESA-N 1 0 223.320 -0.192 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(C)[C@H]1C ZINC000905541141 637839627 /nfs/dbraw/zinc/83/96/27/637839627.db2.gz CNCACKUQTLSZPH-QWRGUYRKSA-N 1 0 223.320 -0.192 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000905541143 637839675 /nfs/dbraw/zinc/83/96/75/637839675.db2.gz CNCACKUQTLSZPH-WDEREUQCSA-N 1 0 223.320 -0.192 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCN1C ZINC000905544956 637840603 /nfs/dbraw/zinc/84/06/03/637840603.db2.gz DJRHKTJBCYQOOU-NEPJUHHUSA-N 1 0 240.351 -0.514 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCN1C ZINC000905544957 637841028 /nfs/dbraw/zinc/84/10/28/637841028.db2.gz DJRHKTJBCYQOOU-NWDGAFQWSA-N 1 0 240.351 -0.514 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCN1C ZINC000905544958 637840390 /nfs/dbraw/zinc/84/03/90/637840390.db2.gz DJRHKTJBCYQOOU-RYUDHWBXSA-N 1 0 240.351 -0.514 20 30 BBEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCN1C ZINC000905544959 637840745 /nfs/dbraw/zinc/84/07/45/637840745.db2.gz DJRHKTJBCYQOOU-VXGBXAGGSA-N 1 0 240.351 -0.514 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCN1C ZINC000905547266 637840818 /nfs/dbraw/zinc/84/08/18/637840818.db2.gz VRIQNYSVFNAXRZ-JTQLQIEISA-N 1 0 209.293 -0.580 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCN1C ZINC000905547267 637840362 /nfs/dbraw/zinc/84/03/62/637840362.db2.gz VRIQNYSVFNAXRZ-SNVBAGLBSA-N 1 0 209.293 -0.580 20 30 BBEDRO C[C@@H]1COC[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000905554638 637846801 /nfs/dbraw/zinc/84/68/01/637846801.db2.gz YLBOPNAPBOCFFY-GRYCIOLGSA-N 1 0 241.335 -0.183 20 30 BBEDRO C[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000905554652 637847121 /nfs/dbraw/zinc/84/71/21/637847121.db2.gz YLBOPNAPBOCFFY-IJLUTSLNSA-N 1 0 241.335 -0.183 20 30 BBEDRO C[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000905554654 637847589 /nfs/dbraw/zinc/84/75/89/637847589.db2.gz YLBOPNAPBOCFFY-UTUOFQBUSA-N 1 0 241.335 -0.183 20 30 BBEDRO C[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000905554655 637847317 /nfs/dbraw/zinc/84/73/17/637847317.db2.gz YLBOPNAPBOCFFY-WOPDTQHZSA-N 1 0 241.335 -0.183 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCO[C@@H]1CCOC1 ZINC000905605120 711813003 /nfs/dbraw/zinc/81/30/03/711813003.db2.gz ABRTYUBZLRCKER-LLVKDONJSA-N 1 0 240.303 -0.479 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CCO[C@H]1CCOC1 ZINC000905605258 711813013 /nfs/dbraw/zinc/81/30/13/711813013.db2.gz ABRTYUBZLRCKER-NSHDSACASA-N 1 0 240.303 -0.479 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@H](CO)C1 ZINC000905640850 637880138 /nfs/dbraw/zinc/88/01/38/637880138.db2.gz QMKKLJASCKTRIT-MGCOHNPYSA-N 1 0 210.277 -0.514 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000905658773 637874555 /nfs/dbraw/zinc/87/45/55/637874555.db2.gz KFPFHXFSMJKMHQ-OQEOFVATSA-N 1 0 234.299 -0.109 20 30 BBEDRO C#CCNC(=O)CC[NH2+]C1CC(CCO)C1 ZINC000905672594 637884814 /nfs/dbraw/zinc/88/48/14/637884814.db2.gz ZSCQKCKIKUGBEJ-UHFFFAOYSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@@H](O)C1CC1 ZINC000905689460 637883088 /nfs/dbraw/zinc/88/30/88/637883088.db2.gz AIKZIHFDUVCTRK-LLVKDONJSA-N 1 0 224.304 -0.124 20 30 BBEDRO C#CCNC(=O)CC[NH2+]CC[C@H](O)C1CC1 ZINC000905689462 637884042 /nfs/dbraw/zinc/88/40/42/637884042.db2.gz AIKZIHFDUVCTRK-NSHDSACASA-N 1 0 224.304 -0.124 20 30 BBEDRO C[C@@H]1C[NH2+]C[C@H]1Cn1c(=O)c(C#N)cn(C)c1=O ZINC000905731413 637900883 /nfs/dbraw/zinc/90/08/83/637900883.db2.gz JLKAJDCPJYTVAH-SCZZXKLOSA-N 1 0 248.286 -0.726 20 30 BBEDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cncc(C#N)c1=O ZINC000905733775 637902404 /nfs/dbraw/zinc/90/24/04/637902404.db2.gz LAKPGDVFGGBUIR-SCZZXKLOSA-N 1 0 218.260 -0.030 20 30 BBEDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cnc(C#N)cc1=O ZINC000905734058 637902491 /nfs/dbraw/zinc/90/24/91/637902491.db2.gz HPTVKCHILWTFCJ-BDAKNGLRSA-N 1 0 218.260 -0.030 20 30 BBEDRO C#CC[N@@H+](CC)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905922075 637974694 /nfs/dbraw/zinc/97/46/94/637974694.db2.gz FUKJRQBAERAYNM-NEPJUHHUSA-N 1 0 227.304 -0.156 20 30 BBEDRO C#CC[N@@H+](CC)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905922077 637975440 /nfs/dbraw/zinc/97/54/40/637975440.db2.gz FUKJRQBAERAYNM-NWDGAFQWSA-N 1 0 227.304 -0.156 20 30 BBEDRO C#CC[N@@H+](CC)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905922079 637975564 /nfs/dbraw/zinc/97/55/64/637975564.db2.gz FUKJRQBAERAYNM-RYUDHWBXSA-N 1 0 227.304 -0.156 20 30 BBEDRO C#CC[N@@H+](CC)C[C@H](O)C[C@]1(O)CCOC1 ZINC000905922080 637975401 /nfs/dbraw/zinc/97/54/01/637975401.db2.gz FUKJRQBAERAYNM-VXGBXAGGSA-N 1 0 227.304 -0.156 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CC(COC)C1 ZINC000905970714 637986548 /nfs/dbraw/zinc/98/65/48/637986548.db2.gz JLXXACGCRIUASF-UHFFFAOYSA-N 1 0 210.277 -0.296 20 30 BBEDRO C#CCN(CC)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906394642 638154321 /nfs/dbraw/zinc/15/43/21/638154321.db2.gz KQATUWKJAZOTOS-UHFFFAOYSA-N 1 0 237.347 -0.039 20 30 BBEDRO CN(CCC#N)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906398805 638154893 /nfs/dbraw/zinc/15/48/93/638154893.db2.gz LQIAIHNFTNBGGZ-UHFFFAOYSA-N 1 0 238.335 -0.148 20 30 BBEDRO CCN(CC#N)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906400442 638156481 /nfs/dbraw/zinc/15/64/81/638156481.db2.gz MMEFDURMXCUENO-UHFFFAOYSA-N 1 0 238.335 -0.148 20 30 BBEDRO C[C@@H](C#N)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906428755 638166262 /nfs/dbraw/zinc/16/62/62/638166262.db2.gz CCSJQIXDVUOYAA-VIFPVBQESA-N 1 0 224.308 -0.492 20 30 BBEDRO C[C@@H](CC#N)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906458901 638171116 /nfs/dbraw/zinc/17/11/16/638171116.db2.gz GRLROEHIHXTARR-JTQLQIEISA-N 1 0 238.335 -0.102 20 30 BBEDRO C[C@H](CC#N)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906458902 638170839 /nfs/dbraw/zinc/17/08/39/638170839.db2.gz GRLROEHIHXTARR-SNVBAGLBSA-N 1 0 238.335 -0.102 20 30 BBEDRO CN(CC#N)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906470005 638172996 /nfs/dbraw/zinc/17/29/96/638172996.db2.gz LEKYULGTHDXKKA-UHFFFAOYSA-N 1 0 224.308 -0.538 20 30 BBEDRO CN1CC[N@H+](C)CC(C(=O)NCC#N)C1 ZINC000906478504 638176140 /nfs/dbraw/zinc/17/61/40/638176140.db2.gz CUIXVOXXOIZZJN-UHFFFAOYSA-N 1 0 210.281 -0.880 20 30 BBEDRO CN1CC[N@H+](C)CC(C(=O)N(CC#N)CC#N)C1 ZINC000906480311 638175768 /nfs/dbraw/zinc/17/57/68/638175768.db2.gz UAIZVNBMCKUTLQ-UHFFFAOYSA-N 1 0 249.318 -0.644 20 30 BBEDRO CC[C@H](C#N)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906482993 638177084 /nfs/dbraw/zinc/17/70/84/638177084.db2.gz ZRMPNPJZSLQKEF-LLVKDONJSA-N 1 0 238.335 -0.102 20 30 BBEDRO CC[C@@H](C#N)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906482994 638177419 /nfs/dbraw/zinc/17/74/19/638177419.db2.gz ZRMPNPJZSLQKEF-NSHDSACASA-N 1 0 238.335 -0.102 20 30 BBEDRO C[C@@H](C#N)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906637877 638226123 /nfs/dbraw/zinc/22/61/23/638226123.db2.gz TXWJWJXFELOSRC-JTQLQIEISA-N 1 0 238.335 -0.244 20 30 BBEDRO C[C@H](C#N)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906637878 638226475 /nfs/dbraw/zinc/22/64/75/638226475.db2.gz TXWJWJXFELOSRC-SNVBAGLBSA-N 1 0 238.335 -0.244 20 30 BBEDRO C#CCCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906691560 711814204 /nfs/dbraw/zinc/81/42/04/711814204.db2.gz LWMDETFSNPXNHS-UHFFFAOYSA-N 1 0 223.320 -0.381 20 30 BBEDRO CN1CC[N@H+](C)CC(C(=O)NC2(C#N)CC2)C1 ZINC000906710112 638234690 /nfs/dbraw/zinc/23/46/90/638234690.db2.gz MMPQHWFALAKXIV-UHFFFAOYSA-N 1 0 236.319 -0.348 20 30 BBEDRO C#CCN(CC#C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906864084 638263854 /nfs/dbraw/zinc/26/38/54/638263854.db2.gz CYWZMYVBNXRTSL-UHFFFAOYSA-N 1 0 247.342 -0.425 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(CO)CO ZINC000907288711 638340782 /nfs/dbraw/zinc/34/07/82/638340782.db2.gz UFSBPXGYUBACSH-UHFFFAOYSA-N 1 0 230.308 -0.646 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCn1ccnn1 ZINC000907303205 638344704 /nfs/dbraw/zinc/34/47/04/638344704.db2.gz MDQRNVYMHFEVGX-UHFFFAOYSA-N 1 0 237.307 -0.098 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCc1cn(C)nn1 ZINC000907306992 638336081 /nfs/dbraw/zinc/33/60/81/638336081.db2.gz AMAPWJCJPGHEFZ-UHFFFAOYSA-N 1 0 237.307 -0.061 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCC#N ZINC000907321046 638353958 /nfs/dbraw/zinc/35/39/58/638353958.db2.gz OCSAXOXNYDNERK-GXSJLCMTSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCC#N ZINC000907321060 638353739 /nfs/dbraw/zinc/35/37/39/638353739.db2.gz OCSAXOXNYDNERK-KOLCDFICSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCC#N ZINC000907321062 638355474 /nfs/dbraw/zinc/35/54/74/638355474.db2.gz OCSAXOXNYDNERK-MWLCHTKSSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCC#N ZINC000907321064 638354821 /nfs/dbraw/zinc/35/48/21/638354821.db2.gz OCSAXOXNYDNERK-ONGXEEELSA-N 1 0 225.292 -0.139 20 30 BBEDRO CN1CC[N@H+](C)CC(C(=O)NCCCC#N)C1 ZINC000907322121 638354590 /nfs/dbraw/zinc/35/45/90/638354590.db2.gz WJHYFLONBNLBIO-UHFFFAOYSA-N 1 0 238.335 -0.100 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC(CO)C1 ZINC000907337983 638349390 /nfs/dbraw/zinc/34/93/90/638349390.db2.gz KJDALYTXYWRIMJ-UHFFFAOYSA-N 1 0 212.293 -0.055 20 30 BBEDRO C#CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC000907340161 638350831 /nfs/dbraw/zinc/35/08/31/638350831.db2.gz OPODAHPPSHFXFA-UHFFFAOYSA-N 1 0 222.288 -0.152 20 30 BBEDRO C#CCOCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907340508 638349995 /nfs/dbraw/zinc/34/99/95/638349995.db2.gz SJDBUGROAXTBNF-CMPLNLGQSA-N 1 0 240.303 -0.793 20 30 BBEDRO C#CCOCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907340535 638350976 /nfs/dbraw/zinc/35/09/76/638350976.db2.gz SJDBUGROAXTBNF-JQWIXIFHSA-N 1 0 240.303 -0.793 20 30 BBEDRO C#CCOCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907340537 638350129 /nfs/dbraw/zinc/35/01/29/638350129.db2.gz SJDBUGROAXTBNF-PWSUYJOCSA-N 1 0 240.303 -0.793 20 30 BBEDRO C#CCOCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907340538 638351160 /nfs/dbraw/zinc/35/11/60/638351160.db2.gz SJDBUGROAXTBNF-ZYHUDNBSSA-N 1 0 240.303 -0.793 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@]1(CO)CCOC1 ZINC000907356287 638359443 /nfs/dbraw/zinc/35/94/43/638359443.db2.gz KRBHSWYTLQCQOY-GFCCVEGCSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@]1(CO)CCOC1 ZINC000907356293 638359664 /nfs/dbraw/zinc/35/96/64/638359664.db2.gz KRBHSWYTLQCQOY-LBPRGKRZSA-N 1 0 242.319 -0.238 20 30 BBEDRO C=CC[C@H](CO)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907362725 638361111 /nfs/dbraw/zinc/36/11/11/638361111.db2.gz KDAKHQUQWCZUGP-CKYFFXLPSA-N 1 0 242.319 -0.505 20 30 BBEDRO C=CC[C@H](CO)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907362726 638361390 /nfs/dbraw/zinc/36/13/90/638361390.db2.gz KDAKHQUQWCZUGP-FOGDFJRCSA-N 1 0 242.319 -0.505 20 30 BBEDRO C=CC[C@H](CO)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907362727 638362269 /nfs/dbraw/zinc/36/22/69/638362269.db2.gz KDAKHQUQWCZUGP-JFGNBEQYSA-N 1 0 242.319 -0.505 20 30 BBEDRO C=CC[C@H](CO)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907362728 638361044 /nfs/dbraw/zinc/36/10/44/638361044.db2.gz KDAKHQUQWCZUGP-SCVCMEIPSA-N 1 0 242.319 -0.505 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C(=O)NC)C1 ZINC000907427744 638380202 /nfs/dbraw/zinc/38/02/02/638380202.db2.gz PHMISQUPJLAEIW-UHFFFAOYSA-N 1 0 239.319 -0.301 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NOCCO ZINC000907483117 711815603 /nfs/dbraw/zinc/81/56/03/711815603.db2.gz NBQDKQNHMRKFDQ-UHFFFAOYSA-N 1 0 202.254 -0.466 20 30 BBEDRO C#C[C@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907491391 638391217 /nfs/dbraw/zinc/39/12/17/638391217.db2.gz LRGGQPCQTGAQLV-JTQLQIEISA-N 1 0 223.320 -0.382 20 30 BBEDRO C#C[C@@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907491392 638391014 /nfs/dbraw/zinc/39/10/14/638391014.db2.gz LRGGQPCQTGAQLV-SNVBAGLBSA-N 1 0 223.320 -0.382 20 30 BBEDRO C#C[C@H](C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907491832 638391393 /nfs/dbraw/zinc/39/13/93/638391393.db2.gz NALMNHGTUSVPQW-CMPLNLGQSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#C[C@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907491833 638390786 /nfs/dbraw/zinc/39/07/86/638390786.db2.gz NALMNHGTUSVPQW-JQWIXIFHSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#C[C@@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907491834 638390993 /nfs/dbraw/zinc/39/09/93/638390993.db2.gz NALMNHGTUSVPQW-PWSUYJOCSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#C[C@@H](C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907491835 638391377 /nfs/dbraw/zinc/39/13/77/638391377.db2.gz NALMNHGTUSVPQW-ZYHUDNBSSA-N 1 0 224.304 -0.029 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](O)C[C@H]1CO ZINC000907493602 638393291 /nfs/dbraw/zinc/39/32/91/638393291.db2.gz SRYLEIWGGBOQSE-QWRGUYRKSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)C[C@H]1CO ZINC000907493787 638392739 /nfs/dbraw/zinc/39/27/39/638392739.db2.gz SRYLEIWGGBOQSE-WDEREUQCSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCc1nnnn1C ZINC000907519748 638401728 /nfs/dbraw/zinc/40/17/28/638401728.db2.gz QYIWULNKVYNKTL-UHFFFAOYSA-N 1 0 238.295 -0.666 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CC(N)=O ZINC000907680642 638444819 /nfs/dbraw/zinc/44/48/19/638444819.db2.gz VLUVLYATASAZAL-UHFFFAOYSA-N 1 0 227.308 -0.172 20 30 BBEDRO C#CCN(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907682738 638444725 /nfs/dbraw/zinc/44/47/25/638444725.db2.gz RZZFJVXIGZIGAS-GFCCVEGCSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CCN(C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907682739 638445475 /nfs/dbraw/zinc/44/54/75/638445475.db2.gz RZZFJVXIGZIGAS-LBPRGKRZSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CCN(C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907683214 638445724 /nfs/dbraw/zinc/44/57/24/638445724.db2.gz UZECFPMEVHJPFJ-UHFFFAOYSA-N 1 0 223.320 -0.429 20 30 BBEDRO C#CCN(C)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907683602 638445547 /nfs/dbraw/zinc/44/55/47/638445547.db2.gz ZRLWHNOXUAYJKG-GXSJLCMTSA-N 1 0 210.277 -0.467 20 30 BBEDRO C#CCN(C)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907683604 638445166 /nfs/dbraw/zinc/44/51/66/638445166.db2.gz ZRLWHNOXUAYJKG-KOLCDFICSA-N 1 0 210.277 -0.467 20 30 BBEDRO C#CCN(C)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907683605 638445850 /nfs/dbraw/zinc/44/58/50/638445850.db2.gz ZRLWHNOXUAYJKG-MWLCHTKSSA-N 1 0 210.277 -0.467 20 30 BBEDRO C#CCN(C)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907683607 638444574 /nfs/dbraw/zinc/44/45/74/638444574.db2.gz ZRLWHNOXUAYJKG-ONGXEEELSA-N 1 0 210.277 -0.467 20 30 BBEDRO C#C[C@H](CC)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907713302 638453853 /nfs/dbraw/zinc/45/38/53/638453853.db2.gz CNZYEIKAZKFKFE-CKYFFXLPSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@H](CC)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907713325 638453140 /nfs/dbraw/zinc/45/31/40/638453140.db2.gz CNZYEIKAZKFKFE-FOGDFJRCSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@H](CC)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907713557 638453536 /nfs/dbraw/zinc/45/35/36/638453536.db2.gz CNZYEIKAZKFKFE-JFGNBEQYSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@H](CC)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907713558 638453918 /nfs/dbraw/zinc/45/39/18/638453918.db2.gz CNZYEIKAZKFKFE-SCVCMEIPSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@@H](C)N(C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907773717 638466890 /nfs/dbraw/zinc/46/68/90/638466890.db2.gz FZYBXJQQBRVSIU-LLVKDONJSA-N 1 0 237.347 -0.040 20 30 BBEDRO C#C[C@H](C)N(C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907773718 638465980 /nfs/dbraw/zinc/46/59/80/638465980.db2.gz FZYBXJQQBRVSIU-NSHDSACASA-N 1 0 237.347 -0.040 20 30 BBEDRO CN1CC[N@H+](C)CC(C(=O)NCCC#N)C1 ZINC000907804515 638470327 /nfs/dbraw/zinc/47/03/27/638470327.db2.gz YVVKCSBXPUXCEO-UHFFFAOYSA-N 1 0 224.308 -0.490 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC#N ZINC000907804524 638469958 /nfs/dbraw/zinc/46/99/58/638469958.db2.gz ZBEVZDSUOSUQBI-PSASIEDQSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC#N ZINC000907804528 638469084 /nfs/dbraw/zinc/46/90/84/638469084.db2.gz ZBEVZDSUOSUQBI-SCZZXKLOSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC#N ZINC000907804530 638470131 /nfs/dbraw/zinc/47/01/31/638470131.db2.gz ZBEVZDSUOSUQBI-WCBMZHEXSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC#N ZINC000907804531 638469195 /nfs/dbraw/zinc/46/91/95/638469195.db2.gz ZBEVZDSUOSUQBI-WPRPVWTQSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCC#N)C1 ZINC000907804538 638469591 /nfs/dbraw/zinc/46/95/91/638469591.db2.gz ZKLLEOAFVDQTIM-LLVKDONJSA-N 1 0 225.292 -0.137 20 30 BBEDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCC#N)C1 ZINC000907804539 638470439 /nfs/dbraw/zinc/47/04/39/638470439.db2.gz ZKLLEOAFVDQTIM-NSHDSACASA-N 1 0 225.292 -0.137 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)COC ZINC000907893009 638502194 /nfs/dbraw/zinc/50/21/94/638502194.db2.gz IEOVRGKSUPWCSC-JTQLQIEISA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)COC ZINC000907893011 638501190 /nfs/dbraw/zinc/50/11/90/638501190.db2.gz IEOVRGKSUPWCSC-SNVBAGLBSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC(CC(N)=O)C1 ZINC000907910924 638508851 /nfs/dbraw/zinc/50/88/51/638508851.db2.gz AXJSLNVGJVORSV-UHFFFAOYSA-N 1 0 239.319 -0.172 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@](C)(O)CO ZINC000907916572 638511761 /nfs/dbraw/zinc/51/17/61/638511761.db2.gz CWNCWHMQOIUBLI-LLVKDONJSA-N 1 0 230.308 -0.646 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@](C)(O)CO ZINC000907916573 638512707 /nfs/dbraw/zinc/51/27/07/638512707.db2.gz CWNCWHMQOIUBLI-NSHDSACASA-N 1 0 230.308 -0.646 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(C)(C#N)C1 ZINC000907924899 638514193 /nfs/dbraw/zinc/51/41/93/638514193.db2.gz OLOPPJDGIAUYOA-BXKDBHETSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(C)(C#N)C1 ZINC000907924900 638514529 /nfs/dbraw/zinc/51/45/29/638514529.db2.gz OLOPPJDGIAUYOA-CABZTGNLSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(C)(C#N)C1 ZINC000907924902 638514594 /nfs/dbraw/zinc/51/45/94/638514594.db2.gz OLOPPJDGIAUYOA-JOYOIKCWSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(C)(C#N)C1 ZINC000907924903 638514155 /nfs/dbraw/zinc/51/41/55/638514155.db2.gz OLOPPJDGIAUYOA-SKDRFNHKSA-N 1 0 237.303 -0.186 20 30 BBEDRO C#CCN(CC#N)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907979999 638534291 /nfs/dbraw/zinc/53/42/91/638534291.db2.gz PJJQLXKPFWEKSB-CYBMUJFWSA-N 1 0 249.314 -0.181 20 30 BBEDRO C#CCN(CC#N)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907980000 638534165 /nfs/dbraw/zinc/53/41/65/638534165.db2.gz PJJQLXKPFWEKSB-ZDUSSCGKSA-N 1 0 249.314 -0.181 20 30 BBEDRO C#CCN(CC#N)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907980223 638534811 /nfs/dbraw/zinc/53/48/11/638534811.db2.gz SKHLKBWVGGPUCR-UHFFFAOYSA-N 1 0 248.330 -0.535 20 30 BBEDRO C#CCN(CC#N)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907980230 638534867 /nfs/dbraw/zinc/53/48/67/638534867.db2.gz SSFVQEAYMKAUBD-CMPLNLGQSA-N 1 0 235.287 -0.573 20 30 BBEDRO C#CCN(CC#N)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907980231 638533901 /nfs/dbraw/zinc/53/39/01/638533901.db2.gz SSFVQEAYMKAUBD-JQWIXIFHSA-N 1 0 235.287 -0.573 20 30 BBEDRO C#CCN(CC#N)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907980232 638533512 /nfs/dbraw/zinc/53/35/12/638533512.db2.gz SSFVQEAYMKAUBD-PWSUYJOCSA-N 1 0 235.287 -0.573 20 30 BBEDRO C#CCN(CC#N)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907980233 638534592 /nfs/dbraw/zinc/53/45/92/638534592.db2.gz SSFVQEAYMKAUBD-ZYHUDNBSSA-N 1 0 235.287 -0.573 20 30 BBEDRO C#CCN(CC#N)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000907980648 638534689 /nfs/dbraw/zinc/53/46/89/638534689.db2.gz WHPGQMZJBZSQNT-GFCCVEGCSA-N 1 0 247.298 -0.308 20 30 BBEDRO C#CCN(CC#N)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000907980649 638534175 /nfs/dbraw/zinc/53/41/75/638534175.db2.gz WHPGQMZJBZSQNT-LBPRGKRZSA-N 1 0 247.298 -0.308 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCOCCO ZINC000908025822 638550639 /nfs/dbraw/zinc/55/06/39/638550639.db2.gz NECVGQYTPFQNLD-UHFFFAOYSA-N 1 0 244.335 -0.038 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCC#CCO ZINC000908032768 638556826 /nfs/dbraw/zinc/55/68/26/638556826.db2.gz TXTSSZNRXGXOHQ-UHFFFAOYSA-N 1 0 210.277 -0.394 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)COC ZINC000908062165 638564380 /nfs/dbraw/zinc/56/43/80/638564380.db2.gz MYYMMIIWESNGNG-JTQLQIEISA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)COC ZINC000908062166 638564683 /nfs/dbraw/zinc/56/46/83/638564683.db2.gz MYYMMIIWESNGNG-SNVBAGLBSA-N 1 0 230.308 -0.382 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)O[C@H]1CNOC1 ZINC000908119071 638573378 /nfs/dbraw/zinc/57/33/78/638573378.db2.gz OMZDLEDZKCQZSL-VIFPVBQESA-N 1 0 214.265 -0.059 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCC(N)=O ZINC000908169942 638585499 /nfs/dbraw/zinc/58/54/99/638585499.db2.gz FDFHNEHLHSEEII-UHFFFAOYSA-N 1 0 227.308 -0.172 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCc1cnn(C)n1 ZINC000908185689 638596288 /nfs/dbraw/zinc/59/62/88/638596288.db2.gz SQTUSCWYHJNKGD-UHFFFAOYSA-N 1 0 237.307 -0.061 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908200871 638609260 /nfs/dbraw/zinc/60/92/60/638609260.db2.gz BLPGMEGIJDTYPL-NXEZZACHSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908200872 638608525 /nfs/dbraw/zinc/60/85/25/638608525.db2.gz BLPGMEGIJDTYPL-UWVGGRQHSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@@H](O)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908200873 638610349 /nfs/dbraw/zinc/61/03/49/638610349.db2.gz BLPGMEGIJDTYPL-VHSXEESVSA-N 1 0 228.292 -0.894 20 30 BBEDRO C=C[C@H](O)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908200874 638609711 /nfs/dbraw/zinc/60/97/11/638609711.db2.gz BLPGMEGIJDTYPL-ZJUUUORDSA-N 1 0 228.292 -0.894 20 30 BBEDRO O=C(C#CC1CC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908201341 638609747 /nfs/dbraw/zinc/60/97/47/638609747.db2.gz FBVPIXIDEJYFEO-GFCCVEGCSA-N 1 0 236.315 -0.027 20 30 BBEDRO O=C(C#CC1CC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908201343 638609613 /nfs/dbraw/zinc/60/96/13/638609613.db2.gz FBVPIXIDEJYFEO-LBPRGKRZSA-N 1 0 236.315 -0.027 20 30 BBEDRO C#CCSCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000908202786 638610265 /nfs/dbraw/zinc/61/02/65/638610265.db2.gz XCDIBLRZHMVTPY-SECBINFHSA-N 1 0 230.333 -0.609 20 30 BBEDRO C#CCSCC(=O)N[C@H](CO)C[NH+](C)C ZINC000908202788 638610518 /nfs/dbraw/zinc/61/05/18/638610518.db2.gz XCDIBLRZHMVTPY-VIFPVBQESA-N 1 0 230.333 -0.609 20 30 BBEDRO N#CCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908205085 638608795 /nfs/dbraw/zinc/60/87/95/638608795.db2.gz VDWYLHAUWWZDPD-SECBINFHSA-N 1 0 211.265 -0.527 20 30 BBEDRO N#CCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908205086 638609416 /nfs/dbraw/zinc/60/94/16/638609416.db2.gz VDWYLHAUWWZDPD-VIFPVBQESA-N 1 0 211.265 -0.527 20 30 BBEDRO CC#CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908206326 638609786 /nfs/dbraw/zinc/60/97/86/638609786.db2.gz ZFXHCYRSOPDGEZ-JTQLQIEISA-N 1 0 210.277 -0.417 20 30 BBEDRO CC#CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908206327 638609104 /nfs/dbraw/zinc/60/91/04/638609104.db2.gz ZFXHCYRSOPDGEZ-SNVBAGLBSA-N 1 0 210.277 -0.417 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCc1cnnn1C ZINC000908221241 638602842 /nfs/dbraw/zinc/60/28/42/638602842.db2.gz DXENTUAMKHCNEU-UHFFFAOYSA-N 1 0 237.307 -0.061 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)Nc1nnc2[nH]cnn12 ZINC000908266905 638629203 /nfs/dbraw/zinc/62/92/03/638629203.db2.gz NXUPUFAVCSAEAA-UHFFFAOYSA-N 1 0 249.278 -0.101 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1COC(=O)C1 ZINC000908315563 638635884 /nfs/dbraw/zinc/63/58/84/638635884.db2.gz LBLCMWCNZPDTIB-VIFPVBQESA-N 1 0 226.276 -0.074 20 30 BBEDRO C#CC[C@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000908317071 638638009 /nfs/dbraw/zinc/63/80/09/638638009.db2.gz ZPJLUDBYSIUDAJ-LLVKDONJSA-N 1 0 224.304 -0.005 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000908317072 638638532 /nfs/dbraw/zinc/63/85/32/638638532.db2.gz ZPJLUDBYSIUDAJ-NSHDSACASA-N 1 0 224.304 -0.005 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CC)C(N)=O ZINC000908319723 638642679 /nfs/dbraw/zinc/64/26/79/638642679.db2.gz VWGIUQQGSVOCSK-SECBINFHSA-N 1 0 227.308 -0.126 20 30 BBEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC(C#N)C2)C1 ZINC000908397290 638694454 /nfs/dbraw/zinc/69/44/54/638694454.db2.gz APCPQNWGIFIBQU-GFCCVEGCSA-N 1 0 237.303 -0.185 20 30 BBEDRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC(C#N)C2)C1 ZINC000908397291 638694042 /nfs/dbraw/zinc/69/40/42/638694042.db2.gz APCPQNWGIFIBQU-LBPRGKRZSA-N 1 0 237.303 -0.185 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(C#N)C1 ZINC000908399270 638696036 /nfs/dbraw/zinc/69/60/36/638696036.db2.gz ORJCSAJYONACIK-GXSJLCMTSA-N 1 0 223.276 -0.577 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(C#N)C1 ZINC000908399271 638696282 /nfs/dbraw/zinc/69/62/82/638696282.db2.gz ORJCSAJYONACIK-KOLCDFICSA-N 1 0 223.276 -0.577 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(C#N)C1 ZINC000908399272 638696110 /nfs/dbraw/zinc/69/61/10/638696110.db2.gz ORJCSAJYONACIK-MWLCHTKSSA-N 1 0 223.276 -0.577 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(C#N)C1 ZINC000908399273 638695708 /nfs/dbraw/zinc/69/57/08/638695708.db2.gz ORJCSAJYONACIK-ONGXEEELSA-N 1 0 223.276 -0.577 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCC(C)(CO)CO ZINC000908405487 638697095 /nfs/dbraw/zinc/69/70/95/638697095.db2.gz HFSBLULUDTWARW-UHFFFAOYSA-N 1 0 244.335 -0.399 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)CC(=O)OC ZINC000908435376 638710109 /nfs/dbraw/zinc/71/01/09/638710109.db2.gz GFBADRJXDPCJGW-UHFFFAOYSA-N 1 0 226.276 -0.379 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H](O)C(C)(C)O ZINC000908435827 638712401 /nfs/dbraw/zinc/71/24/01/638712401.db2.gz KIIUURXVRSQAIC-JTQLQIEISA-N 1 0 242.319 -0.811 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H](O)C(C)(C)O ZINC000908435873 638714546 /nfs/dbraw/zinc/71/45/46/638714546.db2.gz KIIUURXVRSQAIC-SNVBAGLBSA-N 1 0 242.319 -0.811 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](O)/C=C\C ZINC000908436518 638714129 /nfs/dbraw/zinc/71/41/29/638714129.db2.gz RYGREYCGAJVLBA-IBHLPDHGSA-N 1 0 224.304 -0.005 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](O)/C=C\C ZINC000908436520 638714078 /nfs/dbraw/zinc/71/40/78/638714078.db2.gz RYGREYCGAJVLBA-MEQVVJDKSA-N 1 0 224.304 -0.005 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](O)/C=C/C ZINC000908436523 638714639 /nfs/dbraw/zinc/71/46/39/638714639.db2.gz RYGREYCGAJVLBA-TZOMUSMUSA-N 1 0 224.304 -0.005 20 30 BBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](O)/C=C/C ZINC000908436524 638714324 /nfs/dbraw/zinc/71/43/24/638714324.db2.gz RYGREYCGAJVLBA-ZPMKCOPCSA-N 1 0 224.304 -0.005 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000908437545 638715754 /nfs/dbraw/zinc/71/57/54/638715754.db2.gz QLYUOXMRUGBHEM-VHSXEESVSA-N 1 0 237.303 -0.821 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)CCC(N)=O ZINC000908437766 638716946 /nfs/dbraw/zinc/71/69/46/638716946.db2.gz SNIDMMOMOFVSQJ-UHFFFAOYSA-N 1 0 225.292 -0.677 20 30 BBEDRO CC#CCN(C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908450365 638715400 /nfs/dbraw/zinc/71/54/00/638715400.db2.gz IKJJECBCPPSOSI-UHFFFAOYSA-N 1 0 237.347 -0.039 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC(O)(CO)C1 ZINC000908478859 638748073 /nfs/dbraw/zinc/74/80/73/638748073.db2.gz VPDDYFONPIGIMQ-UHFFFAOYSA-N 1 0 228.292 -0.940 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CCOCCN1 ZINC000908529023 638998806 /nfs/dbraw/zinc/99/88/06/638998806.db2.gz HYSYNQXVJUKOPZ-UHFFFAOYSA-N 1 0 227.308 -0.142 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC(O)(COC)C1 ZINC000908569452 639018959 /nfs/dbraw/zinc/01/89/59/639018959.db2.gz HKMDSJMYIZLMBB-UHFFFAOYSA-N 1 0 242.319 -0.286 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000908618665 639035521 /nfs/dbraw/zinc/03/55/21/639035521.db2.gz GCQPSKGNIRMCCA-JTQLQIEISA-N 1 0 210.277 -0.395 20 30 BBEDRO C#C[C@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000908618666 639036033 /nfs/dbraw/zinc/03/60/33/639036033.db2.gz GCQPSKGNIRMCCA-SNVBAGLBSA-N 1 0 210.277 -0.395 20 30 BBEDRO C#C[C@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000908621592 639037225 /nfs/dbraw/zinc/03/72/25/639037225.db2.gz QTVFYUVQCNXUOT-SECBINFHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#C[C@@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000908621594 639037825 /nfs/dbraw/zinc/03/78/25/639037825.db2.gz QTVFYUVQCNXUOT-VIFPVBQESA-N 1 0 210.277 -0.419 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000908622774 639039393 /nfs/dbraw/zinc/03/93/93/639039393.db2.gz YFDSYHUMKDAZBV-NXEZZACHSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000908622776 639039360 /nfs/dbraw/zinc/03/93/60/639039360.db2.gz YFDSYHUMKDAZBV-UWVGGRQHSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@@H](CO)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000908622778 639038716 /nfs/dbraw/zinc/03/87/16/639038716.db2.gz YFDSYHUMKDAZBV-VHSXEESVSA-N 1 0 224.304 -0.031 20 30 BBEDRO C#C[C@H](CO)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000908622779 639039574 /nfs/dbraw/zinc/03/95/74/639039574.db2.gz YFDSYHUMKDAZBV-ZJUUUORDSA-N 1 0 224.304 -0.031 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)Nn1ccnn1 ZINC000908822263 639068018 /nfs/dbraw/zinc/06/80/18/639068018.db2.gz VTSWPDTYFYHQIJ-UHFFFAOYSA-N 1 0 209.253 -0.144 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)Nn2ccnn2)CC1 ZINC000908843697 639078667 /nfs/dbraw/zinc/07/86/67/639078667.db2.gz ZJBZZZYPUQASCP-UHFFFAOYSA-N 1 0 233.275 -0.307 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC(=O)N[C@@H](C)C1 ZINC000909018753 639125971 /nfs/dbraw/zinc/12/59/71/639125971.db2.gz ZQABEHYYMMYCJS-JTQLQIEISA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC(=O)N[C@H](C)C1 ZINC000909018754 639126160 /nfs/dbraw/zinc/12/61/60/639126160.db2.gz ZQABEHYYMMYCJS-SNVBAGLBSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1C(N)=O ZINC000909050726 639132291 /nfs/dbraw/zinc/13/22/91/639132291.db2.gz QKPKXWBJOMGHLC-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](O)[C@H](OC)C1 ZINC000909216629 639169011 /nfs/dbraw/zinc/16/90/11/639169011.db2.gz HCMQMEABMCWRLK-GHMZBOCLSA-N 1 0 242.319 -0.288 20 30 BBEDRO C[N@H+](CC(=O)N[C@H](C#N)CO)C1CCC1 ZINC000909305458 639201872 /nfs/dbraw/zinc/20/18/72/639201872.db2.gz MLHUTJKTMQVAFB-MRVPVSSYSA-N 1 0 211.265 -0.529 20 30 BBEDRO C[N@H+](CC(=O)N[C@@H](C#N)CO)C1CCC1 ZINC000909305464 639201265 /nfs/dbraw/zinc/20/12/65/639201265.db2.gz MLHUTJKTMQVAFB-QMMMGPOBSA-N 1 0 211.265 -0.529 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCNC(=O)OC ZINC000909376229 634545795 /nfs/dbraw/zinc/54/57/95/634545795.db2.gz CQOQNTGSSVMBRX-UHFFFAOYSA-N 1 0 243.307 -0.034 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@](C)(CO)C(=O)OC ZINC000909589118 636291818 /nfs/dbraw/zinc/29/18/18/636291818.db2.gz MCVDJCDAJDKZHE-LLVKDONJSA-N 1 0 244.291 -0.856 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@@](C)(CO)C(=O)OC ZINC000909589119 636290704 /nfs/dbraw/zinc/29/07/04/636290704.db2.gz MCVDJCDAJDKZHE-NSHDSACASA-N 1 0 244.291 -0.856 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000909884206 639253811 /nfs/dbraw/zinc/25/38/11/639253811.db2.gz KUWFBUZZXMJMMY-GHMZBOCLSA-N 1 0 242.319 -0.694 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000909884207 639253011 /nfs/dbraw/zinc/25/30/11/639253011.db2.gz KUWFBUZZXMJMMY-MNOVXSKESA-N 1 0 242.319 -0.694 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000909884208 639254099 /nfs/dbraw/zinc/25/40/99/639254099.db2.gz KUWFBUZZXMJMMY-QWRGUYRKSA-N 1 0 242.319 -0.694 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000909884209 639253513 /nfs/dbraw/zinc/25/35/13/639253513.db2.gz KUWFBUZZXMJMMY-WDEREUQCSA-N 1 0 242.319 -0.694 20 30 BBEDRO C#CC[C@@H](NC(=O)Cc1c[nH]cn1)C(=O)OC ZINC000909889828 639255896 /nfs/dbraw/zinc/25/58/96/639255896.db2.gz NVOIIIZGJQKSEF-SECBINFHSA-N 1 0 235.243 -0.367 20 30 BBEDRO C#CC[C@H](NC(=O)Cc1c[nH]cn1)C(=O)OC ZINC000909889844 639254866 /nfs/dbraw/zinc/25/48/66/639254866.db2.gz NVOIIIZGJQKSEF-VIFPVBQESA-N 1 0 235.243 -0.367 20 30 BBEDRO C#C[C@@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000909922890 639289457 /nfs/dbraw/zinc/28/94/57/639289457.db2.gz LFOHDDSLZRJLQD-LLVKDONJSA-N 1 0 234.299 -0.057 20 30 BBEDRO C#C[C@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000909922898 639287525 /nfs/dbraw/zinc/28/75/25/639287525.db2.gz LFOHDDSLZRJLQD-NSHDSACASA-N 1 0 234.299 -0.057 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1COCO1 ZINC000910295654 639412780 /nfs/dbraw/zinc/41/27/80/639412780.db2.gz HJWLKOUUDYVOOX-JTQLQIEISA-N 1 0 228.292 -0.017 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1COCO1 ZINC000910295655 639413872 /nfs/dbraw/zinc/41/38/72/639413872.db2.gz HJWLKOUUDYVOOX-SNVBAGLBSA-N 1 0 228.292 -0.017 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCCNC(=O)NC ZINC000910888002 639522245 /nfs/dbraw/zinc/52/22/45/639522245.db2.gz JJQQUTFDGPKCSZ-UHFFFAOYSA-N 1 0 242.323 -0.461 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCNC(=O)NC ZINC000910891307 639526497 /nfs/dbraw/zinc/52/64/97/639526497.db2.gz ZAKSRQGPPSJXGG-UHFFFAOYSA-N 1 0 228.296 -0.851 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911039411 639571049 /nfs/dbraw/zinc/57/10/49/639571049.db2.gz JHMRMAYRQLWSSM-NXEZZACHSA-N 1 0 239.319 -0.207 20 30 BBEDRO C=CCCCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911042985 639570538 /nfs/dbraw/zinc/57/05/38/639570538.db2.gz QRODROAPHWNYSX-MGCOHNPYSA-N 1 0 239.319 -0.078 20 30 BBEDRO C=CCCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911043028 639570266 /nfs/dbraw/zinc/57/02/66/639570266.db2.gz ROSZFSYBALXUSL-UHFFFAOYSA-N 1 0 225.292 -0.324 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)N(C)OC ZINC000911191305 639592776 /nfs/dbraw/zinc/59/27/76/639592776.db2.gz DEJNBNOWHFKXQQ-UHFFFAOYSA-N 1 0 243.307 -0.370 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370245 639628758 /nfs/dbraw/zinc/62/87/58/639628758.db2.gz TVIBEBQGDDHOCQ-NXEZZACHSA-N 1 0 239.319 -0.255 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911370266 639627679 /nfs/dbraw/zinc/62/76/79/639627679.db2.gz UTRNFNGZNYTADS-RKDXNWHRSA-N 1 0 225.292 -0.645 20 30 BBEDRO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911381164 639624727 /nfs/dbraw/zinc/62/47/27/639624727.db2.gz SBXDPHJRFQHKHJ-ZJUUUORDSA-N 1 0 239.319 -0.398 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C)(C(N)=O)C1 ZINC000911484338 639655705 /nfs/dbraw/zinc/65/57/05/639655705.db2.gz MODUUNFRJIMORC-UHFFFAOYSA-N 1 0 239.319 -0.172 20 30 BBEDRO C=CCN(C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911507518 639658256 /nfs/dbraw/zinc/65/82/56/639658256.db2.gz YIHZHKUPVWOGKT-UHFFFAOYSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527339 639662494 /nfs/dbraw/zinc/66/24/94/639662494.db2.gz CZDPYRWQDAJKGN-SECBINFHSA-N 1 0 239.319 -0.255 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527340 639662415 /nfs/dbraw/zinc/66/24/15/639662415.db2.gz CZDPYRWQDAJKGN-VIFPVBQESA-N 1 0 239.319 -0.255 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911542937 639662115 /nfs/dbraw/zinc/66/21/15/639662115.db2.gz RGEIWLVZOFGQHR-IVZWLZJFSA-N 1 0 237.303 -0.360 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911550333 639664470 /nfs/dbraw/zinc/66/44/70/639664470.db2.gz RGEIWLVZOFGQHR-KXUCPTDWSA-N 1 0 237.303 -0.360 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCOC1=O ZINC000911562925 639666641 /nfs/dbraw/zinc/66/66/41/639666641.db2.gz WCYYFISHDYEQDH-VIFPVBQESA-N 1 0 226.276 -0.074 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000911631163 639691661 /nfs/dbraw/zinc/69/16/61/639691661.db2.gz ZZXONJBYMNZCGY-GFCCVEGCSA-N 1 0 241.335 -0.665 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000911631164 639691759 /nfs/dbraw/zinc/69/17/59/639691759.db2.gz ZZXONJBYMNZCGY-LBPRGKRZSA-N 1 0 241.335 -0.665 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)Nc1ccn(C)c(=O)n1 ZINC000911665962 639695202 /nfs/dbraw/zinc/69/52/02/639695202.db2.gz WASGCTGQCDCUPF-UHFFFAOYSA-N 1 0 236.275 -0.329 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774899 639795753 /nfs/dbraw/zinc/79/57/53/639795753.db2.gz MSQCMFOLZOIBAD-GFCCVEGCSA-N 1 0 241.335 -0.713 20 30 BBEDRO C=C[C@](C)(O)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774900 639795872 /nfs/dbraw/zinc/79/58/72/639795872.db2.gz MSQCMFOLZOIBAD-LBPRGKRZSA-N 1 0 241.335 -0.713 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000911776212 639796540 /nfs/dbraw/zinc/79/65/40/639796540.db2.gz ZBWLEKNEKQXDJX-GXSJLCMTSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000911776213 639795888 /nfs/dbraw/zinc/79/58/88/639795888.db2.gz ZBWLEKNEKQXDJX-KOLCDFICSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000911776214 639795769 /nfs/dbraw/zinc/79/57/69/639795769.db2.gz ZBWLEKNEKQXDJX-MWLCHTKSSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000911776215 639796592 /nfs/dbraw/zinc/79/65/92/639796592.db2.gz ZBWLEKNEKQXDJX-ONGXEEELSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C[C@@H](O)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000911829443 639841104 /nfs/dbraw/zinc/84/11/04/639841104.db2.gz NDSDDZQPOCDVCK-OUAUKWLOSA-N 1 0 224.304 -0.057 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000911878778 639864865 /nfs/dbraw/zinc/86/48/65/639864865.db2.gz ADPJUAJJTCMCFP-KKZNHRDASA-N 1 0 228.292 -0.502 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000911878779 639865332 /nfs/dbraw/zinc/86/53/32/639865332.db2.gz ADPJUAJJTCMCFP-NGZCFLSTSA-N 1 0 228.292 -0.502 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000911878780 639865599 /nfs/dbraw/zinc/86/55/99/639865599.db2.gz ADPJUAJJTCMCFP-QXEWZRGKSA-N 1 0 228.292 -0.502 20 30 BBEDRO C=C[C@](C)(O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000911878781 639865124 /nfs/dbraw/zinc/86/51/24/639865124.db2.gz ADPJUAJJTCMCFP-YWVKMMECSA-N 1 0 228.292 -0.502 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000911890309 639870516 /nfs/dbraw/zinc/87/05/16/639870516.db2.gz ZHMINUFWQDAREJ-AOOOYVTPSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000911925594 639882950 /nfs/dbraw/zinc/88/29/50/639882950.db2.gz BBUYUQNNJZIIIB-JTQLQIEISA-N 1 0 227.308 -0.222 20 30 BBEDRO C=CCNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000911925595 639882307 /nfs/dbraw/zinc/88/23/07/639882307.db2.gz BBUYUQNNJZIIIB-SNVBAGLBSA-N 1 0 227.308 -0.222 20 30 BBEDRO C=CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911926140 639883049 /nfs/dbraw/zinc/88/30/49/639883049.db2.gz QRUOIFJOOVJZFE-SECBINFHSA-N 1 0 225.292 -0.514 20 30 BBEDRO C=CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911926141 639882112 /nfs/dbraw/zinc/88/21/12/639882112.db2.gz QRUOIFJOOVJZFE-VIFPVBQESA-N 1 0 225.292 -0.514 20 30 BBEDRO C=CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911929609 639896720 /nfs/dbraw/zinc/89/67/20/639896720.db2.gz ZGBKRMVLVQPDEP-KOLCDFICSA-N 1 0 210.277 -0.085 20 30 BBEDRO C=C[C@@H](O)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911941712 639890686 /nfs/dbraw/zinc/89/06/86/639890686.db2.gz HGTPKIOOAXLSDU-LLVKDONJSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@H](O)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911941714 639891352 /nfs/dbraw/zinc/89/13/52/639891352.db2.gz HGTPKIOOAXLSDU-NSHDSACASA-N 1 0 242.319 -0.552 20 30 BBEDRO CON=CC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911943259 639891381 /nfs/dbraw/zinc/89/13/81/639891381.db2.gz KYIUMMSGQMRDRH-UHFFFAOYSA-N 1 0 243.307 -0.466 20 30 BBEDRO CC#CC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911943983 639890891 /nfs/dbraw/zinc/89/08/91/639890891.db2.gz SWRZCUNWRKCVRA-UHFFFAOYSA-N 1 0 224.304 -0.075 20 30 BBEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCNC(=O)C1 ZINC000912001325 639918131 /nfs/dbraw/zinc/91/81/31/639918131.db2.gz FQPFCCOTPIWBSY-SECBINFHSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCNC(=O)C1 ZINC000912001326 639918755 /nfs/dbraw/zinc/91/87/55/639918755.db2.gz FQPFCCOTPIWBSY-VIFPVBQESA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CCCC[C@H]([NH3+])C(=O)NCCNC(C)=O ZINC000912030139 639922013 /nfs/dbraw/zinc/92/20/13/639922013.db2.gz USAIIXKJRGVEDD-JTQLQIEISA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCNC(C)=O ZINC000912030140 639923016 /nfs/dbraw/zinc/92/30/16/639923016.db2.gz USAIIXKJRGVEDD-SNVBAGLBSA-N 1 0 227.308 -0.078 20 30 BBEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC(=O)NC ZINC000912075995 639948083 /nfs/dbraw/zinc/94/80/83/639948083.db2.gz QJZCYKZSLLGTSE-MRVPVSSYSA-N 1 0 213.281 -0.468 20 30 BBEDRO C=CCCC[C@H]([NH3+])C(=O)NCC(=O)NC ZINC000912076002 639947975 /nfs/dbraw/zinc/94/79/75/639947975.db2.gz QJZCYKZSLLGTSE-QMMMGPOBSA-N 1 0 213.281 -0.468 20 30 BBEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC(=O)N(C)C ZINC000912080396 639950041 /nfs/dbraw/zinc/95/00/41/639950041.db2.gz ZEZRHJBUWKQXEK-SECBINFHSA-N 1 0 227.308 -0.126 20 30 BBEDRO C=CCCC[C@H]([NH3+])C(=O)NCC(=O)N(C)C ZINC000912080397 639948917 /nfs/dbraw/zinc/94/89/17/639948917.db2.gz ZEZRHJBUWKQXEK-VIFPVBQESA-N 1 0 227.308 -0.126 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCN(C)OC ZINC000912162506 639983194 /nfs/dbraw/zinc/98/31/94/639983194.db2.gz HQAKXMYXJLRLHL-UHFFFAOYSA-N 1 0 215.297 -0.286 20 30 BBEDRO C#CC[NH2+]CC(=O)NCCNC(=O)c1ccco1 ZINC000912219598 640001403 /nfs/dbraw/zinc/00/14/03/640001403.db2.gz XVCLIRAMDVNBAH-UHFFFAOYSA-N 1 0 249.270 -0.652 20 30 BBEDRO C#CC[NH2+]CC(=O)NC1(C(=O)OC)CCCC1 ZINC000912225065 640000810 /nfs/dbraw/zinc/00/08/10/640000810.db2.gz IIGPWGHXPWSMEJ-UHFFFAOYSA-N 1 0 238.287 -0.189 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1[C@@H](CO)CC[C@@H]1CO ZINC000912228885 640002841 /nfs/dbraw/zinc/00/28/41/640002841.db2.gz FVXHXARFZSZUJJ-GHMZBOCLSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC1N=NC(=O)N1C ZINC000912240451 639998890 /nfs/dbraw/zinc/99/88/90/639998890.db2.gz IUTUGLHOHOMVCT-UHFFFAOYSA-N 1 0 239.279 -0.745 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCn1ccnn1 ZINC000912251151 640013384 /nfs/dbraw/zinc/01/33/84/640013384.db2.gz MXDGCXSAEOQHAW-UHFFFAOYSA-N 1 0 223.280 -0.488 20 30 BBEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCC(N)=O ZINC000912258672 640007028 /nfs/dbraw/zinc/00/70/28/640007028.db2.gz KDSBGMQPDSACPN-MRVPVSSYSA-N 1 0 213.281 -0.338 20 30 BBEDRO C=CCCC[C@H]([NH3+])C(=O)NCCC(N)=O ZINC000912258674 640007946 /nfs/dbraw/zinc/00/79/46/640007946.db2.gz KDSBGMQPDSACPN-QMMMGPOBSA-N 1 0 213.281 -0.338 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCNC1=O ZINC000912279127 640013185 /nfs/dbraw/zinc/01/31/85/640013185.db2.gz QJMXQHFTCFVURP-VIFPVBQESA-N 1 0 225.292 -0.501 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912323134 640028676 /nfs/dbraw/zinc/02/86/76/640028676.db2.gz XMJPRRFNTRNLME-JTQLQIEISA-N 1 0 210.277 -0.160 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912323135 640029447 /nfs/dbraw/zinc/02/94/47/640029447.db2.gz XMJPRRFNTRNLME-SNVBAGLBSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=C1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000912445710 640076539 /nfs/dbraw/zinc/07/65/39/640076539.db2.gz CTKJJWPSJHUFRV-UHFFFAOYSA-N 1 0 223.320 -0.122 20 30 BBEDRO C#CCONC(=O)c1ccnn1CC[NH+](C)C ZINC000912450120 640080637 /nfs/dbraw/zinc/08/06/37/640080637.db2.gz HTMQAWKPJZPFGC-UHFFFAOYSA-N 1 0 236.275 -0.261 20 30 BBEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC(=O)OC ZINC000912451045 640079576 /nfs/dbraw/zinc/07/95/76/640079576.db2.gz AVGFHVUUBODGGI-MRVPVSSYSA-N 1 0 214.265 -0.041 20 30 BBEDRO C=CCCC[C@H]([NH3+])C(=O)NCC(=O)OC ZINC000912451046 640080158 /nfs/dbraw/zinc/08/01/58/640080158.db2.gz AVGFHVUUBODGGI-QMMMGPOBSA-N 1 0 214.265 -0.041 20 30 BBEDRO C#CC[NH2+]CC(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000912476200 640092025 /nfs/dbraw/zinc/09/20/25/640092025.db2.gz LLAAGHCOZJCZON-JTQLQIEISA-N 1 0 232.287 -0.394 20 30 BBEDRO C#CC[NH2+]CC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000912476202 640090757 /nfs/dbraw/zinc/09/07/57/640090757.db2.gz LLAAGHCOZJCZON-SNVBAGLBSA-N 1 0 232.287 -0.394 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC1=NCC(=O)N1C ZINC000912498616 640095622 /nfs/dbraw/zinc/09/56/22/640095622.db2.gz POADZAHTSWHYCJ-UHFFFAOYSA-N 1 0 238.291 -0.562 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC1=NCC(=O)N1C ZINC000912499245 640095540 /nfs/dbraw/zinc/09/55/40/640095540.db2.gz UZCQCBIZZVGDSZ-UHFFFAOYSA-N 1 0 224.264 -0.952 20 30 BBEDRO C#CCO[C@H](C)C(=O)N(C)CC[N@H+](C)CCO ZINC000912598117 640122475 /nfs/dbraw/zinc/12/24/75/640122475.db2.gz DALSTOYQATULAZ-LLVKDONJSA-N 1 0 242.319 -0.593 20 30 BBEDRO C#CCO[C@@H](C)C(=O)N(C)CC[N@H+](C)CCO ZINC000912598120 640121724 /nfs/dbraw/zinc/12/17/24/640121724.db2.gz DALSTOYQATULAZ-NSHDSACASA-N 1 0 242.319 -0.593 20 30 BBEDRO C[C@@H](CC#N)C(=O)N(C)CC[N@H+](C)CCO ZINC000912598196 640120352 /nfs/dbraw/zinc/12/03/52/640120352.db2.gz DWGGBOJPSIEGSZ-JTQLQIEISA-N 1 0 227.308 -0.081 20 30 BBEDRO C[C@H](CC#N)C(=O)N(C)CC[N@H+](C)CCO ZINC000912598197 640122334 /nfs/dbraw/zinc/12/23/34/640122334.db2.gz DWGGBOJPSIEGSZ-SNVBAGLBSA-N 1 0 227.308 -0.081 20 30 BBEDRO CN(CC[N@H+](C)CCO)C(=O)C#CC1CC1 ZINC000912598452 640121678 /nfs/dbraw/zinc/12/16/78/640121678.db2.gz FHCWHGIPAMADJU-UHFFFAOYSA-N 1 0 224.304 -0.218 20 30 BBEDRO C=C[C@@](C)(O)C(=O)N(C)CC[N@H+](C)CCO ZINC000912598473 640121584 /nfs/dbraw/zinc/12/15/84/640121584.db2.gz FMRCXZSHPCRCLF-LLVKDONJSA-N 1 0 230.308 -0.694 20 30 BBEDRO C=C[C@](C)(O)C(=O)N(C)CC[N@H+](C)CCO ZINC000912598474 640121269 /nfs/dbraw/zinc/12/12/69/640121269.db2.gz FMRCXZSHPCRCLF-NSHDSACASA-N 1 0 230.308 -0.694 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)CC[N@H+](C)CCO ZINC000912604774 640131787 /nfs/dbraw/zinc/13/17/87/640131787.db2.gz PGGMFKLXHMAGHO-UHFFFAOYSA-N 1 0 243.351 -0.513 20 30 BBEDRO C=CCOCC(=O)N(C)CC[N@H+](C)CCO ZINC000912607596 640137629 /nfs/dbraw/zinc/13/76/29/640137629.db2.gz XEKRBMCAMUIFCJ-UHFFFAOYSA-N 1 0 230.308 -0.429 20 30 BBEDRO C=CCCOCC(=O)N(C)CC[N@H+](C)CCO ZINC000912608739 640135919 /nfs/dbraw/zinc/13/59/19/640135919.db2.gz NBJNWDXMDHEDBP-UHFFFAOYSA-N 1 0 244.335 -0.038 20 30 BBEDRO C#CCOCCC(=O)N(C)CC[N@H+](C)CCO ZINC000912608783 640138241 /nfs/dbraw/zinc/13/82/41/640138241.db2.gz XUSFKGGTZNOTLB-UHFFFAOYSA-N 1 0 242.319 -0.591 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(C)c1nnn[n-]1 ZINC000912616497 640127027 /nfs/dbraw/zinc/12/70/27/640127027.db2.gz HUODWCMNSLKNTD-UHFFFAOYSA-N 1 0 224.268 -0.330 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](O)C[C@]1(C)CO ZINC000912658870 640159183 /nfs/dbraw/zinc/15/91/83/640159183.db2.gz XMOFZZKKBQIXPF-CMPLNLGQSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](O)C[C@@]1(C)CO ZINC000912658871 640159765 /nfs/dbraw/zinc/15/97/65/640159765.db2.gz XMOFZZKKBQIXPF-JQWIXIFHSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](O)C[C@@]1(C)CO ZINC000912658872 640160083 /nfs/dbraw/zinc/16/00/83/640160083.db2.gz XMOFZZKKBQIXPF-PWSUYJOCSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](O)C[C@]1(C)CO ZINC000912658873 640159569 /nfs/dbraw/zinc/15/95/69/640159569.db2.gz XMOFZZKKBQIXPF-ZYHUDNBSSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000912716800 640175354 /nfs/dbraw/zinc/17/53/54/640175354.db2.gz NFEJEOVCSMMOEY-FXPVBKGRSA-N 1 0 228.292 -0.895 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000912716804 640174592 /nfs/dbraw/zinc/17/45/92/640174592.db2.gz NFEJEOVCSMMOEY-KKZNHRDASA-N 1 0 228.292 -0.895 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000912716805 640175794 /nfs/dbraw/zinc/17/57/94/640175794.db2.gz NFEJEOVCSMMOEY-WCABBAIRSA-N 1 0 228.292 -0.895 20 30 BBEDRO C=C[C@H](CO)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000912716807 640175080 /nfs/dbraw/zinc/17/50/80/640175080.db2.gz NFEJEOVCSMMOEY-YWVKMMECSA-N 1 0 228.292 -0.895 20 30 BBEDRO C=C[C@H](CO)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000912719319 640176752 /nfs/dbraw/zinc/17/67/52/640176752.db2.gz VZROWJTZOKDGNA-PWSUYJOCSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@H](CO)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000912719320 640177783 /nfs/dbraw/zinc/17/77/83/640177783.db2.gz VZROWJTZOKDGNA-ZYHUDNBSSA-N 1 0 242.319 -0.504 20 30 BBEDRO C=C[C@H](CO)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912719361 640178011 /nfs/dbraw/zinc/17/80/11/640178011.db2.gz XCTLXTISPOUFSQ-LLVKDONJSA-N 1 0 241.335 -0.857 20 30 BBEDRO C#CCCCC(=O)N1CCN(C)C[C@@H]1CO ZINC000912738439 640185266 /nfs/dbraw/zinc/18/52/66/640185266.db2.gz FEEHMMTUZHKJQL-LLVKDONJSA-N 1 0 224.304 -0.075 20 30 BBEDRO C#CCCCC(=O)N1CCN(C)C[C@H]1CO ZINC000912738440 640186220 /nfs/dbraw/zinc/18/62/20/640186220.db2.gz FEEHMMTUZHKJQL-NSHDSACASA-N 1 0 224.304 -0.075 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC[S@](C)(=O)=NC ZINC000912787635 640202049 /nfs/dbraw/zinc/20/20/49/640202049.db2.gz CPUGQSRTTDRBCP-INIZCTEOSA-N 1 0 247.364 -0.052 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCC[S@@](C)(=O)=NC ZINC000912787636 640202489 /nfs/dbraw/zinc/20/24/89/640202489.db2.gz CPUGQSRTTDRBCP-MRXNPFEDSA-N 1 0 247.364 -0.052 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)Nc1nnn(C)n1 ZINC000912833878 640221890 /nfs/dbraw/zinc/22/18/90/640221890.db2.gz IHGBNIXNSGQDMR-UHFFFAOYSA-N 1 0 224.268 -0.344 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912907958 640233228 /nfs/dbraw/zinc/23/32/28/640233228.db2.gz QCHBJVDFNHVNGL-NXEZZACHSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912907959 640234844 /nfs/dbraw/zinc/23/48/44/640234844.db2.gz QCHBJVDFNHVNGL-UWVGGRQHSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912907960 640233146 /nfs/dbraw/zinc/23/31/46/640233146.db2.gz QCHBJVDFNHVNGL-VHSXEESVSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=C[C@H](O)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912907961 640234808 /nfs/dbraw/zinc/23/48/08/640234808.db2.gz QCHBJVDFNHVNGL-ZJUUUORDSA-N 1 0 210.277 -0.160 20 30 BBEDRO CON=CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912910478 640238243 /nfs/dbraw/zinc/23/82/43/640238243.db2.gz ZLQRBGMPXULHMJ-SECBINFHSA-N 1 0 211.265 -0.075 20 30 BBEDRO CON=CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912910488 640237823 /nfs/dbraw/zinc/23/78/23/640237823.db2.gz ZLQRBGMPXULHMJ-VIFPVBQESA-N 1 0 211.265 -0.075 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NN1CCOC1=O ZINC000912996392 640277306 /nfs/dbraw/zinc/27/73/06/640277306.db2.gz SJYNHFLZESJETM-UHFFFAOYSA-N 1 0 227.264 -0.022 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000913007997 640272587 /nfs/dbraw/zinc/27/25/87/640272587.db2.gz ZHMINUFWQDAREJ-MGCOHNPYSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1C(N)=O ZINC000913015285 640283299 /nfs/dbraw/zinc/28/32/99/640283299.db2.gz QKPKXWBJOMGHLC-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1COCCC1=O ZINC000913148258 640312210 /nfs/dbraw/zinc/31/22/10/640312210.db2.gz DFPPDDYIUCBKIC-JTQLQIEISA-N 1 0 240.303 -0.032 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1COCCC1=O ZINC000913148260 640312241 /nfs/dbraw/zinc/31/22/41/640312241.db2.gz DFPPDDYIUCBKIC-SNVBAGLBSA-N 1 0 240.303 -0.032 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCOC[C@H]1O ZINC000913172712 640319575 /nfs/dbraw/zinc/31/95/75/640319575.db2.gz PPEKYCYCWMPGNP-GHMZBOCLSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)Nn1ccc(=O)[nH]c1=O ZINC000913242089 640345253 /nfs/dbraw/zinc/34/52/53/640345253.db2.gz XZARUENXVZNGGT-UHFFFAOYSA-N 1 0 238.247 -0.863 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1COC[C@@H]1O ZINC000913433611 640370540 /nfs/dbraw/zinc/37/05/40/640370540.db2.gz ROEAZLUGYBAVDP-ZJUUUORDSA-N 1 0 228.292 -0.630 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1ccc[n+]([O-])c1 ZINC000913514422 711823419 /nfs/dbraw/zinc/82/34/19/711823419.db2.gz PGBGIANFGIKKMP-UHFFFAOYSA-N 1 0 233.271 -0.385 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cc[n+]([O-])cc1 ZINC000913514522 711823508 /nfs/dbraw/zinc/82/35/08/711823508.db2.gz SOYBKLYNJVVMJI-UHFFFAOYSA-N 1 0 233.271 -0.385 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cnccn1 ZINC000913514569 711823560 /nfs/dbraw/zinc/82/35/60/711823560.db2.gz VHTBOZXBZVGKIU-UHFFFAOYSA-N 1 0 218.260 -0.229 20 30 BBEDRO CC(=O)N[C@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913515022 711823490 /nfs/dbraw/zinc/82/34/90/711823490.db2.gz GAOMXOKLYFHSQX-SECBINFHSA-N 1 0 225.292 -0.808 20 30 BBEDRO CC(=O)N[C@@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913515023 711823284 /nfs/dbraw/zinc/82/32/84/711823284.db2.gz GAOMXOKLYFHSQX-VIFPVBQESA-N 1 0 225.292 -0.808 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)Cn1ccccc1=O ZINC000913515091 711823567 /nfs/dbraw/zinc/82/35/67/711823567.db2.gz IGTFLHGZLKTMNM-UHFFFAOYSA-N 1 0 247.298 -0.471 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CCCO1 ZINC000913515397 711823246 /nfs/dbraw/zinc/82/32/46/711823246.db2.gz VYJSGQZHSQFSGS-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCCO1 ZINC000913515398 711823529 /nfs/dbraw/zinc/82/35/29/711823529.db2.gz VYJSGQZHSQFSGS-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO Cn1cc(C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913515765 711823753 /nfs/dbraw/zinc/82/37/53/711823753.db2.gz MIBGLOYXZNQBIQ-UHFFFAOYSA-N 1 0 220.276 -0.285 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)CN1CCCC1=O ZINC000913515808 711823737 /nfs/dbraw/zinc/82/37/37/711823737.db2.gz OHSYLBPVFCWILH-UHFFFAOYSA-N 1 0 237.303 -0.710 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)Cn1cccn1 ZINC000913516073 640380570 /nfs/dbraw/zinc/38/05/70/640380570.db2.gz ZTKBVRFZZGIMHU-UHFFFAOYSA-N 1 0 220.276 -0.436 20 30 BBEDRO CN1C[C@@H](C(=O)NCC#CC[NH+](C)C)CC1=O ZINC000913516106 640380888 /nfs/dbraw/zinc/38/08/88/640380888.db2.gz BEVBIAUDFLMOFH-JTQLQIEISA-N 1 0 237.303 -0.854 20 30 BBEDRO CN1C[C@H](C(=O)NCC#CC[NH+](C)C)CC1=O ZINC000913516107 640380589 /nfs/dbraw/zinc/38/05/89/640380589.db2.gz BEVBIAUDFLMOFH-SNVBAGLBSA-N 1 0 237.303 -0.854 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)CCn1cncn1 ZINC000913516122 640380548 /nfs/dbraw/zinc/38/05/48/640380548.db2.gz BUFUANHEDLKPMI-UHFFFAOYSA-N 1 0 235.291 -0.651 20 30 BBEDRO COC(=O)[C@@H]1C[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913518290 640381128 /nfs/dbraw/zinc/38/11/28/640381128.db2.gz LOQPTXYQQOOAFO-NXEZZACHSA-N 1 0 238.287 -0.523 20 30 BBEDRO COC(=O)[C@H]1C[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913518291 640381164 /nfs/dbraw/zinc/38/11/64/640381164.db2.gz LOQPTXYQQOOAFO-UWVGGRQHSA-N 1 0 238.287 -0.523 20 30 BBEDRO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913518292 640381149 /nfs/dbraw/zinc/38/11/49/640381149.db2.gz LOQPTXYQQOOAFO-VHSXEESVSA-N 1 0 238.287 -0.523 20 30 BBEDRO COC(=O)[C@H]1C[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913518293 640381103 /nfs/dbraw/zinc/38/11/03/640381103.db2.gz LOQPTXYQQOOAFO-ZJUUUORDSA-N 1 0 238.287 -0.523 20 30 BBEDRO C=CCOCC(=O)NCC#CC[NH+](C)C ZINC000913518481 711823812 /nfs/dbraw/zinc/82/38/12/711823812.db2.gz QXEPCUPOHWGHKD-UHFFFAOYSA-N 1 0 210.277 -0.130 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cnc[nH]1 ZINC000913518522 711823792 /nfs/dbraw/zinc/82/37/92/711823792.db2.gz SGQFOCFUVAUSHB-UHFFFAOYSA-N 1 0 206.249 -0.296 20 30 BBEDRO Cc1nonc1C(=O)NCC#CC[NH+](C)C ZINC000913518572 711823841 /nfs/dbraw/zinc/82/38/41/711823841.db2.gz VMUYCQJPIGCDQM-UHFFFAOYSA-N 1 0 222.248 -0.327 20 30 BBEDRO Cn1ccc(C(=O)NCC#CC[NH+](C)C)n1 ZINC000913518639 711823818 /nfs/dbraw/zinc/82/38/18/711823818.db2.gz VUWITBYCULXTLY-UHFFFAOYSA-N 1 0 220.276 -0.285 20 30 BBEDRO COC[C@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913518671 711823821 /nfs/dbraw/zinc/82/38/21/711823821.db2.gz WZVWDBWEGSXKEA-JTQLQIEISA-N 1 0 212.293 -0.050 20 30 BBEDRO COC[C@@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913518672 711823809 /nfs/dbraw/zinc/82/38/09/711823809.db2.gz WZVWDBWEGSXKEA-SNVBAGLBSA-N 1 0 212.293 -0.050 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)CCCn1cncn1 ZINC000913518724 711823788 /nfs/dbraw/zinc/82/37/88/711823788.db2.gz YSLXWRGTBFBUTR-UHFFFAOYSA-N 1 0 249.318 -0.261 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC000913519843 640382266 /nfs/dbraw/zinc/38/22/66/640382266.db2.gz QUHBYXVLYPEUGI-UHFFFAOYSA-N 1 0 248.286 -0.592 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1ccc(C(N)=O)o1 ZINC000913519908 640382653 /nfs/dbraw/zinc/38/26/53/640382653.db2.gz UIADWSFHWUYDGO-UHFFFAOYSA-N 1 0 249.270 -0.327 20 30 BBEDRO Cc1cc(CC(=O)NCC#CC[NH+](C)C)n[nH]1 ZINC000913519913 640381702 /nfs/dbraw/zinc/38/17/02/640381702.db2.gz UNAMUKRLAPMCGC-UHFFFAOYSA-N 1 0 234.303 -0.058 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)C1(O)CCCC1 ZINC000913519937 640382808 /nfs/dbraw/zinc/38/28/08/640382808.db2.gz VRUGMUPQROLPRR-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1ccnnc1 ZINC000913520021 640382086 /nfs/dbraw/zinc/38/20/86/640382086.db2.gz ZHXOTURYXVTSOW-UHFFFAOYSA-N 1 0 218.260 -0.229 20 30 BBEDRO COC[C@@](C)(O)C(=O)NCC#CC[NH+](C)C ZINC000913520027 640382871 /nfs/dbraw/zinc/38/28/71/640382871.db2.gz ZVMWCCIAIVWJKZ-LLVKDONJSA-N 1 0 228.292 -0.935 20 30 BBEDRO COC[C@](C)(O)C(=O)NCC#CC[NH+](C)C ZINC000913520028 640381674 /nfs/dbraw/zinc/38/16/74/640381674.db2.gz ZVMWCCIAIVWJKZ-NSHDSACASA-N 1 0 228.292 -0.935 20 30 BBEDRO Cn1cnc(C(=O)NCC#CC[NH+](C)C)c1 ZINC000913520029 640382226 /nfs/dbraw/zinc/38/22/26/640382226.db2.gz ZWLQUFDKROTTDU-UHFFFAOYSA-N 1 0 220.276 -0.285 20 30 BBEDRO CSCC[C@H](O)C(=O)NCC#CC[NH+](C)C ZINC000913520041 640381571 /nfs/dbraw/zinc/38/15/71/640381571.db2.gz AKKYSWLJJQBYOB-JTQLQIEISA-N 1 0 244.360 -0.218 20 30 BBEDRO CSCC[C@@H](O)C(=O)NCC#CC[NH+](C)C ZINC000913520042 640381940 /nfs/dbraw/zinc/38/19/40/640381940.db2.gz AKKYSWLJJQBYOB-SNVBAGLBSA-N 1 0 244.360 -0.218 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@H](O)c1cccnc1 ZINC000913520070 640381860 /nfs/dbraw/zinc/38/18/60/640381860.db2.gz BIVGEVMODMWVEU-GFCCVEGCSA-N 1 0 247.298 -0.204 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@@H](O)c1cccnc1 ZINC000913520071 640382708 /nfs/dbraw/zinc/38/27/08/640382708.db2.gz BIVGEVMODMWVEU-LBPRGKRZSA-N 1 0 247.298 -0.204 20 30 BBEDRO Cn1c(=O)cccc1C(=O)NCC#CC[NH+](C)C ZINC000913520163 640382121 /nfs/dbraw/zinc/38/21/21/640382121.db2.gz GGTUCMJOSQYNSS-UHFFFAOYSA-N 1 0 247.298 -0.320 20 30 BBEDRO CCNC(=O)CC(=O)NCC#CC[NH+](C)C ZINC000913520216 640382534 /nfs/dbraw/zinc/38/25/34/640382534.db2.gz IPBOBTOELJBOIK-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO COCCCOCC(=O)NCC#CC[NH+](C)C ZINC000913520270 640381655 /nfs/dbraw/zinc/38/16/55/640381655.db2.gz KTAIRKBPPSMFCQ-UHFFFAOYSA-N 1 0 242.319 -0.279 20 30 BBEDRO COC(=O)N[C@@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913520327 640382482 /nfs/dbraw/zinc/38/24/82/640382482.db2.gz NIRISQUVVYIZHM-VIFPVBQESA-N 1 0 241.291 -0.588 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cnco1 ZINC000913520355 640382073 /nfs/dbraw/zinc/38/20/73/640382073.db2.gz NOOCHLVSNXZSNQ-UHFFFAOYSA-N 1 0 207.233 -0.031 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@@]1(O)CCSC1 ZINC000913520583 640382881 /nfs/dbraw/zinc/38/28/81/640382881.db2.gz UDDRNKJMALFNNJ-LLVKDONJSA-N 1 0 242.344 -0.464 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@]1(O)CCSC1 ZINC000913520584 640382518 /nfs/dbraw/zinc/38/25/18/640382518.db2.gz UDDRNKJMALFNNJ-NSHDSACASA-N 1 0 242.344 -0.464 20 30 BBEDRO Cn1cncc1C(=O)NCC#CC[NH+](C)C ZINC000913520941 711824068 /nfs/dbraw/zinc/82/40/68/711824068.db2.gz FEZJEFAQLSNEHA-UHFFFAOYSA-N 1 0 220.276 -0.285 20 30 BBEDRO CN1CC[C@@H](C(=O)NCC#CC[NH+](C)C)C1=O ZINC000913520943 711824037 /nfs/dbraw/zinc/82/40/37/711824037.db2.gz FGCNVZMDTUOYIR-JTQLQIEISA-N 1 0 237.303 -0.854 20 30 BBEDRO CN1CC[C@H](C(=O)NCC#CC[NH+](C)C)C1=O ZINC000913520944 711823992 /nfs/dbraw/zinc/82/39/92/711823992.db2.gz FGCNVZMDTUOYIR-SNVBAGLBSA-N 1 0 237.303 -0.854 20 30 BBEDRO C[C@H]1OC(=O)N[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913521005 711823892 /nfs/dbraw/zinc/82/38/92/711823892.db2.gz HXLKTPIPFLNSOF-BDAKNGLRSA-N 1 0 239.275 -0.836 20 30 BBEDRO C[C@@H]1OC(=O)N[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913521006 711823968 /nfs/dbraw/zinc/82/39/68/711823968.db2.gz HXLKTPIPFLNSOF-DTWKUNHWSA-N 1 0 239.275 -0.836 20 30 BBEDRO C[C@@H]1OC(=O)N[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913521007 711824029 /nfs/dbraw/zinc/82/40/29/711824029.db2.gz HXLKTPIPFLNSOF-IUCAKERBSA-N 1 0 239.275 -0.836 20 30 BBEDRO C[C@H]1OC(=O)N[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913521008 711823976 /nfs/dbraw/zinc/82/39/76/711823976.db2.gz HXLKTPIPFLNSOF-RKDXNWHRSA-N 1 0 239.275 -0.836 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cncnc1 ZINC000913521068 711823957 /nfs/dbraw/zinc/82/39/57/711823957.db2.gz JVQVXOWFRVRLPP-UHFFFAOYSA-N 1 0 218.260 -0.229 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1ccncn1 ZINC000913521073 711824027 /nfs/dbraw/zinc/82/40/27/711824027.db2.gz JXGZSUNFDACVEL-UHFFFAOYSA-N 1 0 218.260 -0.229 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)C(=O)NCC1CC1 ZINC000913521083 711823907 /nfs/dbraw/zinc/82/39/07/711823907.db2.gz KJDKIYAYRSTTCO-UHFFFAOYSA-N 1 0 237.303 -0.806 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)C1(O)CCC1 ZINC000913521090 711824062 /nfs/dbraw/zinc/82/40/62/711824062.db2.gz KOWQAPIXTYJBEZ-UHFFFAOYSA-N 1 0 210.277 -0.417 20 30 BBEDRO Cn1cncc1CC(=O)NCC#CC[NH+](C)C ZINC000913521172 711824015 /nfs/dbraw/zinc/82/40/15/711824015.db2.gz NKTCNHXCRSMXOW-UHFFFAOYSA-N 1 0 234.303 -0.356 20 30 BBEDRO CC[C@@H](CO)C(=O)NCC#CC[NH+](C)C ZINC000913521177 711823995 /nfs/dbraw/zinc/82/39/95/711823995.db2.gz NOOIZPJPNCAVGU-JTQLQIEISA-N 1 0 212.293 -0.314 20 30 BBEDRO CC[C@H](CO)C(=O)NCC#CC[NH+](C)C ZINC000913521178 711823989 /nfs/dbraw/zinc/82/39/89/711823989.db2.gz NOOIZPJPNCAVGU-SNVBAGLBSA-N 1 0 212.293 -0.314 20 30 BBEDRO CN1C(=O)CC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913521206 640383359 /nfs/dbraw/zinc/38/33/59/640383359.db2.gz OSRYGTKWLCIXAS-JTQLQIEISA-N 1 0 237.303 -0.712 20 30 BBEDRO Cc1nn[nH]c1C(=O)NCC#CC[NH+](C)C ZINC000913521234 640383441 /nfs/dbraw/zinc/38/34/41/640383441.db2.gz PTGXZGWUJKHJIS-UHFFFAOYSA-N 1 0 221.264 -0.592 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)C(C)(C)CO ZINC000913521259 640383290 /nfs/dbraw/zinc/38/32/90/640383290.db2.gz QZSBGWRDXYLRBX-UHFFFAOYSA-N 1 0 212.293 -0.314 20 30 BBEDRO CO[C@]1(C(=O)NCC#CC[NH+](C)C)CCOC1 ZINC000913521278 640383153 /nfs/dbraw/zinc/38/31/53/640383153.db2.gz RVZNVOGJRMYIEB-GFCCVEGCSA-N 1 0 240.303 -0.527 20 30 BBEDRO CO[C@@]1(C(=O)NCC#CC[NH+](C)C)CCOC1 ZINC000913521279 640383582 /nfs/dbraw/zinc/38/35/82/640383582.db2.gz RVZNVOGJRMYIEB-LBPRGKRZSA-N 1 0 240.303 -0.527 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)C1(O)CCOCC1 ZINC000913521287 640383701 /nfs/dbraw/zinc/38/37/01/640383701.db2.gz SDHVPTMJTHCLIJ-UHFFFAOYSA-N 1 0 240.303 -0.791 20 30 BBEDRO COc1cc(C(=O)NCC#CC[NH+](C)C)on1 ZINC000913521335 640383739 /nfs/dbraw/zinc/38/37/39/640383739.db2.gz UTONXCYQALCFPV-UHFFFAOYSA-N 1 0 237.259 -0.022 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)CC1OCCO1 ZINC000913521341 640383615 /nfs/dbraw/zinc/38/36/15/640383615.db2.gz UVMPDELYZYHMHR-UHFFFAOYSA-N 1 0 226.276 -0.569 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1coc(C(N)=O)c1 ZINC000913521344 640383454 /nfs/dbraw/zinc/38/34/54/640383454.db2.gz VBGYFDGIJBAFPX-UHFFFAOYSA-N 1 0 249.270 -0.327 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)C1(C)COC1 ZINC000913521381 640383488 /nfs/dbraw/zinc/38/34/88/640383488.db2.gz WWABPLUNBMTYFV-UHFFFAOYSA-N 1 0 210.277 -0.296 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)CC1OCCCO1 ZINC000913521454 640383524 /nfs/dbraw/zinc/38/35/24/640383524.db2.gz ZWWCZJRWDRXDMN-UHFFFAOYSA-N 1 0 240.303 -0.179 20 30 BBEDRO COc1cncc(C(=O)NCC#CC[NH+](C)C)n1 ZINC000913521485 640383659 /nfs/dbraw/zinc/38/36/59/640383659.db2.gz AXACUGKTAWIOPR-UHFFFAOYSA-N 1 0 248.286 -0.220 20 30 BBEDRO Cn1nncc1C(=O)NCC#CC[NH+](C)C ZINC000913521494 640383327 /nfs/dbraw/zinc/38/33/27/640383327.db2.gz BAHAZAICXXNZQW-UHFFFAOYSA-N 1 0 221.264 -0.890 20 30 BBEDRO Cn1ncc(C(=O)NCC#CC[NH+](C)C)n1 ZINC000913522332 711824130 /nfs/dbraw/zinc/82/41/30/711824130.db2.gz FETPTQNVJHKVES-UHFFFAOYSA-N 1 0 221.264 -0.890 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cc2n(n1)CCO2 ZINC000913522384 711824140 /nfs/dbraw/zinc/82/41/40/711824140.db2.gz HKBUBTKKGKFELL-UHFFFAOYSA-N 1 0 248.286 -0.430 20 30 BBEDRO CC(C)[C@H](O)C(=O)NCC#CC[NH+](C)C ZINC000913522389 711824152 /nfs/dbraw/zinc/82/41/52/711824152.db2.gz HPIBCYSSTDNGNZ-JTQLQIEISA-N 1 0 212.293 -0.316 20 30 BBEDRO CC(C)[C@@H](O)C(=O)NCC#CC[NH+](C)C ZINC000913522390 711824157 /nfs/dbraw/zinc/82/41/57/711824157.db2.gz HPIBCYSSTDNGNZ-SNVBAGLBSA-N 1 0 212.293 -0.316 20 30 BBEDRO CCn1ncc(C(=O)NCC#CC[NH+](C)C)n1 ZINC000913522405 711824161 /nfs/dbraw/zinc/82/41/61/711824161.db2.gz IAFUUGHATUNREB-UHFFFAOYSA-N 1 0 235.291 -0.407 20 30 BBEDRO Cn1cnc(C(=O)NCC#CC[NH+](C)C)n1 ZINC000913522621 640384034 /nfs/dbraw/zinc/38/40/34/640384034.db2.gz QWNOWJDWAURHGY-UHFFFAOYSA-N 1 0 221.264 -0.890 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@@H](O)C1CC1 ZINC000913522631 640384093 /nfs/dbraw/zinc/38/40/93/640384093.db2.gz RDFADUMCKBNFIQ-JTQLQIEISA-N 1 0 210.277 -0.562 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@H](O)C1CC1 ZINC000913522632 640384048 /nfs/dbraw/zinc/38/40/48/640384048.db2.gz RDFADUMCKBNFIQ-SNVBAGLBSA-N 1 0 210.277 -0.562 20 30 BBEDRO Cc1nonc1CC(=O)NCC#CC[NH+](C)C ZINC000913523161 711823110 /nfs/dbraw/zinc/82/31/10/711823110.db2.gz NVKOSPVWJZWANH-UHFFFAOYSA-N 1 0 236.275 -0.398 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NCC#CC[NH+](C)C ZINC000913523206 711823117 /nfs/dbraw/zinc/82/31/17/711823117.db2.gz QCZMFRAHHDJYCW-LLVKDONJSA-N 1 0 210.277 -0.395 20 30 BBEDRO C=C[C@](C)(O)C(=O)NCC#CC[NH+](C)C ZINC000913523207 711823102 /nfs/dbraw/zinc/82/31/02/711823102.db2.gz QCZMFRAHHDJYCW-NSHDSACASA-N 1 0 210.277 -0.395 20 30 BBEDRO Cc1nccn1CC(=O)NCC#CC[NH+](C)C ZINC000913523213 711823119 /nfs/dbraw/zinc/82/31/19/711823119.db2.gz QIAGNRYZOFWWAK-UHFFFAOYSA-N 1 0 234.303 -0.127 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@@H](O)C1CCC1 ZINC000913523375 640379650 /nfs/dbraw/zinc/37/96/50/640379650.db2.gz YAPUPSVGFKJOMQ-NSHDSACASA-N 1 0 224.304 -0.171 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cccnn1 ZINC000913524416 711823292 /nfs/dbraw/zinc/82/32/92/711823292.db2.gz MDFIEFSVSZNKLE-UHFFFAOYSA-N 1 0 218.260 -0.229 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000913524468 711823632 /nfs/dbraw/zinc/82/36/32/711823632.db2.gz NLOBXHJMWWLEND-URLYPYJESA-N 1 0 222.288 -0.440 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1cn(C2CC2)nn1 ZINC000913524532 711823584 /nfs/dbraw/zinc/82/35/84/711823584.db2.gz QFZUNUHITGVCBN-UHFFFAOYSA-N 1 0 247.302 -0.092 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)COCC(F)F ZINC000913524557 711823596 /nfs/dbraw/zinc/82/35/96/711823596.db2.gz RJTLONBUZGJOLJ-UHFFFAOYSA-N 1 0 234.246 -0.051 20 30 BBEDRO Cc1cncn1CC(=O)NCC#CC[NH+](C)C ZINC000913524583 711823423 /nfs/dbraw/zinc/82/34/23/711823423.db2.gz SKXKLKWZUVNKQU-UHFFFAOYSA-N 1 0 234.303 -0.127 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)/C=C/Cn1cncn1 ZINC000913524639 711823646 /nfs/dbraw/zinc/82/36/46/711823646.db2.gz WCQWSAWZWRDZSU-AATRIKPKSA-N 1 0 247.302 -0.485 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)/C=C\Cn1cncn1 ZINC000913524640 711823309 /nfs/dbraw/zinc/82/33/09/711823309.db2.gz WCQWSAWZWRDZSU-WAYWQWQTSA-N 1 0 247.302 -0.485 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)c1n[nH]cc1F ZINC000913525146 640380063 /nfs/dbraw/zinc/38/00/63/640380063.db2.gz LZMIAIYITKYRAJ-UHFFFAOYSA-N 1 0 224.239 -0.156 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCC(=O)O1 ZINC000913525166 711823289 /nfs/dbraw/zinc/82/32/89/711823289.db2.gz MPSVXWDVZNJIMB-SECBINFHSA-N 1 0 224.260 -0.627 20 30 BBEDRO CN1C(=O)OC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525186 711823399 /nfs/dbraw/zinc/82/33/99/711823399.db2.gz NGYVSRULSHOPLG-SECBINFHSA-N 1 0 239.275 -0.882 20 30 BBEDRO CN1C(=O)OC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525187 711823564 /nfs/dbraw/zinc/82/35/64/711823564.db2.gz NGYVSRULSHOPLG-VIFPVBQESA-N 1 0 239.275 -0.882 20 30 BBEDRO CC[C@@H](NC(C)=O)C(=O)NCC#CC[NH+](C)C ZINC000913525258 711823635 /nfs/dbraw/zinc/82/36/35/711823635.db2.gz PMCRMTFPWVTOJK-LLVKDONJSA-N 1 0 239.319 -0.418 20 30 BBEDRO CC[C@H](NC(C)=O)C(=O)NCC#CC[NH+](C)C ZINC000913525259 711823384 /nfs/dbraw/zinc/82/33/84/711823384.db2.gz PMCRMTFPWVTOJK-NSHDSACASA-N 1 0 239.319 -0.418 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)C[C@@H]1CCNC1=O ZINC000913525392 711823437 /nfs/dbraw/zinc/82/34/37/711823437.db2.gz VGFRFIZWBJHLFA-JTQLQIEISA-N 1 0 237.303 -0.806 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)C[C@H]1CCNC1=O ZINC000913525393 711823407 /nfs/dbraw/zinc/82/34/07/711823407.db2.gz VGFRFIZWBJHLFA-SNVBAGLBSA-N 1 0 237.303 -0.806 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC000913525402 711823299 /nfs/dbraw/zinc/82/32/99/711823299.db2.gz VVGBPDRDIFZMGG-LBPRGKRZSA-N 1 0 237.303 -0.664 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)COC1CC1 ZINC000913525417 711823456 /nfs/dbraw/zinc/82/34/56/711823456.db2.gz WLYXIOVKUKKIKA-UHFFFAOYSA-N 1 0 210.277 -0.153 20 30 BBEDRO C[NH+](C)CC#CCNC(=O)Cc1c[nH]cn1 ZINC000913525482 711823599 /nfs/dbraw/zinc/82/35/99/711823599.db2.gz ZBEFJPBNTZERHH-UHFFFAOYSA-N 1 0 220.276 -0.367 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)N1CCN(C)[C@H](CO)C1 ZINC000913544384 640391217 /nfs/dbraw/zinc/39/12/17/640391217.db2.gz DLVJCDCJTHDBIE-CMPLNLGQSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@](C)(O)CC(=O)N1CCN(C)[C@H](CO)C1 ZINC000913544385 640393082 /nfs/dbraw/zinc/39/30/82/640393082.db2.gz DLVJCDCJTHDBIE-JQWIXIFHSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@](C)(O)CC(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913544386 640393992 /nfs/dbraw/zinc/39/39/92/640393992.db2.gz DLVJCDCJTHDBIE-PWSUYJOCSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@@](C)(O)CC(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913544387 640392011 /nfs/dbraw/zinc/39/20/11/640392011.db2.gz DLVJCDCJTHDBIE-ZYHUDNBSSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913545182 640396632 /nfs/dbraw/zinc/39/66/32/640396632.db2.gz WPHZEYVCRCREAR-LLVKDONJSA-N 1 0 241.335 -0.761 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C)[C@H](CO)C1 ZINC000913545183 640395659 /nfs/dbraw/zinc/39/56/59/640395659.db2.gz WPHZEYVCRCREAR-NSHDSACASA-N 1 0 241.335 -0.761 20 30 BBEDRO CN1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CO ZINC000913549669 640396077 /nfs/dbraw/zinc/39/60/77/640396077.db2.gz CVQAVIOYMHIRIR-JTQLQIEISA-N 1 0 248.286 -0.365 20 30 BBEDRO CN1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CO ZINC000913549670 640396223 /nfs/dbraw/zinc/39/62/23/640396223.db2.gz CVQAVIOYMHIRIR-SNVBAGLBSA-N 1 0 248.286 -0.365 20 30 BBEDRO C#CCOCCC(=O)NC12CC[NH+](CC1)C2 ZINC000913631330 641428550 /nfs/dbraw/zinc/42/85/50/641428550.db2.gz PVTIILFBCDZYMD-UHFFFAOYSA-N 1 0 222.288 -0.009 20 30 BBEDRO C=C[C@](C)(O)C(=O)NC12CC[NH+](CC1)C2 ZINC000913635064 641437341 /nfs/dbraw/zinc/43/73/41/641437341.db2.gz OZZYNWMMGHIVGU-JTQLQIEISA-N 1 0 210.277 -0.112 20 30 BBEDRO C=C[C@@](C)(O)C(=O)NC12CC[NH+](CC1)C2 ZINC000913635065 641437940 /nfs/dbraw/zinc/43/79/40/641437940.db2.gz OZZYNWMMGHIVGU-SNVBAGLBSA-N 1 0 210.277 -0.112 20 30 BBEDRO C#CCO[C@@H](C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913635266 641438089 /nfs/dbraw/zinc/43/80/89/641438089.db2.gz XRUBQGNPKCGLCR-JTQLQIEISA-N 1 0 222.288 -0.011 20 30 BBEDRO C#CCO[C@H](C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913635267 641437298 /nfs/dbraw/zinc/43/72/98/641437298.db2.gz XRUBQGNPKCGLCR-SNVBAGLBSA-N 1 0 222.288 -0.011 20 30 BBEDRO CON=CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913676854 641456948 /nfs/dbraw/zinc/45/69/48/641456948.db2.gz ONPGYKVOKCSWLF-UHFFFAOYSA-N 1 0 243.307 -0.466 20 30 BBEDRO C=C[C@H](O)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913677078 641456539 /nfs/dbraw/zinc/45/65/39/641456539.db2.gz ZNZSANGHECUREQ-JTQLQIEISA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C[C@@H](O)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913677079 641455672 /nfs/dbraw/zinc/45/56/72/641455672.db2.gz ZNZSANGHECUREQ-SNVBAGLBSA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)[C@@H](C)O ZINC000913722936 641461767 /nfs/dbraw/zinc/46/17/67/641461767.db2.gz LDJPEUODAHSFPR-NXEZZACHSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)[C@H](C)O ZINC000913722937 641461399 /nfs/dbraw/zinc/46/13/99/641461399.db2.gz LDJPEUODAHSFPR-UWVGGRQHSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)[C@H](C)O ZINC000913722938 641461843 /nfs/dbraw/zinc/46/18/43/641461843.db2.gz LDJPEUODAHSFPR-VHSXEESVSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)[C@@H](C)O ZINC000913722939 641461645 /nfs/dbraw/zinc/46/16/45/641461645.db2.gz LDJPEUODAHSFPR-ZJUUUORDSA-N 1 0 230.308 -0.648 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000913762593 641470081 /nfs/dbraw/zinc/47/00/81/641470081.db2.gz ZEZDYYAEMNCQMH-MNOVXSKESA-N 1 0 242.319 -0.552 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC(n2ccnn2)C1 ZINC000913789901 641477646 /nfs/dbraw/zinc/47/76/46/641477646.db2.gz ARSQFHZWNXQRGX-UHFFFAOYSA-N 1 0 235.291 -0.221 20 30 BBEDRO C#CC[C@H](CO)NC(=O)NC1CC[NH+](C)CC1 ZINC000913881426 641512028 /nfs/dbraw/zinc/51/20/28/641512028.db2.gz WTLVHHVEBAVXFZ-LLVKDONJSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)NC1CC[NH+](C)CC1 ZINC000913881427 641510897 /nfs/dbraw/zinc/51/08/97/641510897.db2.gz WTLVHHVEBAVXFZ-NSHDSACASA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000914314112 641638099 /nfs/dbraw/zinc/63/80/99/641638099.db2.gz MYUPVMRQFNTAAY-GHMZBOCLSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000914314113 641637670 /nfs/dbraw/zinc/63/76/70/641637670.db2.gz MYUPVMRQFNTAAY-MNOVXSKESA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000914314114 641637484 /nfs/dbraw/zinc/63/74/84/641637484.db2.gz MYUPVMRQFNTAAY-QWRGUYRKSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@H](CO)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000914314115 641638119 /nfs/dbraw/zinc/63/81/19/641638119.db2.gz MYUPVMRQFNTAAY-WDEREUQCSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@H](CO)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000914392263 641657858 /nfs/dbraw/zinc/65/78/58/641657858.db2.gz XBFBAOVRZNNPJW-GHMZBOCLSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@H](CO)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000914392264 641657592 /nfs/dbraw/zinc/65/75/92/641657592.db2.gz XBFBAOVRZNNPJW-MNOVXSKESA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000914392265 641658563 /nfs/dbraw/zinc/65/85/63/641658563.db2.gz XBFBAOVRZNNPJW-QWRGUYRKSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000914392266 641658293 /nfs/dbraw/zinc/65/82/93/641658293.db2.gz XBFBAOVRZNNPJW-WDEREUQCSA-N 1 0 239.319 -0.236 20 30 BBEDRO CNC(=O)c1ccc(C=NNC(N)=[NH2+])cc1 ZINC000915048503 641794640 /nfs/dbraw/zinc/79/46/40/641794640.db2.gz FXKGJBVGLRMESL-UHFFFAOYSA-N 1 0 219.248 -0.137 20 30 BBEDRO NC(=[NH2+])NN=Cc1cnc(N2CCCC2)nc1 ZINC000915049489 641794453 /nfs/dbraw/zinc/79/44/53/641794453.db2.gz SLJIPBWKXOXESJ-UHFFFAOYSA-N 1 0 233.279 -0.106 20 30 BBEDRO CN(CCO)c1ccc(C=NNC(N)=[NH2+])cc1 ZINC000915051053 641796622 /nfs/dbraw/zinc/79/66/22/641796622.db2.gz SHHUHSOUSQBGTK-UHFFFAOYSA-N 1 0 235.291 -0.068 20 30 BBEDRO COc1cc(C=NNC(N)=[NH2+])cc(O)c1O ZINC000915051216 641796559 /nfs/dbraw/zinc/79/65/59/641796559.db2.gz XXIMETFKQVPJAP-UHFFFAOYSA-N 1 0 224.220 -0.077 20 30 BBEDRO NC(=[NH2+])N=NC1CCN(c2cnccn2)CC1 ZINC000915959784 641888122 /nfs/dbraw/zinc/88/81/22/641888122.db2.gz XGPJSIBHCMPSMN-UHFFFAOYSA-N 1 0 233.279 -0.084 20 30 BBEDRO C=CC[N@H+](CC(=O)N1CCNC(=O)C1)C(C)C ZINC000917070970 642002997 /nfs/dbraw/zinc/00/29/97/642002997.db2.gz LCWDLQQNMMZMQS-UHFFFAOYSA-N 1 0 239.319 -0.159 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](OC)C(=O)OC ZINC000918061079 642165239 /nfs/dbraw/zinc/16/52/39/642165239.db2.gz KSTCAKGURRCJLH-VIFPVBQESA-N 1 0 244.291 -0.592 20 30 BBEDRO CS(=O)(=O)c1ccc(C=NNC(N)=[NH2+])cc1 ZINC000918152996 642174216 /nfs/dbraw/zinc/17/42/16/642174216.db2.gz RCCVDBZFKRNPBX-UHFFFAOYSA-N 1 0 240.288 -0.093 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000918179661 642176659 /nfs/dbraw/zinc/17/66/59/642176659.db2.gz JRZKNMJYJMPDAN-JTQLQIEISA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@H](CO)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000918179663 642174836 /nfs/dbraw/zinc/17/48/36/642174836.db2.gz JRZKNMJYJMPDAN-SNVBAGLBSA-N 1 0 239.319 -0.236 20 30 BBEDRO CC(=NNC(N)=[NH2+])c1ccc(-n2cnnn2)cc1 ZINC000918710783 642259779 /nfs/dbraw/zinc/25/97/79/642259779.db2.gz DDRXEMCOEBJNEE-UHFFFAOYSA-N 1 0 244.262 -0.131 20 30 BBEDRO C#CC1(F)CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000919961022 642412501 /nfs/dbraw/zinc/41/25/01/642412501.db2.gz HRONARMCTWPHLB-GXSJLCMTSA-N 1 0 240.278 -0.375 20 30 BBEDRO C#CC1(F)CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000919961023 642411018 /nfs/dbraw/zinc/41/10/18/642411018.db2.gz HRONARMCTWPHLB-KOLCDFICSA-N 1 0 240.278 -0.375 20 30 BBEDRO C#CC1(F)CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000919961024 642411615 /nfs/dbraw/zinc/41/16/15/642411615.db2.gz HRONARMCTWPHLB-MWLCHTKSSA-N 1 0 240.278 -0.375 20 30 BBEDRO C#CC1(F)CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000919961026 642412693 /nfs/dbraw/zinc/41/26/93/642412693.db2.gz HRONARMCTWPHLB-ONGXEEELSA-N 1 0 240.278 -0.375 20 30 BBEDRO NC(=[NH2+])NN=Cc1cc2c(cc1O)OCO2 ZINC000920376283 642484627 /nfs/dbraw/zinc/48/46/27/642484627.db2.gz XYHQSOIPNWGKIL-UHFFFAOYSA-N 1 0 222.204 -0.062 20 30 BBEDRO C#CCC[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000920416246 642490388 /nfs/dbraw/zinc/49/03/88/642490388.db2.gz YLOVKOFJAUCHDI-UHFFFAOYSA-N 1 0 223.320 -0.285 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000921902273 643822157 /nfs/dbraw/zinc/82/21/57/643822157.db2.gz XFTMXIHKCSIGTJ-MWLCHTKSSA-N 1 0 210.277 -0.303 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000921902276 643822016 /nfs/dbraw/zinc/82/20/16/643822016.db2.gz XFTMXIHKCSIGTJ-ONGXEEELSA-N 1 0 210.277 -0.303 20 30 BBEDRO C#CCOCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000921935830 643828929 /nfs/dbraw/zinc/82/89/29/643828929.db2.gz ZESCDZQADFVFAA-JTQLQIEISA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCOCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000921935837 643828832 /nfs/dbraw/zinc/82/88/32/643828832.db2.gz ZESCDZQADFVFAA-SNVBAGLBSA-N 1 0 225.292 -0.361 20 30 BBEDRO C#CCN(C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000922023395 643848241 /nfs/dbraw/zinc/84/82/41/643848241.db2.gz JBGDOTGHZLDWBY-UHFFFAOYSA-N 1 0 230.333 -0.025 20 30 BBEDRO C[C@@H](C#N)C(=O)NCC[N@H+](C)CCOCCO ZINC000922124761 643867497 /nfs/dbraw/zinc/86/74/97/643867497.db2.gz FUGNCYMMJRANCK-JTQLQIEISA-N 1 0 243.307 -0.797 20 30 BBEDRO C[C@H](C#N)C(=O)NCC[N@H+](C)CCOCCO ZINC000922124762 643867072 /nfs/dbraw/zinc/86/70/72/643867072.db2.gz FUGNCYMMJRANCK-SNVBAGLBSA-N 1 0 243.307 -0.797 20 30 BBEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cnc(C#N)n1 ZINC000922157681 643878503 /nfs/dbraw/zinc/87/85/03/643878503.db2.gz CPOSLTXLLUJUNA-SECBINFHSA-N 1 0 248.290 -0.640 20 30 BBEDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cn1cnc(C#N)n1 ZINC000922157689 643879244 /nfs/dbraw/zinc/87/92/44/643879244.db2.gz CPOSLTXLLUJUNA-VIFPVBQESA-N 1 0 248.290 -0.640 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC=C[C@H]1CO ZINC000922279855 643947991 /nfs/dbraw/zinc/94/79/91/643947991.db2.gz ZSUORJMIBHJIJP-JTQLQIEISA-N 1 0 210.277 -0.137 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N1CC=C[C@@H]1CO ZINC000922279856 643947827 /nfs/dbraw/zinc/94/78/27/643947827.db2.gz ZSUORJMIBHJIJP-SNVBAGLBSA-N 1 0 210.277 -0.137 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000922483357 644002238 /nfs/dbraw/zinc/00/22/38/644002238.db2.gz VWDCPYXJTQHFIH-UWVGGRQHSA-N 1 0 227.308 -0.380 20 30 BBEDRO C#CC[C@H](CO)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000922483358 644002626 /nfs/dbraw/zinc/00/26/26/644002626.db2.gz VWDCPYXJTQHFIH-VHSXEESVSA-N 1 0 227.308 -0.380 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000922739762 644079619 /nfs/dbraw/zinc/07/96/19/644079619.db2.gz ULVGDZRNPBZWLZ-UWVGGRQHSA-N 1 0 227.308 -0.380 20 30 BBEDRO C#CC[C@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000922739763 644079977 /nfs/dbraw/zinc/07/99/77/644079977.db2.gz ULVGDZRNPBZWLZ-VHSXEESVSA-N 1 0 227.308 -0.380 20 30 BBEDRO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000922906268 644186614 /nfs/dbraw/zinc/18/66/14/644186614.db2.gz AYKQPBCSVYQHQI-GHMZBOCLSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000922906269 644185800 /nfs/dbraw/zinc/18/58/00/644185800.db2.gz AYKQPBCSVYQHQI-MNOVXSKESA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000922906270 644185882 /nfs/dbraw/zinc/18/58/82/644185882.db2.gz AYKQPBCSVYQHQI-QWRGUYRKSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000922906271 644186572 /nfs/dbraw/zinc/18/65/72/644186572.db2.gz AYKQPBCSVYQHQI-WDEREUQCSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922982787 644210130 /nfs/dbraw/zinc/21/01/30/644210130.db2.gz UQNYDAGAXJBCAD-JTQLQIEISA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@H](CO)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922982789 644210190 /nfs/dbraw/zinc/21/01/90/644210190.db2.gz UQNYDAGAXJBCAD-SNVBAGLBSA-N 1 0 239.319 -0.236 20 30 BBEDRO C=C[C@H](CO)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922988135 644216786 /nfs/dbraw/zinc/21/67/86/644216786.db2.gz NEZWQSZHSMQAFM-SECBINFHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C#CCC1([NH2+]Cc2cn(CC(N)=O)nn2)CCC1 ZINC000922998912 644223628 /nfs/dbraw/zinc/22/36/28/644223628.db2.gz NBTGIWWQHTVGFB-UHFFFAOYSA-N 1 0 247.302 -0.201 20 30 BBEDRO C=CCC[C@H](O)CN(CC[NH3+])CCO ZINC000923331473 644358924 /nfs/dbraw/zinc/35/89/24/644358924.db2.gz LIBOIEMCZOYRRP-JTQLQIEISA-N 1 0 202.298 -0.434 20 30 BBEDRO C=CCC[C@@H](O)CN(CC[NH3+])CCO ZINC000923331475 644361077 /nfs/dbraw/zinc/36/10/77/644361077.db2.gz LIBOIEMCZOYRRP-SNVBAGLBSA-N 1 0 202.298 -0.434 20 30 BBEDRO N#Cc1ccc([C@H](O)CN(CC[NH3+])CCO)cc1 ZINC000923331562 644361354 /nfs/dbraw/zinc/36/13/54/644361354.db2.gz LUKJZRWKJGRZPT-CYBMUJFWSA-N 1 0 249.314 -0.155 20 30 BBEDRO N#Cc1ccc([C@@H](O)CN(CC[NH3+])CCO)cc1 ZINC000923331597 644359461 /nfs/dbraw/zinc/35/94/61/644359461.db2.gz LUKJZRWKJGRZPT-ZDUSSCGKSA-N 1 0 249.314 -0.155 20 30 BBEDRO C=CCC[C@@H](O)CN1CCO[C@H](C[NH3+])C1 ZINC000923332708 644354936 /nfs/dbraw/zinc/35/49/36/644354936.db2.gz WARZBCLGOMOQSY-GHMZBOCLSA-N 1 0 214.309 -0.027 20 30 BBEDRO C=CCC[C@@H](O)CN1CCO[C@@H](C[NH3+])C1 ZINC000923332710 644353536 /nfs/dbraw/zinc/35/35/36/644353536.db2.gz WARZBCLGOMOQSY-MNOVXSKESA-N 1 0 214.309 -0.027 20 30 BBEDRO C=CCC[C@H](O)CN1CCO[C@@H](C[NH3+])C1 ZINC000923332711 644355146 /nfs/dbraw/zinc/35/51/46/644355146.db2.gz WARZBCLGOMOQSY-QWRGUYRKSA-N 1 0 214.309 -0.027 20 30 BBEDRO C=CCC[C@H](O)CN1CCO[C@H](C[NH3+])C1 ZINC000923332713 644354188 /nfs/dbraw/zinc/35/41/88/644354188.db2.gz WARZBCLGOMOQSY-WDEREUQCSA-N 1 0 214.309 -0.027 20 30 BBEDRO C=CCC[C@@H](O)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923383185 644393125 /nfs/dbraw/zinc/39/31/25/644393125.db2.gz XXCCMLWTWGPWEZ-GRYCIOLGSA-N 1 0 226.320 -0.014 20 30 BBEDRO C=CCC[C@H](O)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923383186 644393721 /nfs/dbraw/zinc/39/37/21/644393721.db2.gz XXCCMLWTWGPWEZ-SDDRHHMPSA-N 1 0 226.320 -0.014 20 30 BBEDRO C=CCC[C@@H](O)CN1CCOC[C@]1(C[NH3+])CO ZINC000923425994 644418637 /nfs/dbraw/zinc/41/86/37/644418637.db2.gz QRXMDPYJMUWLCC-NEPJUHHUSA-N 1 0 244.335 -0.665 20 30 BBEDRO C=CCC[C@H](O)CN1CCOC[C@@]1(C[NH3+])CO ZINC000923425997 644419217 /nfs/dbraw/zinc/41/92/17/644419217.db2.gz QRXMDPYJMUWLCC-NWDGAFQWSA-N 1 0 244.335 -0.665 20 30 BBEDRO C=CCC[C@H](O)CN1CCOC[C@]1(C[NH3+])CO ZINC000923425999 644418557 /nfs/dbraw/zinc/41/85/57/644418557.db2.gz QRXMDPYJMUWLCC-RYUDHWBXSA-N 1 0 244.335 -0.665 20 30 BBEDRO C=CCC[C@@H](O)CN1CCOC[C@@]1(C[NH3+])CO ZINC000923426000 644419389 /nfs/dbraw/zinc/41/93/89/644419389.db2.gz QRXMDPYJMUWLCC-VXGBXAGGSA-N 1 0 244.335 -0.665 20 30 BBEDRO C=CCNC(=O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923463191 644445129 /nfs/dbraw/zinc/44/51/29/644445129.db2.gz VDKMYLILRFRAJD-WDEREUQCSA-N 1 0 223.320 -0.028 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CCNCC[NH2+]CC1 ZINC000923464924 644443155 /nfs/dbraw/zinc/44/31/55/644443155.db2.gz SIOHHZFCIIMDBO-LLVKDONJSA-N 1 0 240.351 -0.828 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCNCC[NH2+]CC1 ZINC000923464925 644443950 /nfs/dbraw/zinc/44/39/50/644443950.db2.gz SIOHHZFCIIMDBO-NSHDSACASA-N 1 0 240.351 -0.828 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923479339 712334695 /nfs/dbraw/zinc/33/46/95/712334695.db2.gz JPUKJMNFUYGVIM-LLVKDONJSA-N 1 0 227.308 -0.926 20 30 BBEDRO C=CCNC(=O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923479345 712334593 /nfs/dbraw/zinc/33/45/93/712334593.db2.gz JPUKJMNFUYGVIM-NSHDSACASA-N 1 0 227.308 -0.926 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCC[C@]([NH3+])(CO)C1 ZINC000923484599 644461664 /nfs/dbraw/zinc/46/16/64/644461664.db2.gz RXFJVXGYSUBNOP-CMPLNLGQSA-N 1 0 241.335 -0.537 20 30 BBEDRO C=CCNC(=O)[C@H](C)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923484600 644462352 /nfs/dbraw/zinc/46/23/52/644462352.db2.gz RXFJVXGYSUBNOP-JQWIXIFHSA-N 1 0 241.335 -0.537 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923484601 644463222 /nfs/dbraw/zinc/46/32/22/644463222.db2.gz RXFJVXGYSUBNOP-PWSUYJOCSA-N 1 0 241.335 -0.537 20 30 BBEDRO C=CCNC(=O)[C@@H](C)N1CCC[C@]([NH3+])(CO)C1 ZINC000923484602 644462449 /nfs/dbraw/zinc/46/24/49/644462449.db2.gz RXFJVXGYSUBNOP-ZYHUDNBSSA-N 1 0 241.335 -0.537 20 30 BBEDRO C=CCNC(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522220 644485645 /nfs/dbraw/zinc/48/56/45/644485645.db2.gz XFMCSVFJZQPPPQ-WDEREUQCSA-N 1 0 223.320 -0.170 20 30 BBEDRO N#C[C@@]12CN(CCC[NH3+])C[C@@H]1CS(=O)(=O)C2 ZINC000923532034 644489381 /nfs/dbraw/zinc/48/93/81/644489381.db2.gz XPOPPERJTDBUCK-ZJUUUORDSA-N 1 0 243.332 -0.795 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C(=O)OC)[C@@H](C)O ZINC000923533512 644490596 /nfs/dbraw/zinc/49/05/96/644490596.db2.gz IYEDPEPFVFBLCI-BDAKNGLRSA-N 1 0 244.291 -0.857 20 30 BBEDRO N#C[C@]12CN(CCC[NH3+])C[C@@H]1CS(=O)(=O)C2 ZINC000923550422 644497622 /nfs/dbraw/zinc/49/76/22/644497622.db2.gz XPOPPERJTDBUCK-NXEZZACHSA-N 1 0 243.332 -0.795 20 30 BBEDRO C#CCN1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000923551637 644494116 /nfs/dbraw/zinc/49/41/16/644494116.db2.gz BOSPKYVYBUAIDB-SDDRHHMPSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCN1CCC[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000923551638 644496346 /nfs/dbraw/zinc/49/63/46/644496346.db2.gz BOSPKYVYBUAIDB-UTUOFQBUSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC000923554088 644496407 /nfs/dbraw/zinc/49/64/07/644496407.db2.gz FDNWHMMQSPVBBV-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCN1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC000923554090 644494854 /nfs/dbraw/zinc/49/48/54/644494854.db2.gz FDNWHMMQSPVBBV-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCN1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC000923554092 644495572 /nfs/dbraw/zinc/49/55/72/644495572.db2.gz FDNWHMMQSPVBBV-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCN1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC000923554094 644494018 /nfs/dbraw/zinc/49/40/18/644494018.db2.gz FDNWHMMQSPVBBV-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCN1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000923555359 644497249 /nfs/dbraw/zinc/49/72/49/644497249.db2.gz PDRQBAAPHWYNDL-JTQLQIEISA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CCN1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000923555367 644498233 /nfs/dbraw/zinc/49/82/33/644498233.db2.gz PDRQBAAPHWYNDL-SNVBAGLBSA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CCN1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000923559215 644500595 /nfs/dbraw/zinc/50/05/95/644500595.db2.gz JFLUVGRHTAJPSW-SECBINFHSA-N 1 0 248.290 -0.963 20 30 BBEDRO C#CCN1CCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000923559216 644499969 /nfs/dbraw/zinc/49/99/69/644499969.db2.gz JFLUVGRHTAJPSW-VIFPVBQESA-N 1 0 248.290 -0.963 20 30 BBEDRO C#CCN1CCC[C@@H](NC(=O)[C@@H](C)O)C1 ZINC000923563683 644505198 /nfs/dbraw/zinc/50/51/98/644505198.db2.gz WMQZNBMYEKZBIM-NXEZZACHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCN1CCC[C@H](NC(=O)[C@H](C)O)C1 ZINC000923563685 644503998 /nfs/dbraw/zinc/50/39/98/644503998.db2.gz WMQZNBMYEKZBIM-UWVGGRQHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCN1CCC[C@@H](NC(=O)[C@H](C)O)C1 ZINC000923563686 644504681 /nfs/dbraw/zinc/50/46/81/644504681.db2.gz WMQZNBMYEKZBIM-VHSXEESVSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CCN1CCC[C@H](NC(=O)[C@@H](C)O)C1 ZINC000923563688 644504298 /nfs/dbraw/zinc/50/42/98/644504298.db2.gz WMQZNBMYEKZBIM-ZJUUUORDSA-N 1 0 210.277 -0.419 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923650266 645785497 /nfs/dbraw/zinc/78/54/97/645785497.db2.gz LGROASXHJWDWQQ-WPRPVWTQSA-N 1 0 246.332 -0.531 20 30 BBEDRO N#C[C@H]1CC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923650482 645785706 /nfs/dbraw/zinc/78/57/06/645785706.db2.gz NXUUCKGTMOQORE-JGVFFNPUSA-N 1 0 229.305 -0.430 20 30 BBEDRO C=CCCS(=O)(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923695109 645944912 /nfs/dbraw/zinc/94/49/12/645944912.db2.gz MOZIVIXADAPHKN-JTQLQIEISA-N 1 0 248.348 -0.322 20 30 BBEDRO C=CCCS(=O)(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000923695111 645944565 /nfs/dbraw/zinc/94/45/65/645944565.db2.gz MOZIVIXADAPHKN-SNVBAGLBSA-N 1 0 248.348 -0.322 20 30 BBEDRO C[C@@H]1[C@H](NC(=O)NCC#CCO)CC[N@@H+]1C ZINC000923757807 642118160 /nfs/dbraw/zinc/11/81/60/642118160.db2.gz CDYRXJZBZCQKJF-NXEZZACHSA-N 1 0 225.292 -0.626 20 30 BBEDRO C[C@H]1[C@@H](NC(=O)NCC#CCO)CC[N@@H+]1C ZINC000923757808 642119763 /nfs/dbraw/zinc/11/97/63/642119763.db2.gz CDYRXJZBZCQKJF-UWVGGRQHSA-N 1 0 225.292 -0.626 20 30 BBEDRO C[C@H]1[C@H](NC(=O)NCC#CCO)CC[N@@H+]1C ZINC000923757810 642118554 /nfs/dbraw/zinc/11/85/54/642118554.db2.gz CDYRXJZBZCQKJF-VHSXEESVSA-N 1 0 225.292 -0.626 20 30 BBEDRO C[C@@H]1[C@@H](NC(=O)NCC#CCO)CC[N@@H+]1C ZINC000923757811 642119835 /nfs/dbraw/zinc/11/98/35/642119835.db2.gz CDYRXJZBZCQKJF-ZJUUUORDSA-N 1 0 225.292 -0.626 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)NCC#CCO)CC1 ZINC000923758103 642122041 /nfs/dbraw/zinc/12/20/41/642122041.db2.gz GEJYQVXTTQKAGV-UHFFFAOYSA-N 1 0 249.314 -0.621 20 30 BBEDRO C[NH+](C)C1(CNC(=O)NCC#CCO)CC1 ZINC000923759745 642297409 /nfs/dbraw/zinc/29/74/09/642297409.db2.gz WZYWJLAFMYYUPO-UHFFFAOYSA-N 1 0 225.292 -0.625 20 30 BBEDRO C[N@@H+]1CCN(C(=O)NCC#CCO)CC1(C)C ZINC000923762083 711881524 /nfs/dbraw/zinc/88/15/24/711881524.db2.gz XWXWWMJJNHZGLC-UHFFFAOYSA-N 1 0 239.319 -0.282 20 30 BBEDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCC#CCO ZINC000923762166 642584066 /nfs/dbraw/zinc/58/40/66/642584066.db2.gz YUGONFAWOGRYGM-JTQLQIEISA-N 1 0 225.292 -0.625 20 30 BBEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCC#CCO ZINC000923762167 642583141 /nfs/dbraw/zinc/58/31/41/642583141.db2.gz YUGONFAWOGRYGM-SNVBAGLBSA-N 1 0 225.292 -0.625 20 30 BBEDRO CN(CC1C[NH+](C)C1)C(=O)NCC#CCO ZINC000923762848 635443087 /nfs/dbraw/zinc/44/30/87/635443087.db2.gz PSIXXWNEZDKKMO-UHFFFAOYSA-N 1 0 225.292 -0.815 20 30 BBEDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCC#CCO)C1 ZINC000923763270 632852787 /nfs/dbraw/zinc/85/27/87/632852787.db2.gz XZZFVCBCDDYFDE-LLVKDONJSA-N 1 0 239.319 -0.234 20 30 BBEDRO CCC[N@@H+]1CC[C@H](NC(=O)NCC#CCO)C1 ZINC000923763272 632853456 /nfs/dbraw/zinc/85/34/56/632853456.db2.gz XZZFVCBCDDYFDE-NSHDSACASA-N 1 0 239.319 -0.234 20 30 BBEDRO CC[N@@H+]1CC[C@H](NC(=O)NCC#CCO)C1 ZINC000923763553 645958432 /nfs/dbraw/zinc/95/84/32/645958432.db2.gz NFERVFHIDLIAQL-JTQLQIEISA-N 1 0 225.292 -0.625 20 30 BBEDRO CC[N@@H+]1CC[C@@H](NC(=O)NCC#CCO)C1 ZINC000923763554 645958676 /nfs/dbraw/zinc/95/86/76/645958676.db2.gz NFERVFHIDLIAQL-SNVBAGLBSA-N 1 0 225.292 -0.625 20 30 BBEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCC#CCO ZINC000923763778 632860392 /nfs/dbraw/zinc/86/03/92/632860392.db2.gz BGIYEXIUEQBXSM-JTQLQIEISA-N 1 0 225.292 -0.625 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCC#CCO ZINC000923763780 632859617 /nfs/dbraw/zinc/85/96/17/632859617.db2.gz BGIYEXIUEQBXSM-SNVBAGLBSA-N 1 0 225.292 -0.625 20 30 BBEDRO CCN(C(=O)NCC#CCO)[C@@H]1CC[N@H+](C)C1 ZINC000923764353 632862753 /nfs/dbraw/zinc/86/27/53/632862753.db2.gz KDCAVNSABKSUSE-LLVKDONJSA-N 1 0 239.319 -0.282 20 30 BBEDRO CCN(C(=O)NCC#CCO)[C@H]1CC[N@H+](C)C1 ZINC000923764355 632863363 /nfs/dbraw/zinc/86/33/63/632863363.db2.gz KDCAVNSABKSUSE-NSHDSACASA-N 1 0 239.319 -0.282 20 30 BBEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC#CCO ZINC000923764681 632864809 /nfs/dbraw/zinc/86/48/09/632864809.db2.gz YXWNVMYFKHGJRU-LLVKDONJSA-N 1 0 239.319 -0.282 20 30 BBEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC#CCO ZINC000923764683 632864769 /nfs/dbraw/zinc/86/47/69/632864769.db2.gz YXWNVMYFKHGJRU-NSHDSACASA-N 1 0 239.319 -0.282 20 30 BBEDRO C[C@@H](CCNC(=O)NCC#CCO)[NH+](C)C ZINC000923764965 632866395 /nfs/dbraw/zinc/86/63/95/632866395.db2.gz QXWONYFXOBLEHP-JTQLQIEISA-N 1 0 227.308 -0.379 20 30 BBEDRO C[C@H](CCNC(=O)NCC#CCO)[NH+](C)C ZINC000923764966 632866568 /nfs/dbraw/zinc/86/65/68/632866568.db2.gz QXWONYFXOBLEHP-SNVBAGLBSA-N 1 0 227.308 -0.379 20 30 BBEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC#CCO)C1 ZINC000923765208 632866702 /nfs/dbraw/zinc/86/67/02/632866702.db2.gz VLDDCRIPDVPKTE-PHIMTYICSA-N 1 0 239.319 -0.379 20 30 BBEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC#CCO ZINC000923765494 632872418 /nfs/dbraw/zinc/87/24/18/632872418.db2.gz DPUZNNKJRSNUIK-LLVKDONJSA-N 1 0 239.319 -0.282 20 30 BBEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCC#CCO ZINC000923765495 632872906 /nfs/dbraw/zinc/87/29/06/632872906.db2.gz DPUZNNKJRSNUIK-NSHDSACASA-N 1 0 239.319 -0.282 20 30 BBEDRO C#CC[N@H+](C)CCCNC(=O)NCC#CCO ZINC000923766427 633833441 /nfs/dbraw/zinc/83/34/41/633833441.db2.gz NYMUVBXWXMWCGG-UHFFFAOYSA-N 1 0 237.303 -0.764 20 30 BBEDRO C[C@@H]1CN(C(=O)NCC#CCO)C[C@H](C)[N@H+]1C ZINC000923767067 633834463 /nfs/dbraw/zinc/83/44/63/633834463.db2.gz VVPKQSWIFYXPEN-PHIMTYICSA-N 1 0 239.319 -0.284 20 30 BBEDRO C[NH+](C)CC(C)(C)NC(=O)NCC#CCO ZINC000923768503 633931600 /nfs/dbraw/zinc/93/16/00/633931600.db2.gz MXCBYCOUXVVIFN-UHFFFAOYSA-N 1 0 227.308 -0.379 20 30 BBEDRO C[C@@H](CNC(=O)NCC#CCO)[NH+](C)C ZINC000923768985 633948933 /nfs/dbraw/zinc/94/89/33/633948933.db2.gz SKGJPHABWMTBEY-VIFPVBQESA-N 1 0 213.281 -0.769 20 30 BBEDRO C[C@@H](C[NH+](C)C)NC(=O)NCC#CCO ZINC000923769311 635381224 /nfs/dbraw/zinc/38/12/24/635381224.db2.gz YYAOIKMHOZXTSH-VIFPVBQESA-N 1 0 213.281 -0.769 20 30 BBEDRO O=C(NCC#CCO)NCC[N@H+]1CC=CCC1 ZINC000923770246 635643002 /nfs/dbraw/zinc/64/30/02/635643002.db2.gz OLANPUITWHEJOK-UHFFFAOYSA-N 1 0 237.303 -0.457 20 30 BBEDRO C[NH+](C)C1(CNC(=O)NCC#CCO)CCC1 ZINC000923772158 643502692 /nfs/dbraw/zinc/50/26/92/643502692.db2.gz AYOLNMINFTVYTP-UHFFFAOYSA-N 1 0 239.319 -0.234 20 30 BBEDRO CCN(CCC[NH+](C)C)C(=O)NCC#CCO ZINC000923772208 643502186 /nfs/dbraw/zinc/50/21/86/643502186.db2.gz CHHKRKKHBJIVRZ-UHFFFAOYSA-N 1 0 241.335 -0.035 20 30 BBEDRO CN(CC[N@H+](C)C1CC1)C(=O)NCC#CCO ZINC000923772448 643530187 /nfs/dbraw/zinc/53/01/87/643530187.db2.gz SQVVZILZBZENBJ-UHFFFAOYSA-N 1 0 239.319 -0.282 20 30 BBEDRO CN(CCC[NH+](C)C)C(=O)NCC#CCO ZINC000923774553 711661282 /nfs/dbraw/zinc/66/12/82/711661282.db2.gz ZDSFDEMRINHWBO-UHFFFAOYSA-N 1 0 227.308 -0.425 20 30 BBEDRO CC[N@@H+]1CCCN(C(=O)NCC#CCO)CC1 ZINC000923775928 632737890 /nfs/dbraw/zinc/73/78/90/632737890.db2.gz MNICDIJDCNWUSR-UHFFFAOYSA-N 1 0 239.319 -0.281 20 30 BBEDRO CC(C)N(CC[NH+](C)C)C(=O)NCC#CCO ZINC000923776429 632752097 /nfs/dbraw/zinc/75/20/97/632752097.db2.gz ZXPHAJHYGARRPP-UHFFFAOYSA-N 1 0 241.335 -0.036 20 30 BBEDRO C[N@H+]1CC=C(CNC(=O)NCC#CCO)CC1 ZINC000923776761 632762618 /nfs/dbraw/zinc/76/26/18/632762618.db2.gz JVIUNTOVCZOQBD-UHFFFAOYSA-N 1 0 237.303 -0.457 20 30 BBEDRO C[C@@H]1CN(C(=O)NCC#CCO)C[C@H]1[NH+](C)C ZINC000923776835 632765521 /nfs/dbraw/zinc/76/55/21/632765521.db2.gz LHHQKJFQPATCCO-GHMZBOCLSA-N 1 0 239.319 -0.426 20 30 BBEDRO C[C@@H]1CN(C(=O)NCC#CCO)C[C@@H]1[NH+](C)C ZINC000923776837 632765339 /nfs/dbraw/zinc/76/53/39/632765339.db2.gz LHHQKJFQPATCCO-MNOVXSKESA-N 1 0 239.319 -0.426 20 30 BBEDRO C[C@H]1CN(C(=O)NCC#CCO)C[C@@H]1[NH+](C)C ZINC000923776839 632764268 /nfs/dbraw/zinc/76/42/68/632764268.db2.gz LHHQKJFQPATCCO-QWRGUYRKSA-N 1 0 239.319 -0.426 20 30 BBEDRO C[C@H]1CN(C(=O)NCC#CCO)C[C@H]1[NH+](C)C ZINC000923776841 632766018 /nfs/dbraw/zinc/76/60/18/632766018.db2.gz LHHQKJFQPATCCO-WDEREUQCSA-N 1 0 239.319 -0.426 20 30 BBEDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC#CCO)C1 ZINC000923777033 632782306 /nfs/dbraw/zinc/78/23/06/632782306.db2.gz NIJXWMKSCVVTRB-GHMZBOCLSA-N 1 0 239.319 -0.379 20 30 BBEDRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC#CCO)C1 ZINC000923777036 632782048 /nfs/dbraw/zinc/78/20/48/632782048.db2.gz NIJXWMKSCVVTRB-MNOVXSKESA-N 1 0 239.319 -0.379 20 30 BBEDRO CC[N@H+]1C[C@H](NC(=O)NCC#CCO)[C@@H](C)C1 ZINC000923777041 632782037 /nfs/dbraw/zinc/78/20/37/632782037.db2.gz NIJXWMKSCVVTRB-QWRGUYRKSA-N 1 0 239.319 -0.379 20 30 BBEDRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC#CCO)C1 ZINC000923777044 632782313 /nfs/dbraw/zinc/78/23/13/632782313.db2.gz NIJXWMKSCVVTRB-WDEREUQCSA-N 1 0 239.319 -0.379 20 30 BBEDRO CN(CC[NH+](C)C)C(=O)NCC#CCO ZINC000923778608 632811031 /nfs/dbraw/zinc/81/10/31/632811031.db2.gz YAXGLFYBADPEGZ-UHFFFAOYSA-N 1 0 213.281 -0.815 20 30 BBEDRO C[C@@H]1C[C@H](NC(=O)NCC#CCO)CC[N@@H+]1C ZINC000923778781 632812901 /nfs/dbraw/zinc/81/29/01/632812901.db2.gz DDUKZKXMZXNFSB-GHMZBOCLSA-N 1 0 239.319 -0.236 20 30 BBEDRO C[C@@H]1C[C@@H](NC(=O)NCC#CCO)CC[N@@H+]1C ZINC000923778782 632812568 /nfs/dbraw/zinc/81/25/68/632812568.db2.gz DDUKZKXMZXNFSB-MNOVXSKESA-N 1 0 239.319 -0.236 20 30 BBEDRO C[C@H]1C[C@@H](NC(=O)NCC#CCO)CC[N@@H+]1C ZINC000923778783 632813368 /nfs/dbraw/zinc/81/33/68/632813368.db2.gz DDUKZKXMZXNFSB-QWRGUYRKSA-N 1 0 239.319 -0.236 20 30 BBEDRO C[C@H]1C[C@H](NC(=O)NCC#CCO)CC[N@@H+]1C ZINC000923778784 632813180 /nfs/dbraw/zinc/81/31/80/632813180.db2.gz DDUKZKXMZXNFSB-WDEREUQCSA-N 1 0 239.319 -0.236 20 30 BBEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC#CCO ZINC000923778819 632812785 /nfs/dbraw/zinc/81/27/85/632812785.db2.gz FFGUTXXJABFEKX-LLVKDONJSA-N 1 0 239.319 -0.234 20 30 BBEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCC#CCO ZINC000923778820 632813237 /nfs/dbraw/zinc/81/32/37/632813237.db2.gz FFGUTXXJABFEKX-NSHDSACASA-N 1 0 239.319 -0.234 20 30 BBEDRO O=C(NCC#CCO)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000923779088 632814911 /nfs/dbraw/zinc/81/49/11/632814911.db2.gz KWJUYYIXNMNXCL-GFCCVEGCSA-N 1 0 249.314 -0.362 20 30 BBEDRO O=C(NCC#CCO)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000923779089 632814519 /nfs/dbraw/zinc/81/45/19/632814519.db2.gz KWJUYYIXNMNXCL-LBPRGKRZSA-N 1 0 249.314 -0.362 20 30 BBEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC#CCO)C1 ZINC000923779807 632830287 /nfs/dbraw/zinc/83/02/87/632830287.db2.gz LKYLNEGTFLWRRP-LLVKDONJSA-N 1 0 239.319 -0.377 20 30 BBEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC#CCO)C1 ZINC000923779808 632832120 /nfs/dbraw/zinc/83/21/20/632832120.db2.gz LKYLNEGTFLWRRP-NSHDSACASA-N 1 0 239.319 -0.377 20 30 BBEDRO C[NH+]1CCC(CNC(=O)NCC#CCO)CC1 ZINC000923779883 632831403 /nfs/dbraw/zinc/83/14/03/632831403.db2.gz MXBFRUJSUUPWMF-UHFFFAOYSA-N 1 0 239.319 -0.377 20 30 BBEDRO O=C(NCC#CCO)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000923780163 632837988 /nfs/dbraw/zinc/83/79/88/632837988.db2.gz CULLDWFGDBTKOR-LLVKDONJSA-N 1 0 237.303 -0.528 20 30 BBEDRO O=C(NCC#CCO)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000923780164 632837969 /nfs/dbraw/zinc/83/79/69/632837969.db2.gz CULLDWFGDBTKOR-NSHDSACASA-N 1 0 237.303 -0.528 20 30 BBEDRO C[C@@H](CNC(=O)NCC#CCO)[N@H+](C)C1CC1 ZINC000923780389 632838025 /nfs/dbraw/zinc/83/80/25/632838025.db2.gz QIPIUMKVAKJUBN-JTQLQIEISA-N 1 0 239.319 -0.236 20 30 BBEDRO C[C@H](CNC(=O)NCC#CCO)[N@H+](C)C1CC1 ZINC000923780390 632838174 /nfs/dbraw/zinc/83/81/74/632838174.db2.gz QIPIUMKVAKJUBN-SNVBAGLBSA-N 1 0 239.319 -0.236 20 30 BBEDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)NCC#CCO ZINC000923780670 632848592 /nfs/dbraw/zinc/84/85/92/632848592.db2.gz SWQMJGQQHOFIOA-LLVKDONJSA-N 1 0 239.319 -0.425 20 30 BBEDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)NCC#CCO ZINC000923780671 632845578 /nfs/dbraw/zinc/84/55/78/632845578.db2.gz SWQMJGQQHOFIOA-NSHDSACASA-N 1 0 239.319 -0.425 20 30 BBEDRO C[N@H+](CCNC(=O)NCC#CCO)C1CC1 ZINC000923780821 632867828 /nfs/dbraw/zinc/86/78/28/632867828.db2.gz LPOVDDBAILBCIX-UHFFFAOYSA-N 1 0 225.292 -0.625 20 30 BBEDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCC#CCO)C1 ZINC000923780968 632866565 /nfs/dbraw/zinc/86/65/65/632866565.db2.gz XYESYXBUCPRUJU-LLVKDONJSA-N 1 0 239.319 -0.282 20 30 BBEDRO C[NH+](C)[C@H]1CCCN(C(=O)NCC#CCO)C1 ZINC000923780970 632866261 /nfs/dbraw/zinc/86/62/61/632866261.db2.gz XYESYXBUCPRUJU-NSHDSACASA-N 1 0 239.319 -0.282 20 30 BBEDRO O=C(NCC#CCO)NCCNc1cc[nH+]cc1 ZINC000923781028 632866117 /nfs/dbraw/zinc/86/61/17/632866117.db2.gz YOBDMYKLFFBUEZ-UHFFFAOYSA-N 1 0 248.286 -0.790 20 30 BBEDRO CN(CC[NH+]1CCCC1)C(=O)NCC#CCO ZINC000923781071 632867067 /nfs/dbraw/zinc/86/70/67/632867067.db2.gz OQFTZYBFRALLFB-UHFFFAOYSA-N 1 0 239.319 -0.281 20 30 BBEDRO O=C(NCC#CCO)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000923781108 632867406 /nfs/dbraw/zinc/86/74/06/632867406.db2.gz OXJDCAQOURBBGF-JTQLQIEISA-N 1 0 237.303 -0.482 20 30 BBEDRO O=C(NCC#CCO)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000923781114 632867749 /nfs/dbraw/zinc/86/77/49/632867749.db2.gz OXJDCAQOURBBGF-SNVBAGLBSA-N 1 0 237.303 -0.482 20 30 BBEDRO CC[N@H+](CCNC(=O)NCC#CCO)C1CC1 ZINC000923782416 632882843 /nfs/dbraw/zinc/88/28/43/632882843.db2.gz PJVBBURMLSKACD-UHFFFAOYSA-N 1 0 239.319 -0.234 20 30 BBEDRO C[C@@H](CC[NH+](C)C)NC(=O)NCC#CCO ZINC000923782483 632883464 /nfs/dbraw/zinc/88/34/64/632883464.db2.gz QJVZYYPBVDZEFD-JTQLQIEISA-N 1 0 227.308 -0.379 20 30 BBEDRO C[C@H](CC[NH+](C)C)NC(=O)NCC#CCO ZINC000923782484 632883361 /nfs/dbraw/zinc/88/33/61/632883361.db2.gz QJVZYYPBVDZEFD-SNVBAGLBSA-N 1 0 227.308 -0.379 20 30 BBEDRO CC(C)[N@H+](C)CCNC(=O)NCC#CCO ZINC000923782523 632882811 /nfs/dbraw/zinc/88/28/11/632882811.db2.gz RSNRBYKBBGUPJZ-UHFFFAOYSA-N 1 0 227.308 -0.379 20 30 BBEDRO C[NH+](C)[C@H]1CCN(C(=O)NCC#CCO)C1 ZINC000923782600 632884561 /nfs/dbraw/zinc/88/45/61/632884561.db2.gz PNWYRVDTZYEJIJ-JTQLQIEISA-N 1 0 225.292 -0.672 20 30 BBEDRO C[NH+](C)[C@@H]1CCN(C(=O)NCC#CCO)C1 ZINC000923782605 632885227 /nfs/dbraw/zinc/88/52/27/632885227.db2.gz PNWYRVDTZYEJIJ-SNVBAGLBSA-N 1 0 225.292 -0.672 20 30 BBEDRO C[N@@H+]1CCC[C@H](NC(=O)NCC#CCO)C1 ZINC000923785054 632914676 /nfs/dbraw/zinc/91/46/76/632914676.db2.gz FXWUWTKSHXEZMV-JTQLQIEISA-N 1 0 225.292 -0.625 20 30 BBEDRO C[N@@H+]1CCC[C@@H](NC(=O)NCC#CCO)C1 ZINC000923785055 632915957 /nfs/dbraw/zinc/91/59/57/632915957.db2.gz FXWUWTKSHXEZMV-SNVBAGLBSA-N 1 0 225.292 -0.625 20 30 BBEDRO CC(C)[NH+]1CCN(C(=O)NCC#CCO)CC1 ZINC000923787323 632960345 /nfs/dbraw/zinc/96/03/45/632960345.db2.gz GAFSJNKDZUAKLK-UHFFFAOYSA-N 1 0 239.319 -0.282 20 30 BBEDRO C[NH+]1CCC(NC(=O)NCC#CCO)CC1 ZINC000923788227 632989004 /nfs/dbraw/zinc/98/90/04/632989004.db2.gz HDJPJEFFTGJFMI-UHFFFAOYSA-N 1 0 225.292 -0.625 20 30 BBEDRO O=C(NCC#CCO)NCC[NH+]1CCCCC1 ZINC000923788549 632998329 /nfs/dbraw/zinc/99/83/29/632998329.db2.gz MWPDPHWWXOHPEK-UHFFFAOYSA-N 1 0 239.319 -0.233 20 30 BBEDRO CC[NH+]1CCC(NC(=O)NCC#CCO)CC1 ZINC000923789096 633094994 /nfs/dbraw/zinc/09/49/94/633094994.db2.gz PKSGTRAOVKRVMJ-UHFFFAOYSA-N 1 0 239.319 -0.234 20 30 BBEDRO C[N@@H+]1CCCN(C(=O)NCC#CCO)CC1 ZINC000923790527 633826827 /nfs/dbraw/zinc/82/68/27/633826827.db2.gz XVLDENQCXDYZNJ-UHFFFAOYSA-N 1 0 225.292 -0.671 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1COC[C@H]1O ZINC000923833762 642163742 /nfs/dbraw/zinc/16/37/42/642163742.db2.gz LNCYXQUUFWNFMN-GHMZBOCLSA-N 1 0 242.319 -0.288 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1COC[C@H]1O ZINC000923839944 642261880 /nfs/dbraw/zinc/26/18/80/642261880.db2.gz SHRXVCLHSYLMHT-NXEZZACHSA-N 1 0 228.292 -0.678 20 30 BBEDRO C#CC[C@H](CO)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000924021175 642342074 /nfs/dbraw/zinc/34/20/74/642342074.db2.gz HCYDPNNQDHUTIB-GHMZBOCLSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000924021180 642343897 /nfs/dbraw/zinc/34/38/97/642343897.db2.gz HCYDPNNQDHUTIB-MNOVXSKESA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000924021182 642342258 /nfs/dbraw/zinc/34/22/58/642342258.db2.gz HCYDPNNQDHUTIB-QWRGUYRKSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CC[C@@H](CO)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000924021185 642342474 /nfs/dbraw/zinc/34/24/74/642342474.db2.gz HCYDPNNQDHUTIB-WDEREUQCSA-N 1 0 239.319 -0.236 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCN1CCNC1=O ZINC000924246332 646012919 /nfs/dbraw/zinc/01/29/19/646012919.db2.gz CTRNNFDCCZHHKC-UHFFFAOYSA-N 1 0 240.307 -0.754 20 30 BBEDRO C#CCCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924665448 646089059 /nfs/dbraw/zinc/08/90/59/646089059.db2.gz UEEOGYWJFVJEQI-SECBINFHSA-N 1 0 223.276 -0.118 20 30 BBEDRO C#CCCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924665449 646088202 /nfs/dbraw/zinc/08/82/02/646088202.db2.gz UEEOGYWJFVJEQI-VIFPVBQESA-N 1 0 223.276 -0.118 20 30 BBEDRO C#CCOCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924668315 646087982 /nfs/dbraw/zinc/08/79/82/646087982.db2.gz SYTPHVRICLLSTQ-SECBINFHSA-N 1 0 239.275 -0.882 20 30 BBEDRO C#CCOCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924668316 646088488 /nfs/dbraw/zinc/08/84/88/646088488.db2.gz SYTPHVRICLLSTQ-VIFPVBQESA-N 1 0 239.275 -0.882 20 30 BBEDRO C=CCOCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924733585 646097534 /nfs/dbraw/zinc/09/75/34/646097534.db2.gz GXSAEJZXPKALBY-SECBINFHSA-N 1 0 241.291 -0.329 20 30 BBEDRO C=CCOCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924733586 646096779 /nfs/dbraw/zinc/09/67/79/646096779.db2.gz GXSAEJZXPKALBY-VIFPVBQESA-N 1 0 241.291 -0.329 20 30 BBEDRO C[C@H](C#N)CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924847629 646117604 /nfs/dbraw/zinc/11/76/04/646117604.db2.gz PMEBPWRMBZNBHD-HTQZYQBOSA-N 1 0 224.264 -0.372 20 30 BBEDRO C[C@@H](C#N)CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924847634 646117454 /nfs/dbraw/zinc/11/74/54/646117454.db2.gz PMEBPWRMBZNBHD-JGVFFNPUSA-N 1 0 224.264 -0.372 20 30 BBEDRO C[C@H](C#N)CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924847636 646116731 /nfs/dbraw/zinc/11/67/31/646116731.db2.gz PMEBPWRMBZNBHD-SFYZADRCSA-N 1 0 224.264 -0.372 20 30 BBEDRO C[C@@H](C#N)CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924847640 646117881 /nfs/dbraw/zinc/11/78/81/646117881.db2.gz PMEBPWRMBZNBHD-YUMQZZPRSA-N 1 0 224.264 -0.372 20 30 BBEDRO CC#CCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924849613 640198011 /nfs/dbraw/zinc/19/80/11/640198011.db2.gz NRCNNUMCXHRUDF-SECBINFHSA-N 1 0 223.276 -0.118 20 30 BBEDRO CC#CCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924849615 640198876 /nfs/dbraw/zinc/19/88/76/640198876.db2.gz NRCNNUMCXHRUDF-VIFPVBQESA-N 1 0 223.276 -0.118 20 30 BBEDRO C[NH+](C)C[C@H]1NC(=O)N(CCC#N)C1=O ZINC000924849845 640205236 /nfs/dbraw/zinc/20/52/36/640205236.db2.gz OWKYOUSSAWVYJQ-SSDOTTSWSA-N 1 0 210.237 -0.618 20 30 BBEDRO C[NH+](C)C[C@@H]1NC(=O)N(CCC#N)C1=O ZINC000924849849 640204462 /nfs/dbraw/zinc/20/44/62/640204462.db2.gz OWKYOUSSAWVYJQ-ZETCQYMHSA-N 1 0 210.237 -0.618 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924872107 646121353 /nfs/dbraw/zinc/12/13/53/646121353.db2.gz FHKBDMQOMXZFRL-JTQLQIEISA-N 1 0 237.303 -0.760 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924872115 646122357 /nfs/dbraw/zinc/12/23/57/646122357.db2.gz FHKBDMQOMXZFRL-SNVBAGLBSA-N 1 0 237.303 -0.760 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1COC[C@H]1C ZINC000924874685 646123600 /nfs/dbraw/zinc/12/36/00/646123600.db2.gz SJKMIZFFADKVEH-NXEZZACHSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1COC[C@@H]1C ZINC000924874686 646123153 /nfs/dbraw/zinc/12/31/53/646123153.db2.gz SJKMIZFFADKVEH-UWVGGRQHSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1COC[C@@H]1C ZINC000924874687 646123685 /nfs/dbraw/zinc/12/36/85/646123685.db2.gz SJKMIZFFADKVEH-VHSXEESVSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@H]1COC[C@H]1C ZINC000924874688 646123279 /nfs/dbraw/zinc/12/32/79/646123279.db2.gz SJKMIZFFADKVEH-ZJUUUORDSA-N 1 0 210.277 -0.250 20 30 BBEDRO C=CCCON1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924881785 635708388 /nfs/dbraw/zinc/70/83/88/635708388.db2.gz MVGQZZQLDZHOBV-MRVPVSSYSA-N 1 0 227.264 -0.024 20 30 BBEDRO C=CCCON1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924881786 635708920 /nfs/dbraw/zinc/70/89/20/635708920.db2.gz MVGQZZQLDZHOBV-QMMMGPOBSA-N 1 0 227.264 -0.024 20 30 BBEDRO C#CCON1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924887440 646126338 /nfs/dbraw/zinc/12/63/38/646126338.db2.gz AHZWLTRMSITBIF-SSDOTTSWSA-N 1 0 211.221 -0.967 20 30 BBEDRO C#CCON1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924887447 646126269 /nfs/dbraw/zinc/12/62/69/646126269.db2.gz AHZWLTRMSITBIF-ZETCQYMHSA-N 1 0 211.221 -0.967 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](F)C(=O)OC ZINC000924935757 635786342 /nfs/dbraw/zinc/78/63/42/635786342.db2.gz CISIXJWRBSMDHB-QMMMGPOBSA-N 1 0 232.255 -0.269 20 30 BBEDRO C=C(C)CON1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924957614 635805882 /nfs/dbraw/zinc/80/58/82/635805882.db2.gz DAOXOXAJCPIRDE-MRVPVSSYSA-N 1 0 227.264 -0.024 20 30 BBEDRO C=C(C)CON1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924957615 635805692 /nfs/dbraw/zinc/80/56/92/635805692.db2.gz DAOXOXAJCPIRDE-QMMMGPOBSA-N 1 0 227.264 -0.024 20 30 BBEDRO C=C[C@@H](C)ON1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924962109 646143724 /nfs/dbraw/zinc/14/37/24/646143724.db2.gz WKQCWWFBJLPSLC-HTQZYQBOSA-N 1 0 227.264 -0.026 20 30 BBEDRO C=C[C@H](C)ON1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924962125 646144013 /nfs/dbraw/zinc/14/40/13/646144013.db2.gz WKQCWWFBJLPSLC-JGVFFNPUSA-N 1 0 227.264 -0.026 20 30 BBEDRO C=C[C@@H](C)ON1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924962126 646144408 /nfs/dbraw/zinc/14/44/08/646144408.db2.gz WKQCWWFBJLPSLC-SFYZADRCSA-N 1 0 227.264 -0.026 20 30 BBEDRO C=C[C@H](C)ON1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924962129 646144716 /nfs/dbraw/zinc/14/47/16/646144716.db2.gz WKQCWWFBJLPSLC-YUMQZZPRSA-N 1 0 227.264 -0.026 20 30 BBEDRO C[C@H](CC#N)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924978544 646147062 /nfs/dbraw/zinc/14/70/62/646147062.db2.gz WOUJDZURUKJJAI-BBBLOLIVSA-N 1 0 225.292 -0.283 20 30 BBEDRO C[C@H](CC#N)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924978545 646147748 /nfs/dbraw/zinc/14/77/48/646147748.db2.gz WOUJDZURUKJJAI-KXUCPTDWSA-N 1 0 225.292 -0.283 20 30 BBEDRO C[C@H](CC#N)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924978546 646147181 /nfs/dbraw/zinc/14/71/81/646147181.db2.gz WOUJDZURUKJJAI-OPRDCNLKSA-N 1 0 225.292 -0.283 20 30 BBEDRO C[C@H](CC#N)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924978547 646146423 /nfs/dbraw/zinc/14/64/23/646146423.db2.gz WOUJDZURUKJJAI-UTLUCORTSA-N 1 0 225.292 -0.283 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C#CC1CC1 ZINC000924981197 646150363 /nfs/dbraw/zinc/15/03/63/646150363.db2.gz WIIUBUSWYFHSFY-GHMZBOCLSA-N 1 0 222.288 -0.419 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C#CC1CC1 ZINC000924981199 646150164 /nfs/dbraw/zinc/15/01/64/646150164.db2.gz WIIUBUSWYFHSFY-MNOVXSKESA-N 1 0 222.288 -0.419 20 30 BBEDRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)C#CC1CC1 ZINC000924981201 646149359 /nfs/dbraw/zinc/14/93/59/646149359.db2.gz WIIUBUSWYFHSFY-QWRGUYRKSA-N 1 0 222.288 -0.419 20 30 BBEDRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)C#CC1CC1 ZINC000924981202 646148679 /nfs/dbraw/zinc/14/86/79/646148679.db2.gz WIIUBUSWYFHSFY-WDEREUQCSA-N 1 0 222.288 -0.419 20 30 BBEDRO C[N@H+](CCO)CCNC(=O)c1cnccc1C#N ZINC000924996788 646155589 /nfs/dbraw/zinc/15/55/89/646155589.db2.gz BXNJYQSSEDTWPV-UHFFFAOYSA-N 1 0 248.286 -0.393 20 30 BBEDRO C[C@H](CC#N)C(=O)NCC[N@H+](C)CCO ZINC000925005181 646154440 /nfs/dbraw/zinc/15/44/40/646154440.db2.gz ZGAMDTYZLYYQKJ-SECBINFHSA-N 1 0 213.281 -0.424 20 30 BBEDRO C[C@@H](CC#N)C(=O)NCC[N@H+](C)CCO ZINC000925005182 646153724 /nfs/dbraw/zinc/15/37/24/646153724.db2.gz ZGAMDTYZLYYQKJ-VIFPVBQESA-N 1 0 213.281 -0.424 20 30 BBEDRO CC(C)C#CC(=O)NCC[N@H+](C)CCO ZINC000925006252 711768327 /nfs/dbraw/zinc/76/83/27/711768327.db2.gz WUDUPMXREUCIQJ-UHFFFAOYSA-N 1 0 212.293 -0.314 20 30 BBEDRO C#CC[N@@H+](C)CCCN1C(=O)CN(C)C1=O ZINC000925305594 646234156 /nfs/dbraw/zinc/23/41/56/646234156.db2.gz CSPYDMIFGNGHAL-UHFFFAOYSA-N 1 0 223.276 -0.165 20 30 BBEDRO C#CC[N@@H+](C)CCCN1C(=O)N[C@H](C)C1=O ZINC000925309208 646237649 /nfs/dbraw/zinc/23/76/49/646237649.db2.gz XOVPCEHEFDNYSX-SECBINFHSA-N 1 0 223.276 -0.118 20 30 BBEDRO C#CC[N@@H+](C)CCCN1C(=O)N[C@@H](C)C1=O ZINC000925309209 646236948 /nfs/dbraw/zinc/23/69/48/646236948.db2.gz XOVPCEHEFDNYSX-VIFPVBQESA-N 1 0 223.276 -0.118 20 30 BBEDRO C#CC[C@H]1NC(=O)N(CCC[N@@H+](C)CC#C)C1=O ZINC000925312580 646235754 /nfs/dbraw/zinc/23/57/54/646235754.db2.gz IEMZBPJTESNZOK-LLVKDONJSA-N 1 0 247.298 -0.115 20 30 BBEDRO C#CC[C@@H]1NC(=O)N(CCC[N@@H+](C)CC#C)C1=O ZINC000925312583 646233425 /nfs/dbraw/zinc/23/34/25/646233425.db2.gz IEMZBPJTESNZOK-NSHDSACASA-N 1 0 247.298 -0.115 20 30 BBEDRO C#CC[N@H+](C)CCCN1C(=O)N[C@H](CF)C1=O ZINC000925313871 646236139 /nfs/dbraw/zinc/23/61/39/646236139.db2.gz QUGWWUMRNYBIFW-SECBINFHSA-N 1 0 241.266 -0.169 20 30 BBEDRO C#CC[N@H+](C)CCCN1C(=O)N[C@@H](CF)C1=O ZINC000925313872 646236847 /nfs/dbraw/zinc/23/68/47/646236847.db2.gz QUGWWUMRNYBIFW-VIFPVBQESA-N 1 0 241.266 -0.169 20 30 BBEDRO C[NH+](C)C[C@H]1NC(=O)N(CC2(C#N)CC2)C1=O ZINC000925321224 646238974 /nfs/dbraw/zinc/23/89/74/646238974.db2.gz RBDKMUPBVSRIGZ-MRVPVSSYSA-N 1 0 236.275 -0.228 20 30 BBEDRO C[NH+](C)C[C@@H]1NC(=O)N(CC2(C#N)CC2)C1=O ZINC000925321225 646240127 /nfs/dbraw/zinc/24/01/27/646240127.db2.gz RBDKMUPBVSRIGZ-QMMMGPOBSA-N 1 0 236.275 -0.228 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925341935 643586715 /nfs/dbraw/zinc/58/67/15/643586715.db2.gz KFGWPABFAYWBNS-BBBLOLIVSA-N 1 0 227.308 -0.075 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925341937 643588726 /nfs/dbraw/zinc/58/87/26/643588726.db2.gz KFGWPABFAYWBNS-IVZWLZJFSA-N 1 0 227.308 -0.075 20 30 BBEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925341939 643587939 /nfs/dbraw/zinc/58/79/39/643587939.db2.gz KFGWPABFAYWBNS-OPRDCNLKSA-N 1 0 227.308 -0.075 20 30 BBEDRO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925347501 646247583 /nfs/dbraw/zinc/24/75/83/646247583.db2.gz YWTUWOUOJARMNW-AXFHLTTASA-N 1 0 239.319 -0.238 20 30 BBEDRO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925347504 646248526 /nfs/dbraw/zinc/24/85/26/646248526.db2.gz YWTUWOUOJARMNW-GMTAPVOTSA-N 1 0 239.319 -0.238 20 30 BBEDRO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925347508 646246472 /nfs/dbraw/zinc/24/64/72/646246472.db2.gz YWTUWOUOJARMNW-HBNTYKKESA-N 1 0 239.319 -0.238 20 30 BBEDRO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925347511 646246717 /nfs/dbraw/zinc/24/67/17/646246717.db2.gz YWTUWOUOJARMNW-MXWKQRLJSA-N 1 0 239.319 -0.238 20 30 BBEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCO[C@H](C#N)C1 ZINC000925410318 641697046 /nfs/dbraw/zinc/69/70/46/641697046.db2.gz ZYEMPJRJCKUHJM-NXEZZACHSA-N 1 0 238.291 -0.376 20 30 BBEDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCO[C@@H](C#N)C1 ZINC000925410319 641696527 /nfs/dbraw/zinc/69/65/27/641696527.db2.gz ZYEMPJRJCKUHJM-UWVGGRQHSA-N 1 0 238.291 -0.376 20 30 BBEDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCO[C@H](C#N)C1 ZINC000925410320 641697020 /nfs/dbraw/zinc/69/70/20/641697020.db2.gz ZYEMPJRJCKUHJM-VHSXEESVSA-N 1 0 238.291 -0.376 20 30 BBEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCO[C@@H](C#N)C1 ZINC000925410321 641696486 /nfs/dbraw/zinc/69/64/86/641696486.db2.gz ZYEMPJRJCKUHJM-ZJUUUORDSA-N 1 0 238.291 -0.376 20 30 BBEDRO C=CC[C@H](CO)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925414546 646269618 /nfs/dbraw/zinc/26/96/18/646269618.db2.gz NUWUXFUKILWPHF-NXEZZACHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925414547 646267102 /nfs/dbraw/zinc/26/71/02/646267102.db2.gz NUWUXFUKILWPHF-UWVGGRQHSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=CC[C@@H](CO)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925414548 646268396 /nfs/dbraw/zinc/26/83/96/646268396.db2.gz NUWUXFUKILWPHF-VHSXEESVSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925414550 646266777 /nfs/dbraw/zinc/26/67/77/646266777.db2.gz NUWUXFUKILWPHF-ZJUUUORDSA-N 1 0 227.308 -0.073 20 30 BBEDRO C=CCNC(=O)CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925416238 641740816 /nfs/dbraw/zinc/74/08/16/641740816.db2.gz VYIUXEVADJYEEG-SECBINFHSA-N 1 0 240.307 -0.708 20 30 BBEDRO C=CCNC(=O)CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925416245 641742635 /nfs/dbraw/zinc/74/26/35/641742635.db2.gz VYIUXEVADJYEEG-VIFPVBQESA-N 1 0 240.307 -0.708 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925423576 646276626 /nfs/dbraw/zinc/27/66/26/646276626.db2.gz GXMKTUSOWMTQQJ-GHMZBOCLSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CCC[C@H](O)CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925423577 646275531 /nfs/dbraw/zinc/27/55/31/646275531.db2.gz GXMKTUSOWMTQQJ-MNOVXSKESA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CCC[C@H](O)CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925423579 646274671 /nfs/dbraw/zinc/27/46/71/646274671.db2.gz GXMKTUSOWMTQQJ-QWRGUYRKSA-N 1 0 239.319 -0.236 20 30 BBEDRO C#CCC[C@@H](O)CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925423581 646276406 /nfs/dbraw/zinc/27/64/06/646276406.db2.gz GXMKTUSOWMTQQJ-WDEREUQCSA-N 1 0 239.319 -0.236 20 30 BBEDRO CC#CC[C@H](CO)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925428199 641923710 /nfs/dbraw/zinc/92/37/10/641923710.db2.gz FFKSWAHURYFNQA-GHMZBOCLSA-N 1 0 239.319 -0.236 20 30 BBEDRO CC#CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925428201 641923277 /nfs/dbraw/zinc/92/32/77/641923277.db2.gz FFKSWAHURYFNQA-MNOVXSKESA-N 1 0 239.319 -0.236 20 30 BBEDRO CC#CC[C@@H](CO)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925428203 641923659 /nfs/dbraw/zinc/92/36/59/641923659.db2.gz FFKSWAHURYFNQA-QWRGUYRKSA-N 1 0 239.319 -0.236 20 30 BBEDRO CC#CC[C@@H](CO)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925428205 641925125 /nfs/dbraw/zinc/92/51/25/641925125.db2.gz FFKSWAHURYFNQA-WDEREUQCSA-N 1 0 239.319 -0.236 20 30 BBEDRO C=C[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925434425 646281502 /nfs/dbraw/zinc/28/15/02/646281502.db2.gz KFEYOHJDSBOOFK-BDAKNGLRSA-N 1 0 213.281 -0.463 20 30 BBEDRO C=C[C@H](CO)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925434426 646281877 /nfs/dbraw/zinc/28/18/77/646281877.db2.gz KFEYOHJDSBOOFK-RKDXNWHRSA-N 1 0 213.281 -0.463 20 30 BBEDRO N#CCN1CCC([NH2+][C@@H]2CNCCOC2)CC1 ZINC000925607835 634139155 /nfs/dbraw/zinc/13/91/55/634139155.db2.gz DORHJTPUKWNEEP-GFCCVEGCSA-N 1 0 238.335 -0.448 20 30 BBEDRO N#CCN1CCC([NH2+][C@H]2CNCCOC2)CC1 ZINC000925607840 634139920 /nfs/dbraw/zinc/13/99/20/634139920.db2.gz DORHJTPUKWNEEP-LBPRGKRZSA-N 1 0 238.335 -0.448 20 30 BBEDRO C=CCOCCN[C@H]1C[NH2+]CCOC1 ZINC000925630397 646376543 /nfs/dbraw/zinc/37/65/43/646376543.db2.gz AOJIMINGBMGUND-JTQLQIEISA-N 1 0 200.282 -0.233 20 30 BBEDRO C=CCOCCN[C@@H]1C[NH2+]CCOC1 ZINC000925630398 646376317 /nfs/dbraw/zinc/37/63/17/646376317.db2.gz AOJIMINGBMGUND-SNVBAGLBSA-N 1 0 200.282 -0.233 20 30 BBEDRO C=CC[C@H](CO)N[C@@H]1C[NH2+]CCOC1 ZINC000925647984 646390590 /nfs/dbraw/zinc/39/05/90/646390590.db2.gz LOIKFWMDRHWYSI-NXEZZACHSA-N 1 0 200.282 -0.499 20 30 BBEDRO C=CC[C@@H](CO)N[C@H]1C[NH2+]CCOC1 ZINC000925647985 646389262 /nfs/dbraw/zinc/38/92/62/646389262.db2.gz LOIKFWMDRHWYSI-UWVGGRQHSA-N 1 0 200.282 -0.499 20 30 BBEDRO C=CC[C@@H](CO)N[C@@H]1C[NH2+]CCOC1 ZINC000925647986 646388739 /nfs/dbraw/zinc/38/87/39/646388739.db2.gz LOIKFWMDRHWYSI-VHSXEESVSA-N 1 0 200.282 -0.499 20 30 BBEDRO C=CC[C@H](CO)N[C@H]1C[NH2+]CCOC1 ZINC000925647987 646390089 /nfs/dbraw/zinc/39/00/89/646390089.db2.gz LOIKFWMDRHWYSI-ZJUUUORDSA-N 1 0 200.282 -0.499 20 30 BBEDRO CC#CC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000925650484 646389448 /nfs/dbraw/zinc/38/94/48/646389448.db2.gz PHOCOUOUWSRPNM-JTQLQIEISA-N 1 0 222.288 -0.106 20 30 BBEDRO CC#CC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000925650485 646390486 /nfs/dbraw/zinc/39/04/86/646390486.db2.gz PHOCOUOUWSRPNM-SNVBAGLBSA-N 1 0 222.288 -0.106 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925683367 646404806 /nfs/dbraw/zinc/40/48/06/646404806.db2.gz PJLHPLGPANWFLL-AXFHLTTASA-N 1 0 212.293 -0.092 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925683368 646407322 /nfs/dbraw/zinc/40/73/22/646407322.db2.gz PJLHPLGPANWFLL-MXWKQRLJSA-N 1 0 212.293 -0.092 20 30 BBEDRO C=CCC[C@H](CO)N[C@@H]1C[NH2+]CCOC1 ZINC000925692285 646418305 /nfs/dbraw/zinc/41/83/05/646418305.db2.gz OCQWVVZVOOYUMA-GHMZBOCLSA-N 1 0 214.309 -0.109 20 30 BBEDRO C=CCC[C@H](CO)N[C@H]1C[NH2+]CCOC1 ZINC000925692288 646418473 /nfs/dbraw/zinc/41/84/73/646418473.db2.gz OCQWVVZVOOYUMA-MNOVXSKESA-N 1 0 214.309 -0.109 20 30 BBEDRO C=CCC[C@@H](CO)N[C@H]1C[NH2+]CCOC1 ZINC000925692290 646417873 /nfs/dbraw/zinc/41/78/73/646417873.db2.gz OCQWVVZVOOYUMA-QWRGUYRKSA-N 1 0 214.309 -0.109 20 30 BBEDRO C=CCC[C@@H](CO)N[C@@H]1C[NH2+]CCOC1 ZINC000925692292 646418576 /nfs/dbraw/zinc/41/85/76/646418576.db2.gz OCQWVVZVOOYUMA-WDEREUQCSA-N 1 0 214.309 -0.109 20 30 BBEDRO C=CCn1cc(CN[C@@H]2C[NH2+]CCOC2)nn1 ZINC000925702888 646427652 /nfs/dbraw/zinc/42/76/52/646427652.db2.gz AWCQBRHZTZTFNX-LLVKDONJSA-N 1 0 237.307 -0.458 20 30 BBEDRO C=CCn1cc(CN[C@H]2C[NH2+]CCOC2)nn1 ZINC000925702890 646427271 /nfs/dbraw/zinc/42/72/71/646427271.db2.gz AWCQBRHZTZTFNX-NSHDSACASA-N 1 0 237.307 -0.458 20 30 BBEDRO C=C(C)C[C@H](CO)N[C@@H]1C[NH2+]CCOC1 ZINC000925769152 646470463 /nfs/dbraw/zinc/47/04/63/646470463.db2.gz BAIYVBIMZUJPKY-GHMZBOCLSA-N 1 0 214.309 -0.109 20 30 BBEDRO C=C(C)C[C@H](CO)N[C@H]1C[NH2+]CCOC1 ZINC000925769154 646471398 /nfs/dbraw/zinc/47/13/98/646471398.db2.gz BAIYVBIMZUJPKY-MNOVXSKESA-N 1 0 214.309 -0.109 20 30 BBEDRO C=C(C)C[C@@H](CO)N[C@H]1C[NH2+]CCOC1 ZINC000925769158 646470492 /nfs/dbraw/zinc/47/04/92/646470492.db2.gz BAIYVBIMZUJPKY-QWRGUYRKSA-N 1 0 214.309 -0.109 20 30 BBEDRO C=C(C)C[C@@H](CO)N[C@@H]1C[NH2+]CCOC1 ZINC000925769159 646471020 /nfs/dbraw/zinc/47/10/20/646471020.db2.gz BAIYVBIMZUJPKY-WDEREUQCSA-N 1 0 214.309 -0.109 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000925980323 646551719 /nfs/dbraw/zinc/55/17/19/646551719.db2.gz ZVJSFGHOCJCYDD-SECBINFHSA-N 1 0 225.292 -0.597 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000925980333 646551182 /nfs/dbraw/zinc/55/11/82/646551182.db2.gz ZVJSFGHOCJCYDD-VIFPVBQESA-N 1 0 225.292 -0.597 20 30 BBEDRO C#CCOCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926143352 711507179 /nfs/dbraw/zinc/50/71/79/711507179.db2.gz QVIORACJRGUIGY-SECBINFHSA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCOCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926143354 711506834 /nfs/dbraw/zinc/50/68/34/711506834.db2.gz QVIORACJRGUIGY-VIFPVBQESA-N 1 0 210.277 -0.250 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926294454 631562286 /nfs/dbraw/zinc/56/22/86/631562286.db2.gz DKRFQMDTTOEDBW-RKDXNWHRSA-N 1 0 225.292 -0.564 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926297979 646613251 /nfs/dbraw/zinc/61/32/51/646613251.db2.gz KIGQMEFTPYWYLK-JTQLQIEISA-N 1 0 239.319 -0.172 20 30 BBEDRO C=CCN(C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926297981 646612240 /nfs/dbraw/zinc/61/22/40/646612240.db2.gz KIGQMEFTPYWYLK-SNVBAGLBSA-N 1 0 239.319 -0.172 20 30 BBEDRO C=CCCN(C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926351758 646623273 /nfs/dbraw/zinc/62/32/73/646623273.db2.gz KEVZNMHHPCJQMZ-NXEZZACHSA-N 1 0 239.319 -0.174 20 30 BBEDRO C#CCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926411103 631906122 /nfs/dbraw/zinc/90/61/22/631906122.db2.gz SUQUWMZQFLTVCZ-WDEREUQCSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928553181 636087979 /nfs/dbraw/zinc/08/79/79/636087979.db2.gz YIYZVSRVBJETOG-NEPJUHHUSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928553182 636088371 /nfs/dbraw/zinc/08/83/71/636088371.db2.gz YIYZVSRVBJETOG-RYUDHWBXSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCOCCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928559759 636102421 /nfs/dbraw/zinc/10/24/21/636102421.db2.gz NOLZALUENGSHHR-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCOCCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928559760 636103199 /nfs/dbraw/zinc/10/31/99/636103199.db2.gz NOLZALUENGSHHR-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)C(OC)OC)CC1 ZINC000928648066 645853097 /nfs/dbraw/zinc/85/30/97/645853097.db2.gz FECFRQNBLAPQNW-UHFFFAOYSA-N 1 0 240.303 -0.181 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC000928648118 645853584 /nfs/dbraw/zinc/85/35/84/645853584.db2.gz GWNWSNVEKRUNJP-KLPPZKSPSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N2)CC1 ZINC000928649384 645852727 /nfs/dbraw/zinc/85/27/27/645852727.db2.gz JGVSBMBIOWPQSR-JTQLQIEISA-N 1 0 235.287 -0.911 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N2)CC1 ZINC000928649385 645853381 /nfs/dbraw/zinc/85/33/81/645853381.db2.gz JGVSBMBIOWPQSR-SNVBAGLBSA-N 1 0 235.287 -0.911 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)c2ncn(C)n2)CC1 ZINC000928650907 645853030 /nfs/dbraw/zinc/85/30/30/645853030.db2.gz HUSQPCPYBLKPSJ-UHFFFAOYSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)c2cn(C)nn2)CC1 ZINC000928651305 645852551 /nfs/dbraw/zinc/85/25/51/645852551.db2.gz RWCODMAFBSJYFW-UHFFFAOYSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@H](O)C=C)CC1 ZINC000928651644 645853519 /nfs/dbraw/zinc/85/35/19/645853519.db2.gz YIMYEIFSALPWSM-LLVKDONJSA-N 1 0 222.288 -0.253 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](O)C=C)CC1 ZINC000928651645 645852565 /nfs/dbraw/zinc/85/25/65/645852565.db2.gz YIMYEIFSALPWSM-NSHDSACASA-N 1 0 222.288 -0.253 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)O)CC1 ZINC000928652580 636268667 /nfs/dbraw/zinc/26/86/67/636268667.db2.gz DLONRCXUIKANFS-SECBINFHSA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)O)CC1 ZINC000928652581 636267832 /nfs/dbraw/zinc/26/78/32/636267832.db2.gz DLONRCXUIKANFS-VIFPVBQESA-N 1 0 210.277 -0.419 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)C(C)(C)O)CC1 ZINC000928652893 636267936 /nfs/dbraw/zinc/26/79/36/636267936.db2.gz QPLSCHAGZIFAHO-UHFFFAOYSA-N 1 0 224.304 -0.029 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)C=NOC)CC1 ZINC000928653396 636270298 /nfs/dbraw/zinc/27/02/98/636270298.db2.gz KZSTUDQRNPUNEB-UHFFFAOYSA-N 1 0 223.276 -0.168 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@H](O)C2CC2)CC1 ZINC000928653418 645852925 /nfs/dbraw/zinc/85/29/25/645852925.db2.gz LTFYANCBPUSZGP-GFCCVEGCSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](O)C2CC2)CC1 ZINC000928653419 645852256 /nfs/dbraw/zinc/85/22/56/645852256.db2.gz LTFYANCBPUSZGP-LBPRGKRZSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(C)n2)CC1 ZINC000928653461 645853778 /nfs/dbraw/zinc/85/37/78/645853778.db2.gz NCAUBZDYLRKGJD-UHFFFAOYSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)c2cnnn2C)CC1 ZINC000928653744 645853476 /nfs/dbraw/zinc/85/34/76/645853476.db2.gz YWAUKCHYICRUFK-UHFFFAOYSA-N 1 0 247.302 -0.358 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCC[S@](C)=O ZINC000928763657 645858138 /nfs/dbraw/zinc/85/81/38/645858138.db2.gz YFQVUQZPQZJSRZ-HNNXBMFYSA-N 1 0 232.349 -0.011 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)NCCC[S@@](C)=O ZINC000928763658 645856880 /nfs/dbraw/zinc/85/68/80/645856880.db2.gz YFQVUQZPQZJSRZ-OAHLLOKOSA-N 1 0 232.349 -0.011 20 30 BBEDRO C=C(C[NH+](C)C)C(=O)N(CC)CCC(N)=O ZINC000928822010 636386099 /nfs/dbraw/zinc/38/60/99/636386099.db2.gz LBBGXTMKNCESMA-UHFFFAOYSA-N 1 0 227.308 -0.172 20 30 BBEDRO C=C(CC[NH+](C)C)C(=O)N1CCOCN1 ZINC000928944713 636587797 /nfs/dbraw/zinc/58/77/97/636587797.db2.gz LHUNCDPIGYZHMK-UHFFFAOYSA-N 1 0 213.281 -0.185 20 30 BBEDRO C#CC[NH+]1CCC(C(=O)N2CCOCN2)CC1 ZINC000928954600 636646833 /nfs/dbraw/zinc/64/68/33/636646833.db2.gz NQJWYEXXDNOIRJ-UHFFFAOYSA-N 1 0 237.303 -0.348 20 30 BBEDRO COC(=O)[C@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000929292143 643966958 /nfs/dbraw/zinc/96/69/58/643966958.db2.gz PISUDGXTWRKUDL-DTWKUNHWSA-N 1 0 212.249 -0.244 20 30 BBEDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000929292144 643966926 /nfs/dbraw/zinc/96/69/26/643966926.db2.gz PISUDGXTWRKUDL-RKDXNWHRSA-N 1 0 212.249 -0.244 20 30 BBEDRO C=C(C)[C@@H](CO)[N@H+](CC)CC(=O)NC ZINC000929319378 646075690 /nfs/dbraw/zinc/07/56/90/646075690.db2.gz BIGYJOJBLFNDAR-SECBINFHSA-N 1 0 200.282 -0.009 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+](CC)CC(=O)NC ZINC000929319379 646073711 /nfs/dbraw/zinc/07/37/11/646073711.db2.gz BIGYJOJBLFNDAR-VIFPVBQESA-N 1 0 200.282 -0.009 20 30 BBEDRO C#CCNC(=O)COC1CC[NH+](C)CC1 ZINC000929383213 646105675 /nfs/dbraw/zinc/10/56/75/646105675.db2.gz LPDALHIMHCPJKX-UHFFFAOYSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CCNC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929420121 646115444 /nfs/dbraw/zinc/11/54/44/646115444.db2.gz SLPDEGGUJHKGNM-UHFFFAOYSA-N 1 0 239.275 -0.276 20 30 BBEDRO C=C(C)[C@H](CO)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000929507017 646159499 /nfs/dbraw/zinc/15/94/99/646159499.db2.gz GKFVQQAAOFXKOB-NEPJUHHUSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=C(C)[C@@H](CO)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000929507040 646160282 /nfs/dbraw/zinc/16/02/82/646160282.db2.gz GKFVQQAAOFXKOB-VXGBXAGGSA-N 1 0 228.336 -0.078 20 30 BBEDRO N#CC[C@@H](O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000929516985 646167602 /nfs/dbraw/zinc/16/76/02/646167602.db2.gz WJAUWAMAJKFKPF-SNVBAGLBSA-N 1 0 225.292 -0.009 20 30 BBEDRO CN(C[C@H](O)CC#N)[C@@H]1CCCCNC1=O ZINC000929518497 646168451 /nfs/dbraw/zinc/16/84/51/646168451.db2.gz QORYFBINACSNLP-NXEZZACHSA-N 1 0 225.292 -0.139 20 30 BBEDRO CN(C[C@H](O)CC#N)[C@H]1CCCCNC1=O ZINC000929518498 646166718 /nfs/dbraw/zinc/16/67/18/646166718.db2.gz QORYFBINACSNLP-ZJUUUORDSA-N 1 0 225.292 -0.139 20 30 BBEDRO N#CC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000929519519 646168069 /nfs/dbraw/zinc/16/80/69/646168069.db2.gz KITNYTIPJZYPQJ-NXEZZACHSA-N 1 0 225.292 -0.009 20 30 BBEDRO N#CC[C@@H](O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000929519520 646166950 /nfs/dbraw/zinc/16/69/50/646166950.db2.gz KITNYTIPJZYPQJ-VHSXEESVSA-N 1 0 225.292 -0.009 20 30 BBEDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)CC#N ZINC000929522570 646171027 /nfs/dbraw/zinc/17/10/27/646171027.db2.gz ZIIHUWPTYZMIHO-IVZWLZJFSA-N 1 0 225.292 -0.153 20 30 BBEDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)CC#N ZINC000929522571 646172095 /nfs/dbraw/zinc/17/20/95/646172095.db2.gz ZIIHUWPTYZMIHO-KXUCPTDWSA-N 1 0 225.292 -0.153 20 30 BBEDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)CC#N ZINC000929522572 646171405 /nfs/dbraw/zinc/17/14/05/646171405.db2.gz ZIIHUWPTYZMIHO-LPEHRKFASA-N 1 0 225.292 -0.153 20 30 BBEDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)CC#N ZINC000929522573 646170130 /nfs/dbraw/zinc/17/01/30/646170130.db2.gz ZIIHUWPTYZMIHO-OPRDCNLKSA-N 1 0 225.292 -0.153 20 30 BBEDRO C[N@H+](CCN1CCCC1=O)C[C@H](O)CC#N ZINC000929632631 646212964 /nfs/dbraw/zinc/21/29/64/646212964.db2.gz OQRQJXGEZHHJLW-SNVBAGLBSA-N 1 0 225.292 -0.185 20 30 BBEDRO COCC[N@H+](CCC(=O)OC)C[C@H](O)CC#N ZINC000929637114 646216617 /nfs/dbraw/zinc/21/66/17/646216617.db2.gz CVUWUAPKZZIAFO-SNVBAGLBSA-N 1 0 244.291 -0.228 20 30 BBEDRO N#CC[C@@H](O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000929653091 646223679 /nfs/dbraw/zinc/22/36/79/646223679.db2.gz FSMDOOBSKOWUTO-GHMZBOCLSA-N 1 0 228.292 -0.266 20 30 BBEDRO N#CC[C@@H](O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000929653092 646222969 /nfs/dbraw/zinc/22/29/69/646222969.db2.gz FSMDOOBSKOWUTO-MNOVXSKESA-N 1 0 228.292 -0.266 20 30 BBEDRO C#CC[NH+](CC#C)CC1CN(S(C)(=O)=O)C1 ZINC000929757473 646287145 /nfs/dbraw/zinc/28/71/45/646287145.db2.gz IYOUECQPJYQJRW-UHFFFAOYSA-N 1 0 240.328 -0.554 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929769514 646299256 /nfs/dbraw/zinc/29/92/56/646299256.db2.gz RYSOTWQAGAYCPY-AEJSXWLSSA-N 1 0 201.266 -0.649 20 30 BBEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000929769515 646300679 /nfs/dbraw/zinc/30/06/79/646300679.db2.gz RYSOTWQAGAYCPY-KXUCPTDWSA-N 1 0 201.266 -0.649 20 30 BBEDRO C#CC[N@@H+](CC)CC1CN(S(C)(=O)=O)C1 ZINC000929786160 641558072 /nfs/dbraw/zinc/55/80/72/641558072.db2.gz FNIMFKOFFUFDLD-UHFFFAOYSA-N 1 0 230.333 -0.167 20 30 BBEDRO C#CC[N@@H+](CC)C[C@@H](O)C1(O)CCOCC1 ZINC000929789218 646319367 /nfs/dbraw/zinc/31/93/67/646319367.db2.gz VOJMREDSIGKWKG-LLVKDONJSA-N 1 0 227.304 -0.156 20 30 BBEDRO C#CC[N@@H+](CC)C[C@H](O)C1(O)CCOCC1 ZINC000929789220 646319257 /nfs/dbraw/zinc/31/92/57/646319257.db2.gz VOJMREDSIGKWKG-NSHDSACASA-N 1 0 227.304 -0.156 20 30 BBEDRO CN(CCC#N)C[C@H](O)C1(O)CCOCC1 ZINC000929808813 646329385 /nfs/dbraw/zinc/32/93/85/646329385.db2.gz JOMWPNZAQQKZBR-JTQLQIEISA-N 1 0 228.292 -0.266 20 30 BBEDRO CN(CCC#N)C[C@@H](O)C1(O)CCOCC1 ZINC000929808814 646328840 /nfs/dbraw/zinc/32/88/40/646328840.db2.gz JOMWPNZAQQKZBR-SNVBAGLBSA-N 1 0 228.292 -0.266 20 30 BBEDRO CC(=O)N1CCN(C[C@H](O)CC#N)[C@H](C)C1 ZINC000929843444 646352074 /nfs/dbraw/zinc/35/20/74/646352074.db2.gz WWXWYQWJKDCADS-MWLCHTKSSA-N 1 0 225.292 -0.186 20 30 BBEDRO CNC(=O)C1([NH2+]C[C@H](O)CC#N)CCCC1 ZINC000929980256 646385198 /nfs/dbraw/zinc/38/51/98/646385198.db2.gz JDCVCRPGMSEOMS-SECBINFHSA-N 1 0 225.292 -0.091 20 30 BBEDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)CC#N)C(N)=O ZINC000930011957 646392402 /nfs/dbraw/zinc/39/24/02/646392402.db2.gz SQQUBHRWGXDMJT-HTQZYQBOSA-N 1 0 213.281 -0.249 20 30 BBEDRO COC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)CC#N ZINC000930018978 646394759 /nfs/dbraw/zinc/39/47/59/646394759.db2.gz RQWSQXIYNVRSOS-KOLCDFICSA-N 1 0 244.291 -0.181 20 30 BBEDRO COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)CC#N ZINC000930018979 646395505 /nfs/dbraw/zinc/39/55/05/646395505.db2.gz RQWSQXIYNVRSOS-MWLCHTKSSA-N 1 0 244.291 -0.181 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000930069709 646420177 /nfs/dbraw/zinc/42/01/77/646420177.db2.gz NCTPUDHPWBNELY-NXEZZACHSA-N 1 0 248.348 -0.453 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000930069710 646420008 /nfs/dbraw/zinc/42/00/08/646420008.db2.gz NCTPUDHPWBNELY-UWVGGRQHSA-N 1 0 248.348 -0.453 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000930069712 646419909 /nfs/dbraw/zinc/41/99/09/646419909.db2.gz NCTPUDHPWBNELY-VHSXEESVSA-N 1 0 248.348 -0.453 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000930069713 646420666 /nfs/dbraw/zinc/42/06/66/646420666.db2.gz NCTPUDHPWBNELY-ZJUUUORDSA-N 1 0 248.348 -0.453 20 30 BBEDRO C=C(C)[C@H](CO)[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000930168828 646469829 /nfs/dbraw/zinc/46/98/29/646469829.db2.gz SEJLQHUVYRKOHT-JTQLQIEISA-N 1 0 243.303 -0.077 20 30 BBEDRO C=C(C)[C@@H](CO)[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000930168829 646470985 /nfs/dbraw/zinc/47/09/85/646470985.db2.gz SEJLQHUVYRKOHT-SNVBAGLBSA-N 1 0 243.303 -0.077 20 30 BBEDRO COCCC[N@H+](CCO)C[C@H](O)CC#N ZINC000930251477 639661191 /nfs/dbraw/zinc/66/11/91/639661191.db2.gz XNBCWBKNZSMOSL-SNVBAGLBSA-N 1 0 216.281 -0.408 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)[C@H](C)O)C1=O ZINC000930310553 639696914 /nfs/dbraw/zinc/69/69/14/639696914.db2.gz INBPFXIPEYMRJH-DCAQKATOSA-N 1 0 242.319 -0.553 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)[C@H](C)O)C1=O ZINC000930310554 639697018 /nfs/dbraw/zinc/69/70/18/639697018.db2.gz INBPFXIPEYMRJH-GARJFASQSA-N 1 0 242.319 -0.553 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)[C@@H](C)O)C1=O ZINC000930310555 639695849 /nfs/dbraw/zinc/69/58/49/639695849.db2.gz INBPFXIPEYMRJH-OUAUKWLOSA-N 1 0 242.319 -0.553 20 30 BBEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](C)O)C1=O ZINC000930310556 639695381 /nfs/dbraw/zinc/69/53/81/639695381.db2.gz INBPFXIPEYMRJH-VWYCJHECSA-N 1 0 242.319 -0.553 20 30 BBEDRO C=CCN1CC[C@@H](N(C)C[C@H](O)CC#N)C1=O ZINC000930310687 639696030 /nfs/dbraw/zinc/69/60/30/639696030.db2.gz LRANGYQDDBRERR-GHMZBOCLSA-N 1 0 237.303 -0.020 20 30 BBEDRO C=CCN1CC[C@H](N(C)C[C@H](O)CC#N)C1=O ZINC000930310688 639696516 /nfs/dbraw/zinc/69/65/16/639696516.db2.gz LRANGYQDDBRERR-MNOVXSKESA-N 1 0 237.303 -0.020 20 30 BBEDRO C=CCN1CC[C@@H](N(C)C[C@@H](O)CO)C1=O ZINC000930311040 639695418 /nfs/dbraw/zinc/69/54/18/639695418.db2.gz XIEBVQHAFBFMSM-NXEZZACHSA-N 1 0 228.292 -0.942 20 30 BBEDRO C=CCN1CC[C@H](N(C)C[C@H](O)CO)C1=O ZINC000930311041 639696336 /nfs/dbraw/zinc/69/63/36/639696336.db2.gz XIEBVQHAFBFMSM-UWVGGRQHSA-N 1 0 228.292 -0.942 20 30 BBEDRO C=CCN1CC[C@@H](N(C)C[C@H](O)CO)C1=O ZINC000930311042 639696961 /nfs/dbraw/zinc/69/69/61/639696961.db2.gz XIEBVQHAFBFMSM-VHSXEESVSA-N 1 0 228.292 -0.942 20 30 BBEDRO C=CCN1CC[C@H](N(C)C[C@@H](O)CO)C1=O ZINC000930311043 639695751 /nfs/dbraw/zinc/69/57/51/639695751.db2.gz XIEBVQHAFBFMSM-ZJUUUORDSA-N 1 0 228.292 -0.942 20 30 BBEDRO CC[N@H+](CCOCCO)C[C@H](O)CC#N ZINC000930331789 639713584 /nfs/dbraw/zinc/71/35/84/639713584.db2.gz UROKWXKSMJTROE-SNVBAGLBSA-N 1 0 216.281 -0.408 20 30 BBEDRO CC(C)[N@H+](CCOCCO)C[C@H](O)CC#N ZINC000930358530 639730136 /nfs/dbraw/zinc/73/01/36/639730136.db2.gz LFLOQSWTDRTRQW-LLVKDONJSA-N 1 0 230.308 -0.020 20 30 BBEDRO COCCOCC[N@H+](C)C[C@H](O)CC#N ZINC000930504046 639789439 /nfs/dbraw/zinc/78/94/39/639789439.db2.gz YGEODXZPGXBIIF-SNVBAGLBSA-N 1 0 216.281 -0.144 20 30 BBEDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)CC#N)C[C@@H]21 ZINC000930543624 639808516 /nfs/dbraw/zinc/80/85/16/639808516.db2.gz ARDDDLFPSUSUPV-IMSYWVGJSA-N 1 0 224.260 -0.388 20 30 BBEDRO CC#CC[N@H+](C)C[C@@H](O)C1(O)CCOCC1 ZINC000930588798 639814950 /nfs/dbraw/zinc/81/49/50/639814950.db2.gz IPZOJTUVQDIIHY-LLVKDONJSA-N 1 0 227.304 -0.156 20 30 BBEDRO CC#CC[N@H+](C)C[C@H](O)C1(O)CCOCC1 ZINC000930588799 639814733 /nfs/dbraw/zinc/81/47/33/639814733.db2.gz IPZOJTUVQDIIHY-NSHDSACASA-N 1 0 227.304 -0.156 20 30 BBEDRO CC#CC[N@H+](C)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930589006 639814767 /nfs/dbraw/zinc/81/47/67/639814767.db2.gz JYUBEFVLLNUUDK-NEPJUHHUSA-N 1 0 227.304 -0.156 20 30 BBEDRO CC#CC[N@H+](C)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930589010 639815009 /nfs/dbraw/zinc/81/50/09/639815009.db2.gz JYUBEFVLLNUUDK-NWDGAFQWSA-N 1 0 227.304 -0.156 20 30 BBEDRO CC#CC[N@H+](C)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930589012 639814730 /nfs/dbraw/zinc/81/47/30/639814730.db2.gz JYUBEFVLLNUUDK-RYUDHWBXSA-N 1 0 227.304 -0.156 20 30 BBEDRO CC#CC[N@H+](C)C[C@H](O)C[C@]1(O)CCOC1 ZINC000930589015 639814792 /nfs/dbraw/zinc/81/47/92/639814792.db2.gz JYUBEFVLLNUUDK-VXGBXAGGSA-N 1 0 227.304 -0.156 20 30 BBEDRO C[N@H+](C[C@H](O)CC#N)[C@@H]1CCN2CCO[C@H]1C2 ZINC000930599512 639816701 /nfs/dbraw/zinc/81/67/01/639816701.db2.gz XZIBOLMRNFBBRA-UTUOFQBUSA-N 1 0 239.319 -0.334 20 30 BBEDRO C[N@H+](C[C@H](O)CC#N)[C@H]1CCN2CCO[C@H]1C2 ZINC000930599513 639816899 /nfs/dbraw/zinc/81/68/99/639816899.db2.gz XZIBOLMRNFBBRA-WOPDTQHZSA-N 1 0 239.319 -0.334 20 30 BBEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623894 633947481 /nfs/dbraw/zinc/94/74/81/633947481.db2.gz VTRZGSIJAMDMAW-APPZFPTMSA-N 1 0 220.219 -0.037 20 30 BBEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623895 633946689 /nfs/dbraw/zinc/94/66/89/633946689.db2.gz VTRZGSIJAMDMAW-VXNVDRBHSA-N 1 0 220.219 -0.037 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)[C@@H](C)O ZINC000930637199 639835331 /nfs/dbraw/zinc/83/53/31/639835331.db2.gz BTCKARMBEHMULC-IMSYWVGJSA-N 1 0 201.266 -0.339 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)[C@H](C)O ZINC000930637200 639834907 /nfs/dbraw/zinc/83/49/07/639834907.db2.gz BTCKARMBEHMULC-JLIMGVALSA-N 1 0 201.266 -0.339 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)[C@H](C)O ZINC000930637202 639835972 /nfs/dbraw/zinc/83/59/72/639835972.db2.gz BTCKARMBEHMULC-JXUBOQSCSA-N 1 0 201.266 -0.339 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)[C@@H](C)O ZINC000930637204 639835515 /nfs/dbraw/zinc/83/55/15/639835515.db2.gz BTCKARMBEHMULC-KYXWUPHJSA-N 1 0 201.266 -0.339 20 30 BBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000930640739 639838450 /nfs/dbraw/zinc/83/84/50/639838450.db2.gz WEJQFJIMRWZGQY-RQJHMYQMSA-N 1 0 213.237 -0.886 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000930640912 633969996 /nfs/dbraw/zinc/96/99/96/633969996.db2.gz QMMAJQJXNMSVJF-HRDYMLBCSA-N 1 0 224.260 -0.872 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000930640913 633969115 /nfs/dbraw/zinc/96/91/15/633969115.db2.gz QMMAJQJXNMSVJF-YIZRAAEISA-N 1 0 224.260 -0.872 20 30 BBEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)CO ZINC000930647160 639842600 /nfs/dbraw/zinc/84/26/00/639842600.db2.gz VYNVJLXHEBPCPL-BBBLOLIVSA-N 1 0 201.266 -0.337 20 30 BBEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000930647416 639843185 /nfs/dbraw/zinc/84/31/85/639843185.db2.gz XNARFVJVOCTADV-SFYZADRCSA-N 1 0 227.264 -0.496 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000930649705 633984750 /nfs/dbraw/zinc/98/47/50/633984750.db2.gz XTQSOPOLCVNDLV-IVZWLZJFSA-N 1 0 201.266 -0.385 20 30 BBEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000930649709 633983710 /nfs/dbraw/zinc/98/37/10/633983710.db2.gz XTQSOPOLCVNDLV-OPRDCNLKSA-N 1 0 201.266 -0.385 20 30 BBEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CO ZINC000930651108 639844521 /nfs/dbraw/zinc/84/45/21/639844521.db2.gz VYNVJLXHEBPCPL-AEJSXWLSSA-N 1 0 201.266 -0.337 20 30 BBEDRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000930660396 639848007 /nfs/dbraw/zinc/84/80/07/639848007.db2.gz NFODVMUSQFSTIY-OPRDCNLKSA-N 1 0 214.265 -0.346 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000930679478 639860152 /nfs/dbraw/zinc/86/01/52/639860152.db2.gz FUZOMAZXFFUMAI-AXFHLTTASA-N 1 0 240.303 -0.487 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000930679479 639860939 /nfs/dbraw/zinc/86/09/39/639860939.db2.gz FUZOMAZXFFUMAI-DCAQKATOSA-N 1 0 240.303 -0.487 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000930701437 639867233 /nfs/dbraw/zinc/86/72/33/639867233.db2.gz YBQAVZYBZBFQSX-GUBZILKMSA-N 1 0 201.266 -0.792 20 30 BBEDRO C=C(C)[C@H](CO)[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000930701438 639868256 /nfs/dbraw/zinc/86/82/56/639868256.db2.gz YBQAVZYBZBFQSX-KXUCPTDWSA-N 1 0 201.266 -0.792 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000930701439 639867906 /nfs/dbraw/zinc/86/79/06/639867906.db2.gz YBQAVZYBZBFQSX-LPEHRKFASA-N 1 0 201.266 -0.792 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000930701440 639867243 /nfs/dbraw/zinc/86/72/43/639867243.db2.gz YBQAVZYBZBFQSX-UTLUCORTSA-N 1 0 201.266 -0.792 20 30 BBEDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000930704792 639871751 /nfs/dbraw/zinc/87/17/51/639871751.db2.gz OOQOMDYMBUVMSR-HRDYMLBCSA-N 1 0 200.238 -0.736 20 30 BBEDRO C=C(C)C[N@H+](CCO)CCOCCO ZINC000930706420 639873487 /nfs/dbraw/zinc/87/34/87/639873487.db2.gz ZQERTGGKXRCZAE-UHFFFAOYSA-N 1 0 203.282 -0.134 20 30 BBEDRO CC(C)(CN1CCOCC1)[NH2+]C[C@H](O)CC#N ZINC000930720703 639878205 /nfs/dbraw/zinc/87/82/05/639878205.db2.gz FTXZAFQSCCQTLO-LLVKDONJSA-N 1 0 241.335 -0.039 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000930751956 639897053 /nfs/dbraw/zinc/89/70/53/639897053.db2.gz RNQPUVQJJWXYPW-NXEZZACHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000930751957 639898091 /nfs/dbraw/zinc/89/80/91/639898091.db2.gz RNQPUVQJJWXYPW-UWVGGRQHSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000930751958 639897609 /nfs/dbraw/zinc/89/76/09/639897609.db2.gz RNQPUVQJJWXYPW-VHSXEESVSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000930751959 639898540 /nfs/dbraw/zinc/89/85/40/639898540.db2.gz RNQPUVQJJWXYPW-ZJUUUORDSA-N 1 0 212.293 -0.009 20 30 BBEDRO CO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000930817960 639917995 /nfs/dbraw/zinc/91/79/95/639917995.db2.gz OOQOMDYMBUVMSR-IWSPIJDZSA-N 1 0 200.238 -0.736 20 30 BBEDRO N#CC[C@@]1(O)CC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930818273 639919232 /nfs/dbraw/zinc/91/92/32/639919232.db2.gz FEYLMOCTINMQLM-GHMZBOCLSA-N 1 0 240.303 -0.387 20 30 BBEDRO N#CC[C@]1(O)CC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930818274 639919384 /nfs/dbraw/zinc/91/93/84/639919384.db2.gz FEYLMOCTINMQLM-MNOVXSKESA-N 1 0 240.303 -0.387 20 30 BBEDRO N#CC[C@]1(O)CC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930818275 639917868 /nfs/dbraw/zinc/91/78/68/639917868.db2.gz FEYLMOCTINMQLM-QWRGUYRKSA-N 1 0 240.303 -0.387 20 30 BBEDRO N#CC[C@@]1(O)CC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930818276 639918442 /nfs/dbraw/zinc/91/84/42/639918442.db2.gz FEYLMOCTINMQLM-WDEREUQCSA-N 1 0 240.303 -0.387 20 30 BBEDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](C[C@H](O)CC#N)C1 ZINC000930827140 639928344 /nfs/dbraw/zinc/92/83/44/639928344.db2.gz UTNVMJSYKFEVQN-AEJSXWLSSA-N 1 0 242.275 -0.883 20 30 BBEDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)CC#N)C1 ZINC000930827147 639928070 /nfs/dbraw/zinc/92/80/70/639928070.db2.gz UTNVMJSYKFEVQN-BBBLOLIVSA-N 1 0 242.275 -0.883 20 30 BBEDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](C[C@H](O)CC#N)C1 ZINC000930827148 639927315 /nfs/dbraw/zinc/92/73/15/639927315.db2.gz UTNVMJSYKFEVQN-IVZWLZJFSA-N 1 0 242.275 -0.883 20 30 BBEDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)CC#N)C1 ZINC000930827150 639929071 /nfs/dbraw/zinc/92/90/71/639929071.db2.gz UTNVMJSYKFEVQN-OPRDCNLKSA-N 1 0 242.275 -0.883 20 30 BBEDRO C[C@H](O)[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000930828904 639932847 /nfs/dbraw/zinc/93/28/47/639932847.db2.gz VNHWCYWUWIVODR-FIQHERPVSA-N 1 0 241.335 -0.354 20 30 BBEDRO C[C@H](O)[C@@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930828905 639930886 /nfs/dbraw/zinc/93/08/86/639930886.db2.gz VNHWCYWUWIVODR-USZNOCQGSA-N 1 0 241.335 -0.354 20 30 BBEDRO C[C@H](O)[C@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930828906 639929960 /nfs/dbraw/zinc/92/99/60/639929960.db2.gz VNHWCYWUWIVODR-WHOHXGKFSA-N 1 0 241.335 -0.354 20 30 BBEDRO C[C@H](O)[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000930828907 639932101 /nfs/dbraw/zinc/93/21/01/639932101.db2.gz VNHWCYWUWIVODR-WISYIIOYSA-N 1 0 241.335 -0.354 20 30 BBEDRO COC(=O)CC1([NH2+]C[C@H](O)CC#N)CC1 ZINC000930851325 639949136 /nfs/dbraw/zinc/94/91/36/639949136.db2.gz BHGJOFQWXDQBTA-MRVPVSSYSA-N 1 0 212.249 -0.054 20 30 BBEDRO C[NH+](C)C[C@@]1(O)CCCN(C[C@H](O)CC#N)C1 ZINC000930904912 639978767 /nfs/dbraw/zinc/97/87/67/639978767.db2.gz XHTCHSMMTKVYGG-NEPJUHHUSA-N 1 0 241.335 -0.351 20 30 BBEDRO C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)CC#N)C1 ZINC000930904967 639979364 /nfs/dbraw/zinc/97/93/64/639979364.db2.gz XHTCHSMMTKVYGG-VXGBXAGGSA-N 1 0 241.335 -0.351 20 30 BBEDRO C#CCN(C[C@@H](O)[C@@H](C)O)C1CSC1 ZINC000930959794 639997206 /nfs/dbraw/zinc/99/72/06/639997206.db2.gz CLZIZKYMJYXNLG-PSASIEDQSA-N 1 0 215.318 -0.221 20 30 BBEDRO C#CCN(C[C@H](O)[C@@H](C)O)C1CSC1 ZINC000930959795 639999521 /nfs/dbraw/zinc/99/95/21/639999521.db2.gz CLZIZKYMJYXNLG-SCZZXKLOSA-N 1 0 215.318 -0.221 20 30 BBEDRO C#CCN(C[C@@H](O)[C@H](C)O)C1CSC1 ZINC000930959796 640000067 /nfs/dbraw/zinc/00/00/67/640000067.db2.gz CLZIZKYMJYXNLG-WCBMZHEXSA-N 1 0 215.318 -0.221 20 30 BBEDRO C#CCN(C[C@H](O)[C@H](C)O)C1CSC1 ZINC000930959797 639998087 /nfs/dbraw/zinc/99/80/87/639998087.db2.gz CLZIZKYMJYXNLG-WPRPVWTQSA-N 1 0 215.318 -0.221 20 30 BBEDRO C#CCN(C[C@@H](O)CO)C1CSC1 ZINC000930960472 639999336 /nfs/dbraw/zinc/99/93/36/639999336.db2.gz MPXZGKYHCSLITM-SECBINFHSA-N 1 0 201.291 -0.610 20 30 BBEDRO C#CCN(C[C@H](O)CO)C1CSC1 ZINC000930960473 639997455 /nfs/dbraw/zinc/99/74/55/639997455.db2.gz MPXZGKYHCSLITM-VIFPVBQESA-N 1 0 201.291 -0.610 20 30 BBEDRO CO[C@]1(CO)CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000930962520 640001123 /nfs/dbraw/zinc/00/11/23/640001123.db2.gz CXKKNVJVJPAETI-GHMZBOCLSA-N 1 0 228.292 -0.266 20 30 BBEDRO CO[C@@]1(CO)CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000930962521 640002638 /nfs/dbraw/zinc/00/26/38/640002638.db2.gz CXKKNVJVJPAETI-MNOVXSKESA-N 1 0 228.292 -0.266 20 30 BBEDRO COC(=O)N(C)CC[N@H+](C)C[C@H](O)CC#N ZINC000931017371 640020771 /nfs/dbraw/zinc/02/07/71/640020771.db2.gz BAYVPRXNWGBGIM-SECBINFHSA-N 1 0 229.280 -0.109 20 30 BBEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)NCC#N ZINC000931042530 640039060 /nfs/dbraw/zinc/03/90/60/640039060.db2.gz MXXVKIUAZZYRAP-NXEZZACHSA-N 1 0 224.308 -0.349 20 30 BBEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)NCC#N ZINC000931042531 640037961 /nfs/dbraw/zinc/03/79/61/640037961.db2.gz MXXVKIUAZZYRAP-UWVGGRQHSA-N 1 0 224.308 -0.349 20 30 BBEDRO C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)NCC#N ZINC000931042532 640038573 /nfs/dbraw/zinc/03/85/73/640038573.db2.gz MXXVKIUAZZYRAP-VHSXEESVSA-N 1 0 224.308 -0.349 20 30 BBEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC(=O)NCC#N ZINC000931042533 640039630 /nfs/dbraw/zinc/03/96/30/640039630.db2.gz MXXVKIUAZZYRAP-ZJUUUORDSA-N 1 0 224.308 -0.349 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000931066517 640054489 /nfs/dbraw/zinc/05/44/89/640054489.db2.gz GXSLUUKEJSPVNP-NXEZZACHSA-N 1 0 215.293 -0.211 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000931066518 640052648 /nfs/dbraw/zinc/05/26/48/640052648.db2.gz GXSLUUKEJSPVNP-ZJUUUORDSA-N 1 0 215.293 -0.211 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCOC(C)(C)C1 ZINC000931067214 640055530 /nfs/dbraw/zinc/05/55/30/640055530.db2.gz MZTGPANUDSPHBG-SNVBAGLBSA-N 1 0 242.319 -0.240 20 30 BBEDRO C=C[C@H](CO)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000931067429 640056082 /nfs/dbraw/zinc/05/60/82/640056082.db2.gz OXAGUKTUZUJDPN-SECBINFHSA-N 1 0 234.321 -0.986 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@@H]1CCN(OC)C1=O ZINC000931067438 640056390 /nfs/dbraw/zinc/05/63/90/640056390.db2.gz PIQBTNBLSRPRFL-HTQZYQBOSA-N 1 0 200.238 -0.715 20 30 BBEDRO C=C[C@H](CO)[NH2+][C@H]1CCN(OC)C1=O ZINC000931067439 640055670 /nfs/dbraw/zinc/05/56/70/640055670.db2.gz PIQBTNBLSRPRFL-SFYZADRCSA-N 1 0 200.238 -0.715 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000931067997 640055818 /nfs/dbraw/zinc/05/58/18/640055818.db2.gz UJMZJLBVTXWBNY-BDAKNGLRSA-N 1 0 201.266 -0.601 20 30 BBEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000931067999 640055472 /nfs/dbraw/zinc/05/54/72/640055472.db2.gz UJMZJLBVTXWBNY-RKDXNWHRSA-N 1 0 201.266 -0.601 20 30 BBEDRO C#CCC[N@@H+](CCOC)C[C@H](O)CO ZINC000931070519 640058080 /nfs/dbraw/zinc/05/80/80/640058080.db2.gz GKIPFIDDBUXZCM-JTQLQIEISA-N 1 0 201.266 -0.689 20 30 BBEDRO C#CCC[N@@H+](CCOC)C[C@@H](O)CO ZINC000931070520 640058897 /nfs/dbraw/zinc/05/88/97/640058897.db2.gz GKIPFIDDBUXZCM-SNVBAGLBSA-N 1 0 201.266 -0.689 20 30 BBEDRO C#CCC[N@@H+](CCOC)C[C@@H](O)[C@@H](C)O ZINC000931071072 640058096 /nfs/dbraw/zinc/05/80/96/640058096.db2.gz NVOIXDCHDCRKFV-GHMZBOCLSA-N 1 0 215.293 -0.300 20 30 BBEDRO C#CCC[N@@H+](CCOC)C[C@H](O)[C@@H](C)O ZINC000931071099 640060029 /nfs/dbraw/zinc/06/00/29/640060029.db2.gz NVOIXDCHDCRKFV-MNOVXSKESA-N 1 0 215.293 -0.300 20 30 BBEDRO C#CCC[N@@H+](CCOC)C[C@H](O)[C@H](C)O ZINC000931071100 640059601 /nfs/dbraw/zinc/05/96/01/640059601.db2.gz NVOIXDCHDCRKFV-QWRGUYRKSA-N 1 0 215.293 -0.300 20 30 BBEDRO C#CCC[N@@H+](CCOC)C[C@@H](O)[C@H](C)O ZINC000931071101 640058691 /nfs/dbraw/zinc/05/86/91/640058691.db2.gz NVOIXDCHDCRKFV-WDEREUQCSA-N 1 0 215.293 -0.300 20 30 BBEDRO C#CC1(O)CC[NH+](CCCNC(C)=O)CC1 ZINC000931144813 640078487 /nfs/dbraw/zinc/07/84/87/640078487.db2.gz GDPUHWXLPRGFHW-UHFFFAOYSA-N 1 0 224.304 -0.027 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000931146213 640078697 /nfs/dbraw/zinc/07/86/97/640078697.db2.gz ZHXFUZHNAONFIS-GFCCVEGCSA-N 1 0 249.314 -0.296 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000931146215 640077804 /nfs/dbraw/zinc/07/78/04/640077804.db2.gz ZHXFUZHNAONFIS-LBPRGKRZSA-N 1 0 249.314 -0.296 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC000931149034 640079220 /nfs/dbraw/zinc/07/92/20/640079220.db2.gz DPIUJFQSADWNHH-LLVKDONJSA-N 1 0 225.288 -0.214 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC000931149035 640077904 /nfs/dbraw/zinc/07/79/04/640077904.db2.gz DPIUJFQSADWNHH-NSHDSACASA-N 1 0 225.288 -0.214 20 30 BBEDRO C#CC1(O)CC[NH+](CCc2c[nH]nn2)CC1 ZINC000931149948 640077548 /nfs/dbraw/zinc/07/75/48/640077548.db2.gz UTARSRBYBHCZEU-UHFFFAOYSA-N 1 0 220.276 -0.193 20 30 BBEDRO C#CCNC(=O)CC[NH+]1CCC(O)(C#C)CC1 ZINC000931150232 640078803 /nfs/dbraw/zinc/07/88/03/640078803.db2.gz ZIFSBDOQCCIPPY-UHFFFAOYSA-N 1 0 234.299 -0.414 20 30 BBEDRO C#CC1(O)CC[NH+](CCC(=O)N(C)OC)CC1 ZINC000931150496 640079215 /nfs/dbraw/zinc/07/92/15/640079215.db2.gz DNJIHLCPWXOQNW-UHFFFAOYSA-N 1 0 240.303 -0.144 20 30 BBEDRO C#CC1(O)CC[NH+](CCc2cn(C)nn2)CC1 ZINC000931150838 640078858 /nfs/dbraw/zinc/07/88/58/640078858.db2.gz CIELGWVLTJXYCU-UHFFFAOYSA-N 1 0 234.303 -0.182 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000931151252 640079788 /nfs/dbraw/zinc/07/97/88/640079788.db2.gz IYIZBICPNCVJBB-NXEZZACHSA-N 1 0 213.277 -0.812 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000931151253 640080449 /nfs/dbraw/zinc/08/04/49/640080449.db2.gz IYIZBICPNCVJBB-UWVGGRQHSA-N 1 0 213.277 -0.812 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000931151254 640080465 /nfs/dbraw/zinc/08/04/65/640080465.db2.gz IYIZBICPNCVJBB-VHSXEESVSA-N 1 0 213.277 -0.812 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000931151255 640079616 /nfs/dbraw/zinc/07/96/16/640079616.db2.gz IYIZBICPNCVJBB-ZJUUUORDSA-N 1 0 213.277 -0.812 20 30 BBEDRO C#CC1(O)CC[NH+](CC2OCCO2)CC1 ZINC000931151345 640080249 /nfs/dbraw/zinc/08/02/49/640080249.db2.gz RMLYAFCCGHDWSH-UHFFFAOYSA-N 1 0 211.261 -0.181 20 30 BBEDRO C#CC1(O)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000931151589 640080512 /nfs/dbraw/zinc/08/05/12/640080512.db2.gz YYYBEPDGIJPURB-SECBINFHSA-N 1 0 236.271 -0.748 20 30 BBEDRO C#CC1(O)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000931151590 640077894 /nfs/dbraw/zinc/07/78/94/640077894.db2.gz YYYBEPDGIJPURB-VIFPVBQESA-N 1 0 236.271 -0.748 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@H](O)CC(C)(C)O)CC1 ZINC000931151779 640080971 /nfs/dbraw/zinc/08/09/71/640080971.db2.gz UBOYCBVUNDUIOE-LLVKDONJSA-N 1 0 241.331 -0.032 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@@H](O)CC(C)(C)O)CC1 ZINC000931151780 640080441 /nfs/dbraw/zinc/08/04/41/640080441.db2.gz UBOYCBVUNDUIOE-NSHDSACASA-N 1 0 241.331 -0.032 20 30 BBEDRO C#CC1(O)CC[NH+](CCc2nnnn2C)CC1 ZINC000931151842 640080170 /nfs/dbraw/zinc/08/01/70/640080170.db2.gz XBSRVXGTBIEWLO-UHFFFAOYSA-N 1 0 235.291 -0.787 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000931153512 640080149 /nfs/dbraw/zinc/08/01/49/640080149.db2.gz HZUGWTAYPYLDCU-LLVKDONJSA-N 1 0 239.315 -0.278 20 30 BBEDRO C#CC1(O)CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000931153516 640079623 /nfs/dbraw/zinc/07/96/23/640079623.db2.gz HZUGWTAYPYLDCU-NSHDSACASA-N 1 0 239.315 -0.278 20 30 BBEDRO C#CC1(O)CC[NH+]([C@H]2CCN(OC)C2=O)CC1 ZINC000931153795 640079859 /nfs/dbraw/zinc/07/98/59/640079859.db2.gz LWGGEJVDDRTGOM-JTQLQIEISA-N 1 0 238.287 -0.391 20 30 BBEDRO C#CC1(O)CC[NH+]([C@@H]2CCN(OC)C2=O)CC1 ZINC000931153796 640080274 /nfs/dbraw/zinc/08/02/74/640080274.db2.gz LWGGEJVDDRTGOM-SNVBAGLBSA-N 1 0 238.287 -0.391 20 30 BBEDRO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)CC#N)C1 ZINC000931174866 634248840 /nfs/dbraw/zinc/24/88/40/634248840.db2.gz ZTVHYAFXORGQQJ-KOLCDFICSA-N 1 0 242.275 -0.475 20 30 BBEDRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)CC#N)C1 ZINC000931174867 634250079 /nfs/dbraw/zinc/25/00/79/634250079.db2.gz ZTVHYAFXORGQQJ-MWLCHTKSSA-N 1 0 242.275 -0.475 20 30 BBEDRO CC1(C)CC(=O)NCC[N@@H+]1C[C@H](O)CC#N ZINC000931205054 640101847 /nfs/dbraw/zinc/10/18/47/640101847.db2.gz SLVSFMVWMHOXCJ-SECBINFHSA-N 1 0 225.292 -0.139 20 30 BBEDRO C[N@H+](C[C@H](O)CC#N)[C@H]1C[C@@H](C(N)=O)C1 ZINC000931265992 640123027 /nfs/dbraw/zinc/12/30/27/640123027.db2.gz JGRVZGTZRUUAIM-HRDYMLBCSA-N 1 0 211.265 -0.543 20 30 BBEDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)CC#N)C[C@H]21 ZINC000931276679 640124983 /nfs/dbraw/zinc/12/49/83/640124983.db2.gz BKNSZJUXGZWDLS-ZNSHCXBVSA-N 1 0 209.293 -0.247 20 30 BBEDRO C#CCNC(=O)CCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277565 640128723 /nfs/dbraw/zinc/12/87/23/640128723.db2.gz LLXVSRNJNXFUNL-PJXYFTJBSA-N 1 0 235.331 -0.382 20 30 BBEDRO C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC000931279874 640133100 /nfs/dbraw/zinc/13/31/00/640133100.db2.gz RGECLDJXJNTHSO-JZYVYDRUSA-N 1 0 222.292 -0.882 20 30 BBEDRO C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)NCCC#N)C[C@H]21 ZINC000931281952 640137298 /nfs/dbraw/zinc/13/72/98/640137298.db2.gz BTNNTYGNBSECLQ-IAZYJMLFSA-N 1 0 236.319 -0.492 20 30 BBEDRO C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282639 640136966 /nfs/dbraw/zinc/13/69/66/640136966.db2.gz GCWCPGCHLSPPCG-NNYUYHANSA-N 1 0 235.331 -0.384 20 30 BBEDRO C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282640 640137919 /nfs/dbraw/zinc/13/79/19/640137919.db2.gz GCWCPGCHLSPPCG-WYUUTHIRSA-N 1 0 235.331 -0.384 20 30 BBEDRO C=CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282852 640137344 /nfs/dbraw/zinc/13/73/44/640137344.db2.gz LCVJDMSNNYOWCO-IAZYJMLFSA-N 1 0 223.320 -0.220 20 30 BBEDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC#N ZINC000931395533 640176056 /nfs/dbraw/zinc/17/60/56/640176056.db2.gz VZBPYMVWKOHSGR-AOOOYVTPSA-N 1 0 222.292 -0.595 20 30 BBEDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCC#N ZINC000931397733 640177729 /nfs/dbraw/zinc/17/77/29/640177729.db2.gz WSHMVFHYMHKJNS-PHIMTYICSA-N 1 0 236.319 -0.205 20 30 BBEDRO C#CCOCC[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931401092 640178448 /nfs/dbraw/zinc/17/84/48/640178448.db2.gz YDWWCRAMFNBNBN-LLVKDONJSA-N 1 0 212.293 -0.756 20 30 BBEDRO C#CCOCC[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931401094 640180217 /nfs/dbraw/zinc/18/02/17/640180217.db2.gz YDWWCRAMFNBNBN-NSHDSACASA-N 1 0 212.293 -0.756 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931404178 640182570 /nfs/dbraw/zinc/18/25/70/640182570.db2.gz WAQQVBDOOWRVFK-GHMZBOCLSA-N 1 0 214.309 -0.468 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931404180 640183559 /nfs/dbraw/zinc/18/35/59/640183559.db2.gz WAQQVBDOOWRVFK-MNOVXSKESA-N 1 0 214.309 -0.468 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931404181 640181185 /nfs/dbraw/zinc/18/11/85/640181185.db2.gz WAQQVBDOOWRVFK-QWRGUYRKSA-N 1 0 214.309 -0.468 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931404183 640184445 /nfs/dbraw/zinc/18/44/45/640184445.db2.gz WAQQVBDOOWRVFK-WDEREUQCSA-N 1 0 214.309 -0.468 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931407978 634401996 /nfs/dbraw/zinc/40/19/96/634401996.db2.gz MVNKTQGLFUXNMD-NEPJUHHUSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931407984 634403215 /nfs/dbraw/zinc/40/32/15/634403215.db2.gz MVNKTQGLFUXNMD-NWDGAFQWSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=CCC[C@H](O)C[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931407986 634401447 /nfs/dbraw/zinc/40/14/47/634401447.db2.gz MVNKTQGLFUXNMD-RYUDHWBXSA-N 1 0 228.336 -0.078 20 30 BBEDRO C=CCC[C@@H](O)C[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931407987 634402832 /nfs/dbraw/zinc/40/28/32/634402832.db2.gz MVNKTQGLFUXNMD-VXGBXAGGSA-N 1 0 228.336 -0.078 20 30 BBEDRO CO[C@H]1C[N@H+](C[C@H](O)CC#N)[C@@](C)(CO)C1 ZINC000931470268 640229198 /nfs/dbraw/zinc/22/91/98/640229198.db2.gz LQSLMEITVOXMQL-GMTAPVOTSA-N 1 0 228.292 -0.267 20 30 BBEDRO CO[C@H]1C[N@H+](C[C@H](O)CC#N)[C@](C)(CO)C1 ZINC000931470269 640228235 /nfs/dbraw/zinc/22/82/35/640228235.db2.gz LQSLMEITVOXMQL-MXWKQRLJSA-N 1 0 228.292 -0.267 20 30 BBEDRO CO[C@@H]1C[N@H+](C[C@H](O)CC#N)[C@@](C)(CO)C1 ZINC000931470270 640228360 /nfs/dbraw/zinc/22/83/60/640228360.db2.gz LQSLMEITVOXMQL-OUAUKWLOSA-N 1 0 228.292 -0.267 20 30 BBEDRO CO[C@@H]1C[N@H+](C[C@H](O)CC#N)[C@](C)(CO)C1 ZINC000931470271 640229102 /nfs/dbraw/zinc/22/91/02/640229102.db2.gz LQSLMEITVOXMQL-VWYCJHECSA-N 1 0 228.292 -0.267 20 30 BBEDRO C#CCNC(=O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931508240 640238474 /nfs/dbraw/zinc/23/84/74/640238474.db2.gz INTPAJJIZJTLFN-UHFFFAOYSA-N 1 0 244.298 -0.229 20 30 BBEDRO Cn1cc(NC(=O)NCC#CC[NH+](C)C)nn1 ZINC000931510179 640241322 /nfs/dbraw/zinc/24/13/22/640241322.db2.gz VFQXLQGWCDMSQW-UHFFFAOYSA-N 1 0 236.279 -0.498 20 30 BBEDRO N#CCNC(=O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931511017 640240525 /nfs/dbraw/zinc/24/05/25/640240525.db2.gz JMPOFVNAWVMQOQ-UHFFFAOYSA-N 1 0 245.286 -0.338 20 30 BBEDRO N#CCNC(=O)CN1CCn2ccnc21 ZINC000931525654 640256917 /nfs/dbraw/zinc/25/69/17/640256917.db2.gz HUAATIHKZJYBCA-UHFFFAOYSA-N 1 0 205.221 -0.657 20 30 BBEDRO N#CC[C@@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000931615693 635112555 /nfs/dbraw/zinc/11/25/55/635112555.db2.gz HOJKXOIYLWMPJX-QJPTWQEYSA-N 1 0 239.319 -0.598 20 30 BBEDRO COCC#CCN1CCC(OC)(OC)[C@H](O)C1 ZINC000931634479 640298854 /nfs/dbraw/zinc/29/88/54/640298854.db2.gz OZGDYFZFLLJJGZ-LLVKDONJSA-N 1 0 243.303 -0.308 20 30 BBEDRO COCC#CCN1CCC(OC)(OC)[C@@H](O)C1 ZINC000931634481 640300855 /nfs/dbraw/zinc/30/08/55/640300855.db2.gz OZGDYFZFLLJJGZ-NSHDSACASA-N 1 0 243.303 -0.308 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931636202 640298736 /nfs/dbraw/zinc/29/87/36/640298736.db2.gz YROJGKLTIOTYID-GHMZBOCLSA-N 1 0 245.319 -0.021 20 30 BBEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931636203 640300168 /nfs/dbraw/zinc/30/01/68/640300168.db2.gz YROJGKLTIOTYID-MNOVXSKESA-N 1 0 245.319 -0.021 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931636204 640300088 /nfs/dbraw/zinc/30/00/88/640300088.db2.gz YROJGKLTIOTYID-QWRGUYRKSA-N 1 0 245.319 -0.021 20 30 BBEDRO C=C(C)[C@H](CO)[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931636205 640298949 /nfs/dbraw/zinc/29/89/49/640298949.db2.gz YROJGKLTIOTYID-WDEREUQCSA-N 1 0 245.319 -0.021 20 30 BBEDRO C#CCOCC[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931638235 640299746 /nfs/dbraw/zinc/29/97/46/640299746.db2.gz OLXYCQNEQSMRRP-LLVKDONJSA-N 1 0 243.303 -0.308 20 30 BBEDRO C#CCOCC[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931638236 640299003 /nfs/dbraw/zinc/29/90/03/640299003.db2.gz OLXYCQNEQSMRRP-NSHDSACASA-N 1 0 243.303 -0.308 20 30 BBEDRO COCC#CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931653861 640304348 /nfs/dbraw/zinc/30/43/48/640304348.db2.gz NCXHBYKLVAZEQI-SECBINFHSA-N 1 0 210.277 -0.250 20 30 BBEDRO COCC#CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931653873 640305659 /nfs/dbraw/zinc/30/56/59/640305659.db2.gz NCXHBYKLVAZEQI-VIFPVBQESA-N 1 0 210.277 -0.250 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931662791 640306649 /nfs/dbraw/zinc/30/66/49/640306649.db2.gz BDRRBFSODDAGKI-BDAKNGLRSA-N 1 0 237.303 -0.762 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931662812 640307675 /nfs/dbraw/zinc/30/76/75/640307675.db2.gz BDRRBFSODDAGKI-DTWKUNHWSA-N 1 0 237.303 -0.762 20 30 BBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931662814 640310941 /nfs/dbraw/zinc/31/09/41/640310941.db2.gz BDRRBFSODDAGKI-IUCAKERBSA-N 1 0 237.303 -0.762 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931662815 640309178 /nfs/dbraw/zinc/30/91/78/640309178.db2.gz BDRRBFSODDAGKI-RKDXNWHRSA-N 1 0 237.303 -0.762 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931665128 640310005 /nfs/dbraw/zinc/31/00/05/640310005.db2.gz VSQDQXUMTZUIFI-BDAKNGLRSA-N 1 0 239.319 -0.209 20 30 BBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931665129 640309115 /nfs/dbraw/zinc/30/91/15/640309115.db2.gz VSQDQXUMTZUIFI-DTWKUNHWSA-N 1 0 239.319 -0.209 20 30 BBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931665130 640309003 /nfs/dbraw/zinc/30/90/03/640309003.db2.gz VSQDQXUMTZUIFI-IUCAKERBSA-N 1 0 239.319 -0.209 20 30 BBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931665131 640310178 /nfs/dbraw/zinc/31/01/78/640310178.db2.gz VSQDQXUMTZUIFI-RKDXNWHRSA-N 1 0 239.319 -0.209 20 30 BBEDRO CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@H](O)CC#N ZINC000931700075 640322603 /nfs/dbraw/zinc/32/26/03/640322603.db2.gz UTNAOPLBDGTIJA-GMTAPVOTSA-N 1 0 228.292 -0.003 20 30 BBEDRO CO[C@H]1COCC[C@H]1[N@H+](C)C[C@H](O)CC#N ZINC000931700077 640323145 /nfs/dbraw/zinc/32/31/45/640323145.db2.gz UTNAOPLBDGTIJA-MXWKQRLJSA-N 1 0 228.292 -0.003 20 30 BBEDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@H](O)CC#N ZINC000931700078 640322581 /nfs/dbraw/zinc/32/25/81/640322581.db2.gz UTNAOPLBDGTIJA-OUAUKWLOSA-N 1 0 228.292 -0.003 20 30 BBEDRO CO[C@H]1COCC[C@@H]1[N@H+](C)C[C@H](O)CC#N ZINC000931700080 640323012 /nfs/dbraw/zinc/32/30/12/640323012.db2.gz UTNAOPLBDGTIJA-VWYCJHECSA-N 1 0 228.292 -0.003 20 30 BBEDRO C#CCC1(O)CC[NH+](C[C@H](O)CO)CC1 ZINC000931700327 640323971 /nfs/dbraw/zinc/32/39/71/640323971.db2.gz NNYRSAFFLUHCMI-JTQLQIEISA-N 1 0 213.277 -0.810 20 30 BBEDRO C#CCC1(O)CC[NH+](C[C@@H](O)CO)CC1 ZINC000931700336 640325477 /nfs/dbraw/zinc/32/54/77/640325477.db2.gz NNYRSAFFLUHCMI-SNVBAGLBSA-N 1 0 213.277 -0.810 20 30 BBEDRO C#CCC1(O)CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000931700875 640324535 /nfs/dbraw/zinc/32/45/35/640324535.db2.gz RWJNHHOYBFVYOJ-GHMZBOCLSA-N 1 0 227.304 -0.422 20 30 BBEDRO C#CCC1(O)CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000931700882 640324606 /nfs/dbraw/zinc/32/46/06/640324606.db2.gz RWJNHHOYBFVYOJ-MNOVXSKESA-N 1 0 227.304 -0.422 20 30 BBEDRO C#CCC1(O)CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000931700884 640325440 /nfs/dbraw/zinc/32/54/40/640325440.db2.gz RWJNHHOYBFVYOJ-QWRGUYRKSA-N 1 0 227.304 -0.422 20 30 BBEDRO C#CCC1(O)CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000931700886 640324283 /nfs/dbraw/zinc/32/42/83/640324283.db2.gz RWJNHHOYBFVYOJ-WDEREUQCSA-N 1 0 227.304 -0.422 20 30 BBEDRO N#CC[C@@H](O)CN1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000931702634 640327211 /nfs/dbraw/zinc/32/72/11/640327211.db2.gz CQTSWINAIBITKT-AXFHLTTASA-N 1 0 237.303 -0.139 20 30 BBEDRO N#CC[C@@H](O)CN1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000931702635 640328062 /nfs/dbraw/zinc/32/80/62/640328062.db2.gz CQTSWINAIBITKT-GMTAPVOTSA-N 1 0 237.303 -0.139 20 30 BBEDRO N#CC[C@@H](O)CN1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000931702636 640327342 /nfs/dbraw/zinc/32/73/42/640327342.db2.gz CQTSWINAIBITKT-HBNTYKKESA-N 1 0 237.303 -0.139 20 30 BBEDRO N#CC[C@@H](O)CN1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000931702637 640326526 /nfs/dbraw/zinc/32/65/26/640326526.db2.gz CQTSWINAIBITKT-MXWKQRLJSA-N 1 0 237.303 -0.139 20 30 BBEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)NCC#N ZINC000931727261 640344166 /nfs/dbraw/zinc/34/41/66/640344166.db2.gz RRYWEGNPSWIHQM-WDEREUQCSA-N 1 0 236.319 -0.205 20 30 BBEDRO N#CC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000931745810 640348342 /nfs/dbraw/zinc/34/83/42/640348342.db2.gz FDKYLVJHEIBLPT-ZDCRXTMVSA-N 1 0 210.277 -0.036 20 30 BBEDRO C#CCC1([NH2+]C[C@@H](O)[C@@H](C)O)CCOCC1 ZINC000931760287 640354012 /nfs/dbraw/zinc/35/40/12/640354012.db2.gz IFVATPCIUXLMSB-GHMZBOCLSA-N 1 0 227.304 -0.110 20 30 BBEDRO C#CCC1([NH2+]C[C@H](O)[C@@H](C)O)CCOCC1 ZINC000931760288 640355005 /nfs/dbraw/zinc/35/50/05/640355005.db2.gz IFVATPCIUXLMSB-MNOVXSKESA-N 1 0 227.304 -0.110 20 30 BBEDRO C#CCC1([NH2+]C[C@H](O)[C@H](C)O)CCOCC1 ZINC000931760289 640354546 /nfs/dbraw/zinc/35/45/46/640354546.db2.gz IFVATPCIUXLMSB-QWRGUYRKSA-N 1 0 227.304 -0.110 20 30 BBEDRO C#CCC1([NH2+]C[C@@H](O)[C@H](C)O)CCOCC1 ZINC000931760290 640354415 /nfs/dbraw/zinc/35/44/15/640354415.db2.gz IFVATPCIUXLMSB-WDEREUQCSA-N 1 0 227.304 -0.110 20 30 BBEDRO C#CCC1([NH2+]C[C@H](O)CO)CCOCC1 ZINC000931762285 640355014 /nfs/dbraw/zinc/35/50/14/640355014.db2.gz XXDBYTGKDJHSRD-JTQLQIEISA-N 1 0 213.277 -0.498 20 30 BBEDRO C#CCC1([NH2+]C[C@@H](O)CO)CCOCC1 ZINC000931762287 640354151 /nfs/dbraw/zinc/35/41/51/640354151.db2.gz XXDBYTGKDJHSRD-SNVBAGLBSA-N 1 0 213.277 -0.498 20 30 BBEDRO CC[C@H](C)[C@H]([NH2+]C[C@H](O)CC#N)C(N)=O ZINC000931762630 640354114 /nfs/dbraw/zinc/35/41/14/640354114.db2.gz ZFOOSJYZJLCOBI-YIZRAAEISA-N 1 0 213.281 -0.249 20 30 BBEDRO CC[C@H](CO)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000931774893 640368476 /nfs/dbraw/zinc/36/84/76/640368476.db2.gz PBJQIOHXLHXUDI-SECBINFHSA-N 1 0 225.292 -0.091 20 30 BBEDRO CC[C@@H](CO)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000931774896 640368950 /nfs/dbraw/zinc/36/89/50/640368950.db2.gz PBJQIOHXLHXUDI-VIFPVBQESA-N 1 0 225.292 -0.091 20 30 BBEDRO C=CCN(C)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931883448 640385976 /nfs/dbraw/zinc/38/59/76/640385976.db2.gz NZEYKFIGVKJLHO-SECBINFHSA-N 1 0 225.292 -0.549 20 30 BBEDRO C=CCN(C)C(=O)C(=O)NC[C@@H]1CCN1C ZINC000931883450 640384690 /nfs/dbraw/zinc/38/46/90/640384690.db2.gz NZEYKFIGVKJLHO-VIFPVBQESA-N 1 0 225.292 -0.549 20 30 BBEDRO C#CCN(Cc1nc(=O)n(C)[nH]1)C(C)C ZINC000932387202 640514839 /nfs/dbraw/zinc/51/48/39/640514839.db2.gz BFQFTBORDFVMDB-UHFFFAOYSA-N 1 0 208.265 -0.048 20 30 BBEDRO C#CC[N@@H+](CCN1C(=O)CNC1=O)C(C)C ZINC000932392382 640519111 /nfs/dbraw/zinc/51/91/11/640519111.db2.gz IJJMDWGGAIDJPZ-UHFFFAOYSA-N 1 0 223.276 -0.118 20 30 BBEDRO C#CC[N@@H+](CCC(=O)NC(N)=O)C(C)C ZINC000932392749 640520422 /nfs/dbraw/zinc/52/04/22/640520422.db2.gz PENCPVKEDOZESR-UHFFFAOYSA-N 1 0 211.265 -0.085 20 30 BBEDRO C#CC[N@H+](CC(=O)NC(N)=O)C(C)(C)C ZINC000932462036 640533863 /nfs/dbraw/zinc/53/38/63/640533863.db2.gz YFNQQDNHIGKZPG-UHFFFAOYSA-N 1 0 211.265 -0.085 20 30 BBEDRO C=CCN1CC[C@H]([N@H+](CC)CCC(N)=O)C1=O ZINC000932478826 640546127 /nfs/dbraw/zinc/54/61/27/640546127.db2.gz LTSUAQWNJUJCLF-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C=CCN1CC[C@@H]([N@H+](CC)CCC(N)=O)C1=O ZINC000932478827 640544554 /nfs/dbraw/zinc/54/45/54/640544554.db2.gz LTSUAQWNJUJCLF-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO C#CCNC(=O)CC[N@H+](CC)CCC(N)=O ZINC000932480147 643305604 /nfs/dbraw/zinc/30/56/04/643305604.db2.gz SEJCPZCHSYEPLO-UHFFFAOYSA-N 1 0 225.292 -0.677 20 30 BBEDRO CC[N@H+](CCC(N)=O)CC(=O)NCCC#N ZINC000932482003 640550315 /nfs/dbraw/zinc/55/03/15/640550315.db2.gz IBGPYCUDIXXPRS-UHFFFAOYSA-N 1 0 226.280 -0.786 20 30 BBEDRO C=CCNC(=O)C[N@H+](CC)CCC(N)=O ZINC000932482643 640549595 /nfs/dbraw/zinc/54/95/95/640549595.db2.gz WVWZQULXDQHMPQ-UHFFFAOYSA-N 1 0 213.281 -0.514 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1COC[C@H]1C ZINC000932497901 640558923 /nfs/dbraw/zinc/55/89/23/640558923.db2.gz MWTMFHLFCRSPFP-BDAKNGLRSA-N 1 0 241.291 -0.377 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1COC[C@@H]1C ZINC000932497903 640557394 /nfs/dbraw/zinc/55/73/94/640557394.db2.gz MWTMFHLFCRSPFP-DTWKUNHWSA-N 1 0 241.291 -0.377 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1COC[C@@H]1C ZINC000932497905 640558211 /nfs/dbraw/zinc/55/82/11/640558211.db2.gz MWTMFHLFCRSPFP-IUCAKERBSA-N 1 0 241.291 -0.377 20 30 BBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1COC[C@H]1C ZINC000932497907 640557832 /nfs/dbraw/zinc/55/78/32/640557832.db2.gz MWTMFHLFCRSPFP-RKDXNWHRSA-N 1 0 241.291 -0.377 20 30 BBEDRO CC#CC[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932833707 640614384 /nfs/dbraw/zinc/61/43/84/640614384.db2.gz SNRRLQOSVXKEBF-LLVKDONJSA-N 1 0 236.315 -0.027 20 30 BBEDRO CC#CC[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000932833708 640615042 /nfs/dbraw/zinc/61/50/42/640615042.db2.gz SNRRLQOSVXKEBF-NSHDSACASA-N 1 0 236.315 -0.027 20 30 BBEDRO C#CCNC(=O)CC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934871 640648249 /nfs/dbraw/zinc/64/82/49/640648249.db2.gz RAGARJXSYKOKEM-UHFFFAOYSA-N 1 0 249.314 -0.392 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946562 640650629 /nfs/dbraw/zinc/65/06/29/640650629.db2.gz HAZMBLBIJLCIIQ-SECBINFHSA-N 1 0 216.306 -0.380 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946567 640650024 /nfs/dbraw/zinc/65/00/24/640650024.db2.gz HAZMBLBIJLCIIQ-VIFPVBQESA-N 1 0 216.306 -0.380 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932952073 640653841 /nfs/dbraw/zinc/65/38/41/640653841.db2.gz LZYRGUIXWNFMDL-SECBINFHSA-N 1 0 216.306 -0.380 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932952074 640654130 /nfs/dbraw/zinc/65/41/30/640654130.db2.gz LZYRGUIXWNFMDL-VIFPVBQESA-N 1 0 216.306 -0.380 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932953197 640654025 /nfs/dbraw/zinc/65/40/25/640654025.db2.gz UZJNHAPDORGVEQ-JTQLQIEISA-N 1 0 246.332 -0.753 20 30 BBEDRO COCC#CC[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932953198 640652567 /nfs/dbraw/zinc/65/25/67/640652567.db2.gz UZJNHAPDORGVEQ-SNVBAGLBSA-N 1 0 246.332 -0.753 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932959168 640653890 /nfs/dbraw/zinc/65/38/90/640653890.db2.gz VZRGQFDFCBEGNQ-MRVPVSSYSA-N 1 0 202.279 -0.770 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932959169 640653107 /nfs/dbraw/zinc/65/31/07/640653107.db2.gz VZRGQFDFCBEGNQ-QMMMGPOBSA-N 1 0 202.279 -0.770 20 30 BBEDRO C=CC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932961245 640652243 /nfs/dbraw/zinc/65/22/43/640652243.db2.gz NRAWMWPLXBJPPK-MRVPVSSYSA-N 1 0 204.295 -0.217 20 30 BBEDRO C=CC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932961249 640653291 /nfs/dbraw/zinc/65/32/91/640653291.db2.gz NRAWMWPLXBJPPK-QMMMGPOBSA-N 1 0 204.295 -0.217 20 30 BBEDRO C=CC[C@@H](C)[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933091612 640666404 /nfs/dbraw/zinc/66/64/04/640666404.db2.gz BFPTXDXRXNEZSA-NXEZZACHSA-N 1 0 245.348 -0.215 20 30 BBEDRO C=CC[C@H](C)[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933091619 640667522 /nfs/dbraw/zinc/66/75/22/640667522.db2.gz BFPTXDXRXNEZSA-UWVGGRQHSA-N 1 0 245.348 -0.215 20 30 BBEDRO C=CC[C@H](C)[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933091621 640667462 /nfs/dbraw/zinc/66/74/62/640667462.db2.gz BFPTXDXRXNEZSA-VHSXEESVSA-N 1 0 245.348 -0.215 20 30 BBEDRO C=CC[C@@H](C)[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933091622 640668026 /nfs/dbraw/zinc/66/80/26/640668026.db2.gz BFPTXDXRXNEZSA-ZJUUUORDSA-N 1 0 245.348 -0.215 20 30 BBEDRO C=CCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933097068 640668192 /nfs/dbraw/zinc/66/81/92/640668192.db2.gz QSHCXJPSEWZGTN-SECBINFHSA-N 1 0 231.321 -0.603 20 30 BBEDRO C=CCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933097071 640668308 /nfs/dbraw/zinc/66/83/08/640668308.db2.gz QSHCXJPSEWZGTN-VIFPVBQESA-N 1 0 231.321 -0.603 20 30 BBEDRO C#CCCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933101389 640666902 /nfs/dbraw/zinc/66/69/02/640666902.db2.gz RPFINAFCRHXQQN-SNVBAGLBSA-N 1 0 243.332 -0.766 20 30 BBEDRO C=CCCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933103241 711502747 /nfs/dbraw/zinc/50/27/47/711502747.db2.gz DDOAQKYGSSSOJX-JTQLQIEISA-N 1 0 245.348 -0.213 20 30 BBEDRO C=CCCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933103243 711502417 /nfs/dbraw/zinc/50/24/17/711502417.db2.gz DDOAQKYGSSSOJX-SNVBAGLBSA-N 1 0 245.348 -0.213 20 30 BBEDRO C=CCN1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933105750 640668861 /nfs/dbraw/zinc/66/88/61/640668861.db2.gz IFKIVKBVEFSKIG-MRVPVSSYSA-N 1 0 217.294 -0.993 20 30 BBEDRO C=CCN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933105757 640668693 /nfs/dbraw/zinc/66/86/93/640668693.db2.gz IFKIVKBVEFSKIG-QMMMGPOBSA-N 1 0 217.294 -0.993 20 30 BBEDRO C#CCNC(=O)CN1CCCNC(=O)[C@@H]1CC ZINC000933223266 640686178 /nfs/dbraw/zinc/68/61/78/640686178.db2.gz AVCRXCQFTHUHIG-JTQLQIEISA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCNC(=O)CN1CCCNC(=O)[C@H]1CC ZINC000933223268 640684909 /nfs/dbraw/zinc/68/49/09/640684909.db2.gz AVCRXCQFTHUHIG-SNVBAGLBSA-N 1 0 237.303 -0.664 20 30 BBEDRO C#CCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC000933295991 642499680 /nfs/dbraw/zinc/49/96/80/642499680.db2.gz ZATCNCXOKBSGRT-UHFFFAOYSA-N 1 0 209.249 -0.283 20 30 BBEDRO C#CCC1([NH2+]CC(=O)N2CCNC(=O)C2)CCC1 ZINC000933304402 631217436 /nfs/dbraw/zinc/21/74/36/631217436.db2.gz LPLUNPGLGOTFFD-UHFFFAOYSA-N 1 0 249.314 -0.520 20 30 BBEDRO C#CCC1([NH2+]CC(=O)NC(=O)NC)CCC1 ZINC000933305043 640702968 /nfs/dbraw/zinc/70/29/68/640702968.db2.gz WYIQJSKNBDLHJH-UHFFFAOYSA-N 1 0 223.276 -0.022 20 30 BBEDRO N#CCNC(=O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933391079 631352670 /nfs/dbraw/zinc/35/26/70/631352670.db2.gz FCLNVDPLELYYDF-JOYOIKCWSA-N 1 0 235.287 -0.073 20 30 BBEDRO CC[N@H+](C)C[C@@H](O)CN1CCO[C@](C)(C#N)C1 ZINC000933604086 640723913 /nfs/dbraw/zinc/72/39/13/640723913.db2.gz AMIZQYLVPSGYQG-VXGBXAGGSA-N 1 0 241.335 -0.087 20 30 BBEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933696867 640743121 /nfs/dbraw/zinc/74/31/21/640743121.db2.gz BKPVSLYENXUQPT-ZJUUUORDSA-N 1 0 230.333 -0.134 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701314 640749096 /nfs/dbraw/zinc/74/90/96/640749096.db2.gz ZJPRZLMXJWGJID-ZJUUUORDSA-N 1 0 230.333 -0.134 20 30 BBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701908 640747361 /nfs/dbraw/zinc/74/73/61/640747361.db2.gz NLLSLYCREUIGTP-BDAKNGLRSA-N 1 0 216.306 -0.524 20 30 BBEDRO C[N@@H+]1C[C@@H]2CN(CC(=O)NCC#N)C[C@]2(C)C1 ZINC000933742723 640760810 /nfs/dbraw/zinc/76/08/10/640760810.db2.gz RFWSQUMABZKEFK-PWSUYJOCSA-N 1 0 236.319 -0.490 20 30 BBEDRO N#CC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754835 640763690 /nfs/dbraw/zinc/76/36/90/640763690.db2.gz DTSWNVFIZIESOZ-UMNHJUIQSA-N 1 0 237.303 -0.152 20 30 BBEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933763184 640765443 /nfs/dbraw/zinc/76/54/43/640765443.db2.gz RZWBYIQGFOHALS-GWCFXTLKSA-N 1 0 249.314 -0.677 20 30 BBEDRO CC[N@H+](CCC(=O)NC)C[C@H](O)CC#N ZINC000933861926 640774209 /nfs/dbraw/zinc/77/42/09/640774209.db2.gz DUZUXFUNOLTIPW-SECBINFHSA-N 1 0 213.281 -0.281 20 30 BBEDRO C#CCNC(=O)CC[N@H+](CC)CCC(=O)NC ZINC000933862775 640774382 /nfs/dbraw/zinc/77/43/82/640774382.db2.gz OTJMLVLDPUQNGM-UHFFFAOYSA-N 1 0 239.319 -0.416 20 30 BBEDRO C#CCNC(=O)C[N@H+](CC)CCC(=O)NC ZINC000933866331 640776652 /nfs/dbraw/zinc/77/66/52/640776652.db2.gz AYIPJPLFHIQTBU-UHFFFAOYSA-N 1 0 225.292 -0.806 20 30 BBEDRO CC[N@H+](CCC(=O)NC)CC(=O)NCC#N ZINC000933866599 640777869 /nfs/dbraw/zinc/77/78/69/640777869.db2.gz QWFXYSKDDSGYEI-UHFFFAOYSA-N 1 0 226.280 -0.916 20 30 BBEDRO CC[N@H+](CCC(=O)NC)CC(=O)NCCC#N ZINC000933868746 640777043 /nfs/dbraw/zinc/77/70/43/640777043.db2.gz AIHKKJDINHYLBH-UHFFFAOYSA-N 1 0 240.307 -0.526 20 30 BBEDRO C=CCNC(=O)C[N@H+](CC)CCC(=O)NC ZINC000933869046 631537876 /nfs/dbraw/zinc/53/78/76/631537876.db2.gz KRCJRNGMRJBFIX-UHFFFAOYSA-N 1 0 227.308 -0.253 20 30 BBEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)CCC(=O)NC ZINC000933869267 640777422 /nfs/dbraw/zinc/77/74/22/640777422.db2.gz RPKRWZMPYPHPFJ-JTQLQIEISA-N 1 0 239.319 -0.418 20 30 BBEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCC(=O)NC ZINC000933869268 640774508 /nfs/dbraw/zinc/77/45/08/640774508.db2.gz RPKRWZMPYPHPFJ-SNVBAGLBSA-N 1 0 239.319 -0.418 20 30 BBEDRO C#CCOCC[NH+]1CCN(C)CCN(C)CC1 ZINC000933990320 640798497 /nfs/dbraw/zinc/79/84/97/640798497.db2.gz ICHQUPPGYMYQLI-UHFFFAOYSA-N 1 0 239.363 -0.185 20 30 BBEDRO COCC#CCN1CCN(C)CC[N@H+](C)CC1 ZINC000933992906 640802578 /nfs/dbraw/zinc/80/25/78/640802578.db2.gz PTLFQLNDUDQILN-UHFFFAOYSA-N 1 0 239.363 -0.185 20 30 BBEDRO C=CCN1CC[C@@H](N2CC[C@@H]2CO)C1=O ZINC000934014995 631596458 /nfs/dbraw/zinc/59/64/58/631596458.db2.gz PVSKJZJFIKORFW-NXEZZACHSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=CCN1CC[C@H](N2CC[C@H]2CO)C1=O ZINC000934014999 631594712 /nfs/dbraw/zinc/59/47/12/631594712.db2.gz PVSKJZJFIKORFW-UWVGGRQHSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=CCN1CC[C@@H](N2CC[C@H]2CO)C1=O ZINC000934015002 631595738 /nfs/dbraw/zinc/59/57/38/631595738.db2.gz PVSKJZJFIKORFW-VHSXEESVSA-N 1 0 210.277 -0.160 20 30 BBEDRO C=CCN1CC[C@H](N2CC[C@@H]2CO)C1=O ZINC000934015005 631596538 /nfs/dbraw/zinc/59/65/38/631596538.db2.gz PVSKJZJFIKORFW-ZJUUUORDSA-N 1 0 210.277 -0.160 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]1CO ZINC000934016173 631611635 /nfs/dbraw/zinc/61/16/35/631611635.db2.gz KXNIDXDQVWSWPN-JTQLQIEISA-N 1 0 225.292 -0.185 20 30 BBEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]1CO ZINC000934016174 631612122 /nfs/dbraw/zinc/61/21/22/631612122.db2.gz KXNIDXDQVWSWPN-SNVBAGLBSA-N 1 0 225.292 -0.185 20 30 BBEDRO C#CCNC(=O)CC[NH2+][C@@H]1COCC[C@H]1OC ZINC000934035272 631636024 /nfs/dbraw/zinc/63/60/24/631636024.db2.gz LDTQBBLFZYTHDD-GHMZBOCLSA-N 1 0 240.303 -0.481 20 30 BBEDRO C=CCNC(=O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000934041784 631622756 /nfs/dbraw/zinc/62/27/56/631622756.db2.gz IDZMMRATCGPFQV-NXEZZACHSA-N 1 0 228.292 -0.318 20 30 BBEDRO C#CCNC(=O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000934044233 631625766 /nfs/dbraw/zinc/62/57/66/631625766.db2.gz SEUPZTUZMIVBQI-NXEZZACHSA-N 1 0 226.276 -0.871 20 30 BBEDRO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)NCC#N ZINC000934123235 631700713 /nfs/dbraw/zinc/70/07/13/631700713.db2.gz CHNSSURCMAZSPV-BDAKNGLRSA-N 1 0 211.265 -0.265 20 30 BBEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)NCC#N ZINC000934123240 631702060 /nfs/dbraw/zinc/70/20/60/631702060.db2.gz CHNSSURCMAZSPV-DTWKUNHWSA-N 1 0 211.265 -0.265 20 30 BBEDRO CO[C@H]1CC[C@@H]1[N@H+](C)CC(=O)NCC#N ZINC000934123243 631701607 /nfs/dbraw/zinc/70/16/07/631701607.db2.gz CHNSSURCMAZSPV-IUCAKERBSA-N 1 0 211.265 -0.265 20 30 BBEDRO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)NCC#N ZINC000934123245 631700661 /nfs/dbraw/zinc/70/06/61/631700661.db2.gz CHNSSURCMAZSPV-RKDXNWHRSA-N 1 0 211.265 -0.265 20 30 BBEDRO C#CCC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934223109 641104348 /nfs/dbraw/zinc/10/43/48/641104348.db2.gz RDSMKKKXGNHPGF-LLVKDONJSA-N 1 0 220.276 -0.260 20 30 BBEDRO C#CCC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934223110 641104133 /nfs/dbraw/zinc/10/41/33/641104133.db2.gz RDSMKKKXGNHPGF-NSHDSACASA-N 1 0 220.276 -0.260 20 30 BBEDRO C=CC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934226324 641107193 /nfs/dbraw/zinc/10/71/93/641107193.db2.gz LAKIFJJLLIFVDF-JTQLQIEISA-N 1 0 208.265 -0.097 20 30 BBEDRO C=CC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934226325 641106614 /nfs/dbraw/zinc/10/66/14/641106614.db2.gz LAKIFJJLLIFVDF-SNVBAGLBSA-N 1 0 208.265 -0.097 20 30 BBEDRO C#CC1(O)CN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000934443866 641144900 /nfs/dbraw/zinc/14/49/00/641144900.db2.gz FQPBOMMKBXABKO-LLVKDONJSA-N 1 0 224.304 -0.877 20 30 BBEDRO C#CC1(O)CN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000934443867 641144454 /nfs/dbraw/zinc/14/44/54/641144454.db2.gz FQPBOMMKBXABKO-NSHDSACASA-N 1 0 224.304 -0.877 20 30 BBEDRO C#CC1(O)CN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000934447452 631840774 /nfs/dbraw/zinc/84/07/74/631840774.db2.gz CMIRQCJNMASIFT-LLVKDONJSA-N 1 0 226.320 -0.633 20 30 BBEDRO C#CC1(O)CN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000934447453 631840614 /nfs/dbraw/zinc/84/06/14/631840614.db2.gz CMIRQCJNMASIFT-NSHDSACASA-N 1 0 226.320 -0.633 20 30 BBEDRO C#CC1(O)CN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000934449465 641148494 /nfs/dbraw/zinc/14/84/94/641148494.db2.gz XWGUBZZHPMCJSX-LLVKDONJSA-N 1 0 224.304 -0.879 20 30 BBEDRO C#CC1(O)CN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000934449466 641141888 /nfs/dbraw/zinc/14/18/88/641141888.db2.gz XWGUBZZHPMCJSX-NSHDSACASA-N 1 0 224.304 -0.879 20 30 BBEDRO C#CC1(O)CN(CCn2ccnc2C)C1 ZINC000934450319 711586775 /nfs/dbraw/zinc/58/67/75/711586775.db2.gz XXMFUPPVTITATJ-UHFFFAOYSA-N 1 0 205.261 -0.129 20 30 BBEDRO C=CC[C@@H]1CC[N@H+]1CCS(N)(=O)=O ZINC000934463206 641158666 /nfs/dbraw/zinc/15/86/66/641158666.db2.gz VBNKLRHYYBPKJK-MRVPVSSYSA-N 1 0 204.295 -0.075 20 30 BBEDRO C=CC[C@H]1CC[N@H+]1CCS(N)(=O)=O ZINC000934463207 641157149 /nfs/dbraw/zinc/15/71/49/641157149.db2.gz VBNKLRHYYBPKJK-QMMMGPOBSA-N 1 0 204.295 -0.075 20 30 BBEDRO C=CC[C@@H]1CCN1CC(=O)NCC(=O)OC ZINC000934473449 641168113 /nfs/dbraw/zinc/16/81/13/641168113.db2.gz YKDYGQHPKXVQCY-SECBINFHSA-N 1 0 226.276 -0.074 20 30 BBEDRO C=CC[C@H]1CCN1CC(=O)NCC(=O)OC ZINC000934473451 641166085 /nfs/dbraw/zinc/16/60/85/641166085.db2.gz YKDYGQHPKXVQCY-VIFPVBQESA-N 1 0 226.276 -0.074 20 30 BBEDRO C[NH+]1CCC(OCC(=O)NCC#CCO)CC1 ZINC000935843053 641494803 /nfs/dbraw/zinc/49/48/03/641494803.db2.gz INPUYMFFNMFIAI-UHFFFAOYSA-N 1 0 240.303 -0.791 20 30 BBEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC#CCO ZINC000935843436 641495119 /nfs/dbraw/zinc/49/51/19/641495119.db2.gz UHSCPDRIZPXYRG-LLVKDONJSA-N 1 0 224.304 -0.029 20 30 BBEDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC#CCO ZINC000935843437 641494307 /nfs/dbraw/zinc/49/43/07/641494307.db2.gz UHSCPDRIZPXYRG-NSHDSACASA-N 1 0 224.304 -0.029 20 30 BBEDRO CC(C)(C)[NH2+]CCC(=O)NCC(=O)NCC#N ZINC000935961489 641507767 /nfs/dbraw/zinc/50/77/67/641507767.db2.gz CXWXXUGUYJRSQQ-UHFFFAOYSA-N 1 0 240.307 -0.479 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC000939038759 642835072 /nfs/dbraw/zinc/83/50/72/642835072.db2.gz BBTBUWYWQSTRKK-NXEZZACHSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C ZINC000939038760 642834497 /nfs/dbraw/zinc/83/44/97/642834497.db2.gz BBTBUWYWQSTRKK-UWVGGRQHSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C ZINC000939038761 642834995 /nfs/dbraw/zinc/83/49/95/642834995.db2.gz BBTBUWYWQSTRKK-VHSXEESVSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC000939038762 642834544 /nfs/dbraw/zinc/83/45/44/642834544.db2.gz BBTBUWYWQSTRKK-ZJUUUORDSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC000939307089 642863809 /nfs/dbraw/zinc/86/38/09/642863809.db2.gz MOQWRQIXHGSIBS-MWLCHTKSSA-N 1 0 247.302 -0.502 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC000939337077 642864277 /nfs/dbraw/zinc/86/42/77/642864277.db2.gz GHTHSUNDBQKETR-BDAKNGLRSA-N 1 0 233.275 -0.512 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC000939337078 642864415 /nfs/dbraw/zinc/86/44/15/642864415.db2.gz GHTHSUNDBQKETR-DTWKUNHWSA-N 1 0 233.275 -0.512 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC000939337079 642864308 /nfs/dbraw/zinc/86/43/08/642864308.db2.gz GHTHSUNDBQKETR-IUCAKERBSA-N 1 0 233.275 -0.512 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC000939337080 642865290 /nfs/dbraw/zinc/86/52/90/642865290.db2.gz GHTHSUNDBQKETR-RKDXNWHRSA-N 1 0 233.275 -0.512 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1C ZINC000939348626 642865333 /nfs/dbraw/zinc/86/53/33/642865333.db2.gz MEAFNDORTKJPOZ-PSASIEDQSA-N 1 0 234.259 -0.247 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC000939498218 642874430 /nfs/dbraw/zinc/87/44/30/642874430.db2.gz DNERJSROIZPUOK-NXEZZACHSA-N 1 0 247.302 -0.583 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC000939499372 642874808 /nfs/dbraw/zinc/87/48/08/642874808.db2.gz NGTRBYBGKDNONJ-NXEZZACHSA-N 1 0 249.318 -0.030 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1C ZINC000939499373 642875950 /nfs/dbraw/zinc/87/59/50/642875950.db2.gz NGTRBYBGKDNONJ-UWVGGRQHSA-N 1 0 249.318 -0.030 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1C ZINC000939499374 642875743 /nfs/dbraw/zinc/87/57/43/642875743.db2.gz NGTRBYBGKDNONJ-VHSXEESVSA-N 1 0 249.318 -0.030 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC000939499375 642875209 /nfs/dbraw/zinc/87/52/09/642875209.db2.gz NGTRBYBGKDNONJ-ZJUUUORDSA-N 1 0 249.318 -0.030 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC000939686789 642886166 /nfs/dbraw/zinc/88/61/66/642886166.db2.gz HMLFUNXDZJYLOY-GHMZBOCLSA-N 1 0 249.318 -0.099 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC000939686791 642886822 /nfs/dbraw/zinc/88/68/22/642886822.db2.gz HMLFUNXDZJYLOY-MNOVXSKESA-N 1 0 249.318 -0.099 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC000939686793 642885831 /nfs/dbraw/zinc/88/58/31/642885831.db2.gz HMLFUNXDZJYLOY-QWRGUYRKSA-N 1 0 249.318 -0.099 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC000939686794 642885407 /nfs/dbraw/zinc/88/54/07/642885407.db2.gz HMLFUNXDZJYLOY-WDEREUQCSA-N 1 0 249.318 -0.099 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC000939688556 642887026 /nfs/dbraw/zinc/88/70/26/642887026.db2.gz QEGXEBYEDFMCDB-GHMZBOCLSA-N 1 0 247.302 -0.652 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC000939688557 642885887 /nfs/dbraw/zinc/88/58/87/642885887.db2.gz QEGXEBYEDFMCDB-MNOVXSKESA-N 1 0 247.302 -0.652 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC000939688558 642886300 /nfs/dbraw/zinc/88/63/00/642886300.db2.gz QEGXEBYEDFMCDB-QWRGUYRKSA-N 1 0 247.302 -0.652 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC000939688559 642885757 /nfs/dbraw/zinc/88/57/57/642885757.db2.gz QEGXEBYEDFMCDB-WDEREUQCSA-N 1 0 247.302 -0.652 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC000939856451 711892786 /nfs/dbraw/zinc/89/27/86/711892786.db2.gz MIDZMXJNKVHGSO-VXGBXAGGSA-N 1 0 246.314 -0.047 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000940992381 643065939 /nfs/dbraw/zinc/06/59/39/643065939.db2.gz CHAVMAKJSJBFPU-SECBINFHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000940992386 643066215 /nfs/dbraw/zinc/06/62/15/643066215.db2.gz CHAVMAKJSJBFPU-VIFPVBQESA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000940993690 643063558 /nfs/dbraw/zinc/06/35/58/643063558.db2.gz MMWOIAOFEZAVMO-SECBINFHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000940993691 643062224 /nfs/dbraw/zinc/06/22/24/643062224.db2.gz MMWOIAOFEZAVMO-VIFPVBQESA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942215508 643174460 /nfs/dbraw/zinc/17/44/60/643174460.db2.gz DYLCMANGMIXTJJ-NXEZZACHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942215509 643175546 /nfs/dbraw/zinc/17/55/46/643175546.db2.gz DYLCMANGMIXTJJ-UWVGGRQHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942215510 643175631 /nfs/dbraw/zinc/17/56/31/643175631.db2.gz DYLCMANGMIXTJJ-VHSXEESVSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942215511 643174315 /nfs/dbraw/zinc/17/43/15/643174315.db2.gz DYLCMANGMIXTJJ-ZJUUUORDSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942590872 643203888 /nfs/dbraw/zinc/20/38/88/643203888.db2.gz BBMNTMMSOIOZES-NXEZZACHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942590873 643202461 /nfs/dbraw/zinc/20/24/61/643202461.db2.gz BBMNTMMSOIOZES-UWVGGRQHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942590874 643202965 /nfs/dbraw/zinc/20/29/65/643202965.db2.gz BBMNTMMSOIOZES-VHSXEESVSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942590875 643203358 /nfs/dbraw/zinc/20/33/58/643203358.db2.gz BBMNTMMSOIOZES-ZJUUUORDSA-N 1 0 237.303 -0.678 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942590900 643202998 /nfs/dbraw/zinc/20/29/98/643202998.db2.gz BMEMPVDNBUJCOI-BDAKNGLRSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942590901 643204264 /nfs/dbraw/zinc/20/42/64/643204264.db2.gz BMEMPVDNBUJCOI-DTWKUNHWSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942590902 643203900 /nfs/dbraw/zinc/20/39/00/643203900.db2.gz BMEMPVDNBUJCOI-IUCAKERBSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942590903 643202403 /nfs/dbraw/zinc/20/24/03/643202403.db2.gz BMEMPVDNBUJCOI-RKDXNWHRSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942591159 643204152 /nfs/dbraw/zinc/20/41/52/643204152.db2.gz FNWQNSYKRDNSSI-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942591160 643203073 /nfs/dbraw/zinc/20/30/73/643203073.db2.gz FNWQNSYKRDNSSI-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942591161 643204230 /nfs/dbraw/zinc/20/42/30/643204230.db2.gz FNWQNSYKRDNSSI-VHSXEESVSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942591162 643203779 /nfs/dbraw/zinc/20/37/79/643203779.db2.gz FNWQNSYKRDNSSI-ZJUUUORDSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942593896 643203477 /nfs/dbraw/zinc/20/34/77/643203477.db2.gz AAUILUDEJCSDTE-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942593897 643202759 /nfs/dbraw/zinc/20/27/59/643202759.db2.gz AAUILUDEJCSDTE-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942593898 643204177 /nfs/dbraw/zinc/20/41/77/643204177.db2.gz AAUILUDEJCSDTE-VHSXEESVSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942593899 643203070 /nfs/dbraw/zinc/20/30/70/643203070.db2.gz AAUILUDEJCSDTE-ZJUUUORDSA-N 1 0 239.319 -0.126 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942594318 643203241 /nfs/dbraw/zinc/20/32/41/643203241.db2.gz HFDVKAWTHNCAMU-NXEZZACHSA-N 1 0 237.303 -0.678 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942594319 643202899 /nfs/dbraw/zinc/20/28/99/643202899.db2.gz HFDVKAWTHNCAMU-UWVGGRQHSA-N 1 0 237.303 -0.678 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942594320 643203321 /nfs/dbraw/zinc/20/33/21/643203321.db2.gz HFDVKAWTHNCAMU-VHSXEESVSA-N 1 0 237.303 -0.678 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942594321 643202983 /nfs/dbraw/zinc/20/29/83/643202983.db2.gz HFDVKAWTHNCAMU-ZJUUUORDSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943675946 643252158 /nfs/dbraw/zinc/25/21/58/643252158.db2.gz RZJJFKMRLLEYTP-NXEZZACHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943675948 643251741 /nfs/dbraw/zinc/25/17/41/643251741.db2.gz RZJJFKMRLLEYTP-UWVGGRQHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943675949 643252652 /nfs/dbraw/zinc/25/26/52/643252652.db2.gz RZJJFKMRLLEYTP-VHSXEESVSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943675950 643252758 /nfs/dbraw/zinc/25/27/58/643252758.db2.gz RZJJFKMRLLEYTP-ZJUUUORDSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946747111 644154866 /nfs/dbraw/zinc/15/48/66/644154866.db2.gz MHLMQRFILHFIPS-PHIMTYICSA-N 1 0 249.314 -0.725 20 30 BBEDRO C#CC[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947667625 641750863 /nfs/dbraw/zinc/75/08/63/641750863.db2.gz RWUPNYCOWBVWEO-BDAKNGLRSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947667626 641751527 /nfs/dbraw/zinc/75/15/27/641751527.db2.gz RWUPNYCOWBVWEO-DTWKUNHWSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947667627 641752782 /nfs/dbraw/zinc/75/27/82/641752782.db2.gz RWUPNYCOWBVWEO-IUCAKERBSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947667628 641751274 /nfs/dbraw/zinc/75/12/74/641751274.db2.gz RWUPNYCOWBVWEO-RKDXNWHRSA-N 1 0 223.276 -0.926 20 30 BBEDRO C=CC[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947668141 641751016 /nfs/dbraw/zinc/75/10/16/641751016.db2.gz VJFZRVKISFJWRZ-BDAKNGLRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947668146 641751084 /nfs/dbraw/zinc/75/10/84/641751084.db2.gz VJFZRVKISFJWRZ-DTWKUNHWSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947668149 641752597 /nfs/dbraw/zinc/75/25/97/641752597.db2.gz VJFZRVKISFJWRZ-IUCAKERBSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947668151 641751538 /nfs/dbraw/zinc/75/15/38/641751538.db2.gz VJFZRVKISFJWRZ-RKDXNWHRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947675514 634020752 /nfs/dbraw/zinc/02/07/52/634020752.db2.gz IHJZXBHSVCKUSV-NXEZZACHSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947675515 634019763 /nfs/dbraw/zinc/01/97/63/634019763.db2.gz IHJZXBHSVCKUSV-UWVGGRQHSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947675516 634020403 /nfs/dbraw/zinc/02/04/03/634020403.db2.gz IHJZXBHSVCKUSV-VHSXEESVSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947675517 634021232 /nfs/dbraw/zinc/02/12/32/634021232.db2.gz IHJZXBHSVCKUSV-ZJUUUORDSA-N 1 0 237.303 -0.536 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947679914 641751892 /nfs/dbraw/zinc/75/18/92/641751892.db2.gz PCLQBFFKWUDOEZ-NXEZZACHSA-N 1 0 237.303 -0.536 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947679915 641752490 /nfs/dbraw/zinc/75/24/90/641752490.db2.gz PCLQBFFKWUDOEZ-UWVGGRQHSA-N 1 0 237.303 -0.536 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947679916 641752338 /nfs/dbraw/zinc/75/23/38/641752338.db2.gz PCLQBFFKWUDOEZ-VHSXEESVSA-N 1 0 237.303 -0.536 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947679917 641751224 /nfs/dbraw/zinc/75/12/24/641751224.db2.gz PCLQBFFKWUDOEZ-ZJUUUORDSA-N 1 0 237.303 -0.536 20 30 BBEDRO C=CCC[NH+]1CCN(C(=O)Cn2nccn2)CC1 ZINC000948545085 641808819 /nfs/dbraw/zinc/80/88/19/641808819.db2.gz IBXVJBGXNVCKRY-UHFFFAOYSA-N 1 0 249.318 -0.002 20 30 BBEDRO C=CC[N@H+]1CCC[C@H](N(C)C(=O)C(N)=O)CC1 ZINC000948730333 641820810 /nfs/dbraw/zinc/82/08/10/641820810.db2.gz WRQYVLKPTQLLOY-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 ZINC000948730334 641821172 /nfs/dbraw/zinc/82/11/72/641821172.db2.gz WRQYVLKPTQLLOY-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO C#CC[N@H+]1CCC[C@H](N(C)C(=O)C(N)=O)CC1 ZINC000948730383 641819479 /nfs/dbraw/zinc/81/94/79/641819479.db2.gz XGQBHRYYRGHTPJ-JTQLQIEISA-N 1 0 237.303 -0.582 20 30 BBEDRO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 ZINC000948730390 641819709 /nfs/dbraw/zinc/81/97/09/641819709.db2.gz XGQBHRYYRGHTPJ-SNVBAGLBSA-N 1 0 237.303 -0.582 20 30 BBEDRO C=C(C)CN1CCN(C(=O)C(N)=O)CC1 ZINC000949971250 641878851 /nfs/dbraw/zinc/87/88/51/641878851.db2.gz MBXURYQYZLRDSG-UHFFFAOYSA-N 1 0 211.265 -0.808 20 30 BBEDRO C=CCN1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000949982917 634362112 /nfs/dbraw/zinc/36/21/12/634362112.db2.gz HWJNHNXZWONIEC-UHFFFAOYSA-N 1 0 237.303 -0.418 20 30 BBEDRO C#CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950513610 641926644 /nfs/dbraw/zinc/92/66/44/641926644.db2.gz IGXRXZZJRKOOOS-CHWSQXEVSA-N 1 0 249.358 -0.039 20 30 BBEDRO C#CCN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950513611 641927054 /nfs/dbraw/zinc/92/70/54/641927054.db2.gz IGXRXZZJRKOOOS-OLZOCXBDSA-N 1 0 249.358 -0.039 20 30 BBEDRO C#CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950513612 641926840 /nfs/dbraw/zinc/92/68/40/641926840.db2.gz IGXRXZZJRKOOOS-QWHCGFSZSA-N 1 0 249.358 -0.039 20 30 BBEDRO C#CCN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950513613 641926373 /nfs/dbraw/zinc/92/63/73/641926373.db2.gz IGXRXZZJRKOOOS-STQMWFEESA-N 1 0 249.358 -0.039 20 30 BBEDRO C#CCCN1CCN(C(=O)c2cnon2)CC1 ZINC000952334089 644374918 /nfs/dbraw/zinc/37/49/18/644374918.db2.gz AGTFYRKRAJCAEN-UHFFFAOYSA-N 1 0 234.259 -0.149 20 30 BBEDRO C=CCC[NH+]1CCN(C(=O)Cn2cncn2)CC1 ZINC000957575683 644741862 /nfs/dbraw/zinc/74/18/62/644741862.db2.gz NYOAGIYDPDJHIG-UHFFFAOYSA-N 1 0 249.318 -0.002 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1 ZINC000957783861 644751164 /nfs/dbraw/zinc/75/11/64/644751164.db2.gz NIRKTGYOFPRNHT-GHMZBOCLSA-N 1 0 222.288 -0.562 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1 ZINC000957783862 644750564 /nfs/dbraw/zinc/75/05/64/644750564.db2.gz NIRKTGYOFPRNHT-MNOVXSKESA-N 1 0 222.288 -0.562 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957783863 644752270 /nfs/dbraw/zinc/75/22/70/644752270.db2.gz NIRKTGYOFPRNHT-QWRGUYRKSA-N 1 0 222.288 -0.562 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957783864 644751578 /nfs/dbraw/zinc/75/15/78/644751578.db2.gz NIRKTGYOFPRNHT-WDEREUQCSA-N 1 0 222.288 -0.562 20 30 BBEDRO C=CC[N@@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1 ZINC000957784153 644751082 /nfs/dbraw/zinc/75/10/82/644751082.db2.gz OGZNTEWOHLLSLM-GHMZBOCLSA-N 1 0 224.304 -0.009 20 30 BBEDRO C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1 ZINC000957784154 644751483 /nfs/dbraw/zinc/75/14/83/644751483.db2.gz OGZNTEWOHLLSLM-MNOVXSKESA-N 1 0 224.304 -0.009 20 30 BBEDRO C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957784155 644752380 /nfs/dbraw/zinc/75/23/80/644752380.db2.gz OGZNTEWOHLLSLM-QWRGUYRKSA-N 1 0 224.304 -0.009 20 30 BBEDRO C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957784156 644751752 /nfs/dbraw/zinc/75/17/52/644751752.db2.gz OGZNTEWOHLLSLM-WDEREUQCSA-N 1 0 224.304 -0.009 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccco2)[C@H](O)C1 ZINC000957785479 644750862 /nfs/dbraw/zinc/75/08/62/644750862.db2.gz WWPJDENQLLABFS-GHMZBOCLSA-N 1 0 248.282 -0.065 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccco2)C1 ZINC000957785480 644751373 /nfs/dbraw/zinc/75/13/73/644751373.db2.gz WWPJDENQLLABFS-MNOVXSKESA-N 1 0 248.282 -0.065 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccco2)C1 ZINC000957785481 644752729 /nfs/dbraw/zinc/75/27/29/644752729.db2.gz WWPJDENQLLABFS-QWRGUYRKSA-N 1 0 248.282 -0.065 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccco2)C1 ZINC000957785482 644752027 /nfs/dbraw/zinc/75/20/27/644752027.db2.gz WWPJDENQLLABFS-WDEREUQCSA-N 1 0 248.282 -0.065 20 30 BBEDRO C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1 ZINC000957785867 644751702 /nfs/dbraw/zinc/75/17/02/644751702.db2.gz ZFOGVMLPSYBHSP-NEPJUHHUSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957785868 644751002 /nfs/dbraw/zinc/75/10/02/644751002.db2.gz ZFOGVMLPSYBHSP-NWDGAFQWSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957785869 644752789 /nfs/dbraw/zinc/75/27/89/644752789.db2.gz ZFOGVMLPSYBHSP-RYUDHWBXSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CCC[N@@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1 ZINC000957785870 644752687 /nfs/dbraw/zinc/75/26/87/644752687.db2.gz ZFOGVMLPSYBHSP-VXGBXAGGSA-N 1 0 236.315 -0.171 20 30 BBEDRO C=CCC[N@H+]1C[C@@H](CNC(C)=O)[C@H](O)C1 ZINC000957787917 644752164 /nfs/dbraw/zinc/75/21/64/644752164.db2.gz JDACLXVCSSAMAW-GHMZBOCLSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCC[N@@H+]1C[C@H](O)[C@H](CNC(C)=O)C1 ZINC000957787918 644751481 /nfs/dbraw/zinc/75/14/81/644751481.db2.gz JDACLXVCSSAMAW-MNOVXSKESA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(C)=O)C1 ZINC000957787919 644752432 /nfs/dbraw/zinc/75/24/32/644752432.db2.gz JDACLXVCSSAMAW-QWRGUYRKSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(C)=O)C1 ZINC000957787920 644751468 /nfs/dbraw/zinc/75/14/68/644751468.db2.gz JDACLXVCSSAMAW-WDEREUQCSA-N 1 0 212.293 -0.009 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](CNC(C)=O)[C@H](O)C1 ZINC000957788033 644751656 /nfs/dbraw/zinc/75/16/56/644751656.db2.gz JIAMWRNKKPWMQV-GHMZBOCLSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(C)=O)C1 ZINC000957788034 644752201 /nfs/dbraw/zinc/75/22/01/644752201.db2.gz JIAMWRNKKPWMQV-MNOVXSKESA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(C)=O)C1 ZINC000957788035 644750421 /nfs/dbraw/zinc/75/04/21/644750421.db2.gz JIAMWRNKKPWMQV-QWRGUYRKSA-N 1 0 210.277 -0.562 20 30 BBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(C)=O)C1 ZINC000957788036 644751024 /nfs/dbraw/zinc/75/10/24/644751024.db2.gz JIAMWRNKKPWMQV-WDEREUQCSA-N 1 0 210.277 -0.562 20 30 BBEDRO CC#CC[N@H+]1C[C@@H](CNC(C)=O)[C@H](O)C1 ZINC000957788057 644751804 /nfs/dbraw/zinc/75/18/04/644751804.db2.gz JOXBWBGLPZXXDN-GHMZBOCLSA-N 1 0 210.277 -0.562 20 30 BBEDRO CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(C)=O)C1 ZINC000957788058 644751287 /nfs/dbraw/zinc/75/12/87/644751287.db2.gz JOXBWBGLPZXXDN-MNOVXSKESA-N 1 0 210.277 -0.562 20 30 BBEDRO CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(C)=O)C1 ZINC000957788059 644752633 /nfs/dbraw/zinc/75/26/33/644752633.db2.gz JOXBWBGLPZXXDN-QWRGUYRKSA-N 1 0 210.277 -0.562 20 30 BBEDRO CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(C)=O)C1 ZINC000957788060 644751349 /nfs/dbraw/zinc/75/13/49/644751349.db2.gz JOXBWBGLPZXXDN-WDEREUQCSA-N 1 0 210.277 -0.562 20 30 BBEDRO C=C(C)C[N@H+]1C[C@@H](CNC(C)=O)[C@H](O)C1 ZINC000957789713 644754412 /nfs/dbraw/zinc/75/44/12/644754412.db2.gz XZAMUPLNKTZPQY-GHMZBOCLSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(C)=O)C1 ZINC000957789714 644754254 /nfs/dbraw/zinc/75/42/54/644754254.db2.gz XZAMUPLNKTZPQY-MNOVXSKESA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(C)=O)C1 ZINC000957789715 644755763 /nfs/dbraw/zinc/75/57/63/644755763.db2.gz XZAMUPLNKTZPQY-QWRGUYRKSA-N 1 0 212.293 -0.009 20 30 BBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(C)=O)C1 ZINC000957789716 644755102 /nfs/dbraw/zinc/75/51/02/644755102.db2.gz XZAMUPLNKTZPQY-WDEREUQCSA-N 1 0 212.293 -0.009 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CCC2)C1 ZINC000957796930 644754784 /nfs/dbraw/zinc/75/47/84/644754784.db2.gz AHMRYDSWLNVQMG-NEPJUHHUSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CCC2)C1 ZINC000957796931 644753824 /nfs/dbraw/zinc/75/38/24/644753824.db2.gz AHMRYDSWLNVQMG-NWDGAFQWSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CCC2)C1 ZINC000957796932 644754639 /nfs/dbraw/zinc/75/46/39/644754639.db2.gz AHMRYDSWLNVQMG-RYUDHWBXSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)C2CCC2)[C@H](O)C1 ZINC000957796933 644755251 /nfs/dbraw/zinc/75/52/51/644755251.db2.gz AHMRYDSWLNVQMG-VXGBXAGGSA-N 1 0 236.315 -0.171 20 30 BBEDRO CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1 ZINC000957799134 644753771 /nfs/dbraw/zinc/75/37/71/644753771.db2.gz VXKWYBJOXMLTFI-NEPJUHHUSA-N 1 0 236.315 -0.171 20 30 BBEDRO CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957799136 644755629 /nfs/dbraw/zinc/75/56/29/644755629.db2.gz VXKWYBJOXMLTFI-NWDGAFQWSA-N 1 0 236.315 -0.171 20 30 BBEDRO CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957799137 644754486 /nfs/dbraw/zinc/75/44/86/644754486.db2.gz VXKWYBJOXMLTFI-RYUDHWBXSA-N 1 0 236.315 -0.171 20 30 BBEDRO CC#CC[N@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1 ZINC000957799138 644755064 /nfs/dbraw/zinc/75/50/64/644755064.db2.gz VXKWYBJOXMLTFI-VXGBXAGGSA-N 1 0 236.315 -0.171 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863058 644757677 /nfs/dbraw/zinc/75/76/77/644757677.db2.gz GHBOVVKILKDIJR-CMPLNLGQSA-N 1 0 247.298 -0.330 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863059 644758442 /nfs/dbraw/zinc/75/84/42/644758442.db2.gz GHBOVVKILKDIJR-JQWIXIFHSA-N 1 0 247.298 -0.330 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863060 644757426 /nfs/dbraw/zinc/75/74/26/644757426.db2.gz GHBOVVKILKDIJR-PWSUYJOCSA-N 1 0 247.298 -0.330 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC000957863061 644758402 /nfs/dbraw/zinc/75/84/02/644758402.db2.gz GHBOVVKILKDIJR-ZYHUDNBSSA-N 1 0 247.298 -0.330 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccoc2)C1 ZINC000957873632 644758420 /nfs/dbraw/zinc/75/84/20/644758420.db2.gz JUJYOWODQLRODU-NEPJUHHUSA-N 1 0 248.282 -0.065 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccoc2)C1 ZINC000957873633 644757539 /nfs/dbraw/zinc/75/75/39/644757539.db2.gz JUJYOWODQLRODU-NWDGAFQWSA-N 1 0 248.282 -0.065 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccoc2)C1 ZINC000957873634 644757819 /nfs/dbraw/zinc/75/78/19/644757819.db2.gz JUJYOWODQLRODU-RYUDHWBXSA-N 1 0 248.282 -0.065 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccoc2)[C@H](O)C1 ZINC000957873635 644758345 /nfs/dbraw/zinc/75/83/45/644758345.db2.gz JUJYOWODQLRODU-VXGBXAGGSA-N 1 0 248.282 -0.065 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000957894295 644758280 /nfs/dbraw/zinc/75/82/80/644758280.db2.gz JZPAULYNCGITNZ-GXSJLCMTSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000957894300 644757918 /nfs/dbraw/zinc/75/79/18/644757918.db2.gz JZPAULYNCGITNZ-KOLCDFICSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC000957894301 644758296 /nfs/dbraw/zinc/75/82/96/644758296.db2.gz JZPAULYNCGITNZ-MWLCHTKSSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000957894303 644758194 /nfs/dbraw/zinc/75/81/94/644758194.db2.gz JZPAULYNCGITNZ-ONGXEEELSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC000957898372 644759770 /nfs/dbraw/zinc/75/97/70/644759770.db2.gz OPWMBYLQYLRCHR-GHMZBOCLSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000957898374 644760540 /nfs/dbraw/zinc/76/05/40/644760540.db2.gz OPWMBYLQYLRCHR-MNOVXSKESA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000957898375 644759452 /nfs/dbraw/zinc/75/94/52/644759452.db2.gz OPWMBYLQYLRCHR-QWRGUYRKSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000957898376 635474705 /nfs/dbraw/zinc/47/47/05/635474705.db2.gz OPWMBYLQYLRCHR-WDEREUQCSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1 ZINC000957899080 644760593 /nfs/dbraw/zinc/76/05/93/644760593.db2.gz WSQLKOZEPFSZLC-GXSJLCMTSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1 ZINC000957899081 644759520 /nfs/dbraw/zinc/75/95/20/644759520.db2.gz WSQLKOZEPFSZLC-KOLCDFICSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccon2)[C@H](O)C1 ZINC000957899082 644759248 /nfs/dbraw/zinc/75/92/48/644759248.db2.gz WSQLKOZEPFSZLC-MWLCHTKSSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccon2)C1 ZINC000957899083 644760216 /nfs/dbraw/zinc/76/02/16/644760216.db2.gz WSQLKOZEPFSZLC-ONGXEEELSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1 ZINC000957926897 644761180 /nfs/dbraw/zinc/76/11/80/644761180.db2.gz PCJOVUNRDVFGJU-GXSJLCMTSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1 ZINC000957926898 644762303 /nfs/dbraw/zinc/76/23/03/644762303.db2.gz PCJOVUNRDVFGJU-KOLCDFICSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2cocn2)[C@H](O)C1 ZINC000957926900 644761554 /nfs/dbraw/zinc/76/15/54/644761554.db2.gz PCJOVUNRDVFGJU-MWLCHTKSSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cocn2)C1 ZINC000957926902 644761964 /nfs/dbraw/zinc/76/19/64/644761964.db2.gz PCJOVUNRDVFGJU-ONGXEEELSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)C2CC=CC2)[C@H](O)C1 ZINC000957943782 644761693 /nfs/dbraw/zinc/76/16/93/644761693.db2.gz MSJNBPZIBHHPNL-CHWSQXEVSA-N 1 0 248.326 -0.005 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC=CC2)C1 ZINC000957943783 644762325 /nfs/dbraw/zinc/76/23/25/644762325.db2.gz MSJNBPZIBHHPNL-OLZOCXBDSA-N 1 0 248.326 -0.005 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC=CC2)C1 ZINC000957943784 644762331 /nfs/dbraw/zinc/76/23/31/644762331.db2.gz MSJNBPZIBHHPNL-QWHCGFSZSA-N 1 0 248.326 -0.005 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC=CC2)C1 ZINC000957943785 644761541 /nfs/dbraw/zinc/76/15/41/644761541.db2.gz MSJNBPZIBHHPNL-STQMWFEESA-N 1 0 248.326 -0.005 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F ZINC000958003533 644769810 /nfs/dbraw/zinc/76/98/10/644769810.db2.gz WXBVTMYSYGAUCU-JIGDXULJSA-N 1 0 214.215 -0.069 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC000958056616 644773359 /nfs/dbraw/zinc/77/33/59/644773359.db2.gz PJWAWJFGAPQMRK-NXEZZACHSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000958056617 644773970 /nfs/dbraw/zinc/77/39/70/644773970.db2.gz PJWAWJFGAPQMRK-UWVGGRQHSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000958056619 644773616 /nfs/dbraw/zinc/77/36/16/644773616.db2.gz PJWAWJFGAPQMRK-VHSXEESVSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000958056620 644773262 /nfs/dbraw/zinc/77/32/62/644773262.db2.gz PJWAWJFGAPQMRK-ZJUUUORDSA-N 1 0 248.286 -0.935 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC000958085595 644776158 /nfs/dbraw/zinc/77/61/58/644776158.db2.gz HOTJQMYKGWNLNQ-NEPJUHHUSA-N 1 0 247.298 -0.330 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC000958085596 644775859 /nfs/dbraw/zinc/77/58/59/644775859.db2.gz HOTJQMYKGWNLNQ-NWDGAFQWSA-N 1 0 247.298 -0.330 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC000958085597 644776502 /nfs/dbraw/zinc/77/65/02/644776502.db2.gz HOTJQMYKGWNLNQ-RYUDHWBXSA-N 1 0 247.298 -0.330 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC000958085598 644776291 /nfs/dbraw/zinc/77/62/91/644776291.db2.gz HOTJQMYKGWNLNQ-VXGBXAGGSA-N 1 0 247.298 -0.330 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccn1 ZINC000958120759 644777848 /nfs/dbraw/zinc/77/78/48/644777848.db2.gz XUCBVBSSFSOQQA-IAZYJMLFSA-N 1 0 242.282 -0.230 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCO1 ZINC000958134553 644778569 /nfs/dbraw/zinc/77/85/69/644778569.db2.gz RAAHUJKVQNRURN-IAZYJMLFSA-N 1 0 248.282 -0.446 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC000958169994 644780597 /nfs/dbraw/zinc/78/05/97/644780597.db2.gz UZHINPCXADNOAR-KXNHARMFSA-N 1 0 234.299 -0.155 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC000958169996 644779518 /nfs/dbraw/zinc/77/95/18/644779518.db2.gz UZHINPCXADNOAR-WHOHXGKFSA-N 1 0 234.299 -0.155 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 ZINC000958185765 644780295 /nfs/dbraw/zinc/78/02/95/644780295.db2.gz UZQROELADIUGEA-GDNZZTSVSA-N 1 0 244.298 -0.287 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC000958234233 644783240 /nfs/dbraw/zinc/78/32/40/644783240.db2.gz PRIORUQQXXYZGX-PJXYFTJBSA-N 1 0 244.298 -0.437 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC000958285278 644784908 /nfs/dbraw/zinc/78/49/08/644784908.db2.gz MIRVOYNVDSRPLV-JZYVYDRUSA-N 1 0 231.255 -0.032 20 30 BBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2cnco2)[C@H](O)C1 ZINC000958289625 644785959 /nfs/dbraw/zinc/78/59/59/644785959.db2.gz XRTBCRMFIYJRPO-NXEZZACHSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958289626 644785682 /nfs/dbraw/zinc/78/56/82/644785682.db2.gz XRTBCRMFIYJRPO-UWVGGRQHSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958289627 644784853 /nfs/dbraw/zinc/78/48/53/644784853.db2.gz XRTBCRMFIYJRPO-VHSXEESVSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 ZINC000958289628 644785930 /nfs/dbraw/zinc/78/59/30/644785930.db2.gz XRTBCRMFIYJRPO-ZJUUUORDSA-N 1 0 249.270 -0.670 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC000958289944 644786010 /nfs/dbraw/zinc/78/60/10/644786010.db2.gz UPXPCAMHEOXFEZ-MBTKJCJQSA-N 1 0 248.311 -0.169 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC000958291877 644785916 /nfs/dbraw/zinc/78/59/16/644785916.db2.gz DDLPHTUCNTTYKX-JZYVYDRUSA-N 1 0 230.271 -0.297 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC000958306783 644787758 /nfs/dbraw/zinc/78/77/58/644787758.db2.gz JSFNPFFLOPREHO-URLYPYJESA-N 1 0 230.271 -0.297 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC000958314184 644786904 /nfs/dbraw/zinc/78/69/04/644786904.db2.gz BKZROIPWDAWVKC-MBTKJCJQSA-N 1 0 248.311 -0.169 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC000958336491 644789291 /nfs/dbraw/zinc/78/92/91/644789291.db2.gz PNPVLKQEEXKPSF-NNYUYHANSA-N 1 0 234.299 -0.298 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC000958336492 644789580 /nfs/dbraw/zinc/78/95/80/644789580.db2.gz PNPVLKQEEXKPSF-WYUUTHIRSA-N 1 0 234.299 -0.298 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnn1C ZINC000958366674 644790700 /nfs/dbraw/zinc/79/07/00/644790700.db2.gz YHCMHHMEIRKAAN-IAZYJMLFSA-N 1 0 244.298 -0.287 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC000958379803 644792459 /nfs/dbraw/zinc/79/24/59/644792459.db2.gz YCWGSMLJSHNDOH-KXNHARMFSA-N 1 0 248.330 -0.349 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC000958379804 644792343 /nfs/dbraw/zinc/79/23/43/644792343.db2.gz YCWGSMLJSHNDOH-WHOHXGKFSA-N 1 0 248.330 -0.349 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC000958394386 644793394 /nfs/dbraw/zinc/79/33/94/644793394.db2.gz ZXTMGDVTKPDZQO-JZYVYDRUSA-N 1 0 231.255 -0.032 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC000958401084 644793939 /nfs/dbraw/zinc/79/39/39/644793939.db2.gz GEYGTJJSQFUVGG-KLBPJQLPSA-N 1 0 249.314 -0.503 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC000958401806 644794812 /nfs/dbraw/zinc/79/48/12/644794812.db2.gz QWYOMDMIPHKHHJ-PJXYFTJBSA-N 1 0 245.282 -0.103 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC000958454114 644797349 /nfs/dbraw/zinc/79/73/49/644797349.db2.gz NCQBICWFSKRECC-PJXYFTJBSA-N 1 0 244.298 -0.368 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 ZINC000958565106 644810707 /nfs/dbraw/zinc/81/07/07/644810707.db2.gz FMEVXBPNCDJKPU-IAZYJMLFSA-N 1 0 244.298 -0.287 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncnc1 ZINC000958638930 644817310 /nfs/dbraw/zinc/81/73/10/644817310.db2.gz UVPLDZKUVHXSET-GDNZZTSVSA-N 1 0 242.282 -0.230 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC000958746742 644822058 /nfs/dbraw/zinc/82/20/58/644822058.db2.gz JTIWDQFJCKXNRO-JZYVYDRUSA-N 1 0 245.286 -0.892 20 30 BBEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC000958747622 644821583 /nfs/dbraw/zinc/82/15/83/644821583.db2.gz ZTRFKWWZUWHSKV-JZYVYDRUSA-N 1 0 247.302 -0.339 20 30 BBEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC000958756046 644823374 /nfs/dbraw/zinc/82/33/74/644823374.db2.gz INTDEFNBRHWOQN-JZYVYDRUSA-N 1 0 247.302 -0.339 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC000958757009 644823325 /nfs/dbraw/zinc/82/33/25/644823325.db2.gz RDENFWJYXQNGSS-JZYVYDRUSA-N 1 0 245.286 -0.892 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC000958786659 644827107 /nfs/dbraw/zinc/82/71/07/644827107.db2.gz IFFULJDZSMICFS-MYJAWHEDSA-N 1 0 245.286 -0.892 20 30 BBEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC000958787001 644826645 /nfs/dbraw/zinc/82/66/45/644826645.db2.gz LGYXUEIIFNYULK-MYJAWHEDSA-N 1 0 247.302 -0.339 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC000958808539 644829051 /nfs/dbraw/zinc/82/90/51/644829051.db2.gz JTQQMGRIFUPIPN-MYJAWHEDSA-N 1 0 230.271 -0.297 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1COC2 ZINC000959997673 642656262 /nfs/dbraw/zinc/65/62/62/642656262.db2.gz UDTNEXRPJNFATG-ROEYZRMQSA-N 1 0 246.310 -0.298 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC000960106505 642658543 /nfs/dbraw/zinc/65/85/43/642658543.db2.gz ROSSDTYORMJYTF-IAZYJMLFSA-N 1 0 247.302 -0.490 20 30 BBEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960724034 642671277 /nfs/dbraw/zinc/67/12/77/642671277.db2.gz SGULENQREOORCI-JZYVYDRUSA-N 1 0 245.286 -0.512 20 30 BBEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960736503 642671636 /nfs/dbraw/zinc/67/16/36/642671636.db2.gz BTJBELJHDPIZEW-JZYVYDRUSA-N 1 0 245.286 -0.512 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960738339 642671975 /nfs/dbraw/zinc/67/19/75/642671975.db2.gz FSXNWEMLGNGAHZ-MBTKJCJQSA-N 1 0 231.259 -0.902 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960740723 642672516 /nfs/dbraw/zinc/67/25/16/642672516.db2.gz JOGQVRRHWKVGOQ-MBTKJCJQSA-N 1 0 233.275 -0.349 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncn1C ZINC000960833244 642675049 /nfs/dbraw/zinc/67/50/49/642675049.db2.gz YWRPILQLXUZXCS-IAZYJMLFSA-N 1 0 244.298 -0.287 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csnn1 ZINC000961359549 642687025 /nfs/dbraw/zinc/68/70/25/642687025.db2.gz CCZOKKCFCOWODO-MBTKJCJQSA-N 1 0 248.311 -0.169 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC000961397835 642687114 /nfs/dbraw/zinc/68/71/14/642687114.db2.gz SMALMIVZLZYMOS-JZYVYDRUSA-N 1 0 231.255 -0.032 20 30 BBEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C ZINC000961436616 642688716 /nfs/dbraw/zinc/68/87/16/642688716.db2.gz BILMFBZRKWUNKA-JZYVYDRUSA-N 1 0 247.302 -0.041 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C ZINC000961443924 642689623 /nfs/dbraw/zinc/68/96/23/642689623.db2.gz OTVONHRKWSWVCT-JZYVYDRUSA-N 1 0 245.286 -0.594 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC000961452995 642689682 /nfs/dbraw/zinc/68/96/82/642689682.db2.gz LSTYKNNLPUNEMG-UKKRHICBSA-N 1 0 249.314 -0.645 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC000961452996 642689201 /nfs/dbraw/zinc/68/92/01/642689201.db2.gz LSTYKNNLPUNEMG-ZNSHCXBVSA-N 1 0 249.314 -0.645 20 30 BBEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961501507 642693978 /nfs/dbraw/zinc/69/39/78/642693978.db2.gz XMLRUVXXYGRAQI-BRPSZJMVSA-N 1 0 248.290 -0.944 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000961557438 642695508 /nfs/dbraw/zinc/69/55/08/642695508.db2.gz ZGMLMFMBWSBECV-LDTYRUFESA-N 1 0 246.310 -0.442 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnoc1 ZINC000961562560 642697000 /nfs/dbraw/zinc/69/70/00/642697000.db2.gz BWLTVCOPGAZZFG-PJXYFTJBSA-N 1 0 245.282 -0.103 20 30 BBEDRO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961637487 642697114 /nfs/dbraw/zinc/69/71/14/642697114.db2.gz KTHAUIIMEWPHAP-BRPSZJMVSA-N 1 0 223.276 -0.906 20 30 BBEDRO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961645253 642700268 /nfs/dbraw/zinc/70/02/68/642700268.db2.gz FDUMHGJIUDJIGT-MYJAWHEDSA-N 1 0 237.303 -0.516 20 30 BBEDRO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961660519 642699253 /nfs/dbraw/zinc/69/92/53/642699253.db2.gz RVZMQKSUQQWKQT-BRPSZJMVSA-N 1 0 223.276 -0.906 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1F ZINC000961714616 642701654 /nfs/dbraw/zinc/70/16/54/642701654.db2.gz VEZLZZKIEBYWBA-MBTKJCJQSA-N 1 0 248.261 -0.158 20 30 BBEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000961798912 642706784 /nfs/dbraw/zinc/70/67/84/642706784.db2.gz YRQJXOFKKIBKPU-XXFSISAASA-N 1 0 249.314 -0.660 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC000961858241 642707006 /nfs/dbraw/zinc/70/70/06/642707006.db2.gz PHOABVMEOWZKFP-GDNZZTSVSA-N 1 0 242.282 -0.230 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC000961894253 642709359 /nfs/dbraw/zinc/70/93/59/642709359.db2.gz FKUBLGUZAYKZOP-PJXYFTJBSA-N 1 0 244.298 -0.368 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC000962044030 642713362 /nfs/dbraw/zinc/71/33/62/642713362.db2.gz MTMDCTMMTHOALV-JZYVYDRUSA-N 1 0 245.286 -0.892 20 30 BBEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC000962046507 642712803 /nfs/dbraw/zinc/71/28/03/642712803.db2.gz UGOPHYNHKCNYKO-JZYVYDRUSA-N 1 0 247.302 -0.339 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962071735 642713416 /nfs/dbraw/zinc/71/34/16/642713416.db2.gz DLCYMANKVPRDFX-BRPSZJMVSA-N 1 0 233.275 -0.349 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962074981 642713541 /nfs/dbraw/zinc/71/35/41/642713541.db2.gz ODMMXOSECHAAPW-BRPSZJMVSA-N 1 0 231.259 -0.902 20 30 BBEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962079415 642715428 /nfs/dbraw/zinc/71/54/28/642715428.db2.gz BSXDYQLGJUBMGT-MYJAWHEDSA-N 1 0 245.286 -0.512 20 30 BBEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962079664 642715027 /nfs/dbraw/zinc/71/50/27/642715027.db2.gz CURGSDYZGPSBDL-MYJAWHEDSA-N 1 0 245.286 -0.512 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC000962083034 642715837 /nfs/dbraw/zinc/71/58/37/642715837.db2.gz MLKBMNOVYINMTP-IAZYJMLFSA-N 1 0 242.282 -0.230 20 30 BBEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC000962101783 642715471 /nfs/dbraw/zinc/71/54/71/642715471.db2.gz QNFFCEACTVSKRK-JZYVYDRUSA-N 1 0 246.270 -0.247 20 30 BBEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC000962104603 642715987 /nfs/dbraw/zinc/71/59/87/642715987.db2.gz YAEVBUPLNITGMM-JZYVYDRUSA-N 1 0 246.270 -0.247 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC000962106948 642715138 /nfs/dbraw/zinc/71/51/38/642715138.db2.gz FVHGGPONSBLVIV-MBTKJCJQSA-N 1 0 234.259 -0.084 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC000962107741 642715670 /nfs/dbraw/zinc/71/56/70/642715670.db2.gz IIMXIKUKQKJDCJ-MBTKJCJQSA-N 1 0 232.243 -0.637 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC000962124852 642717321 /nfs/dbraw/zinc/71/73/21/642717321.db2.gz YBABCENKZLADRC-URLYPYJESA-N 1 0 242.282 -0.230 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC000962128170 642716375 /nfs/dbraw/zinc/71/63/75/642716375.db2.gz GLVFDSAHVWAJGE-IAZYJMLFSA-N 1 0 242.282 -0.230 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC000962131892 642717049 /nfs/dbraw/zinc/71/70/49/642717049.db2.gz ALJVXMDMZHSNDM-IWIIMEHWSA-N 1 0 244.298 -0.368 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC000962226845 642724677 /nfs/dbraw/zinc/72/46/77/642724677.db2.gz GBWDIQDGIULTNV-GDGBQDQQSA-N 1 0 245.286 -0.973 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC000962233561 642724203 /nfs/dbraw/zinc/72/42/03/642724203.db2.gz UHPWPDUEWQHRKK-GDGBQDQQSA-N 1 0 247.302 -0.420 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC000962324869 642726254 /nfs/dbraw/zinc/72/62/54/642726254.db2.gz GEYGTJJSQFUVGG-MIZYBKAJSA-N 1 0 249.314 -0.503 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000962490540 642728068 /nfs/dbraw/zinc/72/80/68/642728068.db2.gz XVPCWOCAKWFQEG-IAZYJMLFSA-N 1 0 247.302 -0.490 20 30 BBEDRO N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962553940 642731624 /nfs/dbraw/zinc/73/16/24/642731624.db2.gz IRGRZEJKXMPRAQ-PJXYFTJBSA-N 1 0 248.330 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CC#N)C[C@H]32)C1 ZINC000962562484 642730155 /nfs/dbraw/zinc/73/01/55/642730155.db2.gz ZPTZTJGILVDTOH-NNYUYHANSA-N 1 0 248.330 -0.492 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC#N)C[C@H]32)C1 ZINC000962562487 642730904 /nfs/dbraw/zinc/73/09/04/642730904.db2.gz ZPTZTJGILVDTOH-WYUUTHIRSA-N 1 0 248.330 -0.492 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)n1 ZINC000962573967 642731915 /nfs/dbraw/zinc/73/19/15/642731915.db2.gz YDXFYPKEGOWHGA-IAZYJMLFSA-N 1 0 244.298 -0.287 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nonc1C ZINC000963042974 642737895 /nfs/dbraw/zinc/73/78/95/642737895.db2.gz FXUGCHTXCXGGQL-JZYVYDRUSA-N 1 0 246.270 -0.329 20 30 BBEDRO C#CC[NH2+]C1CCC(N(C)C(=O)C(N)=O)CC1 ZINC000963849435 642748011 /nfs/dbraw/zinc/74/80/11/642748011.db2.gz KAMDYSLKVIJPOI-UHFFFAOYSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC000964750634 642763438 /nfs/dbraw/zinc/76/34/38/642763438.db2.gz AEMOCSZIXRKBAB-UHFFFAOYSA-N 1 0 235.287 -0.878 20 30 BBEDRO C=CC[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC000964753611 642764251 /nfs/dbraw/zinc/76/42/51/642764251.db2.gz LSNZEDCGQZHMEM-UHFFFAOYSA-N 1 0 237.303 -0.325 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000966495786 642789575 /nfs/dbraw/zinc/78/95/75/642789575.db2.gz SVDZYFYTFILWEV-SNVBAGLBSA-N 1 0 230.271 -0.086 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC000966687066 642791612 /nfs/dbraw/zinc/79/16/12/642791612.db2.gz IFXDCIGNPUBCAH-SNVBAGLBSA-N 1 0 236.271 -0.302 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC000966708893 642791504 /nfs/dbraw/zinc/79/15/04/642791504.db2.gz IUIFKNXNIOBHPO-GFCCVEGCSA-N 1 0 245.282 -0.243 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000966727262 642793049 /nfs/dbraw/zinc/79/30/49/642793049.db2.gz PAZSHCJFNPHQCM-SECBINFHSA-N 1 0 246.270 -0.381 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000966873409 642792907 /nfs/dbraw/zinc/79/29/07/642792907.db2.gz YNFKCVRTBGTZSU-GHMZBOCLSA-N 1 0 222.288 -0.011 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000966873410 642792768 /nfs/dbraw/zinc/79/27/68/642792768.db2.gz YNFKCVRTBGTZSU-MNOVXSKESA-N 1 0 222.288 -0.011 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC000966886344 642791905 /nfs/dbraw/zinc/79/19/05/642791905.db2.gz WMBZAUGGNKVUST-LLVKDONJSA-N 1 0 249.314 -0.568 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000966889634 642793758 /nfs/dbraw/zinc/79/37/58/642793758.db2.gz PKOFHOPXTNYFNU-SECBINFHSA-N 1 0 236.279 -0.950 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000966892405 642795662 /nfs/dbraw/zinc/79/56/62/642795662.db2.gz LMUKFULALYSQJF-LLVKDONJSA-N 1 0 232.287 -0.143 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000967033718 642794797 /nfs/dbraw/zinc/79/47/97/642794797.db2.gz ZHVLJKBSCSXSJX-LLVKDONJSA-N 1 0 232.287 -0.293 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC000967154849 642796589 /nfs/dbraw/zinc/79/65/89/642796589.db2.gz FVRLASPUGGHKPH-LLVKDONJSA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000967277385 642798612 /nfs/dbraw/zinc/79/86/12/642798612.db2.gz YLCHFPHKPPBTMY-SECBINFHSA-N 1 0 218.260 -0.153 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC000967283294 642798407 /nfs/dbraw/zinc/79/84/07/642798407.db2.gz BGNPUDCHQYDZCJ-GHMZBOCLSA-N 1 0 238.287 -0.775 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC000967283295 642799409 /nfs/dbraw/zinc/79/94/09/642799409.db2.gz BGNPUDCHQYDZCJ-MNOVXSKESA-N 1 0 238.287 -0.775 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC000967283618 642797103 /nfs/dbraw/zinc/79/71/03/642797103.db2.gz GHMGDGJTNPMFIX-GHMZBOCLSA-N 1 0 240.303 -0.222 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC000967283619 642799179 /nfs/dbraw/zinc/79/91/79/642799179.db2.gz GHMGDGJTNPMFIX-MNOVXSKESA-N 1 0 240.303 -0.222 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC000967309070 642799668 /nfs/dbraw/zinc/79/96/68/642799668.db2.gz FUBWFDCXLAFIKW-MRVPVSSYSA-N 1 0 236.300 -0.025 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000967325469 642797685 /nfs/dbraw/zinc/79/76/85/642797685.db2.gz CJQVQWQHQWTGRB-SNVBAGLBSA-N 1 0 218.260 -0.153 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnns2)C1 ZINC000967400146 642801405 /nfs/dbraw/zinc/80/14/05/642801405.db2.gz NUDSZGZVQUCPRT-MRVPVSSYSA-N 1 0 236.300 -0.025 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC000967417479 642800413 /nfs/dbraw/zinc/80/04/13/642800413.db2.gz FMNIEAOUDAVCKT-NXEZZACHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC000967417480 642800675 /nfs/dbraw/zinc/80/06/75/642800675.db2.gz FMNIEAOUDAVCKT-VHSXEESVSA-N 1 0 210.277 -0.155 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC000967424395 642801133 /nfs/dbraw/zinc/80/11/33/642801133.db2.gz HISJMYJSGIEHBK-SECBINFHSA-N 1 0 246.332 -0.593 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000967479836 642800620 /nfs/dbraw/zinc/80/06/20/642800620.db2.gz ZPMQBIIEURNPQH-GHMZBOCLSA-N 1 0 222.288 -0.153 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000967479837 642801578 /nfs/dbraw/zinc/80/15/78/642801578.db2.gz ZPMQBIIEURNPQH-WDEREUQCSA-N 1 0 222.288 -0.153 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000967626904 642802618 /nfs/dbraw/zinc/80/26/18/642802618.db2.gz XECRTZZRZOBUMP-SNVBAGLBSA-N 1 0 232.287 -0.143 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC000967643795 642802975 /nfs/dbraw/zinc/80/29/75/642802975.db2.gz AQHHYLBKSMNWSJ-GFCCVEGCSA-N 1 0 246.314 -0.214 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967729624 642802221 /nfs/dbraw/zinc/80/22/21/642802221.db2.gz STLQWUUSBHMDIV-DTWKUNHWSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967729628 642802957 /nfs/dbraw/zinc/80/29/57/642802957.db2.gz STLQWUUSBHMDIV-RKDXNWHRSA-N 1 0 211.265 -0.671 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000967766905 642803555 /nfs/dbraw/zinc/80/35/55/642803555.db2.gz GQENKQROWSIBEH-NXEZZACHSA-N 1 0 235.287 -0.911 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000967768214 642804123 /nfs/dbraw/zinc/80/41/23/642804123.db2.gz PUGRUVFBXMSOLX-NXEZZACHSA-N 1 0 237.303 -0.359 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC#N)C1 ZINC000967896465 642803672 /nfs/dbraw/zinc/80/36/72/642803672.db2.gz RCJQFMWKCBXKRJ-GHMZBOCLSA-N 1 0 236.319 -0.205 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC#N)C1 ZINC000967896469 642804249 /nfs/dbraw/zinc/80/42/49/642804249.db2.gz RCJQFMWKCBXKRJ-MNOVXSKESA-N 1 0 236.319 -0.205 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC000968029263 712897858 /nfs/dbraw/zinc/89/78/58/712897858.db2.gz ZUJDSTKADHTLHZ-SECBINFHSA-N 1 0 245.286 -0.504 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000968124576 712898197 /nfs/dbraw/zinc/89/81/97/712898197.db2.gz RRXAFDGYQUUGAV-SECBINFHSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968130831 642805909 /nfs/dbraw/zinc/80/59/09/642805909.db2.gz LQVVSLZWTYREDE-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968130833 712898210 /nfs/dbraw/zinc/89/82/10/712898210.db2.gz LQVVSLZWTYREDE-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968133297 642805962 /nfs/dbraw/zinc/80/59/62/642805962.db2.gz SWMNJKRJRJONSN-NXEZZACHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968133299 642806416 /nfs/dbraw/zinc/80/64/16/642806416.db2.gz SWMNJKRJRJONSN-UWVGGRQHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968133300 642806360 /nfs/dbraw/zinc/80/63/60/642806360.db2.gz SWMNJKRJRJONSN-VHSXEESVSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968133301 642807046 /nfs/dbraw/zinc/80/70/46/642807046.db2.gz SWMNJKRJRJONSN-ZJUUUORDSA-N 1 0 237.303 -0.678 20 30 BBEDRO C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968156768 642805769 /nfs/dbraw/zinc/80/57/69/642805769.db2.gz VUWINNFSFSSQHA-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968156769 642806861 /nfs/dbraw/zinc/80/68/61/642806861.db2.gz VUWINNFSFSSQHA-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC000968156771 642805873 /nfs/dbraw/zinc/80/58/73/642805873.db2.gz VUWINNFSFSSQHA-VHSXEESVSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC000968156773 642807070 /nfs/dbraw/zinc/80/70/70/642807070.db2.gz VUWINNFSFSSQHA-ZJUUUORDSA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000968222632 642806542 /nfs/dbraw/zinc/80/65/42/642806542.db2.gz GBHXGUIGPIVXNZ-LLVKDONJSA-N 1 0 232.287 -0.224 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC000968238315 642806767 /nfs/dbraw/zinc/80/67/67/642806767.db2.gz MCAXULAURJDJJF-SNVBAGLBSA-N 1 0 247.302 -0.439 20 30 BBEDRO N#Cc1c[nH]c(C(=O)N2CC[C@@H]([NH2+]CCO)C2)c1 ZINC000968347167 642808318 /nfs/dbraw/zinc/80/83/18/642808318.db2.gz ZTDSKSSTANCMDW-SNVBAGLBSA-N 1 0 248.286 -0.317 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000968352013 642808013 /nfs/dbraw/zinc/80/80/13/642808013.db2.gz RYKUSYLZUBQIGK-SNVBAGLBSA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000968391950 642809918 /nfs/dbraw/zinc/80/99/18/642809918.db2.gz QYRHWPLPWDDONL-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000968391952 642809235 /nfs/dbraw/zinc/80/92/35/642809235.db2.gz QYRHWPLPWDDONL-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000968410853 642811399 /nfs/dbraw/zinc/81/13/99/642811399.db2.gz RAZCWPZXYBZGLN-SNVBAGLBSA-N 1 0 232.287 -0.143 20 30 BBEDRO N#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CCO)C2)[nH]1 ZINC000968411167 642811022 /nfs/dbraw/zinc/81/10/22/642811022.db2.gz ZTIQOUHEJINVFZ-SNVBAGLBSA-N 1 0 248.286 -0.317 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)n2cncn2)C1 ZINC000968451607 642810691 /nfs/dbraw/zinc/81/06/91/642810691.db2.gz VNBFZXLCJCXJCS-GHMZBOCLSA-N 1 0 247.302 -0.337 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 ZINC000968451608 642811113 /nfs/dbraw/zinc/81/11/13/642811113.db2.gz VNBFZXLCJCXJCS-WDEREUQCSA-N 1 0 247.302 -0.337 20 30 BBEDRO N#Cc1cc(C(=O)N2CC[C@@H]([NH2+]CCO)C2)c[nH]1 ZINC000968467114 642813173 /nfs/dbraw/zinc/81/31/73/642813173.db2.gz RKEYWTBFGGDLSR-SNVBAGLBSA-N 1 0 248.286 -0.317 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC000968472421 642812816 /nfs/dbraw/zinc/81/28/16/642812816.db2.gz CYOCBDNEAFGVOL-SECBINFHSA-N 1 0 249.318 -0.008 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC000968472819 642813413 /nfs/dbraw/zinc/81/34/13/642813413.db2.gz LOSRVALNHFTOMQ-SECBINFHSA-N 1 0 247.302 -0.560 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC000968475883 642813348 /nfs/dbraw/zinc/81/33/48/642813348.db2.gz VAVGWMJHHITHHM-LLVKDONJSA-N 1 0 230.271 -0.086 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC000968507924 642812187 /nfs/dbraw/zinc/81/21/87/642812187.db2.gz GVHDSHGSZLTKBU-GFCCVEGCSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC000968511135 642813109 /nfs/dbraw/zinc/81/31/09/642813109.db2.gz KUBFYCYNUNNANA-LLVKDONJSA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC000968515654 642812987 /nfs/dbraw/zinc/81/29/87/642812987.db2.gz CRFYVLVZSKHRJZ-SECBINFHSA-N 1 0 249.270 -0.584 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC000968522293 642812419 /nfs/dbraw/zinc/81/24/19/642812419.db2.gz CWEVWNUOZPRCEY-GFCCVEGCSA-N 1 0 244.298 -0.157 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ccnn2C)C1 ZINC000968522552 642813430 /nfs/dbraw/zinc/81/34/30/642813430.db2.gz HBZNUBBNTLKCRE-LLVKDONJSA-N 1 0 246.314 -0.214 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000968534170 642812609 /nfs/dbraw/zinc/81/26/09/642812609.db2.gz DETNDQOGQLYXGO-SNVBAGLBSA-N 1 0 224.304 -0.029 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000968548077 642815219 /nfs/dbraw/zinc/81/52/19/642815219.db2.gz JYZRMYOQPCBIQX-SECBINFHSA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000968548896 642814366 /nfs/dbraw/zinc/81/43/66/642814366.db2.gz YJKZGEGXQGWIKB-SECBINFHSA-N 1 0 233.275 -0.748 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000968556038 642813860 /nfs/dbraw/zinc/81/38/60/642813860.db2.gz LBHSFBHEQOVIBL-BDAKNGLRSA-N 1 0 239.275 -0.529 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000968556039 642814981 /nfs/dbraw/zinc/81/49/81/642814981.db2.gz LBHSFBHEQOVIBL-RKDXNWHRSA-N 1 0 239.275 -0.529 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000968567833 642814096 /nfs/dbraw/zinc/81/40/96/642814096.db2.gz QUPPETBVHTWBNB-GHMZBOCLSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)o2)C1 ZINC000968572100 642815339 /nfs/dbraw/zinc/81/53/39/642815339.db2.gz LAVPQFORISKNCG-SNVBAGLBSA-N 1 0 248.286 -0.256 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC000968572309 642815057 /nfs/dbraw/zinc/81/50/57/642815057.db2.gz OJUGRQIWPGXODS-SECBINFHSA-N 1 0 233.275 -0.748 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC000968572784 642813998 /nfs/dbraw/zinc/81/39/98/642813998.db2.gz WPHXTZLGVMBZCH-SECBINFHSA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC000968580926 642815141 /nfs/dbraw/zinc/81/51/41/642815141.db2.gz GKGNVLVVCLYIIX-SECBINFHSA-N 1 0 233.275 -0.748 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC000968580933 642814235 /nfs/dbraw/zinc/81/42/35/642814235.db2.gz GNKMSBUQDAZXME-SECBINFHSA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 ZINC000968583447 642814681 /nfs/dbraw/zinc/81/46/81/642814681.db2.gz KMJPYDJVLRTMPH-SNVBAGLBSA-N 1 0 247.302 -0.265 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnnn2CC)C1 ZINC000968586765 642815318 /nfs/dbraw/zinc/81/53/18/642815318.db2.gz WBPINQLJJPSHHM-SNVBAGLBSA-N 1 0 247.302 -0.265 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000968611689 642816166 /nfs/dbraw/zinc/81/61/66/642816166.db2.gz ZCDUQISYZNZIJZ-SECBINFHSA-N 1 0 218.260 -0.153 20 30 BBEDRO O=C(C#CC1CC1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968617500 642815842 /nfs/dbraw/zinc/81/58/42/642815842.db2.gz ARDXZBFZVUYHGW-LLVKDONJSA-N 1 0 222.288 -0.417 20 30 BBEDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1)C(N)=O ZINC000968618080 642816005 /nfs/dbraw/zinc/81/60/05/642816005.db2.gz SHJHTMQRNAGGIT-GXSJLCMTSA-N 1 0 249.314 -0.536 20 30 BBEDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1)C(N)=O ZINC000968618081 642816646 /nfs/dbraw/zinc/81/66/46/642816646.db2.gz SHJHTMQRNAGGIT-MWLCHTKSSA-N 1 0 249.314 -0.536 20 30 BBEDRO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000968626791 642816049 /nfs/dbraw/zinc/81/60/49/642816049.db2.gz CERYYTOCANMPLH-CMPLNLGQSA-N 1 0 236.315 -0.029 20 30 BBEDRO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000968626792 642815747 /nfs/dbraw/zinc/81/57/47/642815747.db2.gz CERYYTOCANMPLH-ZYHUDNBSSA-N 1 0 236.315 -0.029 20 30 BBEDRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000968627152 642816063 /nfs/dbraw/zinc/81/60/63/642816063.db2.gz PRQHDAUQXILBSS-SNVBAGLBSA-N 1 0 235.287 -0.924 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC000968629882 642815856 /nfs/dbraw/zinc/81/58/56/642815856.db2.gz NYHTWECJGGFNIA-SNVBAGLBSA-N 1 0 247.302 -0.521 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000968672207 642817637 /nfs/dbraw/zinc/81/76/37/642817637.db2.gz AXSUUOILTXOZOW-SECBINFHSA-N 1 0 236.279 -0.950 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000968748814 642819422 /nfs/dbraw/zinc/81/94/22/642819422.db2.gz MMMILWZPQOWHTQ-LOWVWBTDSA-N 1 0 234.299 -0.153 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000968805005 642819500 /nfs/dbraw/zinc/81/95/00/642819500.db2.gz FUFSNPJSQJDSIJ-SNVBAGLBSA-N 1 0 235.291 -0.345 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000968805169 642818954 /nfs/dbraw/zinc/81/89/54/642818954.db2.gz JJLSWFWJSOJMAC-SNVBAGLBSA-N 1 0 233.275 -0.898 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000968845710 642820148 /nfs/dbraw/zinc/82/01/48/642820148.db2.gz SLEAPWPJJHHCDE-GHMZBOCLSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000968845711 642820024 /nfs/dbraw/zinc/82/00/24/642820024.db2.gz SLEAPWPJJHHCDE-WDEREUQCSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000968898312 642821186 /nfs/dbraw/zinc/82/11/86/642821186.db2.gz SLYYTVPMCVNPOE-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000968898319 642821945 /nfs/dbraw/zinc/82/19/45/642821945.db2.gz SLYYTVPMCVNPOE-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000968986925 642820652 /nfs/dbraw/zinc/82/06/52/642820652.db2.gz USIICSMPOHITTO-SECBINFHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000968987057 642821599 /nfs/dbraw/zinc/82/15/99/642821599.db2.gz VTMPCLXFVDPXPQ-SECBINFHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000968988834 642821265 /nfs/dbraw/zinc/82/12/65/642821265.db2.gz BBBHDHXTSQRMST-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000968988835 642821901 /nfs/dbraw/zinc/82/19/01/642821901.db2.gz BBBHDHXTSQRMST-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000969008203 642821470 /nfs/dbraw/zinc/82/14/70/642821470.db2.gz RSDVXIWFTFFZKH-SECBINFHSA-N 1 0 248.286 -0.139 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC000969010274 642820971 /nfs/dbraw/zinc/82/09/71/642820971.db2.gz FIFWHNSGLMTINP-SNVBAGLBSA-N 1 0 246.270 -0.381 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000969026430 642821685 /nfs/dbraw/zinc/82/16/85/642821685.db2.gz FETTWRJRWDJTQP-GHMZBOCLSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000969038313 642820565 /nfs/dbraw/zinc/82/05/65/642820565.db2.gz KJUSDYNSZIAAAA-SECBINFHSA-N 1 0 246.270 -0.381 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000969167817 643090801 /nfs/dbraw/zinc/09/08/01/643090801.db2.gz YQSNBASABCFUMG-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000969167818 643091416 /nfs/dbraw/zinc/09/14/16/643091416.db2.gz YQSNBASABCFUMG-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000969175604 643093491 /nfs/dbraw/zinc/09/34/91/643093491.db2.gz WKNFFKDRSHFOTR-MRVPVSSYSA-N 1 0 219.248 -0.758 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000969175607 643092808 /nfs/dbraw/zinc/09/28/08/643092808.db2.gz WMIJJBCMVDGGMA-MRVPVSSYSA-N 1 0 221.264 -0.205 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC000969220345 643111381 /nfs/dbraw/zinc/11/13/81/643111381.db2.gz GESHAOKTRXUPCS-SNVBAGLBSA-N 1 0 232.287 -0.143 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000969439739 643171487 /nfs/dbraw/zinc/17/14/87/643171487.db2.gz KMEDTYFQEFIBBB-MFKMUULPSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000969439741 643172180 /nfs/dbraw/zinc/17/21/80/643172180.db2.gz KMEDTYFQEFIBBB-ZWNOBZJWSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000969491643 643181861 /nfs/dbraw/zinc/18/18/61/643181861.db2.gz QNZMEXLQEABCQN-MRVPVSSYSA-N 1 0 236.300 -0.025 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC000969547997 643188543 /nfs/dbraw/zinc/18/85/43/643188543.db2.gz BKZGOTNRUVCWJJ-SECBINFHSA-N 1 0 233.275 -0.450 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000969565783 643191578 /nfs/dbraw/zinc/19/15/78/643191578.db2.gz IKYOMZUYFJMBMT-NXEZZACHSA-N 1 0 237.303 -0.501 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000969565787 643191531 /nfs/dbraw/zinc/19/15/31/643191531.db2.gz IKYOMZUYFJMBMT-ZJUUUORDSA-N 1 0 237.303 -0.501 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC000969579143 643193285 /nfs/dbraw/zinc/19/32/85/643193285.db2.gz VWJSINLYNXEUKU-SECBINFHSA-N 1 0 248.286 -0.437 20 30 BBEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969586003 643196186 /nfs/dbraw/zinc/19/61/86/643196186.db2.gz DQERTQLCBDJAQT-SECBINFHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000969603774 643198643 /nfs/dbraw/zinc/19/86/43/643198643.db2.gz BZPJPSRESXXJHE-MNOVXSKESA-N 1 0 249.314 -0.569 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000969623352 643199994 /nfs/dbraw/zinc/19/99/94/643199994.db2.gz QXHUVXZCRLJFLS-MRVPVSSYSA-N 1 0 236.279 -0.800 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000969637536 643204021 /nfs/dbraw/zinc/20/40/21/643204021.db2.gz LWMCHYRXTWSWPB-GHMZBOCLSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC000969637537 643203077 /nfs/dbraw/zinc/20/30/77/643203077.db2.gz LWMCHYRXTWSWPB-MNOVXSKESA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000969644839 643205998 /nfs/dbraw/zinc/20/59/98/643205998.db2.gz PYHJKJCTIJBISA-WYUUTHIRSA-N 1 0 234.299 -0.298 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000969678941 643209745 /nfs/dbraw/zinc/20/97/45/643209745.db2.gz BZPJPSRESXXJHE-GHMZBOCLSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC000969706531 643213404 /nfs/dbraw/zinc/21/34/04/643213404.db2.gz KMLAURSBXROTOV-PWSUYJOCSA-N 1 0 240.278 -0.061 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC000969706536 643213765 /nfs/dbraw/zinc/21/37/65/643213765.db2.gz KMLAURSBXROTOV-ZYHUDNBSSA-N 1 0 240.278 -0.061 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000969743277 711460037 /nfs/dbraw/zinc/46/00/37/711460037.db2.gz CBLORDSXTZNKQP-SECBINFHSA-N 1 0 248.286 -0.240 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000969744512 711460710 /nfs/dbraw/zinc/46/07/10/711460710.db2.gz WUESFSWFWAAMRC-SECBINFHSA-N 1 0 246.270 -0.793 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000969766522 643217921 /nfs/dbraw/zinc/21/79/21/643217921.db2.gz PDLWMPGHDRLHFE-BDAKNGLRSA-N 1 0 238.291 -0.956 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000969766523 643218845 /nfs/dbraw/zinc/21/88/45/643218845.db2.gz PDLWMPGHDRLHFE-RKDXNWHRSA-N 1 0 238.291 -0.956 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969776455 643218738 /nfs/dbraw/zinc/21/87/38/643218738.db2.gz BUEKRGQJWXAMKA-MRVPVSSYSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969777314 643218839 /nfs/dbraw/zinc/21/88/39/643218839.db2.gz LPOCGEFEWCTXJI-SSDOTTSWSA-N 1 0 231.683 -0.585 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000969785943 643221111 /nfs/dbraw/zinc/22/11/11/643221111.db2.gz DLNYUBSKXMMFQX-SECBINFHSA-N 1 0 235.287 -0.924 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000969786467 643220648 /nfs/dbraw/zinc/22/06/48/643220648.db2.gz JDGBKZXJFVGCFE-SECBINFHSA-N 1 0 237.303 -0.372 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000969827645 643225211 /nfs/dbraw/zinc/22/52/11/643225211.db2.gz RWPAZRWOXHLEDV-SECBINFHSA-N 1 0 248.286 -0.437 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC000969850365 643233487 /nfs/dbraw/zinc/23/34/87/643233487.db2.gz PGEZCNLMSBCFHN-MFKMUULPSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC000969934151 643251572 /nfs/dbraw/zinc/25/15/72/643251572.db2.gz MTPYJKNCXGWXLO-MFKMUULPSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC000969934156 643251787 /nfs/dbraw/zinc/25/17/87/643251787.db2.gz MTPYJKNCXGWXLO-ZWNOBZJWSA-N 1 0 249.314 -0.664 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000969968664 643256760 /nfs/dbraw/zinc/25/67/60/643256760.db2.gz USSKQBGVDXBFKU-BBBLOLIVSA-N 1 0 237.303 -0.516 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC000970006557 711464860 /nfs/dbraw/zinc/46/48/60/711464860.db2.gz AHTBDYVXSUHFSA-LLVKDONJSA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2cn[nH]n2)C1 ZINC000970026245 643271464 /nfs/dbraw/zinc/27/14/64/643271464.db2.gz CYMZFPJJQNPMHY-SECBINFHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2cn[nH]n2)C1 ZINC000970026247 643269839 /nfs/dbraw/zinc/26/98/39/643269839.db2.gz CYMZFPJJQNPMHY-VIFPVBQESA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000970076521 643283369 /nfs/dbraw/zinc/28/33/69/643283369.db2.gz ZPFHCARTVFWWPX-LLVKDONJSA-N 1 0 230.271 -0.086 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000970098104 643290270 /nfs/dbraw/zinc/29/02/70/643290270.db2.gz MXDFIJNHWDECJA-SNVBAGLBSA-N 1 0 232.287 -0.224 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC000970246200 643403878 /nfs/dbraw/zinc/40/38/78/643403878.db2.gz CFEGEGDDKSKVPW-GHMZBOCLSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC000970246204 643403730 /nfs/dbraw/zinc/40/37/30/643403730.db2.gz CFEGEGDDKSKVPW-WDEREUQCSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000970257074 643405197 /nfs/dbraw/zinc/40/51/97/643405197.db2.gz AIFQJYOCOJHHQS-SECBINFHSA-N 1 0 233.275 -0.748 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000970257445 643406159 /nfs/dbraw/zinc/40/61/59/643406159.db2.gz JYAQXWDNMDAZHE-SECBINFHSA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC000970292795 643410389 /nfs/dbraw/zinc/41/03/89/643410389.db2.gz AEAVVSAHPAPJOJ-SNVBAGLBSA-N 1 0 230.271 -0.086 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000970297344 643409501 /nfs/dbraw/zinc/40/95/01/643409501.db2.gz OTZIVQJGWPEXLP-MRVPVSSYSA-N 1 0 221.264 -0.205 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000970297817 643410140 /nfs/dbraw/zinc/41/01/40/643410140.db2.gz WPBUUJCQCPFYEH-MRVPVSSYSA-N 1 0 219.248 -0.758 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnon2)C1 ZINC000970301500 643411213 /nfs/dbraw/zinc/41/12/13/643411213.db2.gz NKPWXJISVJZSKA-MRVPVSSYSA-N 1 0 220.232 -0.493 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000970313797 643411104 /nfs/dbraw/zinc/41/11/04/643411104.db2.gz MGBJTIPFHDJADF-SNVBAGLBSA-N 1 0 230.271 -0.086 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC000970316902 643413450 /nfs/dbraw/zinc/41/34/50/643413450.db2.gz UPOMKCSPIRYKOY-SNVBAGLBSA-N 1 0 230.271 -0.086 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000970340513 643417087 /nfs/dbraw/zinc/41/70/87/643417087.db2.gz AAMKVWFWIKSQBR-SNVBAGLBSA-N 1 0 232.287 -0.224 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 ZINC000970362499 643420920 /nfs/dbraw/zinc/42/09/20/643420920.db2.gz UVBHWOSQSCEERK-SNVBAGLBSA-N 1 0 247.302 -0.265 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2nonc2C)C1 ZINC000970373613 643420846 /nfs/dbraw/zinc/42/08/46/643420846.db2.gz HSHPCILDFWMPEH-SNVBAGLBSA-N 1 0 248.286 -0.256 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000970443607 643429943 /nfs/dbraw/zinc/42/99/43/643429943.db2.gz LWVNJFMDVFOMPN-SECBINFHSA-N 1 0 233.275 -0.829 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000970443669 643429829 /nfs/dbraw/zinc/42/98/29/643429829.db2.gz OQLRIRXBIONHSE-SECBINFHSA-N 1 0 235.291 -0.276 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC000970482720 643441585 /nfs/dbraw/zinc/44/15/85/643441585.db2.gz ZSMPVDHTMWAPRU-LLVKDONJSA-N 1 0 246.314 -0.214 20 30 BBEDRO N#CCN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970489493 711478192 /nfs/dbraw/zinc/47/81/92/711478192.db2.gz DCPVXRAVCRZGLU-LLVKDONJSA-N 1 0 248.330 -0.204 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000970520633 643454541 /nfs/dbraw/zinc/45/45/41/643454541.db2.gz GQENKQROWSIBEH-ZJUUUORDSA-N 1 0 235.287 -0.911 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000970521489 643453603 /nfs/dbraw/zinc/45/36/03/643453603.db2.gz PUGRUVFBXMSOLX-ZJUUUORDSA-N 1 0 237.303 -0.359 20 30 BBEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2nnc[nH]2)C1 ZINC000970613694 643484550 /nfs/dbraw/zinc/48/45/50/643484550.db2.gz RYDBMCUBKKIDJL-SECBINFHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2nnc[nH]2)C1 ZINC000970613698 643483602 /nfs/dbraw/zinc/48/36/02/643483602.db2.gz RYDBMCUBKKIDJL-VIFPVBQESA-N 1 0 247.302 -0.122 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC#N)C2)C1 ZINC000970712360 643510920 /nfs/dbraw/zinc/51/09/20/643510920.db2.gz NFXUGPZYUMDQJG-GHMZBOCLSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC#N)C2)C1 ZINC000970712363 643510059 /nfs/dbraw/zinc/51/00/59/643510059.db2.gz NFXUGPZYUMDQJG-WDEREUQCSA-N 1 0 236.319 -0.348 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000970714409 643508637 /nfs/dbraw/zinc/50/86/37/643508637.db2.gz GHLSYSNAWWXXGU-SNVBAGLBSA-N 1 0 232.287 -0.143 20 30 BBEDRO N#CCN[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970719579 643514796 /nfs/dbraw/zinc/51/47/96/643514796.db2.gz HAQKBWVCGLODCZ-LLVKDONJSA-N 1 0 236.319 -0.204 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000970858273 643577129 /nfs/dbraw/zinc/57/71/29/643577129.db2.gz WRDJAUGFVYHWBD-LLVKDONJSA-N 1 0 232.287 -0.293 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nonc2C)C1 ZINC000970864827 643577900 /nfs/dbraw/zinc/57/79/00/643577900.db2.gz ZDPJYLSAWWATCV-SECBINFHSA-N 1 0 234.259 -0.185 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)COC)C1 ZINC000970916862 643614800 /nfs/dbraw/zinc/61/48/00/643614800.db2.gz OVPXTPCFZIECGD-JTQLQIEISA-N 1 0 210.277 -0.201 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)COC)C1 ZINC000970916868 643614809 /nfs/dbraw/zinc/61/48/09/643614809.db2.gz OVPXTPCFZIECGD-SNVBAGLBSA-N 1 0 210.277 -0.201 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971204698 642327339 /nfs/dbraw/zinc/32/73/39/642327339.db2.gz NQECVXSFBPUKEH-GHMZBOCLSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971204699 642325631 /nfs/dbraw/zinc/32/56/31/642325631.db2.gz NQECVXSFBPUKEH-WDEREUQCSA-N 1 0 249.314 -0.569 20 30 BBEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000971211134 642325568 /nfs/dbraw/zinc/32/55/68/642325568.db2.gz OFMXEWKYALQUOB-NXEZZACHSA-N 1 0 225.292 -0.329 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000971211135 642327164 /nfs/dbraw/zinc/32/71/64/642327164.db2.gz OFMXEWKYALQUOB-UWVGGRQHSA-N 1 0 225.292 -0.329 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000971211136 642326663 /nfs/dbraw/zinc/32/66/63/642326663.db2.gz OFMXEWKYALQUOB-VHSXEESVSA-N 1 0 225.292 -0.329 20 30 BBEDRO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000971211137 642324839 /nfs/dbraw/zinc/32/48/39/642324839.db2.gz OFMXEWKYALQUOB-ZJUUUORDSA-N 1 0 225.292 -0.329 20 30 BBEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971235135 642330147 /nfs/dbraw/zinc/33/01/47/642330147.db2.gz DSEHEVLGNCMRLM-SECBINFHSA-N 1 0 225.292 -0.420 20 30 BBEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971235136 642329549 /nfs/dbraw/zinc/32/95/49/642329549.db2.gz DSEHEVLGNCMRLM-VIFPVBQESA-N 1 0 225.292 -0.420 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971235397 642330609 /nfs/dbraw/zinc/33/06/09/642330609.db2.gz KMKRGXRTRYLHCA-SECBINFHSA-N 1 0 223.276 -0.972 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971235398 642328589 /nfs/dbraw/zinc/32/85/89/642328589.db2.gz KMKRGXRTRYLHCA-VIFPVBQESA-N 1 0 223.276 -0.972 20 30 BBEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239601 642329243 /nfs/dbraw/zinc/32/92/43/642329243.db2.gz QHJGKJSFJMTXRE-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239602 642328517 /nfs/dbraw/zinc/32/85/17/642328517.db2.gz QHJGKJSFJMTXRE-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000971453151 642469380 /nfs/dbraw/zinc/46/93/80/642469380.db2.gz ZHLJZXFVCXQCRB-JTQLQIEISA-N 1 0 247.302 -0.405 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000971453152 642469943 /nfs/dbraw/zinc/46/99/43/642469943.db2.gz ZHLJZXFVCXQCRB-SNVBAGLBSA-N 1 0 247.302 -0.405 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC000971464317 631241102 /nfs/dbraw/zinc/24/11/02/631241102.db2.gz CPLXJPBQJMWRRL-JTQLQIEISA-N 1 0 247.302 -0.405 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC000971464318 631240783 /nfs/dbraw/zinc/24/07/83/631240783.db2.gz CPLXJPBQJMWRRL-SNVBAGLBSA-N 1 0 247.302 -0.405 20 30 BBEDRO C[N@H+](CCO)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971512055 631286857 /nfs/dbraw/zinc/28/68/57/631286857.db2.gz WNJYCCACBMIRLT-GFCCVEGCSA-N 1 0 236.315 -0.075 20 30 BBEDRO C[N@H+](CCO)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971512056 631287392 /nfs/dbraw/zinc/28/73/92/631287392.db2.gz WNJYCCACBMIRLT-LBPRGKRZSA-N 1 0 236.315 -0.075 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000971605916 631339330 /nfs/dbraw/zinc/33/93/30/631339330.db2.gz WRHKXIDKJMXUTN-LLVKDONJSA-N 1 0 247.302 -0.556 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000971605917 631338405 /nfs/dbraw/zinc/33/84/05/631338405.db2.gz WRHKXIDKJMXUTN-NSHDSACASA-N 1 0 247.302 -0.556 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971846934 631539019 /nfs/dbraw/zinc/53/90/19/631539019.db2.gz LHMKKTHMRKBJKU-SECBINFHSA-N 1 0 233.275 -0.416 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971846941 631538066 /nfs/dbraw/zinc/53/80/66/631538066.db2.gz LHMKKTHMRKBJKU-VIFPVBQESA-N 1 0 233.275 -0.416 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC000972057718 711579409 /nfs/dbraw/zinc/57/94/09/711579409.db2.gz BXHDDETYVWQFTF-JTQLQIEISA-N 1 0 247.302 -0.107 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC000972057724 711579230 /nfs/dbraw/zinc/57/92/30/711579230.db2.gz BXHDDETYVWQFTF-SNVBAGLBSA-N 1 0 247.302 -0.107 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972076078 631758138 /nfs/dbraw/zinc/75/81/38/631758138.db2.gz QYNFAUDNUCRQSD-GHMZBOCLSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972076079 631757420 /nfs/dbraw/zinc/75/74/20/631757420.db2.gz QYNFAUDNUCRQSD-MNOVXSKESA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972076080 631757221 /nfs/dbraw/zinc/75/72/21/631757221.db2.gz QYNFAUDNUCRQSD-QWRGUYRKSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972076081 631757824 /nfs/dbraw/zinc/75/78/24/631757824.db2.gz QYNFAUDNUCRQSD-WDEREUQCSA-N 1 0 249.314 -0.712 20 30 BBEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972210049 631876372 /nfs/dbraw/zinc/87/63/72/631876372.db2.gz OUQRIZLNXWAYJQ-MRVPVSSYSA-N 1 0 211.265 -0.810 20 30 BBEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972210051 631875430 /nfs/dbraw/zinc/87/54/30/631875430.db2.gz OUQRIZLNXWAYJQ-QMMMGPOBSA-N 1 0 211.265 -0.810 20 30 BBEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212196 631878621 /nfs/dbraw/zinc/87/86/21/631878621.db2.gz KMIIJRMMNZMYDG-SECBINFHSA-N 1 0 225.292 -0.420 20 30 BBEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212197 631877743 /nfs/dbraw/zinc/87/77/43/631877743.db2.gz KMIIJRMMNZMYDG-VIFPVBQESA-N 1 0 225.292 -0.420 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972216314 631877386 /nfs/dbraw/zinc/87/73/86/631877386.db2.gz OQOBARHVDFDNHW-JTQLQIEISA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972216316 631878736 /nfs/dbraw/zinc/87/87/36/631878736.db2.gz OQOBARHVDFDNHW-SNVBAGLBSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972347966 631970794 /nfs/dbraw/zinc/97/07/94/631970794.db2.gz DEMJREDQYPZTSK-AXFHLTTASA-N 1 0 249.314 -0.726 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972347967 631969243 /nfs/dbraw/zinc/96/92/43/631969243.db2.gz DEMJREDQYPZTSK-MXWKQRLJSA-N 1 0 249.314 -0.726 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000972545807 632439341 /nfs/dbraw/zinc/43/93/41/632439341.db2.gz VLMMLIHILFSGAD-JTQLQIEISA-N 1 0 247.302 -0.405 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000972545817 632439736 /nfs/dbraw/zinc/43/97/36/632439736.db2.gz VLMMLIHILFSGAD-SNVBAGLBSA-N 1 0 247.302 -0.405 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972568707 711633935 /nfs/dbraw/zinc/63/39/35/711633935.db2.gz SGDOIICAIIIAOK-SECBINFHSA-N 1 0 233.275 -0.416 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972568709 711633994 /nfs/dbraw/zinc/63/39/94/711633994.db2.gz SGDOIICAIIIAOK-VIFPVBQESA-N 1 0 233.275 -0.416 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000972687872 632605584 /nfs/dbraw/zinc/60/55/84/632605584.db2.gz OYDDWUODVGVFFI-JTQLQIEISA-N 1 0 247.302 -0.487 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000972687873 632604517 /nfs/dbraw/zinc/60/45/17/632604517.db2.gz OYDDWUODVGVFFI-SNVBAGLBSA-N 1 0 247.302 -0.487 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972763957 632659346 /nfs/dbraw/zinc/65/93/46/632659346.db2.gz NQECVXSFBPUKEH-MNOVXSKESA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972763958 632659185 /nfs/dbraw/zinc/65/91/85/632659185.db2.gz NQECVXSFBPUKEH-QWRGUYRKSA-N 1 0 249.314 -0.569 20 30 BBEDRO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974981719 634422011 /nfs/dbraw/zinc/42/20/11/634422011.db2.gz IBYDVCRFVHRWOL-SECBINFHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974981724 634423641 /nfs/dbraw/zinc/42/36/41/634423641.db2.gz IBYDVCRFVHRWOL-VIFPVBQESA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974987144 634422376 /nfs/dbraw/zinc/42/23/76/634422376.db2.gz SWBZPQGRKDOMGW-MRVPVSSYSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974987148 634423490 /nfs/dbraw/zinc/42/34/90/634423490.db2.gz SWBZPQGRKDOMGW-QMMMGPOBSA-N 1 0 225.292 -0.516 20 30 BBEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974998458 634423173 /nfs/dbraw/zinc/42/31/73/634423173.db2.gz RZHFHSDYNIBUAY-SECBINFHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CCC[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974998459 634421870 /nfs/dbraw/zinc/42/18/70/634421870.db2.gz RZHFHSDYNIBUAY-VIFPVBQESA-N 1 0 237.303 -0.678 20 30 BBEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975004868 634425971 /nfs/dbraw/zinc/42/59/71/634425971.db2.gz IJUFXSIWIIBORB-SECBINFHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCC[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000975004873 634424334 /nfs/dbraw/zinc/42/43/34/634424334.db2.gz IJUFXSIWIIBORB-VIFPVBQESA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c3)[C@@H]2C1 ZINC000977862134 634566934 /nfs/dbraw/zinc/56/69/34/634566934.db2.gz MTLLOUAWLRCDRQ-CNDDSTCGSA-N 1 0 244.298 -0.050 20 30 BBEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC000977879735 634567933 /nfs/dbraw/zinc/56/79/33/634567933.db2.gz JZHZQHJYDFPGPM-LPWJVIDDSA-N 1 0 248.326 -0.050 20 30 BBEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC000977879738 634567652 /nfs/dbraw/zinc/56/76/52/634567652.db2.gz JZHZQHJYDFPGPM-ZDEQEGDKSA-N 1 0 248.326 -0.050 20 30 BBEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncc[nH]3)[C@@H]2C1 ZINC000978130995 634582515 /nfs/dbraw/zinc/58/25/15/634582515.db2.gz MECVHVILXUNDOY-RTCCRHLQSA-N 1 0 244.298 -0.050 20 30 BBEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]n3)[C@@H]2C1 ZINC000978372219 634593154 /nfs/dbraw/zinc/59/31/54/634593154.db2.gz IOMFCTAKDXPPQW-OWUUHHOZSA-N 1 0 247.302 -0.102 20 30 BBEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]n3)[C@@H]2C1 ZINC000978373185 634593323 /nfs/dbraw/zinc/59/33/23/634593323.db2.gz KEQKZROBDDJZQS-OWUUHHOZSA-N 1 0 245.286 -0.655 20 30 BBEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1 ZINC000978876815 635114926 /nfs/dbraw/zinc/11/49/26/635114926.db2.gz HFGAITRZNYUSBJ-OWUUHHOZSA-N 1 0 245.286 -0.655 20 30 BBEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1 ZINC000978878873 635115223 /nfs/dbraw/zinc/11/52/23/635115223.db2.gz NMUQOSJZVWRTRI-OWUUHHOZSA-N 1 0 247.302 -0.102 20 30 BBEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnon3)[C@@H]2C1 ZINC000978891244 635115109 /nfs/dbraw/zinc/11/51/09/635115109.db2.gz ROLMQXNSVOEVHE-OWUUHHOZSA-N 1 0 246.270 -0.390 20 30 BBEDRO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980187417 635190148 /nfs/dbraw/zinc/19/01/48/635190148.db2.gz RWAUQWHRRNZREV-AXFHLTTASA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980187418 635191219 /nfs/dbraw/zinc/19/12/19/635191219.db2.gz RWAUQWHRRNZREV-DCAQKATOSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980187419 635190466 /nfs/dbraw/zinc/19/04/66/635190466.db2.gz RWAUQWHRRNZREV-GARJFASQSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980187420 635191262 /nfs/dbraw/zinc/19/12/62/635191262.db2.gz RWAUQWHRRNZREV-HBNTYKKESA-N 1 0 249.314 -0.678 20 30 BBEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980330707 635211129 /nfs/dbraw/zinc/21/11/29/635211129.db2.gz JQTRUFXHXAQOHL-LLVKDONJSA-N 1 0 249.318 -0.003 20 30 BBEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980330708 635212001 /nfs/dbraw/zinc/21/20/01/635212001.db2.gz JQTRUFXHXAQOHL-NSHDSACASA-N 1 0 249.318 -0.003 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980330711 635211904 /nfs/dbraw/zinc/21/19/04/635211904.db2.gz JUBWPRSAUPJJCQ-LLVKDONJSA-N 1 0 247.302 -0.556 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980330712 635211584 /nfs/dbraw/zinc/21/15/84/635211584.db2.gz JUBWPRSAUPJJCQ-NSHDSACASA-N 1 0 247.302 -0.556 20 30 BBEDRO C#CCN1CCCN(C(=O)COC)CC1 ZINC000980583666 635242011 /nfs/dbraw/zinc/24/20/11/635242011.db2.gz OOZGTPLKWBFVFS-UHFFFAOYSA-N 1 0 210.277 -0.200 20 30 BBEDRO CC#CC[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980866815 635292887 /nfs/dbraw/zinc/29/28/87/635292887.db2.gz GPPQHXZBYXITGM-UHFFFAOYSA-N 1 0 237.303 -0.581 20 30 BBEDRO C=C(C)C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980866904 635292349 /nfs/dbraw/zinc/29/23/49/635292349.db2.gz KNSMJCIHWBQEIU-UHFFFAOYSA-N 1 0 239.319 -0.028 20 30 BBEDRO C=CCC[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980867139 635293805 /nfs/dbraw/zinc/29/38/05/635293805.db2.gz STOPPSKVJZQVPX-UHFFFAOYSA-N 1 0 239.319 -0.028 20 30 BBEDRO C=CC[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980872460 635293427 /nfs/dbraw/zinc/29/34/27/635293427.db2.gz JPXYOAGLSLFLQP-UHFFFAOYSA-N 1 0 225.292 -0.418 20 30 BBEDRO C#CCC[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980873459 635292702 /nfs/dbraw/zinc/29/27/02/635292702.db2.gz XKUPBXKNHPCSFR-UHFFFAOYSA-N 1 0 237.303 -0.581 20 30 BBEDRO C#CCN1CCCN(C(=O)c2cnnn2C)CC1 ZINC000981071204 635315936 /nfs/dbraw/zinc/31/59/36/635315936.db2.gz CJIXAKFATVQDAF-UHFFFAOYSA-N 1 0 247.302 -0.404 20 30 BBEDRO C#CCN1CCCN(C(=O)c2cn(C)nn2)CC1 ZINC000981099866 635318348 /nfs/dbraw/zinc/31/83/48/635318348.db2.gz PALCHXIXKZDLCU-UHFFFAOYSA-N 1 0 247.302 -0.404 20 30 BBEDRO O=C(C#CC1CC1)N1CCC[N@@H+](CCO)CC1 ZINC000981126147 635319303 /nfs/dbraw/zinc/31/93/03/635319303.db2.gz PXWIKUAHHJRAKN-UHFFFAOYSA-N 1 0 236.315 -0.074 20 30 BBEDRO C=CC[N@@H+]1CCCN(C(=O)Cn2nccn2)CC1 ZINC000981249054 635348499 /nfs/dbraw/zinc/34/84/99/635348499.db2.gz MGFZNESWSXNOKZ-UHFFFAOYSA-N 1 0 249.318 -0.002 20 30 BBEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000981302447 635353278 /nfs/dbraw/zinc/35/32/78/635353278.db2.gz DMVRIUVFBPQEPU-BDAKNGLRSA-N 1 0 223.276 -0.878 20 30 BBEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000981302448 635354209 /nfs/dbraw/zinc/35/42/09/635354209.db2.gz DMVRIUVFBPQEPU-DTWKUNHWSA-N 1 0 223.276 -0.878 20 30 BBEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000981302449 635352171 /nfs/dbraw/zinc/35/21/71/635352171.db2.gz DMVRIUVFBPQEPU-IUCAKERBSA-N 1 0 223.276 -0.878 20 30 BBEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000981302450 635356623 /nfs/dbraw/zinc/35/66/23/635356623.db2.gz DMVRIUVFBPQEPU-RKDXNWHRSA-N 1 0 223.276 -0.878 20 30 BBEDRO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000981302622 635356415 /nfs/dbraw/zinc/35/64/15/635356415.db2.gz FOILNDNWQQIINR-BDAKNGLRSA-N 1 0 225.292 -0.325 20 30 BBEDRO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000981302623 635356618 /nfs/dbraw/zinc/35/66/18/635356618.db2.gz FOILNDNWQQIINR-DTWKUNHWSA-N 1 0 225.292 -0.325 20 30 BBEDRO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000981302624 635356927 /nfs/dbraw/zinc/35/69/27/635356927.db2.gz FOILNDNWQQIINR-IUCAKERBSA-N 1 0 225.292 -0.325 20 30 BBEDRO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000981302625 635356133 /nfs/dbraw/zinc/35/61/33/635356133.db2.gz FOILNDNWQQIINR-RKDXNWHRSA-N 1 0 225.292 -0.325 20 30 BBEDRO C#CCC[N@H+]1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC000981532910 635369667 /nfs/dbraw/zinc/36/96/67/635369667.db2.gz LWABBXGVPWWQPT-UHFFFAOYSA-N 1 0 247.302 -0.024 20 30 BBEDRO C#CC[N@H+]1CCCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000981679014 635387239 /nfs/dbraw/zinc/38/72/39/635387239.db2.gz HVNRTAWOBMBBDY-UHFFFAOYSA-N 1 0 249.314 -0.581 20 30 BBEDRO C=C(C)C[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981857200 635411200 /nfs/dbraw/zinc/41/12/00/635411200.db2.gz WKBQXMJJHPALOU-UHFFFAOYSA-N 1 0 225.292 -0.418 20 30 BBEDRO C#CCC[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981862058 635412611 /nfs/dbraw/zinc/41/26/11/635412611.db2.gz RWJMBMGBROYDAK-UHFFFAOYSA-N 1 0 223.276 -0.971 20 30 BBEDRO C=CCC[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981862060 635412704 /nfs/dbraw/zinc/41/27/04/635412704.db2.gz RZWFNLYARRMGOM-UHFFFAOYSA-N 1 0 225.292 -0.418 20 30 BBEDRO C=C(C)CC[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC000981862085 635411712 /nfs/dbraw/zinc/41/17/12/635411712.db2.gz TYZCGUBYQIWSPH-UHFFFAOYSA-N 1 0 239.319 -0.028 20 30 BBEDRO C#CC[N@H+]1CCCC2(CN(C(=O)C(N)=O)C2)C1 ZINC000981971531 635449508 /nfs/dbraw/zinc/44/95/08/635449508.db2.gz DXZHGPAGYWTXIK-UHFFFAOYSA-N 1 0 235.287 -0.971 20 30 BBEDRO C=CC[N@H+]1CCCC2(CN(C(=O)C(N)=O)C2)C1 ZINC000981972701 635448835 /nfs/dbraw/zinc/44/88/35/635448835.db2.gz YEMWDSICXDTFGL-UHFFFAOYSA-N 1 0 237.303 -0.418 20 30 BBEDRO C#CCC[N@H+]1CCCN(C(=O)c2nc[nH]n2)CC1 ZINC000982271643 635513539 /nfs/dbraw/zinc/51/35/39/635513539.db2.gz UXANOJULFSIMBL-UHFFFAOYSA-N 1 0 247.302 -0.024 20 30 BBEDRO CC#CCN1CCCN(C(=O)c2nc[nH]n2)CC1 ZINC000982274996 635516473 /nfs/dbraw/zinc/51/64/73/635516473.db2.gz AGYSNVZXBHFAHG-UHFFFAOYSA-N 1 0 247.302 -0.024 20 30 BBEDRO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC000982496715 635666370 /nfs/dbraw/zinc/66/63/70/635666370.db2.gz MPNOGMJKWFKYJB-BETUJISGSA-N 1 0 249.314 -0.725 20 30 BBEDRO C#CC[N@@H+](C)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985341811 636282154 /nfs/dbraw/zinc/28/21/54/636282154.db2.gz HONCSTDCTZNHBJ-UHFFFAOYSA-N 1 0 237.303 -0.582 20 30 BBEDRO C#CC[N@@H+](C)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000985519554 636330355 /nfs/dbraw/zinc/33/03/55/636330355.db2.gz VIQQYQYUHZDODR-UHFFFAOYSA-N 1 0 247.302 -0.026 20 30 BBEDRO C=C(C)C[N@@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985614061 636364718 /nfs/dbraw/zinc/36/47/18/636364718.db2.gz SMAZPGKHBMFMBG-UHFFFAOYSA-N 1 0 239.319 -0.029 20 30 BBEDRO C=CC[N@@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985617550 636365285 /nfs/dbraw/zinc/36/52/85/636365285.db2.gz LZQUIHKOZMYZKA-UHFFFAOYSA-N 1 0 225.292 -0.420 20 30 BBEDRO C#CC[N@@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985618033 636364946 /nfs/dbraw/zinc/36/49/46/636364946.db2.gz QICNSFZVXLEATH-UHFFFAOYSA-N 1 0 223.276 -0.972 20 30 BBEDRO C#CC[N@@H+](C)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000985705719 636388319 /nfs/dbraw/zinc/38/83/19/636388319.db2.gz XHRJMYWAGAZVEK-UHFFFAOYSA-N 1 0 247.302 -0.026 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)COC)[C@@H]1C ZINC000985831247 636423472 /nfs/dbraw/zinc/42/34/72/636423472.db2.gz FXJSCYWOSUNALM-NXEZZACHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)COC)[C@H]1C ZINC000985831248 636423724 /nfs/dbraw/zinc/42/37/24/636423724.db2.gz FXJSCYWOSUNALM-UWVGGRQHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)COC)[C@H]1C ZINC000985831249 636422819 /nfs/dbraw/zinc/42/28/19/636422819.db2.gz FXJSCYWOSUNALM-VHSXEESVSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)COC)[C@@H]1C ZINC000985831250 636422928 /nfs/dbraw/zinc/42/29/28/636422928.db2.gz FXJSCYWOSUNALM-ZJUUUORDSA-N 1 0 210.277 -0.155 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC000986110515 636510993 /nfs/dbraw/zinc/51/09/93/636510993.db2.gz KBAJRFAMOOMZQE-BDAKNGLRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC000986110517 636510165 /nfs/dbraw/zinc/51/01/65/636510165.db2.gz KBAJRFAMOOMZQE-DTWKUNHWSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC000986110518 636511027 /nfs/dbraw/zinc/51/10/27/636511027.db2.gz KBAJRFAMOOMZQE-IUCAKERBSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC000986110519 636510383 /nfs/dbraw/zinc/51/03/83/636510383.db2.gz KBAJRFAMOOMZQE-RKDXNWHRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC000986112708 636512194 /nfs/dbraw/zinc/51/21/94/636512194.db2.gz PHNDAIKUBGQNDB-BDAKNGLRSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC000986112713 636511749 /nfs/dbraw/zinc/51/17/49/636511749.db2.gz PHNDAIKUBGQNDB-DTWKUNHWSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC000986112716 636511996 /nfs/dbraw/zinc/51/19/96/636511996.db2.gz PHNDAIKUBGQNDB-IUCAKERBSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC000986112718 636512493 /nfs/dbraw/zinc/51/24/93/636512493.db2.gz PHNDAIKUBGQNDB-RKDXNWHRSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)[C@@H]1C ZINC000986226844 711788303 /nfs/dbraw/zinc/78/83/03/711788303.db2.gz AAJSSCPWJCXAAQ-NXEZZACHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C ZINC000986226846 711788327 /nfs/dbraw/zinc/78/83/27/711788327.db2.gz AAJSSCPWJCXAAQ-UWVGGRQHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C ZINC000986226850 711788332 /nfs/dbraw/zinc/78/83/32/711788332.db2.gz AAJSSCPWJCXAAQ-VHSXEESVSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)[C@@H]1C ZINC000986226854 711788337 /nfs/dbraw/zinc/78/83/37/711788337.db2.gz AAJSSCPWJCXAAQ-ZJUUUORDSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)[C@@H]1C ZINC000986237868 636549284 /nfs/dbraw/zinc/54/92/84/636549284.db2.gz ZNXFRHSGUJMGKM-NXEZZACHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C ZINC000986237870 636550285 /nfs/dbraw/zinc/55/02/85/636550285.db2.gz ZNXFRHSGUJMGKM-UWVGGRQHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C ZINC000986237871 636549231 /nfs/dbraw/zinc/54/92/31/636549231.db2.gz ZNXFRHSGUJMGKM-VHSXEESVSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)[C@@H]1C ZINC000986237873 636550607 /nfs/dbraw/zinc/55/06/07/636550607.db2.gz ZNXFRHSGUJMGKM-ZJUUUORDSA-N 1 0 247.302 -0.359 20 30 BBEDRO C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)C#CC1CC1 ZINC000986248756 636548760 /nfs/dbraw/zinc/54/87/60/636548760.db2.gz BHTQPTCKOCVCMD-CMPLNLGQSA-N 1 0 236.315 -0.029 20 30 BBEDRO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C#CC1CC1 ZINC000986248757 636548386 /nfs/dbraw/zinc/54/83/86/636548386.db2.gz BHTQPTCKOCVCMD-JQWIXIFHSA-N 1 0 236.315 -0.029 20 30 BBEDRO C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)C#CC1CC1 ZINC000986248761 636547625 /nfs/dbraw/zinc/54/76/25/636547625.db2.gz BHTQPTCKOCVCMD-PWSUYJOCSA-N 1 0 236.315 -0.029 20 30 BBEDRO C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)C#CC1CC1 ZINC000986248764 636548700 /nfs/dbraw/zinc/54/87/00/636548700.db2.gz BHTQPTCKOCVCMD-ZYHUDNBSSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)[C@@H]1C ZINC000986249032 636548376 /nfs/dbraw/zinc/54/83/76/636548376.db2.gz ZSFCPZILIZYBIE-NXEZZACHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC000986249035 636547977 /nfs/dbraw/zinc/54/79/77/636547977.db2.gz ZSFCPZILIZYBIE-UWVGGRQHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC000986249039 636548722 /nfs/dbraw/zinc/54/87/22/636548722.db2.gz ZSFCPZILIZYBIE-VHSXEESVSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnnn2C)[C@@H]1C ZINC000986249042 636547985 /nfs/dbraw/zinc/54/79/85/636547985.db2.gz ZSFCPZILIZYBIE-ZJUUUORDSA-N 1 0 247.302 -0.359 20 30 BBEDRO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C#CC1CC1 ZINC000986288680 636552354 /nfs/dbraw/zinc/55/23/54/636552354.db2.gz VHTSOKNPXSMEMI-GXSJLCMTSA-N 1 0 249.314 -0.536 20 30 BBEDRO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C#CC1CC1 ZINC000986288684 636552555 /nfs/dbraw/zinc/55/25/55/636552555.db2.gz VHTSOKNPXSMEMI-KOLCDFICSA-N 1 0 249.314 -0.536 20 30 BBEDRO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)C#CC1CC1 ZINC000986288686 636551298 /nfs/dbraw/zinc/55/12/98/636551298.db2.gz VHTSOKNPXSMEMI-MWLCHTKSSA-N 1 0 249.314 -0.536 20 30 BBEDRO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)C#CC1CC1 ZINC000986288689 636552613 /nfs/dbraw/zinc/55/26/13/636552613.db2.gz VHTSOKNPXSMEMI-ONGXEEELSA-N 1 0 249.314 -0.536 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)[C@@H]1C ZINC000986335391 636553609 /nfs/dbraw/zinc/55/36/09/636553609.db2.gz LBMIOVZUWJOJSN-GHMZBOCLSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2nccn2)[C@@H]1C ZINC000986335392 636553329 /nfs/dbraw/zinc/55/33/29/636553329.db2.gz LBMIOVZUWJOJSN-MNOVXSKESA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C ZINC000986335393 636553981 /nfs/dbraw/zinc/55/39/81/636553981.db2.gz LBMIOVZUWJOJSN-QWRGUYRKSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)[C@H]1C ZINC000986335394 636554172 /nfs/dbraw/zinc/55/41/72/636554172.db2.gz LBMIOVZUWJOJSN-WDEREUQCSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@@H]1C ZINC000986456874 636555511 /nfs/dbraw/zinc/55/55/11/636555511.db2.gz QBCKDNWEGZOSQW-BDAKNGLRSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)[C@H]1C ZINC000986456875 636555849 /nfs/dbraw/zinc/55/58/49/636555849.db2.gz QBCKDNWEGZOSQW-DTWKUNHWSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@H]1C ZINC000986456876 636555687 /nfs/dbraw/zinc/55/56/87/636555687.db2.gz QBCKDNWEGZOSQW-IUCAKERBSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)[C@@H]1C ZINC000986456877 636555336 /nfs/dbraw/zinc/55/53/36/636555336.db2.gz QBCKDNWEGZOSQW-RKDXNWHRSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)[C@@H]1C ZINC000986640713 711789762 /nfs/dbraw/zinc/78/97/62/711789762.db2.gz DSKZBXRYOFDGQN-NXEZZACHSA-N 1 0 247.302 -0.061 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2n[nH]nc2C)[C@H]1C ZINC000986640714 711789659 /nfs/dbraw/zinc/78/96/59/711789659.db2.gz DSKZBXRYOFDGQN-UWVGGRQHSA-N 1 0 247.302 -0.061 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)[C@H]1C ZINC000986640715 711789749 /nfs/dbraw/zinc/78/97/49/711789749.db2.gz DSKZBXRYOFDGQN-VHSXEESVSA-N 1 0 247.302 -0.061 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2n[nH]nc2C)[C@@H]1C ZINC000986640716 711789645 /nfs/dbraw/zinc/78/96/45/711789645.db2.gz DSKZBXRYOFDGQN-ZJUUUORDSA-N 1 0 247.302 -0.061 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@@H]1C ZINC000986654500 711789672 /nfs/dbraw/zinc/78/96/72/711789672.db2.gz CDMALNCMYMXDPT-BDAKNGLRSA-N 1 0 248.290 -0.964 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC000986654502 711789711 /nfs/dbraw/zinc/78/97/11/711789711.db2.gz CDMALNCMYMXDPT-DTWKUNHWSA-N 1 0 248.290 -0.964 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC000986654505 711789735 /nfs/dbraw/zinc/78/97/35/711789735.db2.gz CDMALNCMYMXDPT-IUCAKERBSA-N 1 0 248.290 -0.964 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)[C@@H]1C ZINC000986654506 711789654 /nfs/dbraw/zinc/78/96/54/711789654.db2.gz CDMALNCMYMXDPT-RKDXNWHRSA-N 1 0 248.290 -0.964 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnon2)[C@@H]1C ZINC000987209431 636641786 /nfs/dbraw/zinc/64/17/86/636641786.db2.gz BSIDXMXTZSQYCL-BDAKNGLRSA-N 1 0 234.259 -0.105 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnon2)[C@H]1C ZINC000987209434 636641289 /nfs/dbraw/zinc/64/12/89/636641289.db2.gz BSIDXMXTZSQYCL-DTWKUNHWSA-N 1 0 234.259 -0.105 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnon2)[C@H]1C ZINC000987209436 636641374 /nfs/dbraw/zinc/64/13/74/636641374.db2.gz BSIDXMXTZSQYCL-IUCAKERBSA-N 1 0 234.259 -0.105 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnon2)[C@@H]1C ZINC000987209439 636641020 /nfs/dbraw/zinc/64/10/20/636641020.db2.gz BSIDXMXTZSQYCL-RKDXNWHRSA-N 1 0 234.259 -0.105 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)[C@@H]1C ZINC000987317749 636646302 /nfs/dbraw/zinc/64/63/02/636646302.db2.gz IGGLYMQQDDHTPK-NXEZZACHSA-N 1 0 247.302 -0.441 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H]1C ZINC000987317750 636646461 /nfs/dbraw/zinc/64/64/61/636646461.db2.gz IGGLYMQQDDHTPK-UWVGGRQHSA-N 1 0 247.302 -0.441 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H]1C ZINC000987317751 636647103 /nfs/dbraw/zinc/64/71/03/636647103.db2.gz IGGLYMQQDDHTPK-VHSXEESVSA-N 1 0 247.302 -0.441 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)[C@@H]1C ZINC000987317752 636647302 /nfs/dbraw/zinc/64/73/02/636647302.db2.gz IGGLYMQQDDHTPK-ZJUUUORDSA-N 1 0 247.302 -0.441 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC000987469832 636651747 /nfs/dbraw/zinc/65/17/47/636651747.db2.gz BMLRWYFEBAADEC-GHMZBOCLSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC000987469833 636650626 /nfs/dbraw/zinc/65/06/26/636650626.db2.gz BMLRWYFEBAADEC-MNOVXSKESA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC000987469835 636651300 /nfs/dbraw/zinc/65/13/00/636651300.db2.gz BMLRWYFEBAADEC-QWRGUYRKSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC000987469836 636651062 /nfs/dbraw/zinc/65/10/62/636651062.db2.gz BMLRWYFEBAADEC-WDEREUQCSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)COC)C1 ZINC000987657655 636658868 /nfs/dbraw/zinc/65/88/68/636658868.db2.gz QSHYVWYVPGSUDX-NXEZZACHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)COC)C1 ZINC000987657657 636658620 /nfs/dbraw/zinc/65/86/20/636658620.db2.gz QSHYVWYVPGSUDX-UWVGGRQHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)COC)C1 ZINC000987657659 636658140 /nfs/dbraw/zinc/65/81/40/636658140.db2.gz QSHYVWYVPGSUDX-VHSXEESVSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)COC)C1 ZINC000987657660 636658919 /nfs/dbraw/zinc/65/89/19/636658919.db2.gz QSHYVWYVPGSUDX-ZJUUUORDSA-N 1 0 210.277 -0.155 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC000988436383 636709312 /nfs/dbraw/zinc/70/93/12/636709312.db2.gz VGTFWGJUSBCTKQ-BDAKNGLRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC000988436388 636708953 /nfs/dbraw/zinc/70/89/53/636708953.db2.gz VGTFWGJUSBCTKQ-DTWKUNHWSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC000988436391 636708922 /nfs/dbraw/zinc/70/89/22/636708922.db2.gz VGTFWGJUSBCTKQ-IUCAKERBSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC000988436394 636709836 /nfs/dbraw/zinc/70/98/36/636709836.db2.gz VGTFWGJUSBCTKQ-RKDXNWHRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC000988438970 636712323 /nfs/dbraw/zinc/71/23/23/636712323.db2.gz ZPYQFTRHHXOIKA-BDAKNGLRSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC000988438979 636711974 /nfs/dbraw/zinc/71/19/74/636711974.db2.gz ZPYQFTRHHXOIKA-DTWKUNHWSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC000988438987 636712256 /nfs/dbraw/zinc/71/22/56/636712256.db2.gz ZPYQFTRHHXOIKA-IUCAKERBSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC000988438988 636710515 /nfs/dbraw/zinc/71/05/15/636710515.db2.gz ZPYQFTRHHXOIKA-RKDXNWHRSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 ZINC000988768539 711796774 /nfs/dbraw/zinc/79/67/74/711796774.db2.gz XKZAVUBVDSHJIG-NXEZZACHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnnn2C)C1 ZINC000988768540 711796807 /nfs/dbraw/zinc/79/68/07/711796807.db2.gz XKZAVUBVDSHJIG-UWVGGRQHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnnn2C)C1 ZINC000988768541 711796901 /nfs/dbraw/zinc/79/69/01/711796901.db2.gz XKZAVUBVDSHJIG-VHSXEESVSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 ZINC000988768542 711796960 /nfs/dbraw/zinc/79/69/60/711796960.db2.gz XKZAVUBVDSHJIG-ZJUUUORDSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC000988777389 636785853 /nfs/dbraw/zinc/78/58/53/636785853.db2.gz MMSFQDQYVSOJCE-NXEZZACHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC000988777391 636785052 /nfs/dbraw/zinc/78/50/52/636785052.db2.gz MMSFQDQYVSOJCE-UWVGGRQHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC000988777392 636784758 /nfs/dbraw/zinc/78/47/58/636784758.db2.gz MMSFQDQYVSOJCE-VHSXEESVSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC000988777394 636785522 /nfs/dbraw/zinc/78/55/22/636785522.db2.gz MMSFQDQYVSOJCE-ZJUUUORDSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC000988781444 711797057 /nfs/dbraw/zinc/79/70/57/711797057.db2.gz CIPHQBXZCLJRJU-NXEZZACHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC000988781447 711797049 /nfs/dbraw/zinc/79/70/49/711797049.db2.gz CIPHQBXZCLJRJU-UWVGGRQHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC000988781450 711797052 /nfs/dbraw/zinc/79/70/52/711797052.db2.gz CIPHQBXZCLJRJU-VHSXEESVSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC000988781454 711797185 /nfs/dbraw/zinc/79/71/85/711797185.db2.gz CIPHQBXZCLJRJU-ZJUUUORDSA-N 1 0 247.302 -0.359 20 30 BBEDRO C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)C#CC1CC1 ZINC000988811569 711797285 /nfs/dbraw/zinc/79/72/85/711797285.db2.gz KFGSUNLWXOQEOT-CMPLNLGQSA-N 1 0 236.315 -0.029 20 30 BBEDRO C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)C#CC1CC1 ZINC000988811578 711797253 /nfs/dbraw/zinc/79/72/53/711797253.db2.gz KFGSUNLWXOQEOT-JQWIXIFHSA-N 1 0 236.315 -0.029 20 30 BBEDRO C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)C#CC1CC1 ZINC000988811580 711797315 /nfs/dbraw/zinc/79/73/15/711797315.db2.gz KFGSUNLWXOQEOT-PWSUYJOCSA-N 1 0 236.315 -0.029 20 30 BBEDRO C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)C#CC1CC1 ZINC000988811582 711797310 /nfs/dbraw/zinc/79/73/10/711797310.db2.gz KFGSUNLWXOQEOT-ZYHUDNBSSA-N 1 0 236.315 -0.029 20 30 BBEDRO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C#CC1CC1 ZINC000988824234 711797269 /nfs/dbraw/zinc/79/72/69/711797269.db2.gz FWWCEEQZGOAZAP-GXSJLCMTSA-N 1 0 249.314 -0.536 20 30 BBEDRO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C#CC1CC1 ZINC000988824237 711797266 /nfs/dbraw/zinc/79/72/66/711797266.db2.gz FWWCEEQZGOAZAP-KOLCDFICSA-N 1 0 249.314 -0.536 20 30 BBEDRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)C#CC1CC1 ZINC000988824238 711797234 /nfs/dbraw/zinc/79/72/34/711797234.db2.gz FWWCEEQZGOAZAP-MWLCHTKSSA-N 1 0 249.314 -0.536 20 30 BBEDRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)C#CC1CC1 ZINC000988824240 711797323 /nfs/dbraw/zinc/79/73/23/711797323.db2.gz FWWCEEQZGOAZAP-ONGXEEELSA-N 1 0 249.314 -0.536 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2nccn2)C1 ZINC000988884518 711797414 /nfs/dbraw/zinc/79/74/14/711797414.db2.gz IHIAWFMIAULVCQ-GHMZBOCLSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2nccn2)C1 ZINC000988884519 711797398 /nfs/dbraw/zinc/79/73/98/711797398.db2.gz IHIAWFMIAULVCQ-MNOVXSKESA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2nccn2)C1 ZINC000988884520 711797393 /nfs/dbraw/zinc/79/73/93/711797393.db2.gz IHIAWFMIAULVCQ-QWRGUYRKSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2nccn2)C1 ZINC000988884521 711797407 /nfs/dbraw/zinc/79/74/07/711797407.db2.gz IHIAWFMIAULVCQ-WDEREUQCSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989096539 636796713 /nfs/dbraw/zinc/79/67/13/636796713.db2.gz XEZXKKZIJOVDRQ-BDAKNGLRSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989096540 636797449 /nfs/dbraw/zinc/79/74/49/636797449.db2.gz XEZXKKZIJOVDRQ-DTWKUNHWSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989096541 636798083 /nfs/dbraw/zinc/79/80/83/636798083.db2.gz XEZXKKZIJOVDRQ-IUCAKERBSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989096542 636797616 /nfs/dbraw/zinc/79/76/16/636797616.db2.gz XEZXKKZIJOVDRQ-RKDXNWHRSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2n[nH]nc2C)C1 ZINC000989279222 636812625 /nfs/dbraw/zinc/81/26/25/636812625.db2.gz AXLXSGXFORWWHL-PSASIEDQSA-N 1 0 247.302 -0.061 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2n[nH]nc2C)C1 ZINC000989279226 636811617 /nfs/dbraw/zinc/81/16/17/636811617.db2.gz AXLXSGXFORWWHL-SCZZXKLOSA-N 1 0 247.302 -0.061 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2n[nH]nc2C)C1 ZINC000989279229 636813048 /nfs/dbraw/zinc/81/30/48/636813048.db2.gz AXLXSGXFORWWHL-WCBMZHEXSA-N 1 0 247.302 -0.061 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2n[nH]nc2C)C1 ZINC000989279233 636812820 /nfs/dbraw/zinc/81/28/20/636812820.db2.gz AXLXSGXFORWWHL-WPRPVWTQSA-N 1 0 247.302 -0.061 20 30 BBEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989381401 636821003 /nfs/dbraw/zinc/82/10/03/636821003.db2.gz WISMOBPMXIYTJS-BDAKNGLRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989381402 636821058 /nfs/dbraw/zinc/82/10/58/636821058.db2.gz WISMOBPMXIYTJS-DTWKUNHWSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989381403 636821093 /nfs/dbraw/zinc/82/10/93/636821093.db2.gz WISMOBPMXIYTJS-IUCAKERBSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989381404 636821088 /nfs/dbraw/zinc/82/10/88/636821088.db2.gz WISMOBPMXIYTJS-RKDXNWHRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989386467 711798223 /nfs/dbraw/zinc/79/82/23/711798223.db2.gz VYUGBIWJGPRYKM-HTQZYQBOSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989386470 711798181 /nfs/dbraw/zinc/79/81/81/711798181.db2.gz VYUGBIWJGPRYKM-JGVFFNPUSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989386475 711798220 /nfs/dbraw/zinc/79/82/20/711798220.db2.gz VYUGBIWJGPRYKM-SFYZADRCSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989386479 711798225 /nfs/dbraw/zinc/79/82/25/711798225.db2.gz VYUGBIWJGPRYKM-YUMQZZPRSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989387226 711798227 /nfs/dbraw/zinc/79/82/27/711798227.db2.gz XDYANTQYLQYHFO-HTQZYQBOSA-N 1 0 211.265 -0.763 20 30 BBEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989387228 711798233 /nfs/dbraw/zinc/79/82/33/711798233.db2.gz XDYANTQYLQYHFO-JGVFFNPUSA-N 1 0 211.265 -0.763 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC000989387230 711798232 /nfs/dbraw/zinc/79/82/32/711798232.db2.gz XDYANTQYLQYHFO-SFYZADRCSA-N 1 0 211.265 -0.763 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC000989387232 711798228 /nfs/dbraw/zinc/79/82/28/711798228.db2.gz XDYANTQYLQYHFO-YUMQZZPRSA-N 1 0 211.265 -0.763 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC000989549112 636860919 /nfs/dbraw/zinc/86/09/19/636860919.db2.gz FTBCPJRWLLFCBE-NXEZZACHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC000989549113 636861487 /nfs/dbraw/zinc/86/14/87/636861487.db2.gz FTBCPJRWLLFCBE-UWVGGRQHSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC000989549114 636861732 /nfs/dbraw/zinc/86/17/32/636861732.db2.gz FTBCPJRWLLFCBE-VHSXEESVSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC000989549115 636860652 /nfs/dbraw/zinc/86/06/52/636860652.db2.gz FTBCPJRWLLFCBE-ZJUUUORDSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989569864 636863780 /nfs/dbraw/zinc/86/37/80/636863780.db2.gz YENGZNPAIPEGJW-BDAKNGLRSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989569865 636863108 /nfs/dbraw/zinc/86/31/08/636863108.db2.gz YENGZNPAIPEGJW-DTWKUNHWSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989569866 636862777 /nfs/dbraw/zinc/86/27/77/636862777.db2.gz YENGZNPAIPEGJW-IUCAKERBSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989569867 636863346 /nfs/dbraw/zinc/86/33/46/636863346.db2.gz YENGZNPAIPEGJW-RKDXNWHRSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnon2)C1 ZINC000989575186 636863659 /nfs/dbraw/zinc/86/36/59/636863659.db2.gz HKLAYGGPBFSXKM-BDAKNGLRSA-N 1 0 234.259 -0.105 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnon2)C1 ZINC000989575187 636863191 /nfs/dbraw/zinc/86/31/91/636863191.db2.gz HKLAYGGPBFSXKM-DTWKUNHWSA-N 1 0 234.259 -0.105 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnon2)C1 ZINC000989575188 636863605 /nfs/dbraw/zinc/86/36/05/636863605.db2.gz HKLAYGGPBFSXKM-IUCAKERBSA-N 1 0 234.259 -0.105 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnon2)C1 ZINC000989575189 636862485 /nfs/dbraw/zinc/86/24/85/636862485.db2.gz HKLAYGGPBFSXKM-RKDXNWHRSA-N 1 0 234.259 -0.105 20 30 BBEDRO C=CC[N@@H+]1CCCN(C(=O)Cn2cncn2)CC1 ZINC000989620327 636867311 /nfs/dbraw/zinc/86/73/11/636867311.db2.gz YGCSUZMIJHHEQZ-UHFFFAOYSA-N 1 0 249.318 -0.002 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2nnc[nH]2)C1 ZINC000989657776 636870053 /nfs/dbraw/zinc/87/00/53/636870053.db2.gz PVYBDFKRPYJPGZ-NXEZZACHSA-N 1 0 247.302 -0.441 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2nnc[nH]2)C1 ZINC000989657777 636871272 /nfs/dbraw/zinc/87/12/72/636871272.db2.gz PVYBDFKRPYJPGZ-UWVGGRQHSA-N 1 0 247.302 -0.441 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2nnc[nH]2)C1 ZINC000989657779 636871392 /nfs/dbraw/zinc/87/13/92/636871392.db2.gz PVYBDFKRPYJPGZ-VHSXEESVSA-N 1 0 247.302 -0.441 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2nnc[nH]2)C1 ZINC000989657780 636871206 /nfs/dbraw/zinc/87/12/06/636871206.db2.gz PVYBDFKRPYJPGZ-ZJUUUORDSA-N 1 0 247.302 -0.441 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cncn2)C1 ZINC000989752791 636879678 /nfs/dbraw/zinc/87/96/78/636879678.db2.gz PLJCLYNVDCDZMX-GHMZBOCLSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cncn2)C1 ZINC000989752792 636879089 /nfs/dbraw/zinc/87/90/89/636879089.db2.gz PLJCLYNVDCDZMX-MNOVXSKESA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cncn2)C1 ZINC000989752793 636880136 /nfs/dbraw/zinc/88/01/36/636880136.db2.gz PLJCLYNVDCDZMX-QWRGUYRKSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cncn2)C1 ZINC000989752794 636880008 /nfs/dbraw/zinc/88/00/08/636880008.db2.gz PLJCLYNVDCDZMX-WDEREUQCSA-N 1 0 247.302 -0.510 20 30 BBEDRO C[C@H](C#N)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000990261124 636925998 /nfs/dbraw/zinc/92/59/98/636925998.db2.gz AGEOCMPGYFMJDB-MRVPVSSYSA-N 1 0 238.291 -0.788 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000990261126 636925098 /nfs/dbraw/zinc/92/50/98/636925098.db2.gz AGEOCMPGYFMJDB-QMMMGPOBSA-N 1 0 238.291 -0.788 20 30 BBEDRO C[C@H](C#N)C(=O)N1CCC([NH2+]CCO)CC1 ZINC000990314988 636927017 /nfs/dbraw/zinc/92/70/17/636927017.db2.gz QYSAPNNKRHDWJB-SECBINFHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CCC([NH2+]CCO)CC1 ZINC000990314998 636927382 /nfs/dbraw/zinc/92/73/82/636927382.db2.gz QYSAPNNKRHDWJB-VIFPVBQESA-N 1 0 225.292 -0.281 20 30 BBEDRO C=CC[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC000990422086 636941392 /nfs/dbraw/zinc/94/13/92/636941392.db2.gz AUVKNDPZKLAAEW-UHFFFAOYSA-N 1 0 225.292 -0.372 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC000990424513 636943137 /nfs/dbraw/zinc/94/31/37/636943137.db2.gz UGPACPDNSNNCSK-UHFFFAOYSA-N 1 0 223.276 -0.924 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)c2cnnn2C)CC1 ZINC000991983515 641316605 /nfs/dbraw/zinc/31/66/05/641316605.db2.gz ZHCCTYMJFCHAKU-UHFFFAOYSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC000992056212 641332291 /nfs/dbraw/zinc/33/22/91/641332291.db2.gz KIYQXUFOHVYOGI-UHFFFAOYSA-N 1 0 247.302 -0.358 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992139742 641352326 /nfs/dbraw/zinc/35/23/26/641352326.db2.gz CNMXIRUSQGZUAD-GWCFXTLKSA-N 1 0 249.314 -0.392 20 30 BBEDRO CC#CC[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992139745 641352070 /nfs/dbraw/zinc/35/20/70/641352070.db2.gz CNMXIRUSQGZUAD-GXFFZTMASA-N 1 0 249.314 -0.392 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992139748 641352310 /nfs/dbraw/zinc/35/23/10/641352310.db2.gz CNMXIRUSQGZUAD-MFKMUULPSA-N 1 0 249.314 -0.392 20 30 BBEDRO CC#CC[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992139756 641352139 /nfs/dbraw/zinc/35/21/39/641352139.db2.gz CNMXIRUSQGZUAD-ZWNOBZJWSA-N 1 0 249.314 -0.392 20 30 BBEDRO C#CC[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992140703 641351473 /nfs/dbraw/zinc/35/14/73/641351473.db2.gz AUHZCDOKKQAVTM-BXKDBHETSA-N 1 0 235.287 -0.782 20 30 BBEDRO C#CC[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992140708 641351987 /nfs/dbraw/zinc/35/19/87/641351987.db2.gz AUHZCDOKKQAVTM-CABZTGNLSA-N 1 0 235.287 -0.782 20 30 BBEDRO C#CC[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992140710 641351340 /nfs/dbraw/zinc/35/13/40/641351340.db2.gz AUHZCDOKKQAVTM-JOYOIKCWSA-N 1 0 235.287 -0.782 20 30 BBEDRO C#CC[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992140713 641351066 /nfs/dbraw/zinc/35/10/66/641351066.db2.gz AUHZCDOKKQAVTM-SKDRFNHKSA-N 1 0 235.287 -0.782 20 30 BBEDRO C#CCC[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992145718 641353431 /nfs/dbraw/zinc/35/34/31/641353431.db2.gz QNTXBNCRUMYXPX-GWCFXTLKSA-N 1 0 249.314 -0.392 20 30 BBEDRO C#CCC[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992145720 641353366 /nfs/dbraw/zinc/35/33/66/641353366.db2.gz QNTXBNCRUMYXPX-GXFFZTMASA-N 1 0 249.314 -0.392 20 30 BBEDRO C#CCC[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992145721 641354043 /nfs/dbraw/zinc/35/40/43/641354043.db2.gz QNTXBNCRUMYXPX-MFKMUULPSA-N 1 0 249.314 -0.392 20 30 BBEDRO C#CCC[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992145722 641353557 /nfs/dbraw/zinc/35/35/57/641353557.db2.gz QNTXBNCRUMYXPX-ZWNOBZJWSA-N 1 0 249.314 -0.392 20 30 BBEDRO C=CC[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992161949 641358840 /nfs/dbraw/zinc/35/88/40/641358840.db2.gz RMQSPXAIQWEWIU-BXKDBHETSA-N 1 0 237.303 -0.229 20 30 BBEDRO C=CC[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992161950 641359000 /nfs/dbraw/zinc/35/90/00/641359000.db2.gz RMQSPXAIQWEWIU-CABZTGNLSA-N 1 0 237.303 -0.229 20 30 BBEDRO C=CC[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992161951 641358130 /nfs/dbraw/zinc/35/81/30/641358130.db2.gz RMQSPXAIQWEWIU-JOYOIKCWSA-N 1 0 237.303 -0.229 20 30 BBEDRO C=CC[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992161952 641358516 /nfs/dbraw/zinc/35/85/16/641358516.db2.gz RMQSPXAIQWEWIU-SKDRFNHKSA-N 1 0 237.303 -0.229 20 30 BBEDRO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC000992795505 641636098 /nfs/dbraw/zinc/63/60/98/641636098.db2.gz ZTTNWULNCQLGMY-GARJFASQSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000992795510 641635673 /nfs/dbraw/zinc/63/56/73/641635673.db2.gz ZTTNWULNCQLGMY-GMTAPVOTSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000992795511 641636729 /nfs/dbraw/zinc/63/67/29/641636729.db2.gz ZTTNWULNCQLGMY-HBNTYKKESA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC000992795515 641636644 /nfs/dbraw/zinc/63/66/44/641636644.db2.gz ZTTNWULNCQLGMY-OUAUKWLOSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC000993752002 641878363 /nfs/dbraw/zinc/87/83/63/641878363.db2.gz TVOULPXKUVYQBF-NXEZZACHSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993752006 641878182 /nfs/dbraw/zinc/87/81/82/641878182.db2.gz TVOULPXKUVYQBF-UWVGGRQHSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993752013 641878768 /nfs/dbraw/zinc/87/87/68/641878768.db2.gz TVOULPXKUVYQBF-VHSXEESVSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC000993752018 641878091 /nfs/dbraw/zinc/87/80/91/641878091.db2.gz TVOULPXKUVYQBF-ZJUUUORDSA-N 1 0 237.303 -0.536 20 30 BBEDRO C=CC[N@H+]1CCC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC000993755737 641878644 /nfs/dbraw/zinc/87/86/44/641878644.db2.gz ZGBGKLOYUVKMNJ-BDAKNGLRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993755741 641878140 /nfs/dbraw/zinc/87/81/40/641878140.db2.gz ZGBGKLOYUVKMNJ-DTWKUNHWSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[N@H+]1CCC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993755743 641879872 /nfs/dbraw/zinc/87/98/72/641879872.db2.gz ZGBGKLOYUVKMNJ-IUCAKERBSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC000993755746 641880139 /nfs/dbraw/zinc/88/01/39/641880139.db2.gz ZGBGKLOYUVKMNJ-RKDXNWHRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000995562821 643328435 /nfs/dbraw/zinc/32/84/35/643328435.db2.gz OUHHTBHQNGQIKJ-NXEZZACHSA-N 1 0 239.319 -0.035 20 30 BBEDRO C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995562831 643327811 /nfs/dbraw/zinc/32/78/11/643327811.db2.gz OUHHTBHQNGQIKJ-UWVGGRQHSA-N 1 0 239.319 -0.035 20 30 BBEDRO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000995562834 643328989 /nfs/dbraw/zinc/32/89/89/643328989.db2.gz OUHHTBHQNGQIKJ-VHSXEESVSA-N 1 0 239.319 -0.035 20 30 BBEDRO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995562840 643328568 /nfs/dbraw/zinc/32/85/68/643328568.db2.gz OUHHTBHQNGQIKJ-ZJUUUORDSA-N 1 0 239.319 -0.035 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC000995575610 643331887 /nfs/dbraw/zinc/33/18/87/643331887.db2.gz UAJKZAHDWMAWNN-SECBINFHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC000995575616 643332782 /nfs/dbraw/zinc/33/27/82/643332782.db2.gz UAJKZAHDWMAWNN-VIFPVBQESA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC000995576884 643333454 /nfs/dbraw/zinc/33/34/54/643333454.db2.gz ZMBXDKIHGIMQTI-SECBINFHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC000995576885 643332237 /nfs/dbraw/zinc/33/22/37/643332237.db2.gz ZMBXDKIHGIMQTI-VIFPVBQESA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)CC1(C)C ZINC000995989541 643458905 /nfs/dbraw/zinc/45/89/05/643458905.db2.gz QBQODOFJKHUQNV-JTQLQIEISA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)CC1(C)C ZINC000995989543 643459063 /nfs/dbraw/zinc/45/90/63/643459063.db2.gz QBQODOFJKHUQNV-SNVBAGLBSA-N 1 0 247.302 -0.122 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC000996212973 643464331 /nfs/dbraw/zinc/46/43/31/643464331.db2.gz FIJXDKSNTXSLSR-MRVPVSSYSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC000996212974 643464189 /nfs/dbraw/zinc/46/41/89/643464189.db2.gz FIJXDKSNTXSLSR-QMMMGPOBSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC000996233227 643463669 /nfs/dbraw/zinc/46/36/69/643463669.db2.gz YXGOTPAGWLZQPM-SECBINFHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC000996233238 643464508 /nfs/dbraw/zinc/46/45/08/643464508.db2.gz YXGOTPAGWLZQPM-VIFPVBQESA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)c2ncn(C)n2)CC1 ZINC000996298487 643466269 /nfs/dbraw/zinc/46/62/69/643466269.db2.gz VOLWUJZMVOIEJU-UHFFFAOYSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)Cn2nccn2)CC1 ZINC000996624848 643486312 /nfs/dbraw/zinc/48/63/12/643486312.db2.gz MMIMBUFWNUPPQY-UHFFFAOYSA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000996757115 643504521 /nfs/dbraw/zinc/50/45/21/643504521.db2.gz SBDVTELWHRNBBK-UHFFFAOYSA-N 1 0 233.275 -0.368 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)c2n[nH]nc2C)CC1 ZINC000996869292 643524235 /nfs/dbraw/zinc/52/42/35/643524235.db2.gz DZZYKLSVBLEBLN-UHFFFAOYSA-N 1 0 247.302 -0.059 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000996871021 643527091 /nfs/dbraw/zinc/52/70/91/643527091.db2.gz BORVREXZTFEVND-LLVKDONJSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000996871023 643526294 /nfs/dbraw/zinc/52/62/94/643526294.db2.gz BORVREXZTFEVND-NSHDSACASA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000996900119 643545581 /nfs/dbraw/zinc/54/55/81/643545581.db2.gz ZTKXBHDDGYDLLR-UHFFFAOYSA-N 1 0 248.290 -0.963 20 30 BBEDRO C=CC[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC000996932325 643553348 /nfs/dbraw/zinc/55/33/48/643553348.db2.gz REDWTEAZDZCVRG-UHFFFAOYSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=C(C)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC000996938651 643557166 /nfs/dbraw/zinc/55/71/66/643557166.db2.gz OVYDTGLEHALPJJ-UHFFFAOYSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=C(Cl)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC000996941798 643559023 /nfs/dbraw/zinc/55/90/23/643559023.db2.gz NFYOTYDTXVZBTB-UHFFFAOYSA-N 1 0 245.710 -0.195 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000996949769 643564489 /nfs/dbraw/zinc/56/44/89/643564489.db2.gz MUGOMPQNQQIVOE-UHFFFAOYSA-N 1 0 249.314 -0.534 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000997002459 643571897 /nfs/dbraw/zinc/57/18/97/643571897.db2.gz PZMJSVRJPMGTID-MNOVXSKESA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC000997097014 643580712 /nfs/dbraw/zinc/58/07/12/643580712.db2.gz DUIXRGGAYBCKEX-UHFFFAOYSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000997097067 643580560 /nfs/dbraw/zinc/58/05/60/643580560.db2.gz FZBQQVSIMNUFMR-UHFFFAOYSA-N 1 0 233.275 -0.368 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)c2cnon2)CC1 ZINC000997103754 643582430 /nfs/dbraw/zinc/58/24/30/643582430.db2.gz RVSACZNRFJADEJ-UHFFFAOYSA-N 1 0 234.259 -0.103 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000997160174 643599984 /nfs/dbraw/zinc/59/99/84/643599984.db2.gz JRVFWAXLYKIIER-UHFFFAOYSA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000997198792 643601018 /nfs/dbraw/zinc/60/10/18/643601018.db2.gz NAMQNBIZNZVYQW-NSHDSACASA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+]C1CCN(C(=O)Cn2cncn2)CC1 ZINC000997259345 643605370 /nfs/dbraw/zinc/60/53/70/643605370.db2.gz JURJQDDVDWBPAA-UHFFFAOYSA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)COC)C1 ZINC000998323847 643695935 /nfs/dbraw/zinc/69/59/35/643695935.db2.gz QVMOVNUXLVXMOU-JTQLQIEISA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)COC)C1 ZINC000998323848 643696483 /nfs/dbraw/zinc/69/64/83/643696483.db2.gz QVMOVNUXLVXMOU-SNVBAGLBSA-N 1 0 210.277 -0.153 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC000998542509 643712504 /nfs/dbraw/zinc/71/25/04/643712504.db2.gz OKHCVVAETZTRIC-VQXHTEKXSA-N 1 0 249.314 -0.523 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cnnn2C)C1 ZINC000998710215 643718270 /nfs/dbraw/zinc/71/82/70/643718270.db2.gz CRHQHBKUKJTJCT-UHFFFAOYSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cn(C)nn2)C1 ZINC000998727396 643720547 /nfs/dbraw/zinc/72/05/47/643720547.db2.gz YJVCLTMVMNKBDS-UHFFFAOYSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ncn(C)n2)C1 ZINC000998735062 643720120 /nfs/dbraw/zinc/72/01/20/643720120.db2.gz RMKPLLJFGAKCRY-UHFFFAOYSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000998742962 643720169 /nfs/dbraw/zinc/72/01/69/643720169.db2.gz VACNGKJTEJMJCB-GHMZBOCLSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000998742963 643719190 /nfs/dbraw/zinc/71/91/90/643719190.db2.gz VACNGKJTEJMJCB-WDEREUQCSA-N 1 0 249.314 -0.521 20 30 BBEDRO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000998746392 643720597 /nfs/dbraw/zinc/72/05/97/643720597.db2.gz NQAYMYNLVYIOMY-BDAKNGLRSA-N 1 0 238.291 -0.788 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000998746393 643719699 /nfs/dbraw/zinc/71/96/99/643719699.db2.gz NQAYMYNLVYIOMY-DTWKUNHWSA-N 1 0 238.291 -0.788 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000998746394 643719753 /nfs/dbraw/zinc/71/97/53/643719753.db2.gz NQAYMYNLVYIOMY-IUCAKERBSA-N 1 0 238.291 -0.788 20 30 BBEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000998746396 643719902 /nfs/dbraw/zinc/71/99/02/643719902.db2.gz NQAYMYNLVYIOMY-RKDXNWHRSA-N 1 0 238.291 -0.788 20 30 BBEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000998748834 643721435 /nfs/dbraw/zinc/72/14/35/643721435.db2.gz XXJRWPGFLYQFQE-NXEZZACHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000998748840 643721341 /nfs/dbraw/zinc/72/13/41/643721341.db2.gz XXJRWPGFLYQFQE-UWVGGRQHSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000998748843 643721439 /nfs/dbraw/zinc/72/14/39/643721439.db2.gz XXJRWPGFLYQFQE-VHSXEESVSA-N 1 0 225.292 -0.281 20 30 BBEDRO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000998748845 643721571 /nfs/dbraw/zinc/72/15/71/643721571.db2.gz XXJRWPGFLYQFQE-ZJUUUORDSA-N 1 0 225.292 -0.281 20 30 BBEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998774972 711930801 /nfs/dbraw/zinc/93/08/01/711930801.db2.gz GNCWRKAGMOHJRN-SECBINFHSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CC[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998774978 711930981 /nfs/dbraw/zinc/93/09/81/711930981.db2.gz GNCWRKAGMOHJRN-VIFPVBQESA-N 1 0 225.292 -0.372 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998777553 711930900 /nfs/dbraw/zinc/93/09/00/711930900.db2.gz UWMNAXVYFNIPGF-SECBINFHSA-N 1 0 223.276 -0.924 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998777554 711930842 /nfs/dbraw/zinc/93/08/42/711930842.db2.gz UWMNAXVYFNIPGF-VIFPVBQESA-N 1 0 223.276 -0.924 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cn2nccn2)C1 ZINC000998835877 643723632 /nfs/dbraw/zinc/72/36/32/643723632.db2.gz LEZFIZLTFPNJAZ-UHFFFAOYSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cn[nH]n2)C1 ZINC000999042160 643729143 /nfs/dbraw/zinc/72/91/43/643729143.db2.gz MOADCRKLMMTYHX-UHFFFAOYSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC000999063271 643729731 /nfs/dbraw/zinc/72/97/31/643729731.db2.gz GQYBJPDZTXNVTB-JTQLQIEISA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC000999063283 643730638 /nfs/dbraw/zinc/73/06/38/643730638.db2.gz GQYBJPDZTXNVTB-SNVBAGLBSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC000999080993 643728465 /nfs/dbraw/zinc/72/84/65/643728465.db2.gz SYSINDXZXLCPFU-JTQLQIEISA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC000999080994 643728806 /nfs/dbraw/zinc/72/88/06/643728806.db2.gz SYSINDXZXLCPFU-SNVBAGLBSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC000999084373 643728557 /nfs/dbraw/zinc/72/85/57/643728557.db2.gz QEXSXLGBARXGAW-JTQLQIEISA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC000999084376 643728905 /nfs/dbraw/zinc/72/89/05/643728905.db2.gz QEXSXLGBARXGAW-SNVBAGLBSA-N 1 0 247.302 -0.358 20 30 BBEDRO O=C(C#CC1CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999118167 643729876 /nfs/dbraw/zinc/72/98/76/643729876.db2.gz RCSQRZIGWYGKHT-GFCCVEGCSA-N 1 0 236.315 -0.027 20 30 BBEDRO O=C(C#CC1CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999118168 643730758 /nfs/dbraw/zinc/73/07/58/643730758.db2.gz RCSQRZIGWYGKHT-LBPRGKRZSA-N 1 0 236.315 -0.027 20 30 BBEDRO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000999129225 643730506 /nfs/dbraw/zinc/73/05/06/643730506.db2.gz PINKEZIZRJTMTR-LLVKDONJSA-N 1 0 249.314 -0.534 20 30 BBEDRO NC(=O)C[NH2+][C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000999129236 643730573 /nfs/dbraw/zinc/73/05/73/643730573.db2.gz PINKEZIZRJTMTR-NSHDSACASA-N 1 0 249.314 -0.534 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2n[nH]nc2C)C1 ZINC000999214634 711932544 /nfs/dbraw/zinc/93/25/44/711932544.db2.gz WPQGQPWJPSGODE-UHFFFAOYSA-N 1 0 247.302 -0.061 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC000999227933 643732407 /nfs/dbraw/zinc/73/24/07/643732407.db2.gz IXMTUJZEZHVECF-ILDUYXDCSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC000999227935 643732238 /nfs/dbraw/zinc/73/22/38/643732238.db2.gz IXMTUJZEZHVECF-VQXHTEKXSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC000999251378 643733658 /nfs/dbraw/zinc/73/36/58/643733658.db2.gz UXUMPTRHZRSZMB-UHFFFAOYSA-N 1 0 248.290 -0.964 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC000999256119 643733079 /nfs/dbraw/zinc/73/30/79/643733079.db2.gz IJUYYFLWWRBLTR-LLVKDONJSA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC000999256120 643733539 /nfs/dbraw/zinc/73/35/39/643733539.db2.gz IJUYYFLWWRBLTR-NSHDSACASA-N 1 0 247.302 -0.508 20 30 BBEDRO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C(N)=O)C1 ZINC000999325404 643735047 /nfs/dbraw/zinc/73/50/47/643735047.db2.gz BDWLJMNWQIZKHO-UHFFFAOYSA-N 1 0 245.710 -0.197 20 30 BBEDRO C=CC[NH2+]C1CC(N(C)C(=O)C(N)=O)C1 ZINC000999327027 643735236 /nfs/dbraw/zinc/73/52/36/643735236.db2.gz QXPKJPBVOZAJIX-UHFFFAOYSA-N 1 0 211.265 -0.763 20 30 BBEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)C(N)=O)C1 ZINC000999327075 643735355 /nfs/dbraw/zinc/73/53/55/643735355.db2.gz SVMYAUBWAFFPNM-UHFFFAOYSA-N 1 0 225.292 -0.373 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999417554 643734723 /nfs/dbraw/zinc/73/47/23/643734723.db2.gz LBDAQWMOSQOFEB-LXKPXOPUSA-N 1 0 249.314 -0.680 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cnn(C)n2)C1 ZINC000999551072 643737636 /nfs/dbraw/zinc/73/76/36/643737636.db2.gz GKRUIBBOLNYSDZ-UHFFFAOYSA-N 1 0 247.302 -0.359 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2nc[nH]n2)C1 ZINC000999574729 643737885 /nfs/dbraw/zinc/73/78/85/643737885.db2.gz FFMQWXXHJANRDH-UHFFFAOYSA-N 1 0 233.275 -0.370 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000999579263 643738390 /nfs/dbraw/zinc/73/83/90/643738390.db2.gz ILVLDCDDKARBPU-SECBINFHSA-N 1 0 233.275 -0.368 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000999579264 643738489 /nfs/dbraw/zinc/73/84/89/643738489.db2.gz ILVLDCDDKARBPU-VIFPVBQESA-N 1 0 233.275 -0.368 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cnon2)C1 ZINC000999581013 643737666 /nfs/dbraw/zinc/73/76/66/643737666.db2.gz BZVATXORKRYXRZ-UHFFFAOYSA-N 1 0 234.259 -0.105 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cc2nnc[nH]2)C1 ZINC000999660504 643739121 /nfs/dbraw/zinc/73/91/21/643739121.db2.gz MLWUDSZVJUUMBH-UHFFFAOYSA-N 1 0 247.302 -0.441 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000999713439 643739842 /nfs/dbraw/zinc/73/98/42/643739842.db2.gz OKHCVVAETZTRIC-ILDUYXDCSA-N 1 0 249.314 -0.523 20 30 BBEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cn2cncn2)C1 ZINC000999792846 643742467 /nfs/dbraw/zinc/74/24/67/643742467.db2.gz NDCQNKHUPREOSY-UHFFFAOYSA-N 1 0 247.302 -0.510 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2n[nH]nc2C)C1 ZINC000999861966 643744044 /nfs/dbraw/zinc/74/40/44/643744044.db2.gz CBNNMTPXKIPSNY-JTQLQIEISA-N 1 0 247.302 -0.059 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2n[nH]nc2C)C1 ZINC000999861969 643743724 /nfs/dbraw/zinc/74/37/24/643743724.db2.gz CBNNMTPXKIPSNY-SNVBAGLBSA-N 1 0 247.302 -0.059 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000999885074 643740910 /nfs/dbraw/zinc/74/09/10/643740910.db2.gz URHITVICHIBQLT-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000999885085 643741821 /nfs/dbraw/zinc/74/18/21/643741821.db2.gz URHITVICHIBQLT-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000999885093 643741504 /nfs/dbraw/zinc/74/15/04/643741504.db2.gz URHITVICHIBQLT-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000999885099 643741492 /nfs/dbraw/zinc/74/14/92/643741492.db2.gz URHITVICHIBQLT-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC000999923946 643743975 /nfs/dbraw/zinc/74/39/75/643743975.db2.gz UMAPEKLQKJSVMT-SECBINFHSA-N 1 0 248.290 -0.963 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC000999923948 643744230 /nfs/dbraw/zinc/74/42/30/643744230.db2.gz UMAPEKLQKJSVMT-VIFPVBQESA-N 1 0 248.290 -0.963 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](n2cc(CNC(C)=O)nn2)C1 ZINC000999936691 643745119 /nfs/dbraw/zinc/74/51/19/643745119.db2.gz CSGCCCQTUFVKQS-GFCCVEGCSA-N 1 0 247.302 -0.206 20 30 BBEDRO C#CC[N@H+]1CC[C@H](n2cc(CNC(C)=O)nn2)C1 ZINC000999936693 643745825 /nfs/dbraw/zinc/74/58/25/643745825.db2.gz CSGCCCQTUFVKQS-LBPRGKRZSA-N 1 0 247.302 -0.206 20 30 BBEDRO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000054056 643746546 /nfs/dbraw/zinc/74/65/46/643746546.db2.gz BFENQNNKWRKOCN-MRVPVSSYSA-N 1 0 245.710 -0.195 20 30 BBEDRO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000054062 643747671 /nfs/dbraw/zinc/74/76/71/643747671.db2.gz BFENQNNKWRKOCN-QMMMGPOBSA-N 1 0 245.710 -0.195 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000055321 643747255 /nfs/dbraw/zinc/74/72/55/643747255.db2.gz HFBGHOXADMYPRB-SECBINFHSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000055324 643747735 /nfs/dbraw/zinc/74/77/35/643747735.db2.gz HFBGHOXADMYPRB-VIFPVBQESA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000056810 643746722 /nfs/dbraw/zinc/74/67/22/643746722.db2.gz LFQRPZISKJNRQZ-MRVPVSSYSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000056814 643747317 /nfs/dbraw/zinc/74/73/17/643747317.db2.gz LFQRPZISKJNRQZ-QMMMGPOBSA-N 1 0 211.265 -0.762 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001000065131 643749225 /nfs/dbraw/zinc/74/92/25/643749225.db2.gz PYULFYADKUXNJY-JTQLQIEISA-N 1 0 249.314 -0.534 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001000065136 643749060 /nfs/dbraw/zinc/74/90/60/643749060.db2.gz PYULFYADKUXNJY-SNVBAGLBSA-N 1 0 249.314 -0.534 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001000207991 643758205 /nfs/dbraw/zinc/75/82/05/643758205.db2.gz IHQFWPSEWAJROD-AXFHLTTASA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001000207992 643757832 /nfs/dbraw/zinc/75/78/32/643757832.db2.gz IHQFWPSEWAJROD-MXWKQRLJSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001000465202 643784438 /nfs/dbraw/zinc/78/44/38/643784438.db2.gz OXVWMCLHIBIEBE-JTQLQIEISA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001000465205 643784250 /nfs/dbraw/zinc/78/42/50/643784250.db2.gz OXVWMCLHIBIEBE-SNVBAGLBSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001000486806 643786159 /nfs/dbraw/zinc/78/61/59/643786159.db2.gz AHESCUZUTRAPIQ-SECBINFHSA-N 1 0 233.275 -0.368 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001000486807 643785698 /nfs/dbraw/zinc/78/56/98/643785698.db2.gz AHESCUZUTRAPIQ-VIFPVBQESA-N 1 0 233.275 -0.368 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001000511147 643787585 /nfs/dbraw/zinc/78/75/85/643787585.db2.gz IEKVRYLNFWUYEP-SECBINFHSA-N 1 0 234.259 -0.103 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001000511148 643786782 /nfs/dbraw/zinc/78/67/82/643786782.db2.gz IEKVRYLNFWUYEP-VIFPVBQESA-N 1 0 234.259 -0.103 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001000646018 643794706 /nfs/dbraw/zinc/79/47/06/643794706.db2.gz XFMJJHAQOFRWFM-JTQLQIEISA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001000646019 643795921 /nfs/dbraw/zinc/79/59/21/643795921.db2.gz XFMJJHAQOFRWFM-SNVBAGLBSA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001000734337 643796243 /nfs/dbraw/zinc/79/62/43/643796243.db2.gz VACNGKJTEJMJCB-MNOVXSKESA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001000734338 643795877 /nfs/dbraw/zinc/79/58/77/643795877.db2.gz VACNGKJTEJMJCB-QWRGUYRKSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001000863081 643797759 /nfs/dbraw/zinc/79/77/59/643797759.db2.gz PWUOYAPTCORLIJ-LLVKDONJSA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001000863082 643797482 /nfs/dbraw/zinc/79/74/82/643797482.db2.gz PWUOYAPTCORLIJ-NSHDSACASA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CC[NH+]1CCC(CNC(=O)c2cn[nH]n2)CC1 ZINC001001580853 643807333 /nfs/dbraw/zinc/80/73/33/643807333.db2.gz PNNAZSCUYSEIDF-UHFFFAOYSA-N 1 0 247.302 -0.120 20 30 BBEDRO C#CC[NH+]1CCC(CNC(=O)c2nnc[nH]2)CC1 ZINC001001953210 643809187 /nfs/dbraw/zinc/80/91/87/643809187.db2.gz XFGVRROFSVUNPH-UHFFFAOYSA-N 1 0 247.302 -0.120 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001002462693 643826289 /nfs/dbraw/zinc/82/62/89/643826289.db2.gz SZKSGDVFEFAHEX-LLVKDONJSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)Cn2nccn2)CC1 ZINC001002916472 643858673 /nfs/dbraw/zinc/85/86/73/643858673.db2.gz FLFBQQRIMNIFGX-UHFFFAOYSA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)c2[nH]nnc2C)CC1 ZINC001003415618 643889428 /nfs/dbraw/zinc/88/94/28/643889428.db2.gz JNCIYYMSFSAUFB-UHFFFAOYSA-N 1 0 247.302 -0.059 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001003429770 643891334 /nfs/dbraw/zinc/89/13/34/643891334.db2.gz UOIGTHLELVBILA-LLVKDONJSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001003429773 643891035 /nfs/dbraw/zinc/89/10/35/643891035.db2.gz UOIGTHLELVBILA-NSHDSACASA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001003447587 643893416 /nfs/dbraw/zinc/89/34/16/643893416.db2.gz XSEJVEJWRYFVPZ-UHFFFAOYSA-N 1 0 248.290 -0.963 20 30 BBEDRO C=C(C)C[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003535032 643899562 /nfs/dbraw/zinc/89/95/62/643899562.db2.gz NVMBTULNPQBHAW-UHFFFAOYSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003535346 643899534 /nfs/dbraw/zinc/89/95/34/643899534.db2.gz RUKJNJUWFQMPMC-UHFFFAOYSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=CCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003539095 643900699 /nfs/dbraw/zinc/90/06/99/643900699.db2.gz FUCFFIMYLDCROV-UHFFFAOYSA-N 1 0 225.292 -0.372 20 30 BBEDRO CC#CC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003539191 643901055 /nfs/dbraw/zinc/90/10/55/643901055.db2.gz IEYSSIZZDILUCT-UHFFFAOYSA-N 1 0 223.276 -0.924 20 30 BBEDRO C#CCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003540293 643900653 /nfs/dbraw/zinc/90/06/53/643900653.db2.gz RVVUKRMYMNDOOX-UHFFFAOYSA-N 1 0 223.276 -0.924 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001003816843 643950078 /nfs/dbraw/zinc/95/00/78/643950078.db2.gz DHRIMNBVSCPUNS-UHFFFAOYSA-N 1 0 234.259 -0.103 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001003932574 643970156 /nfs/dbraw/zinc/97/01/56/643970156.db2.gz IWJUKPJEZSSDKW-UHFFFAOYSA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001004002663 643977887 /nfs/dbraw/zinc/97/78/87/643977887.db2.gz SZKSGDVFEFAHEX-NSHDSACASA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001004103495 643986130 /nfs/dbraw/zinc/98/61/30/643986130.db2.gz STGKIEVVHITMJR-UHFFFAOYSA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CCC[NH+]1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001005914153 644261029 /nfs/dbraw/zinc/26/10/29/644261029.db2.gz MLAQLALAFPDPFP-UHFFFAOYSA-N 1 0 237.303 -0.582 20 30 BBEDRO C=C(C)C[NH+]1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001005915233 644265291 /nfs/dbraw/zinc/26/52/91/644265291.db2.gz RXCOURUTGBXQLD-UHFFFAOYSA-N 1 0 239.319 -0.029 20 30 BBEDRO C#CC[NH+]1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001005918004 644266355 /nfs/dbraw/zinc/26/63/55/644266355.db2.gz PKMZIBZGDCTWTE-UHFFFAOYSA-N 1 0 223.276 -0.972 20 30 BBEDRO C=CC[NH+]1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001005918626 644265916 /nfs/dbraw/zinc/26/59/16/644265916.db2.gz UAARFCMPGXSDOQ-UHFFFAOYSA-N 1 0 225.292 -0.420 20 30 BBEDRO CC#CC[NH+]1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001005919502 644266622 /nfs/dbraw/zinc/26/66/22/644266622.db2.gz BIDXYJSVTBOKAE-UHFFFAOYSA-N 1 0 237.303 -0.582 20 30 BBEDRO C=CCC[NH+]1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001005921178 644268448 /nfs/dbraw/zinc/26/84/48/644268448.db2.gz RTIUDZJFNOECAJ-UHFFFAOYSA-N 1 0 239.319 -0.029 20 30 BBEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008370239 642832149 /nfs/dbraw/zinc/83/21/49/642832149.db2.gz JEIAXEQEVCYARP-SECBINFHSA-N 1 0 223.276 -0.924 20 30 BBEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008370241 642832700 /nfs/dbraw/zinc/83/27/00/642832700.db2.gz JEIAXEQEVCYARP-VIFPVBQESA-N 1 0 223.276 -0.924 20 30 BBEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008378673 642832454 /nfs/dbraw/zinc/83/24/54/642832454.db2.gz MGYOWWJNDMVTJF-SECBINFHSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008378677 642833027 /nfs/dbraw/zinc/83/30/27/642833027.db2.gz MGYOWWJNDMVTJF-VIFPVBQESA-N 1 0 225.292 -0.372 20 30 BBEDRO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001008381066 642831469 /nfs/dbraw/zinc/83/14/69/642831469.db2.gz VVKAERQTAAJABY-SECBINFHSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008381067 642832477 /nfs/dbraw/zinc/83/24/77/642832477.db2.gz VVKAERQTAAJABY-VIFPVBQESA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010081884 642852862 /nfs/dbraw/zinc/85/28/62/642852862.db2.gz ASKJTGQSVJYEIS-SECBINFHSA-N 1 0 236.279 -0.950 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010081888 642851679 /nfs/dbraw/zinc/85/16/79/642851679.db2.gz ASKJTGQSVJYEIS-VIFPVBQESA-N 1 0 236.279 -0.950 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010252455 642854678 /nfs/dbraw/zinc/85/46/78/642854678.db2.gz ISNUIZIYQMYMHD-GHMZBOCLSA-N 1 0 240.303 -0.222 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010252457 642855147 /nfs/dbraw/zinc/85/51/47/642855147.db2.gz ISNUIZIYQMYMHD-MNOVXSKESA-N 1 0 240.303 -0.222 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010252458 642854466 /nfs/dbraw/zinc/85/44/66/642854466.db2.gz ISNUIZIYQMYMHD-QWRGUYRKSA-N 1 0 240.303 -0.222 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010252459 642855681 /nfs/dbraw/zinc/85/56/81/642855681.db2.gz ISNUIZIYQMYMHD-WDEREUQCSA-N 1 0 240.303 -0.222 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CC#N)C1 ZINC001010367966 635443321 /nfs/dbraw/zinc/44/33/21/635443321.db2.gz BJEPUETVERNHRO-GHMZBOCLSA-N 1 0 236.319 -0.205 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC#N)C1 ZINC001010367969 635443872 /nfs/dbraw/zinc/44/38/72/635443872.db2.gz BJEPUETVERNHRO-MNOVXSKESA-N 1 0 236.319 -0.205 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC#N)C1 ZINC001010367970 635443630 /nfs/dbraw/zinc/44/36/30/635443630.db2.gz BJEPUETVERNHRO-QWRGUYRKSA-N 1 0 236.319 -0.205 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CC#N)C1 ZINC001010367971 635442807 /nfs/dbraw/zinc/44/28/07/635442807.db2.gz BJEPUETVERNHRO-WDEREUQCSA-N 1 0 236.319 -0.205 20 30 BBEDRO C#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370601 642859230 /nfs/dbraw/zinc/85/92/30/642859230.db2.gz YZHMJRUEGIVBDV-NEPJUHHUSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370602 642860076 /nfs/dbraw/zinc/86/00/76/642860076.db2.gz YZHMJRUEGIVBDV-NWDGAFQWSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370603 642860620 /nfs/dbraw/zinc/86/06/20/642860620.db2.gz YZHMJRUEGIVBDV-RYUDHWBXSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370604 642861012 /nfs/dbraw/zinc/86/10/12/642861012.db2.gz YZHMJRUEGIVBDV-VXGBXAGGSA-N 1 0 235.331 -0.096 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010377620 642862352 /nfs/dbraw/zinc/86/23/52/642862352.db2.gz DSBZVCGHZQBDJX-NXEZZACHSA-N 1 0 237.303 -0.359 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010377621 642863669 /nfs/dbraw/zinc/86/36/69/642863669.db2.gz DSBZVCGHZQBDJX-VHSXEESVSA-N 1 0 237.303 -0.359 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010382020 635476760 /nfs/dbraw/zinc/47/67/60/635476760.db2.gz YVZJTXAVKDWCDJ-GHMZBOCLSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010382027 635476373 /nfs/dbraw/zinc/47/63/73/635476373.db2.gz YVZJTXAVKDWCDJ-WDEREUQCSA-N 1 0 249.314 -0.521 20 30 BBEDRO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCO)C2)c1 ZINC001010468755 642864915 /nfs/dbraw/zinc/86/49/15/642864915.db2.gz GOYZLPDOMBONMW-JTQLQIEISA-N 1 0 248.286 -0.317 20 30 BBEDRO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)c1 ZINC001010468761 642865927 /nfs/dbraw/zinc/86/59/27/642865927.db2.gz GOYZLPDOMBONMW-SNVBAGLBSA-N 1 0 248.286 -0.317 20 30 BBEDRO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C2)[nH]1 ZINC001010653992 710594307 /nfs/dbraw/zinc/59/43/07/710594307.db2.gz DZAWKFDZPCKKDR-JTQLQIEISA-N 1 0 248.286 -0.317 20 30 BBEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)[nH]1 ZINC001010653993 710594637 /nfs/dbraw/zinc/59/46/37/710594637.db2.gz DZAWKFDZPCKKDR-SNVBAGLBSA-N 1 0 248.286 -0.317 20 30 BBEDRO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C2)c[nH]1 ZINC001010694222 642872919 /nfs/dbraw/zinc/87/29/19/642872919.db2.gz BZIXHKKKEUXYSL-JTQLQIEISA-N 1 0 248.286 -0.317 20 30 BBEDRO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)c[nH]1 ZINC001010694225 642873087 /nfs/dbraw/zinc/87/30/87/642873087.db2.gz BZIXHKKKEUXYSL-SNVBAGLBSA-N 1 0 248.286 -0.317 20 30 BBEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010709658 642873215 /nfs/dbraw/zinc/87/32/15/642873215.db2.gz UAPCJGWVQPYULA-SECBINFHSA-N 1 0 249.318 -0.008 20 30 BBEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001010709661 642871264 /nfs/dbraw/zinc/87/12/64/642871264.db2.gz UAPCJGWVQPYULA-VIFPVBQESA-N 1 0 249.318 -0.008 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)C1 ZINC001010791650 642873025 /nfs/dbraw/zinc/87/30/25/642873025.db2.gz XBDRNMPMUYIFBG-LLVKDONJSA-N 1 0 246.314 -0.214 20 30 BBEDRO C#CC[N@H+]1CC[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001010791652 642872243 /nfs/dbraw/zinc/87/22/43/642872243.db2.gz XBDRNMPMUYIFBG-NSHDSACASA-N 1 0 246.314 -0.214 20 30 BBEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010826274 642874617 /nfs/dbraw/zinc/87/46/17/642874617.db2.gz ZLKYITRVPHKCFD-SECBINFHSA-N 1 0 235.291 -0.195 20 30 BBEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010826276 642876142 /nfs/dbraw/zinc/87/61/42/642876142.db2.gz ZLKYITRVPHKCFD-VIFPVBQESA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010833629 642874793 /nfs/dbraw/zinc/87/47/93/642874793.db2.gz XYUCBRKHJBVIJI-JTQLQIEISA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010833630 642874997 /nfs/dbraw/zinc/87/49/97/642874997.db2.gz XYUCBRKHJBVIJI-SNVBAGLBSA-N 1 0 247.302 -0.358 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010844484 642876243 /nfs/dbraw/zinc/87/62/43/642876243.db2.gz UTDSGOADRKPAEU-BDAKNGLRSA-N 1 0 239.275 -0.529 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010844485 642874932 /nfs/dbraw/zinc/87/49/32/642874932.db2.gz UTDSGOADRKPAEU-DTWKUNHWSA-N 1 0 239.275 -0.529 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010844486 642874450 /nfs/dbraw/zinc/87/44/50/642874450.db2.gz UTDSGOADRKPAEU-IUCAKERBSA-N 1 0 239.275 -0.529 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010844488 642875165 /nfs/dbraw/zinc/87/51/65/642875165.db2.gz UTDSGOADRKPAEU-RKDXNWHRSA-N 1 0 239.275 -0.529 20 30 BBEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010851467 642876320 /nfs/dbraw/zinc/87/63/20/642876320.db2.gz MIYKNHRDTYPBDP-SECBINFHSA-N 1 0 235.291 -0.195 20 30 BBEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010851469 642875571 /nfs/dbraw/zinc/87/55/71/642875571.db2.gz MIYKNHRDTYPBDP-VIFPVBQESA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010864298 642874254 /nfs/dbraw/zinc/87/42/54/642874254.db2.gz YCGZWBIBKTYEOY-JTQLQIEISA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010864300 642875441 /nfs/dbraw/zinc/87/54/41/642875441.db2.gz YCGZWBIBKTYEOY-SNVBAGLBSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010881585 642875827 /nfs/dbraw/zinc/87/58/27/642875827.db2.gz ZDZDJWIBRJCBHD-JTQLQIEISA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010881586 642876340 /nfs/dbraw/zinc/87/63/40/642876340.db2.gz ZDZDJWIBRJCBHD-SNVBAGLBSA-N 1 0 247.302 -0.358 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014427185 642889826 /nfs/dbraw/zinc/88/98/26/642889826.db2.gz IQRXYDVPIQIFDH-SECBINFHSA-N 1 0 236.279 -0.950 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014427191 642890012 /nfs/dbraw/zinc/89/00/12/642890012.db2.gz IQRXYDVPIQIFDH-VIFPVBQESA-N 1 0 236.279 -0.950 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014567821 642890528 /nfs/dbraw/zinc/89/05/28/642890528.db2.gz VLMSSUQCFJTRTG-LLVKDONJSA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014567823 642892666 /nfs/dbraw/zinc/89/26/66/642892666.db2.gz VLMSSUQCFJTRTG-NSHDSACASA-N 1 0 247.302 -0.508 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014571518 642890542 /nfs/dbraw/zinc/89/05/42/642890542.db2.gz IMTAFWJSHZAAOR-LLVKDONJSA-N 1 0 247.302 -0.508 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014571519 642892256 /nfs/dbraw/zinc/89/22/56/642892256.db2.gz IMTAFWJSHZAAOR-NSHDSACASA-N 1 0 247.302 -0.508 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014584913 642890597 /nfs/dbraw/zinc/89/05/97/642890597.db2.gz JEYTVTLZCUEOKR-JTQLQIEISA-N 1 0 235.291 -0.345 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014584936 642891684 /nfs/dbraw/zinc/89/16/84/642891684.db2.gz JEYTVTLZCUEOKR-SNVBAGLBSA-N 1 0 235.291 -0.345 20 30 BBEDRO C#CCN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015044661 642895719 /nfs/dbraw/zinc/89/57/19/642895719.db2.gz RCHGEFUYQUCPSR-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCN1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015044662 642896396 /nfs/dbraw/zinc/89/63/96/642896396.db2.gz RCHGEFUYQUCPSR-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCN1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015044663 642895178 /nfs/dbraw/zinc/89/51/78/642895178.db2.gz RCHGEFUYQUCPSR-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCN1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015044664 642895036 /nfs/dbraw/zinc/89/50/36/642895036.db2.gz RCHGEFUYQUCPSR-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001015065555 642896660 /nfs/dbraw/zinc/89/66/60/642896660.db2.gz FUYLMXPQUVTQLY-SECBINFHSA-N 1 0 233.275 -0.368 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001015065559 642895449 /nfs/dbraw/zinc/89/54/49/642895449.db2.gz FUYLMXPQUVTQLY-VIFPVBQESA-N 1 0 233.275 -0.368 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015479678 642901773 /nfs/dbraw/zinc/90/17/73/642901773.db2.gz MWIWZXHNKQTGLZ-JTQLQIEISA-N 1 0 247.302 -0.059 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015479679 642900264 /nfs/dbraw/zinc/90/02/64/642900264.db2.gz MWIWZXHNKQTGLZ-SNVBAGLBSA-N 1 0 247.302 -0.059 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015506458 641716218 /nfs/dbraw/zinc/71/62/18/641716218.db2.gz YEDHMBHOSGGKIZ-NXEZZACHSA-N 1 0 237.303 -0.501 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015506464 641716784 /nfs/dbraw/zinc/71/67/84/641716784.db2.gz YEDHMBHOSGGKIZ-UWVGGRQHSA-N 1 0 237.303 -0.501 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015506471 641715871 /nfs/dbraw/zinc/71/58/71/641715871.db2.gz YEDHMBHOSGGKIZ-VHSXEESVSA-N 1 0 237.303 -0.501 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015506474 641716345 /nfs/dbraw/zinc/71/63/45/641716345.db2.gz YEDHMBHOSGGKIZ-ZJUUUORDSA-N 1 0 237.303 -0.501 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015511809 641722733 /nfs/dbraw/zinc/72/27/33/641722733.db2.gz RAQAUXAKZMTAIG-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015511810 641722616 /nfs/dbraw/zinc/72/26/16/641722616.db2.gz RAQAUXAKZMTAIG-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015511811 641721962 /nfs/dbraw/zinc/72/19/62/641721962.db2.gz RAQAUXAKZMTAIG-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015511812 641722473 /nfs/dbraw/zinc/72/24/73/641722473.db2.gz RAQAUXAKZMTAIG-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015516743 642901408 /nfs/dbraw/zinc/90/14/08/642901408.db2.gz CGJNARFRYAHWPJ-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015516750 642901129 /nfs/dbraw/zinc/90/11/29/642901129.db2.gz CGJNARFRYAHWPJ-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015516756 642904059 /nfs/dbraw/zinc/90/40/59/642904059.db2.gz CGJNARFRYAHWPJ-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015516760 642902297 /nfs/dbraw/zinc/90/22/97/642902297.db2.gz CGJNARFRYAHWPJ-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015555446 641754451 /nfs/dbraw/zinc/75/44/51/641754451.db2.gz VKVXEJZJMUPKEK-SECBINFHSA-N 1 0 248.290 -0.963 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015555448 641754390 /nfs/dbraw/zinc/75/43/90/641754390.db2.gz VKVXEJZJMUPKEK-VIFPVBQESA-N 1 0 248.290 -0.963 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015626415 642911144 /nfs/dbraw/zinc/91/11/44/642911144.db2.gz MWZGEXOARIWIMM-SECBINFHSA-N 1 0 248.286 -0.240 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015626416 642912360 /nfs/dbraw/zinc/91/23/60/642912360.db2.gz MWZGEXOARIWIMM-VIFPVBQESA-N 1 0 248.286 -0.240 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015634731 642914955 /nfs/dbraw/zinc/91/49/55/642914955.db2.gz NKNXQKUSNDMETP-BDAKNGLRSA-N 1 0 238.291 -0.956 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015634732 642913871 /nfs/dbraw/zinc/91/38/71/642913871.db2.gz NKNXQKUSNDMETP-DTWKUNHWSA-N 1 0 238.291 -0.956 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015634734 642911398 /nfs/dbraw/zinc/91/13/98/642911398.db2.gz NKNXQKUSNDMETP-IUCAKERBSA-N 1 0 238.291 -0.956 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015634735 642913570 /nfs/dbraw/zinc/91/35/70/642913570.db2.gz NKNXQKUSNDMETP-RKDXNWHRSA-N 1 0 238.291 -0.956 20 30 BBEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015637197 642913018 /nfs/dbraw/zinc/91/30/18/642913018.db2.gz KPRXOHHHSXAUFG-MRVPVSSYSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015637199 642910462 /nfs/dbraw/zinc/91/04/62/642910462.db2.gz KPRXOHHHSXAUFG-QMMMGPOBSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015641145 642917334 /nfs/dbraw/zinc/91/73/34/642917334.db2.gz ZFECXDWEPWQDHG-SECBINFHSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015641146 642918699 /nfs/dbraw/zinc/91/86/99/642918699.db2.gz ZFECXDWEPWQDHG-VIFPVBQESA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001015641412 642911555 /nfs/dbraw/zinc/91/15/55/642911555.db2.gz JDEQQQCIGGFYGJ-MRVPVSSYSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015641413 642913670 /nfs/dbraw/zinc/91/36/70/642913670.db2.gz JDEQQQCIGGFYGJ-QMMMGPOBSA-N 1 0 211.265 -0.762 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015714714 642922754 /nfs/dbraw/zinc/92/27/54/642922754.db2.gz ILCHYWDIUYYLRM-AXFHLTTASA-N 1 0 249.314 -0.678 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015714715 642924430 /nfs/dbraw/zinc/92/44/30/642924430.db2.gz ILCHYWDIUYYLRM-MXWKQRLJSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015715107 642925298 /nfs/dbraw/zinc/92/52/98/642925298.db2.gz QKXOUHSACNEBKJ-AXFHLTTASA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015715108 642923877 /nfs/dbraw/zinc/92/38/77/642923877.db2.gz QKXOUHSACNEBKJ-MXWKQRLJSA-N 1 0 249.314 -0.678 20 30 BBEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015716696 642925873 /nfs/dbraw/zinc/92/58/73/642925873.db2.gz BINTYBCAYFRYCV-AEJSXWLSSA-N 1 0 237.303 -0.516 20 30 BBEDRO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015716697 642923646 /nfs/dbraw/zinc/92/36/46/642923646.db2.gz BINTYBCAYFRYCV-BBBLOLIVSA-N 1 0 237.303 -0.516 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015835481 642936399 /nfs/dbraw/zinc/93/63/99/642936399.db2.gz VPIORFKIJLLXMT-GHMZBOCLSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015835482 642938040 /nfs/dbraw/zinc/93/80/40/642938040.db2.gz VPIORFKIJLLXMT-MNOVXSKESA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015835483 642935618 /nfs/dbraw/zinc/93/56/18/642935618.db2.gz VPIORFKIJLLXMT-QWRGUYRKSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015835484 642935258 /nfs/dbraw/zinc/93/52/58/642935258.db2.gz VPIORFKIJLLXMT-WDEREUQCSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843399 642937657 /nfs/dbraw/zinc/93/76/57/642937657.db2.gz ZFVGDEZKMNLDGT-JTQLQIEISA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843400 642935852 /nfs/dbraw/zinc/93/58/52/642935852.db2.gz ZFVGDEZKMNLDGT-SNVBAGLBSA-N 1 0 247.302 -0.358 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001015871452 642937519 /nfs/dbraw/zinc/93/75/19/642937519.db2.gz NGHYZZIVKWOSFO-SECBINFHSA-N 1 0 233.275 -0.368 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001015871454 642934846 /nfs/dbraw/zinc/93/48/46/642934846.db2.gz NGHYZZIVKWOSFO-VIFPVBQESA-N 1 0 233.275 -0.368 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001015872025 642933544 /nfs/dbraw/zinc/93/35/44/642933544.db2.gz YLWFCUKRTAEQQI-MRVPVSSYSA-N 1 0 221.264 -0.205 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001015872026 642935246 /nfs/dbraw/zinc/93/52/46/642935246.db2.gz YLWFCUKRTAEQQI-QMMMGPOBSA-N 1 0 221.264 -0.205 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001015876721 643191385 /nfs/dbraw/zinc/19/13/85/643191385.db2.gz NVPHSPDJEPSSSD-SECBINFHSA-N 1 0 234.259 -0.103 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015876722 643191732 /nfs/dbraw/zinc/19/17/32/643191732.db2.gz NVPHSPDJEPSSSD-VIFPVBQESA-N 1 0 234.259 -0.103 20 30 BBEDRO C#CC[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015902220 642942636 /nfs/dbraw/zinc/94/26/36/642942636.db2.gz HMBNUWBYVDLGST-JTQLQIEISA-N 1 0 232.287 -0.224 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015902222 642941551 /nfs/dbraw/zinc/94/15/51/642941551.db2.gz HMBNUWBYVDLGST-SNVBAGLBSA-N 1 0 232.287 -0.224 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967039 642943590 /nfs/dbraw/zinc/94/35/90/642943590.db2.gz DCDYGZBVIGEZRP-JTQLQIEISA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967042 642940886 /nfs/dbraw/zinc/94/08/86/642940886.db2.gz DCDYGZBVIGEZRP-SNVBAGLBSA-N 1 0 247.302 -0.439 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015968098 642942242 /nfs/dbraw/zinc/94/22/42/642942242.db2.gz QLEKUWBBBOZIHW-SECBINFHSA-N 1 0 235.291 -0.276 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015968099 642943790 /nfs/dbraw/zinc/94/37/90/642943790.db2.gz QLEKUWBBBOZIHW-VIFPVBQESA-N 1 0 235.291 -0.276 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001015998346 642942471 /nfs/dbraw/zinc/94/24/71/642942471.db2.gz ORFBKDIYPJVWCD-LLVKDONJSA-N 1 0 246.314 -0.214 20 30 BBEDRO C#CC[N@H+]1CC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001015998347 642940100 /nfs/dbraw/zinc/94/01/00/642940100.db2.gz ORFBKDIYPJVWCD-NSHDSACASA-N 1 0 246.314 -0.214 20 30 BBEDRO N#CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016001583 642944289 /nfs/dbraw/zinc/94/42/89/642944289.db2.gz MCRDIIDSJAXVPC-LLVKDONJSA-N 1 0 248.330 -0.204 20 30 BBEDRO N#CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016001584 642944354 /nfs/dbraw/zinc/94/43/54/642944354.db2.gz MCRDIIDSJAXVPC-NSHDSACASA-N 1 0 248.330 -0.204 20 30 BBEDRO C#CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003022 642947256 /nfs/dbraw/zinc/94/72/56/642947256.db2.gz ZMNCKYUOBHOFKY-GFCCVEGCSA-N 1 0 247.342 -0.094 20 30 BBEDRO C#CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003023 642950055 /nfs/dbraw/zinc/95/00/55/642950055.db2.gz ZMNCKYUOBHOFKY-LBPRGKRZSA-N 1 0 247.342 -0.094 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016026241 642949240 /nfs/dbraw/zinc/94/92/40/642949240.db2.gz DSBZVCGHZQBDJX-UWVGGRQHSA-N 1 0 237.303 -0.359 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016026245 642949040 /nfs/dbraw/zinc/94/90/40/642949040.db2.gz DSBZVCGHZQBDJX-ZJUUUORDSA-N 1 0 237.303 -0.359 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016032423 642949982 /nfs/dbraw/zinc/94/99/82/642949982.db2.gz YVZJTXAVKDWCDJ-MNOVXSKESA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016032425 642947702 /nfs/dbraw/zinc/94/77/02/642947702.db2.gz YVZJTXAVKDWCDJ-QWRGUYRKSA-N 1 0 249.314 -0.521 20 30 BBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016184830 643770353 /nfs/dbraw/zinc/77/03/53/643770353.db2.gz MEBJEKXXALRLGS-JTQLQIEISA-N 1 0 235.291 -0.345 20 30 BBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016184833 643769839 /nfs/dbraw/zinc/76/98/39/643769839.db2.gz MEBJEKXXALRLGS-SNVBAGLBSA-N 1 0 235.291 -0.345 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016192276 642948784 /nfs/dbraw/zinc/94/87/84/642948784.db2.gz IDAMTLNYGDHJCO-LLVKDONJSA-N 1 0 247.302 -0.508 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016192277 642946092 /nfs/dbraw/zinc/94/60/92/642946092.db2.gz IDAMTLNYGDHJCO-NSHDSACASA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016192931 642947976 /nfs/dbraw/zinc/94/79/76/642947976.db2.gz QFSXWOUYENZTGM-LLVKDONJSA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016192932 642951652 /nfs/dbraw/zinc/95/16/52/642951652.db2.gz QFSXWOUYENZTGM-NSHDSACASA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CCN1CC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001016250003 642950685 /nfs/dbraw/zinc/95/06/85/642950685.db2.gz LSHKZBOXVSSZBP-JTQLQIEISA-N 1 0 232.287 -0.143 20 30 BBEDRO C#CCN1CC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001016250004 642951529 /nfs/dbraw/zinc/95/15/29/642951529.db2.gz LSHKZBOXVSSZBP-SNVBAGLBSA-N 1 0 232.287 -0.143 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CC#N)C2)C1 ZINC001016257469 642954921 /nfs/dbraw/zinc/95/49/21/642954921.db2.gz XGYUCZGRWMFIME-GHMZBOCLSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CC#N)C2)C1 ZINC001016257473 642953909 /nfs/dbraw/zinc/95/39/09/642953909.db2.gz XGYUCZGRWMFIME-MNOVXSKESA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC#N)C2)C1 ZINC001016257475 642950772 /nfs/dbraw/zinc/95/07/72/642950772.db2.gz XGYUCZGRWMFIME-QWRGUYRKSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CC#N)C2)C1 ZINC001016257477 642955792 /nfs/dbraw/zinc/95/57/92/642955792.db2.gz XGYUCZGRWMFIME-WDEREUQCSA-N 1 0 236.319 -0.348 20 30 BBEDRO C#CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016257753 642952926 /nfs/dbraw/zinc/95/29/26/642952926.db2.gz YBGKYIWLSQZDGD-NEPJUHHUSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016257757 642950713 /nfs/dbraw/zinc/95/07/13/642950713.db2.gz YBGKYIWLSQZDGD-NWDGAFQWSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016257759 642953016 /nfs/dbraw/zinc/95/30/16/642953016.db2.gz YBGKYIWLSQZDGD-RYUDHWBXSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016257763 642953411 /nfs/dbraw/zinc/95/34/11/642953411.db2.gz YBGKYIWLSQZDGD-VXGBXAGGSA-N 1 0 235.331 -0.238 20 30 BBEDRO Cc1nccn1CC(=O)N[C@@H]1CCN(CC#N)C1 ZINC001016259594 642951724 /nfs/dbraw/zinc/95/17/24/642951724.db2.gz IMXSOQPZPNBYOU-LLVKDONJSA-N 1 0 247.302 -0.094 20 30 BBEDRO Cc1nccn1CC(=O)N[C@H]1CCN(CC#N)C1 ZINC001016259595 642956040 /nfs/dbraw/zinc/95/60/40/642956040.db2.gz IMXSOQPZPNBYOU-NSHDSACASA-N 1 0 247.302 -0.094 20 30 BBEDRO C#CCN1CC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001016392354 642950661 /nfs/dbraw/zinc/95/06/61/642950661.db2.gz CVPRUNONEUZJSF-LLVKDONJSA-N 1 0 232.287 -0.293 20 30 BBEDRO C#CCN1CC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001016392357 642951833 /nfs/dbraw/zinc/95/18/33/642951833.db2.gz CVPRUNONEUZJSF-NSHDSACASA-N 1 0 232.287 -0.293 20 30 BBEDRO C#CC[NH+]1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016798464 642961718 /nfs/dbraw/zinc/96/17/18/642961718.db2.gz BDUSZCVVBRMXJP-SECBINFHSA-N 1 0 235.287 -0.924 20 30 BBEDRO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016798465 642963678 /nfs/dbraw/zinc/96/36/78/642963678.db2.gz BDUSZCVVBRMXJP-VIFPVBQESA-N 1 0 235.287 -0.924 20 30 BBEDRO C=CC[NH+]1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016801612 642963784 /nfs/dbraw/zinc/96/37/84/642963784.db2.gz ZSSSYLYHTOACPE-SECBINFHSA-N 1 0 237.303 -0.372 20 30 BBEDRO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016801613 642961455 /nfs/dbraw/zinc/96/14/55/642961455.db2.gz ZSSSYLYHTOACPE-VIFPVBQESA-N 1 0 237.303 -0.372 20 30 BBEDRO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016802176 642962162 /nfs/dbraw/zinc/96/21/62/642962162.db2.gz CSZYGFPJFPQIPR-JTQLQIEISA-N 1 0 249.314 -0.534 20 30 BBEDRO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016802179 642962853 /nfs/dbraw/zinc/96/28/53/642962853.db2.gz CSZYGFPJFPQIPR-SNVBAGLBSA-N 1 0 249.314 -0.534 20 30 BBEDRO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016805024 642962021 /nfs/dbraw/zinc/96/20/21/642962021.db2.gz UUZNXDUQXJLXLJ-JTQLQIEISA-N 1 0 249.314 -0.534 20 30 BBEDRO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016805026 642962210 /nfs/dbraw/zinc/96/22/10/642962210.db2.gz UUZNXDUQXJLXLJ-SNVBAGLBSA-N 1 0 249.314 -0.534 20 30 BBEDRO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017432993 642658953 /nfs/dbraw/zinc/65/89/53/642658953.db2.gz XZRJRMHCTJBIEO-PHIMTYICSA-N 1 0 249.314 -0.440 20 30 BBEDRO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001017878782 642983302 /nfs/dbraw/zinc/98/33/02/642983302.db2.gz NEBRCUQBZCYWNU-AOOOYVTPSA-N 1 0 237.303 -0.277 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001018435239 642989417 /nfs/dbraw/zinc/98/94/17/642989417.db2.gz SVDZYFYTFILWEV-JTQLQIEISA-N 1 0 230.271 -0.086 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001018454567 642992937 /nfs/dbraw/zinc/99/29/37/642992937.db2.gz IFXDCIGNPUBCAH-JTQLQIEISA-N 1 0 236.271 -0.302 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001018458442 642994978 /nfs/dbraw/zinc/99/49/78/642994978.db2.gz PAZSHCJFNPHQCM-VIFPVBQESA-N 1 0 246.270 -0.381 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001018459454 642992912 /nfs/dbraw/zinc/99/29/12/642992912.db2.gz IUIFKNXNIOBHPO-LBPRGKRZSA-N 1 0 245.282 -0.243 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001018469710 642992891 /nfs/dbraw/zinc/99/28/91/642992891.db2.gz YNFKCVRTBGTZSU-QWRGUYRKSA-N 1 0 222.288 -0.011 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001018469714 642993413 /nfs/dbraw/zinc/99/34/13/642993413.db2.gz YNFKCVRTBGTZSU-WDEREUQCSA-N 1 0 222.288 -0.011 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001018479835 642994578 /nfs/dbraw/zinc/99/45/78/642994578.db2.gz LMUKFULALYSQJF-NSHDSACASA-N 1 0 232.287 -0.143 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001018482203 642993064 /nfs/dbraw/zinc/99/30/64/642993064.db2.gz PKOFHOPXTNYFNU-VIFPVBQESA-N 1 0 236.279 -0.950 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001018486162 642994732 /nfs/dbraw/zinc/99/47/32/642994732.db2.gz WMBZAUGGNKVUST-NSHDSACASA-N 1 0 249.314 -0.568 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001018505009 642998392 /nfs/dbraw/zinc/99/83/92/642998392.db2.gz ZHVLJKBSCSXSJX-NSHDSACASA-N 1 0 232.287 -0.293 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001018515042 642998152 /nfs/dbraw/zinc/99/81/52/642998152.db2.gz FVRLASPUGGHKPH-NSHDSACASA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001018545313 642995637 /nfs/dbraw/zinc/99/56/37/642995637.db2.gz YLCHFPHKPPBTMY-VIFPVBQESA-N 1 0 218.260 -0.153 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001018548296 642999237 /nfs/dbraw/zinc/99/92/37/642999237.db2.gz BGNPUDCHQYDZCJ-QWRGUYRKSA-N 1 0 238.287 -0.775 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001018548299 643001262 /nfs/dbraw/zinc/00/12/62/643001262.db2.gz BGNPUDCHQYDZCJ-WDEREUQCSA-N 1 0 238.287 -0.775 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001018550857 643001328 /nfs/dbraw/zinc/00/13/28/643001328.db2.gz GHMGDGJTNPMFIX-QWRGUYRKSA-N 1 0 240.303 -0.222 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001018550858 642999124 /nfs/dbraw/zinc/99/91/24/642999124.db2.gz GHMGDGJTNPMFIX-WDEREUQCSA-N 1 0 240.303 -0.222 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001018552472 642999155 /nfs/dbraw/zinc/99/91/55/642999155.db2.gz FUBWFDCXLAFIKW-QMMMGPOBSA-N 1 0 236.300 -0.025 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001018559150 643000036 /nfs/dbraw/zinc/00/00/36/643000036.db2.gz CJQVQWQHQWTGRB-JTQLQIEISA-N 1 0 218.260 -0.153 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnns2)C1 ZINC001018567457 643001710 /nfs/dbraw/zinc/00/17/10/643001710.db2.gz NUDSZGZVQUCPRT-QMMMGPOBSA-N 1 0 236.300 -0.025 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001018578213 642999314 /nfs/dbraw/zinc/99/93/14/642999314.db2.gz FMNIEAOUDAVCKT-UWVGGRQHSA-N 1 0 210.277 -0.155 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001018578214 642999279 /nfs/dbraw/zinc/99/92/79/642999279.db2.gz FMNIEAOUDAVCKT-ZJUUUORDSA-N 1 0 210.277 -0.155 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001018585535 643000370 /nfs/dbraw/zinc/00/03/70/643000370.db2.gz HISJMYJSGIEHBK-VIFPVBQESA-N 1 0 246.332 -0.593 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001018594144 643000281 /nfs/dbraw/zinc/00/02/81/643000281.db2.gz ZPMQBIIEURNPQH-MNOVXSKESA-N 1 0 222.288 -0.153 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001018594145 643001586 /nfs/dbraw/zinc/00/15/86/643001586.db2.gz ZPMQBIIEURNPQH-QWRGUYRKSA-N 1 0 222.288 -0.153 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001018603584 711683443 /nfs/dbraw/zinc/68/34/43/711683443.db2.gz XECRTZZRZOBUMP-JTQLQIEISA-N 1 0 232.287 -0.143 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001018606790 643003340 /nfs/dbraw/zinc/00/33/40/643003340.db2.gz AQHHYLBKSMNWSJ-LBPRGKRZSA-N 1 0 246.314 -0.214 20 30 BBEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001018618953 643002106 /nfs/dbraw/zinc/00/21/06/643002106.db2.gz STLQWUUSBHMDIV-BDAKNGLRSA-N 1 0 211.265 -0.671 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001018618955 643003398 /nfs/dbraw/zinc/00/33/98/643003398.db2.gz STLQWUUSBHMDIV-IUCAKERBSA-N 1 0 211.265 -0.671 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001018621382 643002577 /nfs/dbraw/zinc/00/25/77/643002577.db2.gz GQENKQROWSIBEH-VHSXEESVSA-N 1 0 235.287 -0.911 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001018622359 643002360 /nfs/dbraw/zinc/00/23/60/643002360.db2.gz PUGRUVFBXMSOLX-VHSXEESVSA-N 1 0 237.303 -0.359 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC#N)C1 ZINC001018628828 633105835 /nfs/dbraw/zinc/10/58/35/633105835.db2.gz RCJQFMWKCBXKRJ-QWRGUYRKSA-N 1 0 236.319 -0.205 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC#N)C1 ZINC001018628829 633106526 /nfs/dbraw/zinc/10/65/26/633106526.db2.gz RCJQFMWKCBXKRJ-WDEREUQCSA-N 1 0 236.319 -0.205 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001018636336 643003607 /nfs/dbraw/zinc/00/36/07/643003607.db2.gz UCIADCWVKPMMOL-UWVGGRQHSA-N 1 0 205.261 -0.030 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001018644055 643006240 /nfs/dbraw/zinc/00/62/40/643006240.db2.gz ZUJDSTKADHTLHZ-VIFPVBQESA-N 1 0 245.286 -0.504 20 30 BBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001018647219 643006340 /nfs/dbraw/zinc/00/63/40/643006340.db2.gz RRXAFDGYQUUGAV-VIFPVBQESA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001018648045 643005643 /nfs/dbraw/zinc/00/56/43/643005643.db2.gz BKLYYZJUMHKATP-QMMMGPOBSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001018648722 643005959 /nfs/dbraw/zinc/00/59/59/643005959.db2.gz KOUPUTVVRPBNAX-QMMMGPOBSA-N 1 0 245.710 -0.195 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001018658500 643006900 /nfs/dbraw/zinc/00/69/00/643006900.db2.gz GBHXGUIGPIVXNZ-NSHDSACASA-N 1 0 232.287 -0.224 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001018659090 643005514 /nfs/dbraw/zinc/00/55/14/643005514.db2.gz MCAXULAURJDJJF-JTQLQIEISA-N 1 0 247.302 -0.439 20 30 BBEDRO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]CCO)C2)c1 ZINC001018680468 643007314 /nfs/dbraw/zinc/00/73/14/643007314.db2.gz ZTDSKSSTANCMDW-JTQLQIEISA-N 1 0 248.286 -0.317 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001018685414 710667580 /nfs/dbraw/zinc/66/75/80/710667580.db2.gz RYKUSYLZUBQIGK-JTQLQIEISA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001018707784 710667982 /nfs/dbraw/zinc/66/79/82/710667982.db2.gz QYRHWPLPWDDONL-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001018707785 710667920 /nfs/dbraw/zinc/66/79/20/710667920.db2.gz QYRHWPLPWDDONL-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001018710371 710668023 /nfs/dbraw/zinc/66/80/23/710668023.db2.gz RAZCWPZXYBZGLN-JTQLQIEISA-N 1 0 232.287 -0.143 20 30 BBEDRO N#Cc1ccc(C(=O)N2CC[C@H]([NH2+]CCO)C2)[nH]1 ZINC001018724706 643008697 /nfs/dbraw/zinc/00/86/97/643008697.db2.gz ZTIQOUHEJINVFZ-JTQLQIEISA-N 1 0 248.286 -0.317 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001018744756 710669424 /nfs/dbraw/zinc/66/94/24/710669424.db2.gz CYOCBDNEAFGVOL-VIFPVBQESA-N 1 0 249.318 -0.008 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001018745192 710669343 /nfs/dbraw/zinc/66/93/43/710669343.db2.gz LOSRVALNHFTOMQ-VIFPVBQESA-N 1 0 247.302 -0.560 20 30 BBEDRO N#Cc1cc(C(=O)N2CC[C@H]([NH2+]CCO)C2)c[nH]1 ZINC001018748101 710668565 /nfs/dbraw/zinc/66/85/65/710668565.db2.gz RKEYWTBFGGDLSR-JTQLQIEISA-N 1 0 248.286 -0.317 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001018749573 710668854 /nfs/dbraw/zinc/66/88/54/710668854.db2.gz VAVGWMJHHITHHM-NSHDSACASA-N 1 0 230.271 -0.086 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001018769097 643011249 /nfs/dbraw/zinc/01/12/49/643011249.db2.gz GVHDSHGSZLTKBU-LBPRGKRZSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001018769347 643009527 /nfs/dbraw/zinc/00/95/27/643009527.db2.gz KUBFYCYNUNNANA-NSHDSACASA-N 1 0 247.302 -0.508 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC001018772054 643011275 /nfs/dbraw/zinc/01/12/75/643011275.db2.gz CRFYVLVZSKHRJZ-VIFPVBQESA-N 1 0 249.270 -0.584 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC001018775411 643010470 /nfs/dbraw/zinc/01/04/70/643010470.db2.gz CWEVWNUOZPRCEY-LBPRGKRZSA-N 1 0 244.298 -0.157 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ccnn2C)C1 ZINC001018777186 643011616 /nfs/dbraw/zinc/01/16/16/643011616.db2.gz HBZNUBBNTLKCRE-NSHDSACASA-N 1 0 246.314 -0.214 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001018785591 643009604 /nfs/dbraw/zinc/00/96/04/643009604.db2.gz DETNDQOGQLYXGO-JTQLQIEISA-N 1 0 224.304 -0.029 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001018790696 643010402 /nfs/dbraw/zinc/01/04/02/643010402.db2.gz JYZRMYOQPCBIQX-VIFPVBQESA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001018791656 643010791 /nfs/dbraw/zinc/01/07/91/643010791.db2.gz YJKZGEGXQGWIKB-VIFPVBQESA-N 1 0 233.275 -0.748 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001018792672 643010441 /nfs/dbraw/zinc/01/04/41/643010441.db2.gz LBHSFBHEQOVIBL-DTWKUNHWSA-N 1 0 239.275 -0.529 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001018792673 643011348 /nfs/dbraw/zinc/01/13/48/643011348.db2.gz LBHSFBHEQOVIBL-IUCAKERBSA-N 1 0 239.275 -0.529 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001018799212 643009895 /nfs/dbraw/zinc/00/98/95/643009895.db2.gz QUPPETBVHTWBNB-WDEREUQCSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2nnc(C)o2)C1 ZINC001018807049 643010328 /nfs/dbraw/zinc/01/03/28/643010328.db2.gz LAVPQFORISKNCG-JTQLQIEISA-N 1 0 248.286 -0.256 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001018807227 633131574 /nfs/dbraw/zinc/13/15/74/633131574.db2.gz OJUGRQIWPGXODS-VIFPVBQESA-N 1 0 233.275 -0.748 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001018807563 643014181 /nfs/dbraw/zinc/01/41/81/643014181.db2.gz WPHXTZLGVMBZCH-VIFPVBQESA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001018809377 643014097 /nfs/dbraw/zinc/01/40/97/643014097.db2.gz GKGNVLVVCLYIIX-VIFPVBQESA-N 1 0 233.275 -0.748 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001018809380 643013905 /nfs/dbraw/zinc/01/39/05/643013905.db2.gz GNKMSBUQDAZXME-VIFPVBQESA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC)n2)C1 ZINC001018809456 643012311 /nfs/dbraw/zinc/01/23/11/643012311.db2.gz KMJPYDJVLRTMPH-JTQLQIEISA-N 1 0 247.302 -0.265 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnnn2CC)C1 ZINC001018814615 643012794 /nfs/dbraw/zinc/01/27/94/643012794.db2.gz WBPINQLJJPSHHM-JTQLQIEISA-N 1 0 247.302 -0.265 20 30 BBEDRO O=C(C#CC1CC1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018818077 643014073 /nfs/dbraw/zinc/01/40/73/643014073.db2.gz ARDXZBFZVUYHGW-NSHDSACASA-N 1 0 222.288 -0.417 20 30 BBEDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1)C(N)=O ZINC001018819389 643014164 /nfs/dbraw/zinc/01/41/64/643014164.db2.gz SHJHTMQRNAGGIT-KOLCDFICSA-N 1 0 249.314 -0.536 20 30 BBEDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1)C(N)=O ZINC001018819390 643013973 /nfs/dbraw/zinc/01/39/73/643013973.db2.gz SHJHTMQRNAGGIT-ONGXEEELSA-N 1 0 249.314 -0.536 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001018819647 643014375 /nfs/dbraw/zinc/01/43/75/643014375.db2.gz ZCDUQISYZNZIJZ-VIFPVBQESA-N 1 0 218.260 -0.153 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001018825259 643013495 /nfs/dbraw/zinc/01/34/95/643013495.db2.gz NYHTWECJGGFNIA-JTQLQIEISA-N 1 0 247.302 -0.521 20 30 BBEDRO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001018826317 643014468 /nfs/dbraw/zinc/01/44/68/643014468.db2.gz CERYYTOCANMPLH-JQWIXIFHSA-N 1 0 236.315 -0.029 20 30 BBEDRO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001018826318 643012353 /nfs/dbraw/zinc/01/23/53/643012353.db2.gz CERYYTOCANMPLH-PWSUYJOCSA-N 1 0 236.315 -0.029 20 30 BBEDRO NC(=O)C[NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001018827197 643013989 /nfs/dbraw/zinc/01/39/89/643013989.db2.gz PRQHDAUQXILBSS-JTQLQIEISA-N 1 0 235.287 -0.924 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001018835084 643014500 /nfs/dbraw/zinc/01/45/00/643014500.db2.gz XREVNLFEILMJGZ-LBPRGKRZSA-N 1 0 246.314 -0.214 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001018848267 643012679 /nfs/dbraw/zinc/01/26/79/643012679.db2.gz AXSUUOILTXOZOW-VIFPVBQESA-N 1 0 236.279 -0.950 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001018875977 643012821 /nfs/dbraw/zinc/01/28/21/643012821.db2.gz MMMILWZPQOWHTQ-GVXVVHGQSA-N 1 0 234.299 -0.153 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001018914332 643016190 /nfs/dbraw/zinc/01/61/90/643016190.db2.gz FUFSNPJSQJDSIJ-JTQLQIEISA-N 1 0 235.291 -0.345 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001018914412 643016360 /nfs/dbraw/zinc/01/63/60/643016360.db2.gz JJLSWFWJSOJMAC-JTQLQIEISA-N 1 0 233.275 -0.898 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001018933142 643017243 /nfs/dbraw/zinc/01/72/43/643017243.db2.gz SLEAPWPJJHHCDE-MNOVXSKESA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001018933143 643016379 /nfs/dbraw/zinc/01/63/79/643016379.db2.gz SLEAPWPJJHHCDE-QWRGUYRKSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001018959327 643016539 /nfs/dbraw/zinc/01/65/39/643016539.db2.gz SLYYTVPMCVNPOE-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001018959328 643015995 /nfs/dbraw/zinc/01/59/95/643015995.db2.gz SLYYTVPMCVNPOE-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001018997068 643017190 /nfs/dbraw/zinc/01/71/90/643017190.db2.gz USIICSMPOHITTO-VIFPVBQESA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001018997095 643017308 /nfs/dbraw/zinc/01/73/08/643017308.db2.gz VTMPCLXFVDPXPQ-VIFPVBQESA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001018998971 643015716 /nfs/dbraw/zinc/01/57/16/643015716.db2.gz BBBHDHXTSQRMST-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001018998972 643016410 /nfs/dbraw/zinc/01/64/10/643016410.db2.gz BBBHDHXTSQRMST-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001019006275 643016824 /nfs/dbraw/zinc/01/68/24/643016824.db2.gz RSDVXIWFTFFZKH-VIFPVBQESA-N 1 0 248.286 -0.139 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001019007165 643016682 /nfs/dbraw/zinc/01/66/82/643016682.db2.gz FIFWHNSGLMTINP-JTQLQIEISA-N 1 0 246.270 -0.381 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001019011857 643017460 /nfs/dbraw/zinc/01/74/60/643017460.db2.gz FETTWRJRWDJTQP-WDEREUQCSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001019015686 643020622 /nfs/dbraw/zinc/02/06/22/643020622.db2.gz KJUSDYNSZIAAAA-VIFPVBQESA-N 1 0 246.270 -0.381 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001019074533 643021015 /nfs/dbraw/zinc/02/10/15/643021015.db2.gz YQSNBASABCFUMG-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001019074534 643020303 /nfs/dbraw/zinc/02/03/03/643020303.db2.gz YQSNBASABCFUMG-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001019078882 643019523 /nfs/dbraw/zinc/01/95/23/643019523.db2.gz WKNFFKDRSHFOTR-QMMMGPOBSA-N 1 0 219.248 -0.758 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001019078886 643020715 /nfs/dbraw/zinc/02/07/15/643020715.db2.gz WMIJJBCMVDGGMA-QMMMGPOBSA-N 1 0 221.264 -0.205 20 30 BBEDRO Cc1cncn1CC(=O)N1CC[C@H](NCC#N)C1 ZINC001019154083 643018019 /nfs/dbraw/zinc/01/80/19/643018019.db2.gz ZDUABUDYFLDYBY-NSHDSACASA-N 1 0 247.302 -0.094 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001019182789 643022453 /nfs/dbraw/zinc/02/24/53/643022453.db2.gz KMEDTYFQEFIBBB-GWCFXTLKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001019182790 643022168 /nfs/dbraw/zinc/02/21/68/643022168.db2.gz KMEDTYFQEFIBBB-GXFFZTMASA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2csnn2)C1 ZINC001019203341 643022605 /nfs/dbraw/zinc/02/26/05/643022605.db2.gz QNZMEXLQEABCQN-QMMMGPOBSA-N 1 0 236.300 -0.025 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001019224663 643021641 /nfs/dbraw/zinc/02/16/41/643021641.db2.gz BKZGOTNRUVCWJJ-VIFPVBQESA-N 1 0 233.275 -0.450 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001019234437 643023432 /nfs/dbraw/zinc/02/34/32/643023432.db2.gz IKYOMZUYFJMBMT-UWVGGRQHSA-N 1 0 237.303 -0.501 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001019234438 643021666 /nfs/dbraw/zinc/02/16/66/643021666.db2.gz IKYOMZUYFJMBMT-VHSXEESVSA-N 1 0 237.303 -0.501 20 30 BBEDRO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019237931 643023412 /nfs/dbraw/zinc/02/34/12/643023412.db2.gz DQERTQLCBDJAQT-VIFPVBQESA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001019239534 643021758 /nfs/dbraw/zinc/02/17/58/643021758.db2.gz VWJSINLYNXEUKU-VIFPVBQESA-N 1 0 248.286 -0.437 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001019247677 643026328 /nfs/dbraw/zinc/02/63/28/643026328.db2.gz BZPJPSRESXXJHE-QWRGUYRKSA-N 1 0 249.314 -0.569 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001019258082 643025231 /nfs/dbraw/zinc/02/52/31/643025231.db2.gz QXHUVXZCRLJFLS-QMMMGPOBSA-N 1 0 236.279 -0.800 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001019262178 643024995 /nfs/dbraw/zinc/02/49/95/643024995.db2.gz LWMCHYRXTWSWPB-QWRGUYRKSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001019262179 643026225 /nfs/dbraw/zinc/02/62/25/643026225.db2.gz LWMCHYRXTWSWPB-WDEREUQCSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001019262330 643022952 /nfs/dbraw/zinc/02/29/52/643022952.db2.gz PYHJKJCTIJBISA-NNYUYHANSA-N 1 0 234.299 -0.298 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001019276050 643028605 /nfs/dbraw/zinc/02/86/05/643028605.db2.gz BZPJPSRESXXJHE-WDEREUQCSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001019284359 643028699 /nfs/dbraw/zinc/02/86/99/643028699.db2.gz KMLAURSBXROTOV-CMPLNLGQSA-N 1 0 240.278 -0.061 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001019284368 643028253 /nfs/dbraw/zinc/02/82/53/643028253.db2.gz KMLAURSBXROTOV-JQWIXIFHSA-N 1 0 240.278 -0.061 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001019300467 643028333 /nfs/dbraw/zinc/02/83/33/643028333.db2.gz CBLORDSXTZNKQP-VIFPVBQESA-N 1 0 248.286 -0.240 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001019300851 643027474 /nfs/dbraw/zinc/02/74/74/643027474.db2.gz WUESFSWFWAAMRC-VIFPVBQESA-N 1 0 246.270 -0.793 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001019307657 643027996 /nfs/dbraw/zinc/02/79/96/643027996.db2.gz PDLWMPGHDRLHFE-DTWKUNHWSA-N 1 0 238.291 -0.956 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019307658 643028449 /nfs/dbraw/zinc/02/84/49/643028449.db2.gz PDLWMPGHDRLHFE-IUCAKERBSA-N 1 0 238.291 -0.956 20 30 BBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019312954 643028806 /nfs/dbraw/zinc/02/88/06/643028806.db2.gz BUEKRGQJWXAMKA-QMMMGPOBSA-N 1 0 211.265 -0.762 20 30 BBEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019313265 643028297 /nfs/dbraw/zinc/02/82/97/643028297.db2.gz LPOCGEFEWCTXJI-ZETCQYMHSA-N 1 0 231.683 -0.585 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001019316888 643028224 /nfs/dbraw/zinc/02/82/24/643028224.db2.gz DLNYUBSKXMMFQX-VIFPVBQESA-N 1 0 235.287 -0.924 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001019316973 643027319 /nfs/dbraw/zinc/02/73/19/643027319.db2.gz JDGBKZXJFVGCFE-VIFPVBQESA-N 1 0 237.303 -0.372 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001019330207 643028310 /nfs/dbraw/zinc/02/83/10/643028310.db2.gz RWPAZRWOXHLEDV-VIFPVBQESA-N 1 0 248.286 -0.437 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001019340938 643029889 /nfs/dbraw/zinc/02/98/89/643029889.db2.gz PGEZCNLMSBCFHN-GWCFXTLKSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001019346213 643030084 /nfs/dbraw/zinc/03/00/84/643030084.db2.gz ZAMCYOJWCZSZMB-QMMMGPOBSA-N 1 0 236.250 -0.014 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001019375579 643030344 /nfs/dbraw/zinc/03/03/44/643030344.db2.gz MTPYJKNCXGWXLO-GWCFXTLKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001019375580 643029855 /nfs/dbraw/zinc/02/98/55/643029855.db2.gz MTPYJKNCXGWXLO-GXFFZTMASA-N 1 0 249.314 -0.664 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001019388314 643030335 /nfs/dbraw/zinc/03/03/35/643030335.db2.gz USSKQBGVDXBFKU-AEJSXWLSSA-N 1 0 237.303 -0.516 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001019404199 643032147 /nfs/dbraw/zinc/03/21/47/643032147.db2.gz AHTBDYVXSUHFSA-NSHDSACASA-N 1 0 247.302 -0.439 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001019427006 643032847 /nfs/dbraw/zinc/03/28/47/643032847.db2.gz ZPFHCARTVFWWPX-NSHDSACASA-N 1 0 230.271 -0.086 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001019437403 643032937 /nfs/dbraw/zinc/03/29/37/643032937.db2.gz MXDFIJNHWDECJA-JTQLQIEISA-N 1 0 232.287 -0.224 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001019503962 643036544 /nfs/dbraw/zinc/03/65/44/643036544.db2.gz CFEGEGDDKSKVPW-MNOVXSKESA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001019503963 643035220 /nfs/dbraw/zinc/03/52/20/643035220.db2.gz CFEGEGDDKSKVPW-QWRGUYRKSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001019511184 643035914 /nfs/dbraw/zinc/03/59/14/643035914.db2.gz AIFQJYOCOJHHQS-VIFPVBQESA-N 1 0 233.275 -0.748 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001019511357 643037108 /nfs/dbraw/zinc/03/71/08/643037108.db2.gz JYAQXWDNMDAZHE-VIFPVBQESA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001019536154 643034883 /nfs/dbraw/zinc/03/48/83/643034883.db2.gz AEAVVSAHPAPJOJ-JTQLQIEISA-N 1 0 230.271 -0.086 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001019538132 643035654 /nfs/dbraw/zinc/03/56/54/643035654.db2.gz OTZIVQJGWPEXLP-QMMMGPOBSA-N 1 0 221.264 -0.205 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001019538294 643035390 /nfs/dbraw/zinc/03/53/90/643035390.db2.gz WPBUUJCQCPFYEH-QMMMGPOBSA-N 1 0 219.248 -0.758 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnon2)C1 ZINC001019543551 643035751 /nfs/dbraw/zinc/03/57/51/643035751.db2.gz NKPWXJISVJZSKA-QMMMGPOBSA-N 1 0 220.232 -0.493 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001019546440 643037425 /nfs/dbraw/zinc/03/74/25/643037425.db2.gz MGBJTIPFHDJADF-JTQLQIEISA-N 1 0 230.271 -0.086 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001019547738 643036185 /nfs/dbraw/zinc/03/61/85/643036185.db2.gz UPOMKCSPIRYKOY-JTQLQIEISA-N 1 0 230.271 -0.086 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001019564157 633732787 /nfs/dbraw/zinc/73/27/87/633732787.db2.gz AAMKVWFWIKSQBR-JTQLQIEISA-N 1 0 232.287 -0.224 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(CC)nn2)C1 ZINC001019579544 643038979 /nfs/dbraw/zinc/03/89/79/643038979.db2.gz UVBHWOSQSCEERK-JTQLQIEISA-N 1 0 247.302 -0.265 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2nonc2C)C1 ZINC001019589189 643038216 /nfs/dbraw/zinc/03/82/16/643038216.db2.gz HSHPCILDFWMPEH-JTQLQIEISA-N 1 0 248.286 -0.256 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001019628669 643039358 /nfs/dbraw/zinc/03/93/58/643039358.db2.gz LWVNJFMDVFOMPN-VIFPVBQESA-N 1 0 233.275 -0.829 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001019628727 643037952 /nfs/dbraw/zinc/03/79/52/643037952.db2.gz OQLRIRXBIONHSE-VIFPVBQESA-N 1 0 235.291 -0.276 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001019655875 643038542 /nfs/dbraw/zinc/03/85/42/643038542.db2.gz ZSMPVDHTMWAPRU-NSHDSACASA-N 1 0 246.314 -0.214 20 30 BBEDRO N#CCN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019659501 643038716 /nfs/dbraw/zinc/03/87/16/643038716.db2.gz DCPVXRAVCRZGLU-NSHDSACASA-N 1 0 248.330 -0.204 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001019678426 643041433 /nfs/dbraw/zinc/04/14/33/643041433.db2.gz GQENKQROWSIBEH-UWVGGRQHSA-N 1 0 235.287 -0.911 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001019678622 643041455 /nfs/dbraw/zinc/04/14/55/643041455.db2.gz PUGRUVFBXMSOLX-UWVGGRQHSA-N 1 0 237.303 -0.359 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC#N)C2)C1 ZINC001019771424 633788865 /nfs/dbraw/zinc/78/88/65/633788865.db2.gz NFXUGPZYUMDQJG-MNOVXSKESA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC#N)C2)C1 ZINC001019771425 633788140 /nfs/dbraw/zinc/78/81/40/633788140.db2.gz NFXUGPZYUMDQJG-QWRGUYRKSA-N 1 0 236.319 -0.348 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001019772458 633789477 /nfs/dbraw/zinc/78/94/77/633789477.db2.gz GHLSYSNAWWXXGU-JTQLQIEISA-N 1 0 232.287 -0.143 20 30 BBEDRO N#CCN[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019774757 633791955 /nfs/dbraw/zinc/79/19/55/633791955.db2.gz HAQKBWVCGLODCZ-NSHDSACASA-N 1 0 236.319 -0.204 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001019869251 643042198 /nfs/dbraw/zinc/04/21/98/643042198.db2.gz WRDJAUGFVYHWBD-NSHDSACASA-N 1 0 232.287 -0.293 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nonc2C)C1 ZINC001019876232 643044333 /nfs/dbraw/zinc/04/43/33/643044333.db2.gz ZDPJYLSAWWATCV-VIFPVBQESA-N 1 0 234.259 -0.185 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC001019948500 633802662 /nfs/dbraw/zinc/80/26/62/633802662.db2.gz MYMYVOGTQZRPNS-MGCOHNPYSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2=COCCO2)C1 ZINC001019964017 633803343 /nfs/dbraw/zinc/80/33/43/633803343.db2.gz VHSOBKXADLDBPB-MGCOHNPYSA-N 1 0 236.271 -0.255 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001019965873 643047595 /nfs/dbraw/zinc/04/75/95/643047595.db2.gz IJCAQCDELBEGJO-HAQNSBGRSA-N 1 0 245.282 -0.196 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001019968826 643049569 /nfs/dbraw/zinc/04/95/69/643049569.db2.gz FNSWWNDLOMXLIN-KYZUINATSA-N 1 0 246.270 -0.334 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001019976139 633801506 /nfs/dbraw/zinc/80/15/06/633801506.db2.gz YMFGVSMAFUYCGE-KYZUINATSA-N 1 0 236.279 -0.904 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001019979401 643050643 /nfs/dbraw/zinc/05/06/43/643050643.db2.gz MFVKWEXDMXFZNL-XYPYZODXSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001019980242 643051001 /nfs/dbraw/zinc/05/10/01/643051001.db2.gz LCTUODFJXPYDPG-XYPYZODXSA-N 1 0 232.287 -0.096 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001019988122 643050246 /nfs/dbraw/zinc/05/02/46/643050246.db2.gz XEYKGTAOWZNFQK-XYPYZODXSA-N 1 0 232.287 -0.247 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001019996421 710673854 /nfs/dbraw/zinc/67/38/54/710673854.db2.gz DHZMYBJHMPMLAO-DCAQKATOSA-N 1 0 240.303 -0.175 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001019996422 710673511 /nfs/dbraw/zinc/67/35/11/710673511.db2.gz DHZMYBJHMPMLAO-GMTAPVOTSA-N 1 0 240.303 -0.175 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001019996434 710673637 /nfs/dbraw/zinc/67/36/37/710673637.db2.gz DPKFQXSIKYCZMV-DCAQKATOSA-N 1 0 238.287 -0.728 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001019996435 710673992 /nfs/dbraw/zinc/67/39/92/710673992.db2.gz DPKFQXSIKYCZMV-GMTAPVOTSA-N 1 0 238.287 -0.728 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001019999672 633804366 /nfs/dbraw/zinc/80/43/66/633804366.db2.gz ZKQBBEKVPSDSKO-KYZUINATSA-N 1 0 218.260 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001020004354 710673981 /nfs/dbraw/zinc/67/39/81/710673981.db2.gz FHHWSVTYMXUKGW-MGCOHNPYSA-N 1 0 218.260 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001020015951 633806906 /nfs/dbraw/zinc/80/69/06/633806906.db2.gz NDMSJAOJTLXSLS-DCAQKATOSA-N 1 0 222.288 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001020015952 633807416 /nfs/dbraw/zinc/80/74/16/633807416.db2.gz NDMSJAOJTLXSLS-GMTAPVOTSA-N 1 0 222.288 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001020017130 633805929 /nfs/dbraw/zinc/80/59/29/633805929.db2.gz PDEQAZREXZTZDN-HAQNSBGRSA-N 1 0 246.314 -0.167 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnn2C)C1 ZINC001020019251 643053453 /nfs/dbraw/zinc/05/34/53/643053453.db2.gz WWEDEGKCSYETAH-MGCOHNPYSA-N 1 0 232.287 -0.096 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001020025472 633806298 /nfs/dbraw/zinc/80/62/98/633806298.db2.gz QLUBQRQGHXNBHF-DCAQKATOSA-N 1 0 236.319 -0.159 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001020025473 633806800 /nfs/dbraw/zinc/80/68/00/633806800.db2.gz QLUBQRQGHXNBHF-GMTAPVOTSA-N 1 0 236.319 -0.159 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001020027926 643052775 /nfs/dbraw/zinc/05/27/75/643052775.db2.gz GLSZFMNXAIEVMV-OPRDCNLKSA-N 1 0 235.287 -0.865 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001020028132 643052311 /nfs/dbraw/zinc/05/23/11/643052311.db2.gz POTLGXPVKOGAAJ-OPRDCNLKSA-N 1 0 237.303 -0.312 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2nccnc2N)C1 ZINC001020037448 643052551 /nfs/dbraw/zinc/05/25/51/643052551.db2.gz XRIOBERUKSGNED-KYZUINATSA-N 1 0 245.286 -0.458 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001020039255 643051987 /nfs/dbraw/zinc/05/19/87/643051987.db2.gz SGMPHURXNNQDAK-XYPYZODXSA-N 1 0 232.287 -0.178 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001020044143 643055239 /nfs/dbraw/zinc/05/52/39/643055239.db2.gz YACWIYYSJSWLJA-MGCOHNPYSA-N 1 0 247.302 -0.393 20 30 BBEDRO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)c1 ZINC001020056843 643055152 /nfs/dbraw/zinc/05/51/52/643055152.db2.gz TVFKAJZNDSOPFW-MGCOHNPYSA-N 1 0 248.286 -0.271 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001020060937 643053745 /nfs/dbraw/zinc/05/37/45/643053745.db2.gz MNVMFHFNEYNDFC-DCAQKATOSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001020060938 643055072 /nfs/dbraw/zinc/05/50/72/643055072.db2.gz MNVMFHFNEYNDFC-GMTAPVOTSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001020070366 643056687 /nfs/dbraw/zinc/05/66/87/643056687.db2.gz VLJBRTGABSRJEC-MGCOHNPYSA-N 1 0 232.287 -0.096 20 30 BBEDRO N#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)[nH]1 ZINC001020079725 643055862 /nfs/dbraw/zinc/05/58/62/643055862.db2.gz FJOMVDUVMJWKER-MGCOHNPYSA-N 1 0 248.286 -0.271 20 30 BBEDRO N#Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)c[nH]1 ZINC001020091259 633808095 /nfs/dbraw/zinc/80/80/95/633808095.db2.gz LUBVRHKWOXZAQP-MGCOHNPYSA-N 1 0 248.286 -0.271 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC001020093887 643056271 /nfs/dbraw/zinc/05/62/71/643056271.db2.gz OIQNDENHIHCZAK-XYPYZODXSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001020103386 643059384 /nfs/dbraw/zinc/05/93/84/643059384.db2.gz NRXUGCLRKWUZOY-HAQNSBGRSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001020107157 643058987 /nfs/dbraw/zinc/05/89/87/643058987.db2.gz MMJRQWHECJNWBR-KYZUINATSA-N 1 0 249.270 -0.538 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cncnc2)C1 ZINC001020110148 643058129 /nfs/dbraw/zinc/05/81/29/643058129.db2.gz GVUKLUUWBSNSHZ-HAQNSBGRSA-N 1 0 244.298 -0.111 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001020110535 643058835 /nfs/dbraw/zinc/05/88/35/643058835.db2.gz YANQRQYVRVVSEJ-XYPYZODXSA-N 1 0 246.314 -0.167 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnnn2C)C1 ZINC001020118404 643057864 /nfs/dbraw/zinc/05/78/64/643057864.db2.gz PGGQMYYWHCAAPM-KYZUINATSA-N 1 0 235.291 -0.149 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnnn2C)C1 ZINC001020118590 643057872 /nfs/dbraw/zinc/05/78/72/643057872.db2.gz YLDGRMLCEKKYBY-KYZUINATSA-N 1 0 233.275 -0.701 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001020120589 643057765 /nfs/dbraw/zinc/05/77/65/643057765.db2.gz NWCZLMNWSQAXSI-CIUDSAMLSA-N 1 0 239.275 -0.482 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001020120590 643057942 /nfs/dbraw/zinc/05/79/42/643057942.db2.gz NWCZLMNWSQAXSI-IWSPIJDZSA-N 1 0 239.275 -0.482 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnnn2CC)C1 ZINC001020123194 643058724 /nfs/dbraw/zinc/05/87/24/643058724.db2.gz JDBLYNSHSWUABU-MGCOHNPYSA-N 1 0 247.302 -0.218 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001020125274 643059286 /nfs/dbraw/zinc/05/92/86/643059286.db2.gz JJGRMAKTTYKBIH-KYZUINATSA-N 1 0 235.291 -0.149 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001020125320 643057950 /nfs/dbraw/zinc/05/79/50/643057950.db2.gz LLIKUBFICNJZQT-KYZUINATSA-N 1 0 233.275 -0.701 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001020127559 643061357 /nfs/dbraw/zinc/06/13/57/643061357.db2.gz OXIUSUVDITUGCQ-KYZUINATSA-N 1 0 233.275 -0.701 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001020127585 643061331 /nfs/dbraw/zinc/06/13/31/643061331.db2.gz PZUBBDLNWWXUDA-KYZUINATSA-N 1 0 235.291 -0.149 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001020128312 643060908 /nfs/dbraw/zinc/06/09/08/643060908.db2.gz PDBOVCMBSPUCQC-MGCOHNPYSA-N 1 0 248.286 -0.209 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC)n2)C1 ZINC001020128859 643061592 /nfs/dbraw/zinc/06/15/92/643061592.db2.gz ILEIZZUMPDHVOI-MGCOHNPYSA-N 1 0 247.302 -0.218 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001020133254 643060525 /nfs/dbraw/zinc/06/05/25/643060525.db2.gz LNLIJZTVPCFQFN-KYZUINATSA-N 1 0 218.260 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001020133399 643061278 /nfs/dbraw/zinc/06/12/78/643061278.db2.gz SAUJDFMROZKXLI-MGCOHNPYSA-N 1 0 247.302 -0.474 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139213 643060355 /nfs/dbraw/zinc/06/03/55/643060355.db2.gz VGSIFPWMRPLITL-ZYUZMQFOSA-N 1 0 237.259 -0.478 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001020142939 643059783 /nfs/dbraw/zinc/05/97/83/643059783.db2.gz RSVDCNPGIXACAL-HAQNSBGRSA-N 1 0 246.314 -0.167 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001020156616 643061110 /nfs/dbraw/zinc/06/11/10/643061110.db2.gz SKXDZTPEXBDTQQ-KYZUINATSA-N 1 0 236.279 -0.904 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001020176045 643060733 /nfs/dbraw/zinc/06/07/33/643060733.db2.gz IUMNXNKWRCATKW-ZPFDUUQYSA-N 1 0 234.299 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2nccn2)C1 ZINC001020198366 643062968 /nfs/dbraw/zinc/06/29/68/643062968.db2.gz JYDNLPROTXEYQQ-MGCOHNPYSA-N 1 0 233.275 -0.852 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2nccn2)C1 ZINC001020198690 643062658 /nfs/dbraw/zinc/06/26/58/643062658.db2.gz ZGINZGMZMCKRIW-MGCOHNPYSA-N 1 0 235.291 -0.299 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001020211004 643063406 /nfs/dbraw/zinc/06/34/06/643063406.db2.gz QUCLEPRUDCZJGM-DCAQKATOSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001020211005 643062729 /nfs/dbraw/zinc/06/27/29/643062729.db2.gz QUCLEPRUDCZJGM-GMTAPVOTSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001020265343 633815337 /nfs/dbraw/zinc/81/53/37/633815337.db2.gz KICADHAOTNYWEO-MGCOHNPYSA-N 1 0 246.270 -0.334 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001020267402 643065789 /nfs/dbraw/zinc/06/57/89/643065789.db2.gz ZXUZDLXIGZUKOL-KYZUINATSA-N 1 0 248.286 -0.093 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001020270373 643066306 /nfs/dbraw/zinc/06/63/06/643066306.db2.gz HYKNMKHGKDIZFU-GMTAPVOTSA-N 1 0 249.314 -0.475 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001020274877 643065978 /nfs/dbraw/zinc/06/59/78/643065978.db2.gz WXPZUWDZZXMPGB-KYZUINATSA-N 1 0 246.270 -0.334 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001020338660 643069078 /nfs/dbraw/zinc/06/90/78/643069078.db2.gz UCFMTXXWEJLCRX-DCAQKATOSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001020338661 643068202 /nfs/dbraw/zinc/06/82/02/643068202.db2.gz UCFMTXXWEJLCRX-GMTAPVOTSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001020341369 643068883 /nfs/dbraw/zinc/06/88/83/643068883.db2.gz QKIJITPCLTWEHL-ZKCHVHJHSA-N 1 0 219.248 -0.712 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001020341472 643069335 /nfs/dbraw/zinc/06/93/35/643069335.db2.gz VVEMNZGFOLWMHU-ZKCHVHJHSA-N 1 0 221.264 -0.159 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cncn2C)C1 ZINC001020358142 643068357 /nfs/dbraw/zinc/06/83/57/643068357.db2.gz GWEGLYMVEGUZJY-MGCOHNPYSA-N 1 0 232.287 -0.096 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001020424639 711452257 /nfs/dbraw/zinc/45/22/57/711452257.db2.gz JQJHAOARQSXPMS-GIPNMCIBSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001020424640 711452395 /nfs/dbraw/zinc/45/23/95/711452395.db2.gz JQJHAOARQSXPMS-KWBADKCTSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001020457040 643140356 /nfs/dbraw/zinc/14/03/56/643140356.db2.gz CPQZTBSHIOCPDK-KYZUINATSA-N 1 0 233.275 -0.403 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001020464886 643143145 /nfs/dbraw/zinc/14/31/45/643143145.db2.gz KEXWCBPLIDKBRU-GUBZILKMSA-N 1 0 237.303 -0.455 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001020464887 643142154 /nfs/dbraw/zinc/14/21/54/643142154.db2.gz KEXWCBPLIDKBRU-OPRDCNLKSA-N 1 0 237.303 -0.455 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001020466147 643143024 /nfs/dbraw/zinc/14/30/24/643143024.db2.gz HNKVXTABTGGKOE-DBIOUOCHSA-N 1 0 249.314 -0.632 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001020466148 643141351 /nfs/dbraw/zinc/14/13/51/643141351.db2.gz HNKVXTABTGGKOE-GWOFURMSSA-N 1 0 249.314 -0.632 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001020466149 643142884 /nfs/dbraw/zinc/14/28/84/643142884.db2.gz HNKVXTABTGGKOE-NAKRPEOUSA-N 1 0 249.314 -0.632 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001020466150 643142710 /nfs/dbraw/zinc/14/27/10/643142710.db2.gz HNKVXTABTGGKOE-XWLWVQCSSA-N 1 0 249.314 -0.632 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001020469261 643144906 /nfs/dbraw/zinc/14/49/06/643144906.db2.gz RRMJTERHHDIOKG-KYZUINATSA-N 1 0 248.286 -0.391 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001020476377 643151470 /nfs/dbraw/zinc/15/14/70/643151470.db2.gz RTLKMJVTGVDAJO-DCAQKATOSA-N 1 0 249.314 -0.523 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001020480251 643153410 /nfs/dbraw/zinc/15/34/10/643153410.db2.gz XUHQPWGRIASHQP-ZKCHVHJHSA-N 1 0 236.279 -0.754 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001020483220 643156748 /nfs/dbraw/zinc/15/67/48/643156748.db2.gz MLCWTOGBJZJETL-DCAQKATOSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001020483221 643155123 /nfs/dbraw/zinc/15/51/23/643155123.db2.gz MLCWTOGBJZJETL-GMTAPVOTSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001020486668 643157422 /nfs/dbraw/zinc/15/74/22/643157422.db2.gz KCWKPIATVGBHMT-PRRUJLLQSA-N 1 0 234.299 -0.251 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001020501713 643166655 /nfs/dbraw/zinc/16/66/55/643166655.db2.gz RTLKMJVTGVDAJO-GMTAPVOTSA-N 1 0 249.314 -0.523 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001020530770 643172194 /nfs/dbraw/zinc/17/21/94/643172194.db2.gz GQXVVVKVNAOENB-CIUDSAMLSA-N 1 0 238.291 -0.909 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001020530771 643171416 /nfs/dbraw/zinc/17/14/16/643171416.db2.gz GQXVVVKVNAOENB-IWSPIJDZSA-N 1 0 238.291 -0.909 20 30 BBEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001020533248 643171824 /nfs/dbraw/zinc/17/18/24/643171824.db2.gz NMWFAVZLOJOHIX-LJGSYFOKSA-N 1 0 231.683 -0.539 20 30 BBEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001020533930 643172152 /nfs/dbraw/zinc/17/21/52/643172152.db2.gz OGJQWOFTDLKDOJ-ZKCHVHJHSA-N 1 0 211.265 -0.715 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001020547469 643178602 /nfs/dbraw/zinc/17/86/02/643178602.db2.gz NSHQJGHCSRCACZ-KYZUINATSA-N 1 0 248.286 -0.391 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001020552811 643187681 /nfs/dbraw/zinc/18/76/81/643187681.db2.gz OLGKORDPGBBEHM-KWBADKCTSA-N 1 0 249.314 -0.475 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001020596464 643223216 /nfs/dbraw/zinc/22/32/16/643223216.db2.gz STRAJCYMMKRSQE-KYXWUPHJSA-N 1 0 237.303 -0.469 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001020625519 643240723 /nfs/dbraw/zinc/24/07/23/643240723.db2.gz LQTUUQJKILSOTJ-XYPYZODXSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001020636681 643247833 /nfs/dbraw/zinc/24/78/33/643247833.db2.gz DEHAQEIVQFWXLN-MGCOHNPYSA-N 1 0 232.287 -0.178 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001020734360 643285877 /nfs/dbraw/zinc/28/58/77/643285877.db2.gz DSNHQMBXHVUTLM-DCAQKATOSA-N 1 0 249.314 -0.475 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001020734372 643284234 /nfs/dbraw/zinc/28/42/34/643284234.db2.gz DSNHQMBXHVUTLM-GMTAPVOTSA-N 1 0 249.314 -0.475 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001020743244 643288300 /nfs/dbraw/zinc/28/83/00/643288300.db2.gz ATRCYZGUGFDMOA-KYZUINATSA-N 1 0 235.291 -0.149 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001020743407 643288334 /nfs/dbraw/zinc/28/83/34/643288334.db2.gz FFXVWPCOMZQJKU-KYZUINATSA-N 1 0 233.275 -0.701 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001020778854 643292237 /nfs/dbraw/zinc/29/22/37/643292237.db2.gz BLPCULUPNGZCFU-MGCOHNPYSA-N 1 0 230.271 -0.040 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020781709 643292481 /nfs/dbraw/zinc/29/24/81/643292481.db2.gz LOWSPDDJSUZNKP-ZKCHVHJHSA-N 1 0 221.264 -0.159 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020782728 643294395 /nfs/dbraw/zinc/29/43/95/643294395.db2.gz YCXYKMCEBHPBRJ-ZKCHVHJHSA-N 1 0 219.248 -0.712 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC001020786121 643295493 /nfs/dbraw/zinc/29/54/93/643295493.db2.gz OPTPLZDMRDNFDF-ZKCHVHJHSA-N 1 0 220.232 -0.447 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC001020794838 643296744 /nfs/dbraw/zinc/29/67/44/643296744.db2.gz ULMLOFRTMCGBFS-MGCOHNPYSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC001020796261 643298227 /nfs/dbraw/zinc/29/82/27/643298227.db2.gz SDGUCWGUDXBNTI-MGCOHNPYSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001020819351 643306010 /nfs/dbraw/zinc/30/60/10/643306010.db2.gz VLVMXQLPDDWFAM-MGCOHNPYSA-N 1 0 232.287 -0.178 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC)nn2)C1 ZINC001020832935 711468388 /nfs/dbraw/zinc/46/83/88/711468388.db2.gz FMIFEBQOCHVCEJ-MGCOHNPYSA-N 1 0 247.302 -0.218 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nonc2C)C1 ZINC001020860007 643321064 /nfs/dbraw/zinc/32/10/64/643321064.db2.gz CHGQCOLYILZQHF-MGCOHNPYSA-N 1 0 248.286 -0.209 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001020904153 643331129 /nfs/dbraw/zinc/33/11/29/643331129.db2.gz OTOQEIKFGPGDJE-KYZUINATSA-N 1 0 235.291 -0.230 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cncn2C)C1 ZINC001020929579 643341226 /nfs/dbraw/zinc/34/12/26/643341226.db2.gz CFBUQIHKQMQVCC-XYPYZODXSA-N 1 0 246.314 -0.167 20 30 BBEDRO N#CCN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020932947 643342124 /nfs/dbraw/zinc/34/21/24/643342124.db2.gz ZGYDIWNDQLTAJO-XYPYZODXSA-N 1 0 248.330 -0.157 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001020951187 643347169 /nfs/dbraw/zinc/34/71/69/643347169.db2.gz POTLGXPVKOGAAJ-GUBZILKMSA-N 1 0 237.303 -0.312 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cncn2)C1 ZINC001021019121 643386402 /nfs/dbraw/zinc/38/64/02/643386402.db2.gz JAIKQGGXEAMOIU-MGCOHNPYSA-N 1 0 235.291 -0.299 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cncn2)C1 ZINC001021019795 643386551 /nfs/dbraw/zinc/38/65/51/643386551.db2.gz TYNGISQMSZUONB-MGCOHNPYSA-N 1 0 233.275 -0.852 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCC#N)C2)C1 ZINC001021047553 643392517 /nfs/dbraw/zinc/39/25/17/643392517.db2.gz HIBXQCIHLBZLMN-DCAQKATOSA-N 1 0 236.319 -0.302 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCC#N)C2)C1 ZINC001021047554 643393003 /nfs/dbraw/zinc/39/30/03/643393003.db2.gz HIBXQCIHLBZLMN-GMTAPVOTSA-N 1 0 236.319 -0.302 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001021050964 643395421 /nfs/dbraw/zinc/39/54/21/643395421.db2.gz YTANPBSBOQTMLG-MGCOHNPYSA-N 1 0 232.287 -0.096 20 30 BBEDRO N#CCN[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021052109 643395459 /nfs/dbraw/zinc/39/54/59/643395459.db2.gz ZLCHLESAVLMDPR-XYPYZODXSA-N 1 0 236.319 -0.157 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001021127511 643404728 /nfs/dbraw/zinc/40/47/28/643404728.db2.gz NOGLJCMRGIDDBZ-XYPYZODXSA-N 1 0 232.287 -0.247 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2nonc2C)C1 ZINC001021132437 643404903 /nfs/dbraw/zinc/40/49/03/643404903.db2.gz BEEVWOLJSBDAGI-KYZUINATSA-N 1 0 234.259 -0.138 20 30 BBEDRO C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662186 643669273 /nfs/dbraw/zinc/66/92/73/643669273.db2.gz UKXCQECRNXVFAT-GHMZBOCLSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662204 643668437 /nfs/dbraw/zinc/66/84/37/643668437.db2.gz UKXCQECRNXVFAT-MNOVXSKESA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662206 643669660 /nfs/dbraw/zinc/66/96/60/643669660.db2.gz UKXCQECRNXVFAT-QWRGUYRKSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662207 643669025 /nfs/dbraw/zinc/66/90/25/643669025.db2.gz UKXCQECRNXVFAT-WDEREUQCSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnccn2)C1 ZINC001021786942 642332844 /nfs/dbraw/zinc/33/28/44/642332844.db2.gz MYMYVOGTQZRPNS-AOOOYVTPSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001021800812 642342868 /nfs/dbraw/zinc/34/28/68/642342868.db2.gz IJCAQCDELBEGJO-TXEJJXNPSA-N 1 0 245.282 -0.196 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2=COCCO2)C1 ZINC001021802793 642347489 /nfs/dbraw/zinc/34/74/89/642347489.db2.gz VHSOBKXADLDBPB-AOOOYVTPSA-N 1 0 236.271 -0.255 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001021805992 642351973 /nfs/dbraw/zinc/35/19/73/642351973.db2.gz FNSWWNDLOMXLIN-DTORHVGOSA-N 1 0 246.270 -0.334 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001021815966 642363796 /nfs/dbraw/zinc/36/37/96/642363796.db2.gz YMFGVSMAFUYCGE-DTORHVGOSA-N 1 0 236.279 -0.904 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001021820328 642372640 /nfs/dbraw/zinc/37/26/40/642372640.db2.gz LCTUODFJXPYDPG-PHIMTYICSA-N 1 0 232.287 -0.096 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001021820352 642372521 /nfs/dbraw/zinc/37/25/21/642372521.db2.gz MFVKWEXDMXFZNL-PHIMTYICSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cccn2)C1 ZINC001021836681 642395903 /nfs/dbraw/zinc/39/59/03/642395903.db2.gz XEYKGTAOWZNFQK-PHIMTYICSA-N 1 0 232.287 -0.247 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001021848136 642403555 /nfs/dbraw/zinc/40/35/55/642403555.db2.gz DHZMYBJHMPMLAO-AXFHLTTASA-N 1 0 240.303 -0.175 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001021848139 642402594 /nfs/dbraw/zinc/40/25/94/642402594.db2.gz DHZMYBJHMPMLAO-OUAUKWLOSA-N 1 0 240.303 -0.175 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001021848333 642401820 /nfs/dbraw/zinc/40/18/20/642401820.db2.gz DPKFQXSIKYCZMV-AXFHLTTASA-N 1 0 238.287 -0.728 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001021848334 642401542 /nfs/dbraw/zinc/40/15/42/642401542.db2.gz DPKFQXSIKYCZMV-OUAUKWLOSA-N 1 0 238.287 -0.728 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001021855572 642409204 /nfs/dbraw/zinc/40/92/04/642409204.db2.gz ZKQBBEKVPSDSKO-DTORHVGOSA-N 1 0 218.260 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001021861483 642411973 /nfs/dbraw/zinc/41/19/73/642411973.db2.gz FHHWSVTYMXUKGW-AOOOYVTPSA-N 1 0 218.260 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001021880349 642432425 /nfs/dbraw/zinc/43/24/25/642432425.db2.gz NDMSJAOJTLXSLS-GARJFASQSA-N 1 0 222.288 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001021880350 642432619 /nfs/dbraw/zinc/43/26/19/642432619.db2.gz NDMSJAOJTLXSLS-MXWKQRLJSA-N 1 0 222.288 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001021883929 642434112 /nfs/dbraw/zinc/43/41/12/642434112.db2.gz PDEQAZREXZTZDN-TXEJJXNPSA-N 1 0 246.314 -0.167 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnn2C)C1 ZINC001021885068 642433172 /nfs/dbraw/zinc/43/31/72/642433172.db2.gz WWEDEGKCSYETAH-AOOOYVTPSA-N 1 0 232.287 -0.096 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001021895752 642441452 /nfs/dbraw/zinc/44/14/52/642441452.db2.gz QLUBQRQGHXNBHF-AXFHLTTASA-N 1 0 236.319 -0.159 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#N)C1 ZINC001021895753 642440139 /nfs/dbraw/zinc/44/01/39/642440139.db2.gz QLUBQRQGHXNBHF-OUAUKWLOSA-N 1 0 236.319 -0.159 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001021899024 642446590 /nfs/dbraw/zinc/44/65/90/642446590.db2.gz GLSZFMNXAIEVMV-KXUCPTDWSA-N 1 0 235.287 -0.865 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001021899545 642447050 /nfs/dbraw/zinc/44/70/50/642447050.db2.gz POTLGXPVKOGAAJ-KXUCPTDWSA-N 1 0 237.303 -0.312 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nccnc2N)C1 ZINC001021911112 642455936 /nfs/dbraw/zinc/45/59/36/642455936.db2.gz XRIOBERUKSGNED-DTORHVGOSA-N 1 0 245.286 -0.458 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001021918616 711510009 /nfs/dbraw/zinc/51/00/09/711510009.db2.gz SGMPHURXNNQDAK-PHIMTYICSA-N 1 0 232.287 -0.178 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nnn(C)c2C)C1 ZINC001021924983 642458116 /nfs/dbraw/zinc/45/81/16/642458116.db2.gz YACWIYYSJSWLJA-AOOOYVTPSA-N 1 0 247.302 -0.393 20 30 BBEDRO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)c1 ZINC001021948545 642465655 /nfs/dbraw/zinc/46/56/55/642465655.db2.gz TVFKAJZNDSOPFW-AOOOYVTPSA-N 1 0 248.286 -0.271 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001021949210 642467694 /nfs/dbraw/zinc/46/76/94/642467694.db2.gz MNVMFHFNEYNDFC-GARJFASQSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001021949211 642466198 /nfs/dbraw/zinc/46/61/98/642466198.db2.gz MNVMFHFNEYNDFC-MXWKQRLJSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001021965577 642472002 /nfs/dbraw/zinc/47/20/02/642472002.db2.gz VLJBRTGABSRJEC-AOOOYVTPSA-N 1 0 232.287 -0.096 20 30 BBEDRO N#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)[nH]1 ZINC001021976330 642480735 /nfs/dbraw/zinc/48/07/35/642480735.db2.gz FJOMVDUVMJWKER-AOOOYVTPSA-N 1 0 248.286 -0.271 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001021984567 642482196 /nfs/dbraw/zinc/48/21/96/642482196.db2.gz YIMILGAHLOIDKH-GARJFASQSA-N 1 0 247.302 -0.291 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001021984568 642482655 /nfs/dbraw/zinc/48/26/55/642482655.db2.gz YIMILGAHLOIDKH-MXWKQRLJSA-N 1 0 247.302 -0.291 20 30 BBEDRO N#Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)c[nH]1 ZINC001021990389 642487161 /nfs/dbraw/zinc/48/71/61/642487161.db2.gz LUBVRHKWOXZAQP-AOOOYVTPSA-N 1 0 248.286 -0.271 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cncnc2)C1 ZINC001021994625 642489854 /nfs/dbraw/zinc/48/98/54/642489854.db2.gz OIQNDENHIHCZAK-PHIMTYICSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001021996949 642491883 /nfs/dbraw/zinc/49/18/83/642491883.db2.gz OILRPEDULCMXMG-DTORHVGOSA-N 1 0 247.302 -0.514 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001022020664 631239165 /nfs/dbraw/zinc/23/91/65/631239165.db2.gz GVUKLUUWBSNSHZ-TXEJJXNPSA-N 1 0 244.298 -0.111 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2ccnn2C)C1 ZINC001022022768 631242561 /nfs/dbraw/zinc/24/25/61/631242561.db2.gz YANQRQYVRVVSEJ-PHIMTYICSA-N 1 0 246.314 -0.167 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnnn2C)C1 ZINC001022030814 631267706 /nfs/dbraw/zinc/26/77/06/631267706.db2.gz YLDGRMLCEKKYBY-DTORHVGOSA-N 1 0 233.275 -0.701 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001022034119 631275478 /nfs/dbraw/zinc/27/54/78/631275478.db2.gz NWCZLMNWSQAXSI-HRDYMLBCSA-N 1 0 239.275 -0.482 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001022034126 631275622 /nfs/dbraw/zinc/27/56/22/631275622.db2.gz NWCZLMNWSQAXSI-YIZRAAEISA-N 1 0 239.275 -0.482 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnnn2CC)C1 ZINC001022038288 631286578 /nfs/dbraw/zinc/28/65/78/631286578.db2.gz JDBLYNSHSWUABU-AOOOYVTPSA-N 1 0 247.302 -0.218 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001022040889 631287658 /nfs/dbraw/zinc/28/76/58/631287658.db2.gz JJGRMAKTTYKBIH-DTORHVGOSA-N 1 0 235.291 -0.149 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001022041199 631287786 /nfs/dbraw/zinc/28/77/86/631287786.db2.gz LLIKUBFICNJZQT-DTORHVGOSA-N 1 0 233.275 -0.701 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001022043985 631296324 /nfs/dbraw/zinc/29/63/24/631296324.db2.gz OXIUSUVDITUGCQ-DTORHVGOSA-N 1 0 233.275 -0.701 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001022043999 631297226 /nfs/dbraw/zinc/29/72/26/631297226.db2.gz PDBOVCMBSPUCQC-AOOOYVTPSA-N 1 0 248.286 -0.209 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001022044044 631296524 /nfs/dbraw/zinc/29/65/24/631296524.db2.gz PZUBBDLNWWXUDA-DTORHVGOSA-N 1 0 235.291 -0.149 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC)n2)C1 ZINC001022046303 631301675 /nfs/dbraw/zinc/30/16/75/631301675.db2.gz ILEIZZUMPDHVOI-AOOOYVTPSA-N 1 0 247.302 -0.218 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001022053709 631306212 /nfs/dbraw/zinc/30/62/12/631306212.db2.gz SAUJDFMROZKXLI-AOOOYVTPSA-N 1 0 247.302 -0.474 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001022055378 631309964 /nfs/dbraw/zinc/30/99/64/631309964.db2.gz LNLIJZTVPCFQFN-DTORHVGOSA-N 1 0 218.260 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022061786 631323620 /nfs/dbraw/zinc/32/36/20/631323620.db2.gz VGSIFPWMRPLITL-UTINFBMNSA-N 1 0 237.259 -0.478 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001022068343 711525752 /nfs/dbraw/zinc/52/57/52/711525752.db2.gz RSVDCNPGIXACAL-TXEJJXNPSA-N 1 0 246.314 -0.167 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001022083533 631338896 /nfs/dbraw/zinc/33/88/96/631338896.db2.gz SKXDZTPEXBDTQQ-DTORHVGOSA-N 1 0 236.279 -0.904 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001022112895 631360277 /nfs/dbraw/zinc/36/02/77/631360277.db2.gz IUMNXNKWRCATKW-KQXIARHKSA-N 1 0 234.299 -0.107 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2nccn2)C1 ZINC001022141226 631388162 /nfs/dbraw/zinc/38/81/62/631388162.db2.gz JYDNLPROTXEYQQ-AOOOYVTPSA-N 1 0 233.275 -0.852 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2nccn2)C1 ZINC001022141514 631388844 /nfs/dbraw/zinc/38/88/44/631388844.db2.gz ZGINZGMZMCKRIW-AOOOYVTPSA-N 1 0 235.291 -0.299 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001022160947 631402108 /nfs/dbraw/zinc/40/21/08/631402108.db2.gz QUCLEPRUDCZJGM-GARJFASQSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001022160948 631403658 /nfs/dbraw/zinc/40/36/58/631403658.db2.gz QUCLEPRUDCZJGM-MXWKQRLJSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001022191554 631405000 /nfs/dbraw/zinc/40/50/00/631405000.db2.gz NGXDOEQTMSOMGF-GARJFASQSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001022191555 631406248 /nfs/dbraw/zinc/40/62/48/631406248.db2.gz NGXDOEQTMSOMGF-MXWKQRLJSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001022234222 631428738 /nfs/dbraw/zinc/42/87/38/631428738.db2.gz SGMHISKLJUUHEF-AXFHLTTASA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001022234223 631427976 /nfs/dbraw/zinc/42/79/76/631427976.db2.gz SGMHISKLJUUHEF-OUAUKWLOSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001022243933 631430431 /nfs/dbraw/zinc/43/04/31/631430431.db2.gz ZXUZDLXIGZUKOL-DTORHVGOSA-N 1 0 248.286 -0.093 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001022244861 631430495 /nfs/dbraw/zinc/43/04/95/631430495.db2.gz KICADHAOTNYWEO-AOOOYVTPSA-N 1 0 246.270 -0.334 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001022248558 631434346 /nfs/dbraw/zinc/43/43/46/631434346.db2.gz HYKNMKHGKDIZFU-OUAUKWLOSA-N 1 0 249.314 -0.475 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001022257463 631440026 /nfs/dbraw/zinc/44/00/26/631440026.db2.gz WXPZUWDZZXMPGB-DTORHVGOSA-N 1 0 246.270 -0.334 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001022346178 631492594 /nfs/dbraw/zinc/49/25/94/631492594.db2.gz UCFMTXXWEJLCRX-GARJFASQSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001022346179 631491493 /nfs/dbraw/zinc/49/14/93/631491493.db2.gz UCFMTXXWEJLCRX-MXWKQRLJSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001022350902 631497710 /nfs/dbraw/zinc/49/77/10/631497710.db2.gz QKIJITPCLTWEHL-OCAPTIKFSA-N 1 0 219.248 -0.712 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001022351281 631496329 /nfs/dbraw/zinc/49/63/29/631496329.db2.gz VVEMNZGFOLWMHU-OCAPTIKFSA-N 1 0 221.264 -0.159 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cncn2C)C1 ZINC001022375447 631510615 /nfs/dbraw/zinc/51/06/15/631510615.db2.gz GWEGLYMVEGUZJY-AOOOYVTPSA-N 1 0 232.287 -0.096 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001022479581 711561187 /nfs/dbraw/zinc/56/11/87/711561187.db2.gz JQJHAOARQSXPMS-CWSCBRNRSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001022479582 711561452 /nfs/dbraw/zinc/56/14/52/711561452.db2.gz JQJHAOARQSXPMS-GBIKHYSHSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001022526531 631660597 /nfs/dbraw/zinc/66/05/97/631660597.db2.gz CPQZTBSHIOCPDK-DTORHVGOSA-N 1 0 233.275 -0.403 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001022535506 631662564 /nfs/dbraw/zinc/66/25/64/631662564.db2.gz KEXWCBPLIDKBRU-AEJSXWLSSA-N 1 0 237.303 -0.455 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001022535510 631662386 /nfs/dbraw/zinc/66/23/86/631662386.db2.gz KEXWCBPLIDKBRU-KXUCPTDWSA-N 1 0 237.303 -0.455 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001022539274 631668604 /nfs/dbraw/zinc/66/86/04/631668604.db2.gz HNKVXTABTGGKOE-LMLFDSFASA-N 1 0 249.314 -0.632 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001022539275 631669304 /nfs/dbraw/zinc/66/93/04/631669304.db2.gz HNKVXTABTGGKOE-VLEAKVRGSA-N 1 0 249.314 -0.632 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001022539276 631669659 /nfs/dbraw/zinc/66/96/59/631669659.db2.gz HNKVXTABTGGKOE-YTWAJWBKSA-N 1 0 249.314 -0.632 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001022539277 631669152 /nfs/dbraw/zinc/66/91/52/631669152.db2.gz HNKVXTABTGGKOE-ZRUFSTJUSA-N 1 0 249.314 -0.632 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001022545310 631675169 /nfs/dbraw/zinc/67/51/69/631675169.db2.gz RRMJTERHHDIOKG-DTORHVGOSA-N 1 0 248.286 -0.391 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001022553854 631684608 /nfs/dbraw/zinc/68/46/08/631684608.db2.gz RTLKMJVTGVDAJO-AXFHLTTASA-N 1 0 249.314 -0.523 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001022561023 631692706 /nfs/dbraw/zinc/69/27/06/631692706.db2.gz XUHQPWGRIASHQP-OCAPTIKFSA-N 1 0 236.279 -0.754 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001022561428 631692528 /nfs/dbraw/zinc/69/25/28/631692528.db2.gz MLCWTOGBJZJETL-AXFHLTTASA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001022561429 631692363 /nfs/dbraw/zinc/69/23/63/631692363.db2.gz MLCWTOGBJZJETL-OUAUKWLOSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001022565639 631697599 /nfs/dbraw/zinc/69/75/99/631697599.db2.gz KCWKPIATVGBHMT-YYNVLWEHSA-N 1 0 234.299 -0.251 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001022587200 631713239 /nfs/dbraw/zinc/71/32/39/631713239.db2.gz RTLKMJVTGVDAJO-OUAUKWLOSA-N 1 0 249.314 -0.523 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001022600295 631726171 /nfs/dbraw/zinc/72/61/71/631726171.db2.gz KPFAYOVOIBHNMT-JFGNBEQYSA-N 1 0 240.278 -0.015 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001022600296 631726427 /nfs/dbraw/zinc/72/64/27/631726427.db2.gz KPFAYOVOIBHNMT-UMNHJUIQSA-N 1 0 240.278 -0.015 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001022613659 631732080 /nfs/dbraw/zinc/73/20/80/631732080.db2.gz JBQXFGFAHJRTDN-DTORHVGOSA-N 1 0 248.286 -0.194 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001022614020 631732847 /nfs/dbraw/zinc/73/28/47/631732847.db2.gz OVLRBPRVNPAYDL-DTORHVGOSA-N 1 0 246.270 -0.747 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001022629640 631736012 /nfs/dbraw/zinc/73/60/12/631736012.db2.gz GQXVVVKVNAOENB-HRDYMLBCSA-N 1 0 238.291 -0.909 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001022629645 631736372 /nfs/dbraw/zinc/73/63/72/631736372.db2.gz GQXVVVKVNAOENB-YIZRAAEISA-N 1 0 238.291 -0.909 20 30 BBEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001022634818 711576886 /nfs/dbraw/zinc/57/68/86/711576886.db2.gz OGJQWOFTDLKDOJ-OCAPTIKFSA-N 1 0 211.265 -0.715 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001022653219 631741683 /nfs/dbraw/zinc/74/16/83/631741683.db2.gz NSHQJGHCSRCACZ-DTORHVGOSA-N 1 0 248.286 -0.391 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001022661676 631748458 /nfs/dbraw/zinc/74/84/58/631748458.db2.gz OLGKORDPGBBEHM-CWSCBRNRSA-N 1 0 249.314 -0.475 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001022701050 631791073 /nfs/dbraw/zinc/79/10/73/631791073.db2.gz KRSSOBBEQJXLDC-CWSCBRNRSA-N 1 0 249.314 -0.617 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001022701051 631789989 /nfs/dbraw/zinc/78/99/89/631789989.db2.gz KRSSOBBEQJXLDC-GBIKHYSHSA-N 1 0 249.314 -0.617 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001022725031 631827234 /nfs/dbraw/zinc/82/72/34/631827234.db2.gz STRAJCYMMKRSQE-RGOKHQFPSA-N 1 0 237.303 -0.469 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001022762072 631893278 /nfs/dbraw/zinc/89/32/78/631893278.db2.gz LQTUUQJKILSOTJ-PHIMTYICSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001022774784 631914726 /nfs/dbraw/zinc/91/47/26/631914726.db2.gz DEHAQEIVQFWXLN-AOOOYVTPSA-N 1 0 232.287 -0.178 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001022843872 631986699 /nfs/dbraw/zinc/98/66/99/631986699.db2.gz DSNHQMBXHVUTLM-GARJFASQSA-N 1 0 249.314 -0.475 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001022843873 631987903 /nfs/dbraw/zinc/98/79/03/631987903.db2.gz DSNHQMBXHVUTLM-MXWKQRLJSA-N 1 0 249.314 -0.475 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001022850128 631989691 /nfs/dbraw/zinc/98/96/91/631989691.db2.gz ATRCYZGUGFDMOA-DTORHVGOSA-N 1 0 235.291 -0.149 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001022850193 631989270 /nfs/dbraw/zinc/98/92/70/631989270.db2.gz FFXVWPCOMZQJKU-DTORHVGOSA-N 1 0 233.275 -0.701 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001022869112 632015092 /nfs/dbraw/zinc/01/50/92/632015092.db2.gz LOWSPDDJSUZNKP-OCAPTIKFSA-N 1 0 221.264 -0.159 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001022869323 632015067 /nfs/dbraw/zinc/01/50/67/632015067.db2.gz YCXYKMCEBHPBRJ-OCAPTIKFSA-N 1 0 219.248 -0.712 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccncn2)C1 ZINC001022869971 632014925 /nfs/dbraw/zinc/01/49/25/632014925.db2.gz BLPCULUPNGZCFU-AOOOYVTPSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnon2)C1 ZINC001022871331 632015604 /nfs/dbraw/zinc/01/56/04/632015604.db2.gz OPTPLZDMRDNFDF-OCAPTIKFSA-N 1 0 220.232 -0.447 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncccn2)C1 ZINC001022876004 711600623 /nfs/dbraw/zinc/60/06/23/711600623.db2.gz ULMLOFRTMCGBFS-AOOOYVTPSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC001022879140 632020899 /nfs/dbraw/zinc/02/08/99/632020899.db2.gz SDGUCWGUDXBNTI-AOOOYVTPSA-N 1 0 230.271 -0.040 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001022889673 632032621 /nfs/dbraw/zinc/03/26/21/632032621.db2.gz VLVMXQLPDDWFAM-AOOOYVTPSA-N 1 0 232.287 -0.178 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC)nn2)C1 ZINC001022903030 632042118 /nfs/dbraw/zinc/04/21/18/632042118.db2.gz FMIFEBQOCHVCEJ-AOOOYVTPSA-N 1 0 247.302 -0.218 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nonc2C)C1 ZINC001022918189 632053271 /nfs/dbraw/zinc/05/32/71/632053271.db2.gz CHGQCOLYILZQHF-AOOOYVTPSA-N 1 0 248.286 -0.209 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001022953367 632078786 /nfs/dbraw/zinc/07/87/86/632078786.db2.gz OTOQEIKFGPGDJE-DTORHVGOSA-N 1 0 235.291 -0.230 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001022953751 632077838 /nfs/dbraw/zinc/07/78/38/632077838.db2.gz ZMHXBVRNAOJPOP-DTORHVGOSA-N 1 0 233.275 -0.783 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001022976623 632091105 /nfs/dbraw/zinc/09/11/05/632091105.db2.gz CFBUQIHKQMQVCC-PHIMTYICSA-N 1 0 246.314 -0.167 20 30 BBEDRO N#CCN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022980576 632092716 /nfs/dbraw/zinc/09/27/16/632092716.db2.gz ZGYDIWNDQLTAJO-PHIMTYICSA-N 1 0 248.330 -0.157 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001022994983 632098759 /nfs/dbraw/zinc/09/87/59/632098759.db2.gz GLSZFMNXAIEVMV-AEJSXWLSSA-N 1 0 235.287 -0.865 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001022995364 632097409 /nfs/dbraw/zinc/09/74/09/632097409.db2.gz POTLGXPVKOGAAJ-AEJSXWLSSA-N 1 0 237.303 -0.312 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001023059400 632121593 /nfs/dbraw/zinc/12/15/93/632121593.db2.gz JAIKQGGXEAMOIU-AOOOYVTPSA-N 1 0 235.291 -0.299 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001023059804 632120857 /nfs/dbraw/zinc/12/08/57/632120857.db2.gz TYNGISQMSZUONB-AOOOYVTPSA-N 1 0 233.275 -0.852 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCC#N)C2)C1 ZINC001023084055 632126060 /nfs/dbraw/zinc/12/60/60/632126060.db2.gz HIBXQCIHLBZLMN-GARJFASQSA-N 1 0 236.319 -0.302 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCC#N)C2)C1 ZINC001023084056 632126460 /nfs/dbraw/zinc/12/64/60/632126460.db2.gz HIBXQCIHLBZLMN-MXWKQRLJSA-N 1 0 236.319 -0.302 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001023087470 632127397 /nfs/dbraw/zinc/12/73/97/632127397.db2.gz YTANPBSBOQTMLG-AOOOYVTPSA-N 1 0 232.287 -0.096 20 30 BBEDRO N#CCN[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023089121 632127790 /nfs/dbraw/zinc/12/77/90/632127790.db2.gz ZLCHLESAVLMDPR-PHIMTYICSA-N 1 0 236.319 -0.157 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001023159008 632403703 /nfs/dbraw/zinc/40/37/03/632403703.db2.gz NOGLJCMRGIDDBZ-PHIMTYICSA-N 1 0 232.287 -0.247 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nonc2C)C1 ZINC001023162924 632404871 /nfs/dbraw/zinc/40/48/71/632404871.db2.gz BEEVWOLJSBDAGI-DTORHVGOSA-N 1 0 234.259 -0.138 20 30 BBEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023456898 632466625 /nfs/dbraw/zinc/46/66/25/632466625.db2.gz BLSMDUNEHAUFOI-JTQLQIEISA-N 1 0 247.302 -0.120 20 30 BBEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023456899 632465883 /nfs/dbraw/zinc/46/58/83/632465883.db2.gz BLSMDUNEHAUFOI-SNVBAGLBSA-N 1 0 247.302 -0.120 20 30 BBEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657071 632555412 /nfs/dbraw/zinc/55/54/12/632555412.db2.gz LGHZHBMLQBTBIK-JTQLQIEISA-N 1 0 247.302 -0.120 20 30 BBEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657077 632554211 /nfs/dbraw/zinc/55/42/11/632554211.db2.gz LGHZHBMLQBTBIK-SNVBAGLBSA-N 1 0 247.302 -0.120 20 30 BBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775288 633765474 /nfs/dbraw/zinc/76/54/74/633765474.db2.gz LWWWOHLTGBZUFI-NZFPMDFQSA-N 1 0 249.270 -0.669 20 30 BBEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]21 ZINC001026224357 633900239 /nfs/dbraw/zinc/90/02/39/633900239.db2.gz ZDVUVKRZOFQOIJ-GARJFASQSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]12 ZINC001026224358 633899243 /nfs/dbraw/zinc/89/92/43/633899243.db2.gz ZDVUVKRZOFQOIJ-GMTAPVOTSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC001026224359 633900026 /nfs/dbraw/zinc/90/00/26/633900026.db2.gz ZDVUVKRZOFQOIJ-HBNTYKKESA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]12 ZINC001026224360 633899234 /nfs/dbraw/zinc/89/92/34/633899234.db2.gz ZDVUVKRZOFQOIJ-OUAUKWLOSA-N 1 0 249.314 -0.678 20 30 BBEDRO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001026342554 633997596 /nfs/dbraw/zinc/99/75/96/633997596.db2.gz SYLYLBICWSWJEU-IVZWLZJFSA-N 1 0 237.303 -0.516 20 30 BBEDRO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@H]12 ZINC001026342557 633997793 /nfs/dbraw/zinc/99/77/93/633997793.db2.gz SYLYLBICWSWJEU-KXUCPTDWSA-N 1 0 237.303 -0.516 20 30 BBEDRO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC001026342558 633998362 /nfs/dbraw/zinc/99/83/62/633998362.db2.gz SYLYLBICWSWJEU-LPEHRKFASA-N 1 0 237.303 -0.516 20 30 BBEDRO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 ZINC001026342559 633997307 /nfs/dbraw/zinc/99/73/07/633997307.db2.gz SYLYLBICWSWJEU-OPRDCNLKSA-N 1 0 237.303 -0.516 20 30 BBEDRO C#CC[NH2+]C1CCC(NC(=O)C(N)=O)CC1 ZINC001026551055 634210034 /nfs/dbraw/zinc/21/00/34/634210034.db2.gz IDSVDUUDQAWXGO-UHFFFAOYSA-N 1 0 223.276 -0.878 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027343728 634484070 /nfs/dbraw/zinc/48/40/70/634484070.db2.gz FKIIESADMIIFQY-JTQLQIEISA-N 1 0 237.303 -0.582 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027343729 634484596 /nfs/dbraw/zinc/48/45/96/634484596.db2.gz FKIIESADMIIFQY-SNVBAGLBSA-N 1 0 237.303 -0.582 20 30 BBEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344031 634486643 /nfs/dbraw/zinc/48/66/43/634486643.db2.gz MQCMRAQZJGERKH-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344032 634487321 /nfs/dbraw/zinc/48/73/21/634487321.db2.gz MQCMRAQZJGERKH-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001027473222 634525601 /nfs/dbraw/zinc/52/56/01/634525601.db2.gz IIPPKSPNCSCGAD-JTQLQIEISA-N 1 0 247.302 -0.026 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001027473223 634526393 /nfs/dbraw/zinc/52/63/93/634526393.db2.gz IIPPKSPNCSCGAD-SNVBAGLBSA-N 1 0 247.302 -0.026 20 30 BBEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027552754 634558029 /nfs/dbraw/zinc/55/80/29/634558029.db2.gz IMSJCEUMGAJOFP-SECBINFHSA-N 1 0 225.292 -0.420 20 30 BBEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027552755 634558664 /nfs/dbraw/zinc/55/86/64/634558664.db2.gz IMSJCEUMGAJOFP-VIFPVBQESA-N 1 0 225.292 -0.420 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027552768 634555745 /nfs/dbraw/zinc/55/57/45/634555745.db2.gz IRFXPPLIGDVCBY-SECBINFHSA-N 1 0 223.276 -0.972 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027552769 634556396 /nfs/dbraw/zinc/55/63/96/634556396.db2.gz IRFXPPLIGDVCBY-VIFPVBQESA-N 1 0 223.276 -0.972 20 30 BBEDRO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553401 634559925 /nfs/dbraw/zinc/55/99/25/634559925.db2.gz XCOWNQGGEWRQIH-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553402 634559427 /nfs/dbraw/zinc/55/94/27/634559427.db2.gz XCOWNQGGEWRQIH-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001027620588 634597210 /nfs/dbraw/zinc/59/72/10/634597210.db2.gz IWZWNLZQRAOYDB-JTQLQIEISA-N 1 0 247.302 -0.026 20 30 BBEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001027620589 634595507 /nfs/dbraw/zinc/59/55/07/634595507.db2.gz IWZWNLZQRAOYDB-SNVBAGLBSA-N 1 0 247.302 -0.026 20 30 BBEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027792820 711735484 /nfs/dbraw/zinc/73/54/84/711735484.db2.gz WXUOKPKCROBPIC-GHMZBOCLSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027792821 711735572 /nfs/dbraw/zinc/73/55/72/711735572.db2.gz WXUOKPKCROBPIC-WDEREUQCSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028073502 635349690 /nfs/dbraw/zinc/34/96/90/635349690.db2.gz UZHKFFQXVMYKGK-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001028073504 635350914 /nfs/dbraw/zinc/35/09/14/635350914.db2.gz UZHKFFQXVMYKGK-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001028073505 635349848 /nfs/dbraw/zinc/34/98/48/635349848.db2.gz UZHKFFQXVMYKGK-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028073506 635350344 /nfs/dbraw/zinc/35/03/44/635350344.db2.gz UZHKFFQXVMYKGK-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028142073 711756833 /nfs/dbraw/zinc/75/68/33/711756833.db2.gz YINSHJUCLKTUNK-AXFHLTTASA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028142074 711756825 /nfs/dbraw/zinc/75/68/25/711756825.db2.gz YINSHJUCLKTUNK-MXWKQRLJSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CCN1CCC[C@@H]1CNC(=O)c1cnon1 ZINC001028215353 635492461 /nfs/dbraw/zinc/49/24/61/635492461.db2.gz PLKIMXTVYRWAOI-SECBINFHSA-N 1 0 234.259 -0.103 20 30 BBEDRO C#CCN1CCC[C@H]1CNC(=O)c1cnon1 ZINC001028215354 635492672 /nfs/dbraw/zinc/49/26/72/635492672.db2.gz PLKIMXTVYRWAOI-VIFPVBQESA-N 1 0 234.259 -0.103 20 30 BBEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028269857 635600385 /nfs/dbraw/zinc/60/03/85/635600385.db2.gz WXUOKPKCROBPIC-MNOVXSKESA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028269859 635600205 /nfs/dbraw/zinc/60/02/05/635600205.db2.gz WXUOKPKCROBPIC-QWRGUYRKSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028448817 635678884 /nfs/dbraw/zinc/67/88/84/635678884.db2.gz NSMDAWCJCQAIAP-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028448818 635677171 /nfs/dbraw/zinc/67/71/71/635677171.db2.gz NSMDAWCJCQAIAP-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001028510212 635710850 /nfs/dbraw/zinc/71/08/50/635710850.db2.gz DJHLPWSCPKBKCC-JTQLQIEISA-N 1 0 247.302 -0.500 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001028510213 635712003 /nfs/dbraw/zinc/71/20/03/635712003.db2.gz DJHLPWSCPKBKCC-SNVBAGLBSA-N 1 0 247.302 -0.500 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001028513960 711764465 /nfs/dbraw/zinc/76/44/65/711764465.db2.gz ZXZPWOOTTUYLFV-JTQLQIEISA-N 1 0 247.302 -0.500 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cnnn2C)C1 ZINC001028513961 711764383 /nfs/dbraw/zinc/76/43/83/711764383.db2.gz ZXZPWOOTTUYLFV-SNVBAGLBSA-N 1 0 247.302 -0.500 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001028517928 711764565 /nfs/dbraw/zinc/76/45/65/711764565.db2.gz LULDXZCZDAOBAW-JTQLQIEISA-N 1 0 247.302 -0.500 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001028517929 711764584 /nfs/dbraw/zinc/76/45/84/711764584.db2.gz LULDXZCZDAOBAW-SNVBAGLBSA-N 1 0 247.302 -0.500 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028654174 635771890 /nfs/dbraw/zinc/77/18/90/635771890.db2.gz YHYYXCLNWPQNST-JTQLQIEISA-N 1 0 247.302 -0.120 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028654175 635772657 /nfs/dbraw/zinc/77/26/57/635772657.db2.gz YHYYXCLNWPQNST-SNVBAGLBSA-N 1 0 247.302 -0.120 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001028727099 635808313 /nfs/dbraw/zinc/80/83/13/635808313.db2.gz AYRHAJSNGUHQFM-JTQLQIEISA-N 1 0 247.302 -0.202 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001028727102 635808687 /nfs/dbraw/zinc/80/86/87/635808687.db2.gz AYRHAJSNGUHQFM-SNVBAGLBSA-N 1 0 247.302 -0.202 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028734647 635810505 /nfs/dbraw/zinc/81/05/05/635810505.db2.gz AUCQYEZOGFYHTC-GHMZBOCLSA-N 1 0 249.314 -0.806 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028734650 635810317 /nfs/dbraw/zinc/81/03/17/635810317.db2.gz AUCQYEZOGFYHTC-MNOVXSKESA-N 1 0 249.314 -0.806 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028734652 635810593 /nfs/dbraw/zinc/81/05/93/635810593.db2.gz AUCQYEZOGFYHTC-QWRGUYRKSA-N 1 0 249.314 -0.806 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028734653 635810449 /nfs/dbraw/zinc/81/04/49/635810449.db2.gz AUCQYEZOGFYHTC-WDEREUQCSA-N 1 0 249.314 -0.806 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001028738955 635811479 /nfs/dbraw/zinc/81/14/79/635811479.db2.gz HNGINTVBHQFKEE-NDBYEHHHSA-N 1 0 248.326 -0.050 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001028738956 635811725 /nfs/dbraw/zinc/81/17/25/635811725.db2.gz HNGINTVBHQFKEE-WUHRBBMRSA-N 1 0 248.326 -0.050 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001028864821 635840068 /nfs/dbraw/zinc/84/00/68/635840068.db2.gz JXSDPVBAJRCMCB-JTQLQIEISA-N 1 0 247.302 -0.500 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001028864823 635840181 /nfs/dbraw/zinc/84/01/81/635840181.db2.gz JXSDPVBAJRCMCB-SNVBAGLBSA-N 1 0 247.302 -0.500 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001028881343 635844628 /nfs/dbraw/zinc/84/46/28/635844628.db2.gz VJOIVFPPGQPMCL-SECBINFHSA-N 1 0 234.259 -0.246 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001028881344 635844402 /nfs/dbraw/zinc/84/44/02/635844402.db2.gz VJOIVFPPGQPMCL-VIFPVBQESA-N 1 0 234.259 -0.246 20 30 BBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028935954 635852150 /nfs/dbraw/zinc/85/21/50/635852150.db2.gz NSMDAWCJCQAIAP-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028935955 635852671 /nfs/dbraw/zinc/85/26/71/635852671.db2.gz NSMDAWCJCQAIAP-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029243122 636034800 /nfs/dbraw/zinc/03/48/00/636034800.db2.gz SFKGNNLYINLXIE-GARJFASQSA-N 1 0 237.303 -0.186 20 30 BBEDRO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029243123 636034062 /nfs/dbraw/zinc/03/40/62/636034062.db2.gz SFKGNNLYINLXIE-MXWKQRLJSA-N 1 0 237.303 -0.186 20 30 BBEDRO C#CCCN1CC(NC(=O)c2cnn(C)c2)C1 ZINC001030093246 640586186 /nfs/dbraw/zinc/58/61/86/640586186.db2.gz NWAKNMQBLNCLNK-UHFFFAOYSA-N 1 0 232.287 -0.143 20 30 BBEDRO C#CCN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030155325 640638484 /nfs/dbraw/zinc/63/84/84/640638484.db2.gz NGPAFSLEDZUKGS-LLVKDONJSA-N 1 0 221.304 -0.486 20 30 BBEDRO C#CCN1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030155326 640638736 /nfs/dbraw/zinc/63/87/36/640638736.db2.gz NGPAFSLEDZUKGS-NSHDSACASA-N 1 0 221.304 -0.486 20 30 BBEDRO CC#CCN1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030160794 640644897 /nfs/dbraw/zinc/64/48/97/640644897.db2.gz GQSZVKFNQVVYDS-GFCCVEGCSA-N 1 0 235.331 -0.096 20 30 BBEDRO CC#CCN1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030160795 640646118 /nfs/dbraw/zinc/64/61/18/640646118.db2.gz GQSZVKFNQVVYDS-LBPRGKRZSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCCN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030161027 640644958 /nfs/dbraw/zinc/64/49/58/640644958.db2.gz IVVIXQOLUJLTSV-GFCCVEGCSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCCN1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030161029 640644322 /nfs/dbraw/zinc/64/43/22/640644322.db2.gz IVVIXQOLUJLTSV-LBPRGKRZSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCCN1CC(NC(=O)c2cncnc2)C1 ZINC001030241950 711829320 /nfs/dbraw/zinc/82/93/20/711829320.db2.gz HJAFRFLKGFYFRN-UHFFFAOYSA-N 1 0 230.271 -0.086 20 30 BBEDRO N#CCN1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030323160 640760066 /nfs/dbraw/zinc/76/00/66/640760066.db2.gz IOOSCUBISFGGPV-GFCCVEGCSA-N 1 0 248.330 -0.348 20 30 BBEDRO N#CCN1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030323163 640759563 /nfs/dbraw/zinc/75/95/63/640759563.db2.gz IOOSCUBISFGGPV-LBPRGKRZSA-N 1 0 248.330 -0.348 20 30 BBEDRO C#CCN1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030323965 640761276 /nfs/dbraw/zinc/76/12/76/640761276.db2.gz UBJKHRZTULQEKH-CYBMUJFWSA-N 1 0 247.342 -0.238 20 30 BBEDRO C#CCN1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030323966 640760953 /nfs/dbraw/zinc/76/09/53/640760953.db2.gz UBJKHRZTULQEKH-ZDUSSCGKSA-N 1 0 247.342 -0.238 20 30 BBEDRO C[C@@H]1[C@H](C(=O)NC2CN(CC#N)C2)CC[N@@H+]1C ZINC001030334971 711831234 /nfs/dbraw/zinc/83/12/34/711831234.db2.gz GQYLWPNKTWMTHE-MWLCHTKSSA-N 1 0 236.319 -0.349 20 30 BBEDRO C#CCN1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030335405 640769117 /nfs/dbraw/zinc/76/91/17/640769117.db2.gz WISKQWQTZDYDEH-ZYHUDNBSSA-N 1 0 235.331 -0.240 20 30 BBEDRO C#CCN1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030534736 640899812 /nfs/dbraw/zinc/89/98/12/640899812.db2.gz HGMXPEMJCXXSMQ-GFCCVEGCSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCN1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030534737 640900292 /nfs/dbraw/zinc/90/02/92/640900292.db2.gz HGMXPEMJCXXSMQ-LBPRGKRZSA-N 1 0 235.331 -0.096 20 30 BBEDRO C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(CC#N)C1 ZINC001030535532 640901898 /nfs/dbraw/zinc/90/18/98/640901898.db2.gz PZRSCEWVARCVHY-LLVKDONJSA-N 1 0 236.319 -0.205 20 30 BBEDRO C[N@@H+]1CCCC[C@H]1C(=O)NC1CN(CC#N)C1 ZINC001030535535 640901986 /nfs/dbraw/zinc/90/19/86/640901986.db2.gz PZRSCEWVARCVHY-NSHDSACASA-N 1 0 236.319 -0.205 20 30 BBEDRO N#CCN1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001030607283 640955642 /nfs/dbraw/zinc/95/56/42/640955642.db2.gz HKOIUNCXDQZDGD-UHFFFAOYSA-N 1 0 248.330 -0.061 20 30 BBEDRO C[NH+]1CCC(C(=O)NC2CN(CC#N)C2)CC1 ZINC001030888013 641405965 /nfs/dbraw/zinc/40/59/65/641405965.db2.gz MBMOKBHBXWTDKA-UHFFFAOYSA-N 1 0 236.319 -0.348 20 30 BBEDRO C#CCN1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030888137 641404298 /nfs/dbraw/zinc/40/42/98/641404298.db2.gz POSMCMTXXDHZNQ-UHFFFAOYSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCCN1CC(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001030947142 641504031 /nfs/dbraw/zinc/50/40/31/641504031.db2.gz PJKHKTUICXTHKR-CYBMUJFWSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCCN1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001030947143 641504897 /nfs/dbraw/zinc/50/48/97/641504897.db2.gz PJKHKTUICXTHKR-ZDUSSCGKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C[C@H]1CCC[N@@H+]1CC(=O)NC1CN(CC#N)C1 ZINC001030954550 641520256 /nfs/dbraw/zinc/52/02/56/641520256.db2.gz XRKISYWTUBIWDW-JTQLQIEISA-N 1 0 236.319 -0.205 20 30 BBEDRO C[C@@H]1CCC[N@@H+]1CC(=O)NC1CN(CC#N)C1 ZINC001030954551 641519987 /nfs/dbraw/zinc/51/99/87/641519987.db2.gz XRKISYWTUBIWDW-SNVBAGLBSA-N 1 0 236.319 -0.205 20 30 BBEDRO C#CCN1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030959786 641525977 /nfs/dbraw/zinc/52/59/77/641525977.db2.gz DXHYEIXJDZMCMF-CMPLNLGQSA-N 1 0 235.331 -0.382 20 30 BBEDRO C#CCN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030959791 641525833 /nfs/dbraw/zinc/52/58/33/641525833.db2.gz DXHYEIXJDZMCMF-JQWIXIFHSA-N 1 0 235.331 -0.382 20 30 BBEDRO C#CCN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030959792 641526139 /nfs/dbraw/zinc/52/61/39/641526139.db2.gz DXHYEIXJDZMCMF-PWSUYJOCSA-N 1 0 235.331 -0.382 20 30 BBEDRO C#CCN1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030959793 641525244 /nfs/dbraw/zinc/52/52/44/641525244.db2.gz DXHYEIXJDZMCMF-ZYHUDNBSSA-N 1 0 235.331 -0.382 20 30 BBEDRO C[C@H]1CC[N@H+](CC(=O)NC2CN(CC#N)C2)C1 ZINC001030960510 641525424 /nfs/dbraw/zinc/52/54/24/641525424.db2.gz UGNXEKIEVQXYEU-JTQLQIEISA-N 1 0 236.319 -0.348 20 30 BBEDRO C[C@@H]1CC[N@H+](CC(=O)NC2CN(CC#N)C2)C1 ZINC001030960511 641525872 /nfs/dbraw/zinc/52/58/72/641525872.db2.gz UGNXEKIEVQXYEU-SNVBAGLBSA-N 1 0 236.319 -0.348 20 30 BBEDRO C#CCN1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030960523 641525932 /nfs/dbraw/zinc/52/59/32/641525932.db2.gz UKVYGGRHPCWVBM-LLVKDONJSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCN1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030960524 641526103 /nfs/dbraw/zinc/52/61/03/641526103.db2.gz UKVYGGRHPCWVBM-NSHDSACASA-N 1 0 235.331 -0.238 20 30 BBEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(CC#N)C1 ZINC001030961283 641527959 /nfs/dbraw/zinc/52/79/59/641527959.db2.gz STVMSFRWOQCPLB-GXSJLCMTSA-N 1 0 236.319 -0.492 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(CC#N)C1 ZINC001030961284 641527804 /nfs/dbraw/zinc/52/78/04/641527804.db2.gz STVMSFRWOQCPLB-KOLCDFICSA-N 1 0 236.319 -0.492 20 30 BBEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(CC#N)C1 ZINC001030961285 641527404 /nfs/dbraw/zinc/52/74/04/641527404.db2.gz STVMSFRWOQCPLB-MWLCHTKSSA-N 1 0 236.319 -0.492 20 30 BBEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(CC#N)C1 ZINC001030961286 641526902 /nfs/dbraw/zinc/52/69/02/641526902.db2.gz STVMSFRWOQCPLB-ONGXEEELSA-N 1 0 236.319 -0.492 20 30 BBEDRO C#CCN1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031252395 641862474 /nfs/dbraw/zinc/86/24/74/641862474.db2.gz FTCVHBKAJRWKMX-LLVKDONJSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCN1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031252397 641861633 /nfs/dbraw/zinc/86/16/33/641861633.db2.gz FTCVHBKAJRWKMX-NSHDSACASA-N 1 0 235.331 -0.238 20 30 BBEDRO C[N@@H+]1CC[C@@H](CC(=O)NC2CN(CC#N)C2)C1 ZINC001031254266 641863916 /nfs/dbraw/zinc/86/39/16/641863916.db2.gz YECCTPUEZAAWLQ-JTQLQIEISA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@H](CC(=O)NC2CN(CC#N)C2)C1 ZINC001031254269 641862890 /nfs/dbraw/zinc/86/28/90/641862890.db2.gz YECCTPUEZAAWLQ-SNVBAGLBSA-N 1 0 236.319 -0.348 20 30 BBEDRO CC#CCN1CC(NC(=O)Cc2cncn2C)C1 ZINC001031258611 641867018 /nfs/dbraw/zinc/86/70/18/641867018.db2.gz NZEQRAJKICCLBR-UHFFFAOYSA-N 1 0 246.314 -0.214 20 30 BBEDRO CC#CCN1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263601 641870001 /nfs/dbraw/zinc/87/00/01/641870001.db2.gz RPUSRMZSGIBHLJ-UHFFFAOYSA-N 1 0 247.342 -0.094 20 30 BBEDRO C#CCN1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031264177 641869412 /nfs/dbraw/zinc/86/94/12/641869412.db2.gz MOINDVPBOYLRGX-UHFFFAOYSA-N 1 0 233.315 -0.484 20 30 BBEDRO N#CCN1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031264340 641868626 /nfs/dbraw/zinc/86/86/26/641868626.db2.gz OBMXHQSCXURXEN-UHFFFAOYSA-N 1 0 234.303 -0.594 20 30 BBEDRO C#CCCN1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031266219 641869636 /nfs/dbraw/zinc/86/96/36/641869636.db2.gz OXKZNNHEQOXWQP-UHFFFAOYSA-N 1 0 247.342 -0.094 20 30 BBEDRO C#CCCN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031382374 642043564 /nfs/dbraw/zinc/04/35/64/642043564.db2.gz SBHJTNMZCLIGLS-LLVKDONJSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCCN1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031382375 642042389 /nfs/dbraw/zinc/04/23/89/642042389.db2.gz SBHJTNMZCLIGLS-NSHDSACASA-N 1 0 235.331 -0.238 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)NC2CN(CC#N)C2)C1 ZINC001031383825 642041294 /nfs/dbraw/zinc/04/12/94/642041294.db2.gz OCWDPDWSUVEKER-SECBINFHSA-N 1 0 222.292 -0.738 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)NC2CN(CC#N)C2)C1 ZINC001031383826 642040897 /nfs/dbraw/zinc/04/08/97/642040897.db2.gz OCWDPDWSUVEKER-VIFPVBQESA-N 1 0 222.292 -0.738 20 30 BBEDRO C=CCN1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031383827 642040009 /nfs/dbraw/zinc/04/00/09/642040009.db2.gz OEMHKPKOLLESBY-JTQLQIEISA-N 1 0 223.320 -0.076 20 30 BBEDRO C=CCN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031383828 642041089 /nfs/dbraw/zinc/04/10/89/642041089.db2.gz OEMHKPKOLLESBY-SNVBAGLBSA-N 1 0 223.320 -0.076 20 30 BBEDRO C#CCN1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031384103 642050184 /nfs/dbraw/zinc/05/01/84/642050184.db2.gz XEXXXXOYHIORLZ-JTQLQIEISA-N 1 0 221.304 -0.628 20 30 BBEDRO C#CCN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031384104 642049853 /nfs/dbraw/zinc/04/98/53/642049853.db2.gz XEXXXXOYHIORLZ-SNVBAGLBSA-N 1 0 221.304 -0.628 20 30 BBEDRO CC#CCN1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031384394 642050136 /nfs/dbraw/zinc/05/01/36/642050136.db2.gz FHLQVOAOMQTWEC-LLVKDONJSA-N 1 0 235.331 -0.238 20 30 BBEDRO CC#CCN1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031384395 642048869 /nfs/dbraw/zinc/04/88/69/642048869.db2.gz FHLQVOAOMQTWEC-NSHDSACASA-N 1 0 235.331 -0.238 20 30 BBEDRO N#CCN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031388731 711874777 /nfs/dbraw/zinc/87/47/77/711874777.db2.gz MMPFIDWYRMIZKP-UHFFFAOYSA-N 1 0 222.292 -0.594 20 30 BBEDRO C#CCN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031388749 711874903 /nfs/dbraw/zinc/87/49/03/711874903.db2.gz NLEAQADVXJHHHM-UHFFFAOYSA-N 1 0 221.304 -0.484 20 30 BBEDRO CC#CCN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031390864 642059847 /nfs/dbraw/zinc/05/98/47/642059847.db2.gz VCAIHRKHGYWEGG-UHFFFAOYSA-N 1 0 235.331 -0.094 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001031554661 642298894 /nfs/dbraw/zinc/29/88/94/642298894.db2.gz FGPIVWUSDHOAEF-LLVKDONJSA-N 1 0 240.303 -0.364 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001031554662 642299379 /nfs/dbraw/zinc/29/93/79/642299379.db2.gz FGPIVWUSDHOAEF-NSHDSACASA-N 1 0 240.303 -0.364 20 30 BBEDRO C#CCN1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031577276 642332191 /nfs/dbraw/zinc/33/21/91/642332191.db2.gz KMMDTJFOLNOKTD-GFCCVEGCSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031577277 642331250 /nfs/dbraw/zinc/33/12/50/642331250.db2.gz KMMDTJFOLNOKTD-LBPRGKRZSA-N 1 0 235.331 -0.238 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CC#N)C1 ZINC001031578131 642332171 /nfs/dbraw/zinc/33/21/71/642332171.db2.gz UNCVCBDQWVMXHI-LLVKDONJSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC#N)C1 ZINC001031578133 642331806 /nfs/dbraw/zinc/33/18/06/642331806.db2.gz UNCVCBDQWVMXHI-NSHDSACASA-N 1 0 236.319 -0.348 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031583200 642333906 /nfs/dbraw/zinc/33/39/06/642333906.db2.gz MABAUYYMVUFAAG-SNVBAGLBSA-N 1 0 237.303 -0.501 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031584560 642337243 /nfs/dbraw/zinc/33/72/43/642337243.db2.gz GDAUKGBTXHEPET-LLVKDONJSA-N 1 0 249.314 -0.664 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2nnn(C)c2C)C1 ZINC001031592353 642347849 /nfs/dbraw/zinc/34/78/49/642347849.db2.gz IDYBCNZMZOFWCW-UHFFFAOYSA-N 1 0 249.318 -0.029 20 30 BBEDRO N#Cc1c[nH]c(C(=O)NCC2C[NH+](CCO)C2)c1 ZINC001031602580 642364854 /nfs/dbraw/zinc/36/48/54/642364854.db2.gz HVSRSCLEZDWURU-UHFFFAOYSA-N 1 0 248.286 -0.460 20 30 BBEDRO N#Cc1ccc(C(=O)NCC2C[NH+](CCO)C2)[nH]1 ZINC001031619027 642390661 /nfs/dbraw/zinc/39/06/61/642390661.db2.gz IBURQGBPQMZCFO-UHFFFAOYSA-N 1 0 248.286 -0.460 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2cnn(C)c2N)C1 ZINC001031628360 711880034 /nfs/dbraw/zinc/88/00/34/711880034.db2.gz IXMSWFYFGRACEX-UHFFFAOYSA-N 1 0 249.318 -0.150 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2cnnn2C)C1 ZINC001031642957 642434058 /nfs/dbraw/zinc/43/40/58/642434058.db2.gz GPCPPUGMNKEIHI-UHFFFAOYSA-N 1 0 235.291 -0.337 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)c2cnnn2C)C1 ZINC001031645524 642438745 /nfs/dbraw/zinc/43/87/45/642438745.db2.gz KSGORYZBCWLIJF-UHFFFAOYSA-N 1 0 247.302 -0.500 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031646690 642439554 /nfs/dbraw/zinc/43/95/54/642439554.db2.gz FDQSHEFTAZEKHO-SECBINFHSA-N 1 0 239.275 -0.671 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031646691 642438441 /nfs/dbraw/zinc/43/84/41/642438441.db2.gz FDQSHEFTAZEKHO-VIFPVBQESA-N 1 0 239.275 -0.671 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001031648253 642444483 /nfs/dbraw/zinc/44/44/83/642444483.db2.gz KUVQVGBVASYCRB-UHFFFAOYSA-N 1 0 235.291 -0.337 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031650031 642447922 /nfs/dbraw/zinc/44/79/22/642447922.db2.gz RRNYETXOLVQQQX-UHFFFAOYSA-N 1 0 235.291 -0.337 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001031651175 642464744 /nfs/dbraw/zinc/46/47/44/642464744.db2.gz CJDQFLALUXNFRW-UHFFFAOYSA-N 1 0 247.302 -0.500 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031651542 642464446 /nfs/dbraw/zinc/46/44/46/642464446.db2.gz WCECKYPBDWXKGJ-UHFFFAOYSA-N 1 0 247.302 -0.500 20 30 BBEDRO C#CCN1CC(CNC(=O)c2cnn(CC)n2)C1 ZINC001031653275 642464829 /nfs/dbraw/zinc/46/48/29/642464829.db2.gz GSJCOGVYCMIJPZ-UHFFFAOYSA-N 1 0 247.302 -0.407 20 30 BBEDRO C#CCN1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001031656904 642487870 /nfs/dbraw/zinc/48/78/70/642487870.db2.gz LEJCVVQSKBJIPS-UHFFFAOYSA-N 1 0 218.260 -0.296 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031661544 642514337 /nfs/dbraw/zinc/51/43/37/642514337.db2.gz AYWGKCIPQWQWFC-NXEZZACHSA-N 1 0 239.275 -0.114 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001031805308 642859898 /nfs/dbraw/zinc/85/98/98/642859898.db2.gz MNTDFGWISNBPMN-UHFFFAOYSA-N 1 0 221.264 -0.348 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001031807698 642861251 /nfs/dbraw/zinc/86/12/51/642861251.db2.gz ACXOYVPOHVPPFJ-UHFFFAOYSA-N 1 0 233.275 -0.510 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2[nH]nnc2C)C1 ZINC001031889913 642997746 /nfs/dbraw/zinc/99/77/46/642997746.db2.gz XUHDFQDMHWYMLB-UHFFFAOYSA-N 1 0 235.291 -0.039 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)c2[nH]nnc2C)C1 ZINC001031894875 643004526 /nfs/dbraw/zinc/00/45/26/643004526.db2.gz XFEKLYOHCDBPOO-UHFFFAOYSA-N 1 0 247.302 -0.202 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031896698 643014064 /nfs/dbraw/zinc/01/40/64/643014064.db2.gz ISMJMMKVBHHCCZ-JTQLQIEISA-N 1 0 237.303 -0.644 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031896699 643012788 /nfs/dbraw/zinc/01/27/88/643012788.db2.gz ISMJMMKVBHHCCZ-SNVBAGLBSA-N 1 0 237.303 -0.644 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031903100 643024380 /nfs/dbraw/zinc/02/43/80/643024380.db2.gz UQXACQFCLPPCND-LLVKDONJSA-N 1 0 249.314 -0.806 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031903101 643023237 /nfs/dbraw/zinc/02/32/37/643023237.db2.gz UQXACQFCLPPCND-NSHDSACASA-N 1 0 249.314 -0.806 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001031904777 643027840 /nfs/dbraw/zinc/02/78/40/643027840.db2.gz KTSQKGSRQTXCHI-UHFFFAOYSA-N 1 0 236.279 -0.942 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001031911871 643044719 /nfs/dbraw/zinc/04/47/19/643044719.db2.gz FKERFMXSAGKSQM-ITGUQSILSA-N 1 0 248.326 -0.050 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001031931601 643073889 /nfs/dbraw/zinc/07/38/89/643073889.db2.gz RZAFEZLNHNZQEQ-UHFFFAOYSA-N 1 0 248.286 -0.383 20 30 BBEDRO C#CCN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031978284 643147779 /nfs/dbraw/zinc/14/77/79/643147779.db2.gz ROYZLAFJLWTSHT-AAEUAGOBSA-N 1 0 249.358 -0.135 20 30 BBEDRO C#CCN1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031978286 643148711 /nfs/dbraw/zinc/14/87/11/643148711.db2.gz ROYZLAFJLWTSHT-DGCLKSJQSA-N 1 0 249.358 -0.135 20 30 BBEDRO C#CCN1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031978289 643148036 /nfs/dbraw/zinc/14/80/36/643148036.db2.gz ROYZLAFJLWTSHT-WCQYABFASA-N 1 0 249.358 -0.135 20 30 BBEDRO C#CCN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031978292 643148390 /nfs/dbraw/zinc/14/83/90/643148390.db2.gz ROYZLAFJLWTSHT-YPMHNXCESA-N 1 0 249.358 -0.135 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001032047460 643213651 /nfs/dbraw/zinc/21/36/51/643213651.db2.gz APEKGCBYUGSPFP-UHFFFAOYSA-N 1 0 235.291 -0.337 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)c2nnc[nH]2)C1 ZINC001032058410 711901675 /nfs/dbraw/zinc/90/16/75/711901675.db2.gz WLRHDAOXSXWNHC-UHFFFAOYSA-N 1 0 233.275 -0.510 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2nnc[nH]2)C1 ZINC001032060003 643219210 /nfs/dbraw/zinc/21/92/10/643219210.db2.gz DFWBNHGHQRGBDM-UHFFFAOYSA-N 1 0 221.264 -0.348 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032063298 643224248 /nfs/dbraw/zinc/22/42/48/643224248.db2.gz UKFRQKYKZXSQBF-UHFFFAOYSA-N 1 0 234.259 -0.246 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032063835 643225563 /nfs/dbraw/zinc/22/55/63/643225563.db2.gz RRXYHNGHHTZGQC-UHFFFAOYSA-N 1 0 222.248 -0.083 20 30 BBEDRO C#CCN1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130051 711904359 /nfs/dbraw/zinc/90/43/59/711904359.db2.gz FFPQELFIVBMFOY-UHFFFAOYSA-N 1 0 247.342 -0.237 20 30 BBEDRO N#CCN1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130506 711904380 /nfs/dbraw/zinc/90/43/80/711904380.db2.gz SSVOENLALKGXPR-UHFFFAOYSA-N 1 0 248.330 -0.346 20 30 BBEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032136921 643273785 /nfs/dbraw/zinc/27/37/85/643273785.db2.gz GDAUKGBTXHEPET-NSHDSACASA-N 1 0 249.314 -0.664 20 30 BBEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032138120 643273998 /nfs/dbraw/zinc/27/39/98/643273998.db2.gz MABAUYYMVUFAAG-JTQLQIEISA-N 1 0 237.303 -0.501 20 30 BBEDRO C#CCN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182124 711905493 /nfs/dbraw/zinc/90/54/93/711905493.db2.gz FNHFNVGWIULAGM-GFCCVEGCSA-N 1 0 235.331 -0.381 20 30 BBEDRO C#CCN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182125 711905469 /nfs/dbraw/zinc/90/54/69/711905469.db2.gz FNHFNVGWIULAGM-LBPRGKRZSA-N 1 0 235.331 -0.381 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(CC#N)C2)C1 ZINC001032182168 711905427 /nfs/dbraw/zinc/90/54/27/711905427.db2.gz FZNYNGJYYVGHOL-LLVKDONJSA-N 1 0 236.319 -0.490 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)NCC2CN(CC#N)C2)C1 ZINC001032182169 711905417 /nfs/dbraw/zinc/90/54/17/711905417.db2.gz FZNYNGJYYVGHOL-NSHDSACASA-N 1 0 236.319 -0.490 20 30 BBEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC ZINC001032237219 643382455 /nfs/dbraw/zinc/38/24/55/643382455.db2.gz YGMBDJAGDOHIQF-QWRGUYRKSA-N 1 0 222.288 -0.059 20 30 BBEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C ZINC001032309678 643489848 /nfs/dbraw/zinc/48/98/48/643489848.db2.gz SLYSYIUTKSCPQI-QWRGUYRKSA-N 1 0 244.298 -0.048 20 30 BBEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001032312917 643490025 /nfs/dbraw/zinc/49/00/25/643490025.db2.gz BNHXWJWDQMRUKE-AVGNSLFASA-N 1 0 247.342 -0.001 20 30 BBEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032312918 643489713 /nfs/dbraw/zinc/48/97/13/643489713.db2.gz BNHXWJWDQMRUKE-RWMBFGLXSA-N 1 0 247.342 -0.001 20 30 BBEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032313494 643491084 /nfs/dbraw/zinc/49/10/84/643491084.db2.gz MEPRCZICDSWBOJ-SDDRHHMPSA-N 1 0 248.330 -0.111 20 30 BBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC#N ZINC001032313495 643491624 /nfs/dbraw/zinc/49/16/24/643491624.db2.gz MEPRCZICDSWBOJ-SRVKXCTJSA-N 1 0 248.330 -0.111 20 30 BBEDRO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032323539 643502996 /nfs/dbraw/zinc/50/29/96/643502996.db2.gz GSXICZSINZYIIQ-UWVGGRQHSA-N 1 0 237.303 -0.277 20 30 BBEDRO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324257 643505158 /nfs/dbraw/zinc/50/51/58/643505158.db2.gz BFPOMQYRKQZUTC-UWVGGRQHSA-N 1 0 237.303 -0.277 20 30 BBEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032324578 643503218 /nfs/dbraw/zinc/50/32/18/643503218.db2.gz MQPZJRHBXJBRCM-UWVGGRQHSA-N 1 0 235.287 -0.830 20 30 BBEDRO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001032598211 711928164 /nfs/dbraw/zinc/92/81/64/711928164.db2.gz XMTRPBCQWUDBBG-UWVGGRQHSA-N 1 0 237.303 -0.277 20 30 BBEDRO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001032598946 711928433 /nfs/dbraw/zinc/92/84/33/711928433.db2.gz WQIFHWROURLBMT-IUCAKERBSA-N 1 0 223.276 -0.667 20 30 BBEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032782066 711939008 /nfs/dbraw/zinc/93/90/08/711939008.db2.gz SOLRJFLCXITPIO-AGIUHOORSA-N 1 0 247.342 -0.144 20 30 BBEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032782067 711938598 /nfs/dbraw/zinc/93/85/98/711938598.db2.gz SOLRJFLCXITPIO-AVGNSLFASA-N 1 0 247.342 -0.144 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)C1 ZINC001032782213 711938652 /nfs/dbraw/zinc/93/86/52/711938652.db2.gz YKVZEYYGYJKAFC-SRVKXCTJSA-N 1 0 248.330 -0.253 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)C1 ZINC001032782214 711938502 /nfs/dbraw/zinc/93/85/02/711938502.db2.gz YKVZEYYGYJKAFC-WOPDTQHZSA-N 1 0 248.330 -0.253 20 30 BBEDRO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783650 711939025 /nfs/dbraw/zinc/93/90/25/711939025.db2.gz KQWQTPWZNVGUIN-RYUDHWBXSA-N 1 0 248.330 -0.109 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001032965166 711970297 /nfs/dbraw/zinc/97/02/97/711970297.db2.gz UTHZGVPCZWPVAB-GHMZBOCLSA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001032965176 711970426 /nfs/dbraw/zinc/97/04/26/711970426.db2.gz UTHZGVPCZWPVAB-WDEREUQCSA-N 1 0 249.314 -0.569 20 30 BBEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001033119020 711977323 /nfs/dbraw/zinc/97/73/23/711977323.db2.gz JREFOOUPWKWBLP-LLVKDONJSA-N 1 0 249.318 -0.003 20 30 BBEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)Cn2nccn2)C1 ZINC001033119022 711977141 /nfs/dbraw/zinc/97/71/41/711977141.db2.gz JREFOOUPWKWBLP-NSHDSACASA-N 1 0 249.318 -0.003 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001033120222 711977228 /nfs/dbraw/zinc/97/72/28/711977228.db2.gz UVCPQWNGYNHIBJ-LLVKDONJSA-N 1 0 247.302 -0.556 20 30 BBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2nccn2)C1 ZINC001033120223 711977291 /nfs/dbraw/zinc/97/72/91/711977291.db2.gz UVCPQWNGYNHIBJ-NSHDSACASA-N 1 0 247.302 -0.556 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001033320273 711982410 /nfs/dbraw/zinc/98/24/10/711982410.db2.gz UIBFMPAQUDQJHT-GHMZBOCLSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001033320276 711982172 /nfs/dbraw/zinc/98/21/72/711982172.db2.gz UIBFMPAQUDQJHT-MNOVXSKESA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001033320279 711982124 /nfs/dbraw/zinc/98/21/24/711982124.db2.gz UIBFMPAQUDQJHT-QWRGUYRKSA-N 1 0 249.314 -0.712 20 30 BBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001033320280 711982336 /nfs/dbraw/zinc/98/23/36/711982336.db2.gz UIBFMPAQUDQJHT-WDEREUQCSA-N 1 0 249.314 -0.712 20 30 BBEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033374261 711988154 /nfs/dbraw/zinc/98/81/54/711988154.db2.gz UXMICJCSSNZKKR-MRVPVSSYSA-N 1 0 211.265 -0.810 20 30 BBEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033374262 711988129 /nfs/dbraw/zinc/98/81/29/711988129.db2.gz UXMICJCSSNZKKR-QMMMGPOBSA-N 1 0 211.265 -0.810 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033375080 711988107 /nfs/dbraw/zinc/98/81/07/711988107.db2.gz BEWKFBCCZALYTM-SECBINFHSA-N 1 0 223.276 -0.972 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033375081 711988320 /nfs/dbraw/zinc/98/83/20/711988320.db2.gz BEWKFBCCZALYTM-VIFPVBQESA-N 1 0 223.276 -0.972 20 30 BBEDRO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033375136 711988296 /nfs/dbraw/zinc/98/82/96/711988296.db2.gz CEVVYPHTCRPCOJ-JTQLQIEISA-N 1 0 239.319 -0.029 20 30 BBEDRO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033375139 711988087 /nfs/dbraw/zinc/98/80/87/711988087.db2.gz CEVVYPHTCRPCOJ-SNVBAGLBSA-N 1 0 239.319 -0.029 20 30 BBEDRO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033379132 711988430 /nfs/dbraw/zinc/98/84/30/711988430.db2.gz SIQANZCITRHVGM-SECBINFHSA-N 1 0 225.292 -0.420 20 30 BBEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033379133 711988169 /nfs/dbraw/zinc/98/81/69/711988169.db2.gz SIQANZCITRHVGM-VIFPVBQESA-N 1 0 225.292 -0.420 20 30 BBEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033382632 711989113 /nfs/dbraw/zinc/98/91/13/711989113.db2.gz FVIROCKOEYYVNT-SECBINFHSA-N 1 0 225.292 -0.420 20 30 BBEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033382636 711989134 /nfs/dbraw/zinc/98/91/34/711989134.db2.gz FVIROCKOEYYVNT-VIFPVBQESA-N 1 0 225.292 -0.420 20 30 BBEDRO CC#CCN1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033383303 711988980 /nfs/dbraw/zinc/98/89/80/711988980.db2.gz JFTPQFMTBPBAGF-SECBINFHSA-N 1 0 223.276 -0.972 20 30 BBEDRO CC#CCN1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033383306 711989365 /nfs/dbraw/zinc/98/93/65/711989365.db2.gz JFTPQFMTBPBAGF-VIFPVBQESA-N 1 0 223.276 -0.972 20 30 BBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001033429534 711990010 /nfs/dbraw/zinc/99/00/10/711990010.db2.gz OIWRYAAMHGGAPR-AXFHLTTASA-N 1 0 249.314 -0.726 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001033429535 711989915 /nfs/dbraw/zinc/98/99/15/711989915.db2.gz OIWRYAAMHGGAPR-MXWKQRLJSA-N 1 0 249.314 -0.726 20 30 BBEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033514702 711998323 /nfs/dbraw/zinc/99/83/23/711998323.db2.gz YPAQUXXMUPZHPJ-JTQLQIEISA-N 1 0 247.302 -0.026 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033514703 711998416 /nfs/dbraw/zinc/99/84/16/711998416.db2.gz YPAQUXXMUPZHPJ-SNVBAGLBSA-N 1 0 247.302 -0.026 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001033597259 712006018 /nfs/dbraw/zinc/00/60/18/712006018.db2.gz UTHZGVPCZWPVAB-MNOVXSKESA-N 1 0 249.314 -0.569 20 30 BBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001033597262 712005995 /nfs/dbraw/zinc/00/59/95/712005995.db2.gz UTHZGVPCZWPVAB-QWRGUYRKSA-N 1 0 249.314 -0.569 20 30 BBEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033639256 712009924 /nfs/dbraw/zinc/00/99/24/712009924.db2.gz BGINVNKHAAFETJ-LLVKDONJSA-N 1 0 249.318 -0.003 20 30 BBEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033639257 712009873 /nfs/dbraw/zinc/00/98/73/712009873.db2.gz BGINVNKHAAFETJ-NSHDSACASA-N 1 0 249.318 -0.003 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033639431 712009819 /nfs/dbraw/zinc/00/98/19/712009819.db2.gz DKIQBPABGMXNSK-LLVKDONJSA-N 1 0 247.302 -0.556 20 30 BBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033639433 712009860 /nfs/dbraw/zinc/00/98/60/712009860.db2.gz DKIQBPABGMXNSK-NSHDSACASA-N 1 0 247.302 -0.556 20 30 BBEDRO C#CCC[N@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034372912 712061316 /nfs/dbraw/zinc/06/13/16/712061316.db2.gz QXORVSGAUHESKP-JTQLQIEISA-N 1 0 237.303 -0.534 20 30 BBEDRO C#CCC[N@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034372913 712061394 /nfs/dbraw/zinc/06/13/94/712061394.db2.gz QXORVSGAUHESKP-SNVBAGLBSA-N 1 0 237.303 -0.534 20 30 BBEDRO C=CC[N@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034375144 712061254 /nfs/dbraw/zinc/06/12/54/712061254.db2.gz LLBKAHKPNWFNQD-SECBINFHSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CC[N@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034375145 712061167 /nfs/dbraw/zinc/06/11/67/712061167.db2.gz LLBKAHKPNWFNQD-VIFPVBQESA-N 1 0 225.292 -0.372 20 30 BBEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001034718596 712081868 /nfs/dbraw/zinc/08/18/68/712081868.db2.gz IDSVDUUDQAWXGO-KYZUINATSA-N 1 0 223.276 -0.878 20 30 BBEDRO C=CC[NH2+][C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001034719616 712081866 /nfs/dbraw/zinc/08/18/66/712081866.db2.gz VKSDMRMJZOISRS-KYZUINATSA-N 1 0 225.292 -0.325 20 30 BBEDRO C#CC[N@H+]1CCC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035218068 712121606 /nfs/dbraw/zinc/12/16/06/712121606.db2.gz CMJRLXPCOBKKDC-UHFFFAOYSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)CC(N)=O)CC2 ZINC001035673401 712139626 /nfs/dbraw/zinc/13/96/26/712139626.db2.gz NDAQOQSIJGJDBE-UHFFFAOYSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CCC[NH+]1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035781398 712143439 /nfs/dbraw/zinc/14/34/39/712143439.db2.gz XGCRPXNLQAFGPM-UHFFFAOYSA-N 1 0 249.314 -0.581 20 30 BBEDRO CC#CC[NH+]1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035782629 712143165 /nfs/dbraw/zinc/14/31/65/712143165.db2.gz GWMQQBWJLOSMEM-UHFFFAOYSA-N 1 0 249.314 -0.581 20 30 BBEDRO C=CC[NH+]1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035783054 712143226 /nfs/dbraw/zinc/14/32/26/712143226.db2.gz UZOIKPCYZLWTIQ-UHFFFAOYSA-N 1 0 237.303 -0.418 20 30 BBEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035783138 712143191 /nfs/dbraw/zinc/14/31/91/712143191.db2.gz WKQVAZUYTDOWPJ-UHFFFAOYSA-N 1 0 235.287 -0.971 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001035954809 712152155 /nfs/dbraw/zinc/15/21/55/712152155.db2.gz CHESDHOJPKYRFO-NXEZZACHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001035954810 712152118 /nfs/dbraw/zinc/15/21/18/712152118.db2.gz CHESDHOJPKYRFO-UWVGGRQHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001035954811 712152193 /nfs/dbraw/zinc/15/21/93/712152193.db2.gz CHESDHOJPKYRFO-VHSXEESVSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001035954812 712152058 /nfs/dbraw/zinc/15/20/58/712152058.db2.gz CHESDHOJPKYRFO-ZJUUUORDSA-N 1 0 237.303 -0.678 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001035959802 712152145 /nfs/dbraw/zinc/15/21/45/712152145.db2.gz RIPAUYUOQMSUPG-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001035959807 712151747 /nfs/dbraw/zinc/15/17/47/712151747.db2.gz RIPAUYUOQMSUPG-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001035959812 712152134 /nfs/dbraw/zinc/15/21/34/712152134.db2.gz RIPAUYUOQMSUPG-VHSXEESVSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001035959816 712152063 /nfs/dbraw/zinc/15/20/63/712152063.db2.gz RIPAUYUOQMSUPG-ZJUUUORDSA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001036091162 712155879 /nfs/dbraw/zinc/15/58/79/712155879.db2.gz RJVKRVVLYOXROV-NXEZZACHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001036091163 712155860 /nfs/dbraw/zinc/15/58/60/712155860.db2.gz RJVKRVVLYOXROV-UWVGGRQHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001036091164 712155874 /nfs/dbraw/zinc/15/58/74/712155874.db2.gz RJVKRVVLYOXROV-VHSXEESVSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001036091167 712155955 /nfs/dbraw/zinc/15/59/55/712155955.db2.gz RJVKRVVLYOXROV-ZJUUUORDSA-N 1 0 247.302 -0.122 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001036162867 712162414 /nfs/dbraw/zinc/16/24/14/712162414.db2.gz WCGZOSOFOMVFGQ-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001036162868 712162388 /nfs/dbraw/zinc/16/23/88/712162388.db2.gz WCGZOSOFOMVFGQ-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001036162869 712162253 /nfs/dbraw/zinc/16/22/53/712162253.db2.gz WCGZOSOFOMVFGQ-VHSXEESVSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001036162870 712162217 /nfs/dbraw/zinc/16/22/17/712162217.db2.gz WCGZOSOFOMVFGQ-ZJUUUORDSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001036167583 712163509 /nfs/dbraw/zinc/16/35/09/712163509.db2.gz UGEOTAVAVWSVBW-BDAKNGLRSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001036167585 712163634 /nfs/dbraw/zinc/16/36/34/712163634.db2.gz UGEOTAVAVWSVBW-DTWKUNHWSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001036167586 712163593 /nfs/dbraw/zinc/16/35/93/712163593.db2.gz UGEOTAVAVWSVBW-IUCAKERBSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001036167587 712163425 /nfs/dbraw/zinc/16/34/25/712163425.db2.gz UGEOTAVAVWSVBW-RKDXNWHRSA-N 1 0 225.292 -0.516 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001036219113 712164650 /nfs/dbraw/zinc/16/46/50/712164650.db2.gz MSHAJKQEJSUYTJ-NXEZZACHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001036219114 712164687 /nfs/dbraw/zinc/16/46/87/712164687.db2.gz MSHAJKQEJSUYTJ-UWVGGRQHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001036219115 712164929 /nfs/dbraw/zinc/16/49/29/712164929.db2.gz MSHAJKQEJSUYTJ-VHSXEESVSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001036219116 712165027 /nfs/dbraw/zinc/16/50/27/712165027.db2.gz MSHAJKQEJSUYTJ-ZJUUUORDSA-N 1 0 247.302 -0.122 20 30 BBEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036803863 712501986 /nfs/dbraw/zinc/50/19/86/712501986.db2.gz ABHJOQCOGBXBJU-NXEZZACHSA-N 1 0 237.303 -0.420 20 30 BBEDRO C=CC[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036803864 712502002 /nfs/dbraw/zinc/50/20/02/712502002.db2.gz ABHJOQCOGBXBJU-UWVGGRQHSA-N 1 0 237.303 -0.420 20 30 BBEDRO C=CC[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036803865 712501854 /nfs/dbraw/zinc/50/18/54/712501854.db2.gz ABHJOQCOGBXBJU-VHSXEESVSA-N 1 0 237.303 -0.420 20 30 BBEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036803866 712501944 /nfs/dbraw/zinc/50/19/44/712501944.db2.gz ABHJOQCOGBXBJU-ZJUUUORDSA-N 1 0 237.303 -0.420 20 30 BBEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036805479 712502412 /nfs/dbraw/zinc/50/24/12/712502412.db2.gz ZXLLTCCILQCQKY-NXEZZACHSA-N 1 0 235.287 -0.972 20 30 BBEDRO C#CC[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036805480 712502225 /nfs/dbraw/zinc/50/22/25/712502225.db2.gz ZXLLTCCILQCQKY-UWVGGRQHSA-N 1 0 235.287 -0.972 20 30 BBEDRO C#CC[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036805481 712502423 /nfs/dbraw/zinc/50/24/23/712502423.db2.gz ZXLLTCCILQCQKY-VHSXEESVSA-N 1 0 235.287 -0.972 20 30 BBEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036805482 712502631 /nfs/dbraw/zinc/50/26/31/712502631.db2.gz ZXLLTCCILQCQKY-ZJUUUORDSA-N 1 0 235.287 -0.972 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036807003 712498421 /nfs/dbraw/zinc/49/84/21/712498421.db2.gz XAAAZLSRMJDHBO-GHMZBOCLSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036807004 712498405 /nfs/dbraw/zinc/49/84/05/712498405.db2.gz XAAAZLSRMJDHBO-MNOVXSKESA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036807005 712498295 /nfs/dbraw/zinc/49/82/95/712498295.db2.gz XAAAZLSRMJDHBO-QWRGUYRKSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036807006 712498254 /nfs/dbraw/zinc/49/82/54/712498254.db2.gz XAAAZLSRMJDHBO-WDEREUQCSA-N 1 0 249.314 -0.582 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036807795 712499829 /nfs/dbraw/zinc/49/98/29/712499829.db2.gz JDDUMOWBXQLGGE-GHMZBOCLSA-N 1 0 249.314 -0.582 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036807796 712500087 /nfs/dbraw/zinc/50/00/87/712500087.db2.gz JDDUMOWBXQLGGE-MNOVXSKESA-N 1 0 249.314 -0.582 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036807797 712499906 /nfs/dbraw/zinc/49/99/06/712499906.db2.gz JDDUMOWBXQLGGE-QWRGUYRKSA-N 1 0 249.314 -0.582 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036807798 712499718 /nfs/dbraw/zinc/49/97/18/712499718.db2.gz JDDUMOWBXQLGGE-WDEREUQCSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CC ZINC001037909020 712891722 /nfs/dbraw/zinc/89/17/22/712891722.db2.gz BKXYKDKWLGNJGF-NXEZZACHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CC ZINC001037909026 712891583 /nfs/dbraw/zinc/89/15/83/712891583.db2.gz BKXYKDKWLGNJGF-UWVGGRQHSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CC ZINC001037909030 712891741 /nfs/dbraw/zinc/89/17/41/712891741.db2.gz BKXYKDKWLGNJGF-VHSXEESVSA-N 1 0 237.303 -0.678 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(N)=O)C[C@H]1CC ZINC001037909035 712891401 /nfs/dbraw/zinc/89/14/01/712891401.db2.gz BKXYKDKWLGNJGF-ZJUUUORDSA-N 1 0 237.303 -0.678 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CC ZINC001037914642 712891707 /nfs/dbraw/zinc/89/17/07/712891707.db2.gz UEGDAPSIKAQHMZ-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CC ZINC001037914643 712891391 /nfs/dbraw/zinc/89/13/91/712891391.db2.gz UEGDAPSIKAQHMZ-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CC ZINC001037914645 712891739 /nfs/dbraw/zinc/89/17/39/712891739.db2.gz UEGDAPSIKAQHMZ-VHSXEESVSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(N)=O)C[C@H]1CC ZINC001037914648 712891402 /nfs/dbraw/zinc/89/14/02/712891402.db2.gz UEGDAPSIKAQHMZ-ZJUUUORDSA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CCN1CC[C@@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001038027748 712899783 /nfs/dbraw/zinc/89/97/83/712899783.db2.gz NWNRAGFODLHBHB-SECBINFHSA-N 1 0 246.270 -0.381 20 30 BBEDRO C#CCN1CC[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001038027751 712899692 /nfs/dbraw/zinc/89/96/92/712899692.db2.gz NWNRAGFODLHBHB-VIFPVBQESA-N 1 0 246.270 -0.381 20 30 BBEDRO C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038097528 711816402 /nfs/dbraw/zinc/81/64/02/711816402.db2.gz ZCFRHOFXNRHHEL-NEPJUHHUSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038097531 711816397 /nfs/dbraw/zinc/81/63/97/711816397.db2.gz ZCFRHOFXNRHHEL-NWDGAFQWSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038097536 711816407 /nfs/dbraw/zinc/81/64/07/711816407.db2.gz ZCFRHOFXNRHHEL-RYUDHWBXSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038097537 711816386 /nfs/dbraw/zinc/81/63/86/711816386.db2.gz ZCFRHOFXNRHHEL-VXGBXAGGSA-N 1 0 235.331 -0.096 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001038121713 711803317 /nfs/dbraw/zinc/80/33/17/711803317.db2.gz ZEBGNDDBMWIKMH-GHMZBOCLSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001038121716 711803322 /nfs/dbraw/zinc/80/33/22/711803322.db2.gz ZEBGNDDBMWIKMH-WDEREUQCSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCN1CC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001038271942 710679896 /nfs/dbraw/zinc/67/98/96/710679896.db2.gz OOZUYOATYCDWIL-GVXVVHGQSA-N 1 0 234.299 -0.153 20 30 BBEDRO C#CCN1CC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001038271943 710681233 /nfs/dbraw/zinc/68/12/33/710681233.db2.gz OOZUYOATYCDWIL-LOWVWBTDSA-N 1 0 234.299 -0.153 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001038590861 711890498 /nfs/dbraw/zinc/89/04/98/711890498.db2.gz FZHUIXOPNMMHDZ-GHMZBOCLSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001038590862 711890471 /nfs/dbraw/zinc/89/04/71/711890471.db2.gz FZHUIXOPNMMHDZ-MNOVXSKESA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001038590863 711890492 /nfs/dbraw/zinc/89/04/92/711890492.db2.gz FZHUIXOPNMMHDZ-QWRGUYRKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001038590864 711890478 /nfs/dbraw/zinc/89/04/78/711890478.db2.gz FZHUIXOPNMMHDZ-WDEREUQCSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038600361 710697115 /nfs/dbraw/zinc/69/71/15/710697115.db2.gz PINXNEIRPUHXTD-NNYUYHANSA-N 1 0 234.299 -0.298 20 30 BBEDRO C#CCN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038600362 710697463 /nfs/dbraw/zinc/69/74/63/710697463.db2.gz PINXNEIRPUHXTD-WYUUTHIRSA-N 1 0 234.299 -0.298 20 30 BBEDRO C#CCCN1CC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001038601937 710697614 /nfs/dbraw/zinc/69/76/14/710697614.db2.gz UGTYKWKRMFYLNK-SECBINFHSA-N 1 0 248.290 -0.963 20 30 BBEDRO C#CCCN1CC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001038601938 710696746 /nfs/dbraw/zinc/69/67/46/710696746.db2.gz UGTYKWKRMFYLNK-VIFPVBQESA-N 1 0 248.290 -0.963 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001038705644 710701609 /nfs/dbraw/zinc/70/16/09/710701609.db2.gz VYCWNGNHMGGTBI-AXFHLTTASA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001038705647 710702193 /nfs/dbraw/zinc/70/21/93/710702193.db2.gz VYCWNGNHMGGTBI-MXWKQRLJSA-N 1 0 249.314 -0.678 20 30 BBEDRO C=CCN1CC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001038801229 710707087 /nfs/dbraw/zinc/70/70/87/710707087.db2.gz FEAXYKYSUOKMKL-SECBINFHSA-N 1 0 235.291 -0.195 20 30 BBEDRO C=CCN1CC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001038801231 710705973 /nfs/dbraw/zinc/70/59/73/710705973.db2.gz FEAXYKYSUOKMKL-VIFPVBQESA-N 1 0 235.291 -0.195 20 30 BBEDRO C#CCN1CC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001038801931 710705883 /nfs/dbraw/zinc/70/58/83/710705883.db2.gz KPVNZDZWXDBROB-SECBINFHSA-N 1 0 233.275 -0.748 20 30 BBEDRO C#CCN1CC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001038801932 710707035 /nfs/dbraw/zinc/70/70/35/710707035.db2.gz KPVNZDZWXDBROB-VIFPVBQESA-N 1 0 233.275 -0.748 20 30 BBEDRO N#CCN1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038911924 710714624 /nfs/dbraw/zinc/71/46/24/710714624.db2.gz AESAHGLYOQMOOS-LLVKDONJSA-N 1 0 248.330 -0.204 20 30 BBEDRO N#CCN1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038911927 710714025 /nfs/dbraw/zinc/71/40/25/710714025.db2.gz AESAHGLYOQMOOS-NSHDSACASA-N 1 0 248.330 -0.204 20 30 BBEDRO C#CCN1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038916061 710713991 /nfs/dbraw/zinc/71/39/91/710713991.db2.gz ZZDJPPZMBRYCFK-GFCCVEGCSA-N 1 0 247.342 -0.094 20 30 BBEDRO C#CCN1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038916063 710714522 /nfs/dbraw/zinc/71/45/22/710714522.db2.gz ZZDJPPZMBRYCFK-LBPRGKRZSA-N 1 0 247.342 -0.094 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001038934555 710714341 /nfs/dbraw/zinc/71/43/41/710714341.db2.gz ZEBGNDDBMWIKMH-MNOVXSKESA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001038934557 710714013 /nfs/dbraw/zinc/71/40/13/710714013.db2.gz ZEBGNDDBMWIKMH-QWRGUYRKSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039014883 710718248 /nfs/dbraw/zinc/71/82/48/710718248.db2.gz GAKRCEPDAFKKLZ-NEPJUHHUSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039014885 710717948 /nfs/dbraw/zinc/71/79/48/710717948.db2.gz GAKRCEPDAFKKLZ-NWDGAFQWSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039014887 710718014 /nfs/dbraw/zinc/71/80/14/710718014.db2.gz GAKRCEPDAFKKLZ-RYUDHWBXSA-N 1 0 235.331 -0.238 20 30 BBEDRO C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039014889 710718105 /nfs/dbraw/zinc/71/81/05/710718105.db2.gz GAKRCEPDAFKKLZ-VXGBXAGGSA-N 1 0 235.331 -0.238 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CC#N)C1 ZINC001039019586 710716561 /nfs/dbraw/zinc/71/65/61/710716561.db2.gz ULFOWVYHWAJMSS-GHMZBOCLSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CC#N)C1 ZINC001039019588 710717842 /nfs/dbraw/zinc/71/78/42/710717842.db2.gz ULFOWVYHWAJMSS-MNOVXSKESA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC#N)C1 ZINC001039019589 710716659 /nfs/dbraw/zinc/71/66/59/710716659.db2.gz ULFOWVYHWAJMSS-QWRGUYRKSA-N 1 0 236.319 -0.348 20 30 BBEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC#N)C1 ZINC001039019591 710718569 /nfs/dbraw/zinc/71/85/69/710718569.db2.gz ULFOWVYHWAJMSS-WDEREUQCSA-N 1 0 236.319 -0.348 20 30 BBEDRO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(N)=O ZINC001039293221 710723598 /nfs/dbraw/zinc/72/35/98/710723598.db2.gz WKATYNLWCFQTAO-FGWVZKOKSA-N 1 0 249.314 -0.393 20 30 BBEDRO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001039348617 710725668 /nfs/dbraw/zinc/72/56/68/710725668.db2.gz XLMLCMIQDURPHF-MNOVXSKESA-N 1 0 249.314 -0.440 20 30 BBEDRO C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426355 710731652 /nfs/dbraw/zinc/73/16/52/710731652.db2.gz CBJMBRBDJKJFDP-MNOVXSKESA-N 1 0 249.314 -0.440 20 30 BBEDRO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039427131 710731711 /nfs/dbraw/zinc/73/17/11/710731711.db2.gz JGWNDUIDSNDARS-ZJUUUORDSA-N 1 0 237.303 -0.277 20 30 BBEDRO C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001040362992 711806696 /nfs/dbraw/zinc/80/66/96/711806696.db2.gz CXZFOVGHUGPIRA-CYBMUJFWSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001040362997 711806611 /nfs/dbraw/zinc/80/66/11/711806611.db2.gz CXZFOVGHUGPIRA-ZDUSSCGKSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CC[NH+]1CCC2(CCN(C(=O)C(N)=O)C2)CC1 ZINC001040828552 710759252 /nfs/dbraw/zinc/75/92/52/710759252.db2.gz MLIPRRZDENJKSG-UHFFFAOYSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001041154230 710763930 /nfs/dbraw/zinc/76/39/30/710763930.db2.gz VGHQZCDAGAEWEH-CYBMUJFWSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CC[N@H+]1CC[C@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001041154231 710764538 /nfs/dbraw/zinc/76/45/38/710764538.db2.gz VGHQZCDAGAEWEH-ZDUSSCGKSA-N 1 0 249.314 -0.581 20 30 BBEDRO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041612263 710767757 /nfs/dbraw/zinc/76/77/57/710767757.db2.gz ILOSLACMZMNBBP-GFCCVEGCSA-N 1 0 237.303 -0.418 20 30 BBEDRO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041612264 710768387 /nfs/dbraw/zinc/76/83/87/710768387.db2.gz ILOSLACMZMNBBP-LBPRGKRZSA-N 1 0 237.303 -0.418 20 30 BBEDRO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613456 710767844 /nfs/dbraw/zinc/76/78/44/710767844.db2.gz MMCRNUGDYWNCMA-GFCCVEGCSA-N 1 0 235.287 -0.971 20 30 BBEDRO C#CC[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613457 710767818 /nfs/dbraw/zinc/76/78/18/710767818.db2.gz MMCRNUGDYWNCMA-LBPRGKRZSA-N 1 0 235.287 -0.971 20 30 BBEDRO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041623533 710768633 /nfs/dbraw/zinc/76/86/33/710768633.db2.gz PNOROIRKEPRNRQ-CYBMUJFWSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041623534 710768651 /nfs/dbraw/zinc/76/86/51/710768651.db2.gz PNOROIRKEPRNRQ-ZDUSSCGKSA-N 1 0 249.314 -0.581 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041629325 710768346 /nfs/dbraw/zinc/76/83/46/710768346.db2.gz OSHQSUKRHIFANE-CYBMUJFWSA-N 1 0 249.314 -0.581 20 30 BBEDRO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041629327 710768563 /nfs/dbraw/zinc/76/85/63/710768563.db2.gz OSHQSUKRHIFANE-ZDUSSCGKSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041982348 710772785 /nfs/dbraw/zinc/77/27/85/710772785.db2.gz MFOMNRWWYJVFBH-GHMZBOCLSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041982349 710774053 /nfs/dbraw/zinc/77/40/53/710774053.db2.gz MFOMNRWWYJVFBH-MNOVXSKESA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[N@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041982350 710773179 /nfs/dbraw/zinc/77/31/79/710773179.db2.gz MFOMNRWWYJVFBH-QWRGUYRKSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[N@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041982351 710774107 /nfs/dbraw/zinc/77/41/07/710774107.db2.gz MFOMNRWWYJVFBH-WDEREUQCSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042209768 710774928 /nfs/dbraw/zinc/77/49/28/710774928.db2.gz CZBMIAOEGAGTLF-NXEZZACHSA-N 1 0 235.287 -0.972 20 30 BBEDRO C#CC[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042209773 710775574 /nfs/dbraw/zinc/77/55/74/710775574.db2.gz CZBMIAOEGAGTLF-UWVGGRQHSA-N 1 0 235.287 -0.972 20 30 BBEDRO C#CC[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042209775 710775425 /nfs/dbraw/zinc/77/54/25/710775425.db2.gz CZBMIAOEGAGTLF-VHSXEESVSA-N 1 0 235.287 -0.972 20 30 BBEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042209777 710775398 /nfs/dbraw/zinc/77/53/98/710775398.db2.gz CZBMIAOEGAGTLF-ZJUUUORDSA-N 1 0 235.287 -0.972 20 30 BBEDRO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210059 710775148 /nfs/dbraw/zinc/77/51/48/710775148.db2.gz FWRNDNQOVHBIKS-NXEZZACHSA-N 1 0 237.303 -0.420 20 30 BBEDRO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210060 710775416 /nfs/dbraw/zinc/77/54/16/710775416.db2.gz FWRNDNQOVHBIKS-UWVGGRQHSA-N 1 0 237.303 -0.420 20 30 BBEDRO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210061 710775291 /nfs/dbraw/zinc/77/52/91/710775291.db2.gz FWRNDNQOVHBIKS-VHSXEESVSA-N 1 0 237.303 -0.420 20 30 BBEDRO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210062 711668152 /nfs/dbraw/zinc/66/81/52/711668152.db2.gz FWRNDNQOVHBIKS-ZJUUUORDSA-N 1 0 237.303 -0.420 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211391 711668212 /nfs/dbraw/zinc/66/82/12/711668212.db2.gz RGNMJKRHMDWFQX-GHMZBOCLSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211394 711668173 /nfs/dbraw/zinc/66/81/73/711668173.db2.gz RGNMJKRHMDWFQX-MNOVXSKESA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211395 711668032 /nfs/dbraw/zinc/66/80/32/711668032.db2.gz RGNMJKRHMDWFQX-QWRGUYRKSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211398 711668116 /nfs/dbraw/zinc/66/81/16/711668116.db2.gz RGNMJKRHMDWFQX-WDEREUQCSA-N 1 0 249.314 -0.582 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042213979 710775210 /nfs/dbraw/zinc/77/52/10/710775210.db2.gz MZMUAIUGMPCAQY-GHMZBOCLSA-N 1 0 249.314 -0.582 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042213980 710775712 /nfs/dbraw/zinc/77/57/12/710775712.db2.gz MZMUAIUGMPCAQY-MNOVXSKESA-N 1 0 249.314 -0.582 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042213981 710775533 /nfs/dbraw/zinc/77/55/33/710775533.db2.gz MZMUAIUGMPCAQY-QWRGUYRKSA-N 1 0 249.314 -0.582 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042213982 710775064 /nfs/dbraw/zinc/77/50/64/710775064.db2.gz MZMUAIUGMPCAQY-WDEREUQCSA-N 1 0 249.314 -0.582 20 30 BBEDRO CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(CC#N)C1 ZINC001042545570 710791493 /nfs/dbraw/zinc/79/14/93/710791493.db2.gz FYGGMCYIYTWVKK-LLVKDONJSA-N 1 0 236.319 -0.253 20 30 BBEDRO CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(CC#N)C1 ZINC001042545571 710790666 /nfs/dbraw/zinc/79/06/66/710790666.db2.gz FYGGMCYIYTWVKK-NSHDSACASA-N 1 0 236.319 -0.253 20 30 BBEDRO C#CCN1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042545794 710790663 /nfs/dbraw/zinc/79/06/63/710790663.db2.gz IVVMEZGETCLVMB-GFCCVEGCSA-N 1 0 235.331 -0.144 20 30 BBEDRO C#CCN1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042545795 710791231 /nfs/dbraw/zinc/79/12/31/710791231.db2.gz IVVMEZGETCLVMB-LBPRGKRZSA-N 1 0 235.331 -0.144 20 30 BBEDRO C#CCN1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043887339 710815555 /nfs/dbraw/zinc/81/55/55/710815555.db2.gz QDNWYRFDEAMHBS-AAEUAGOBSA-N 1 0 249.358 -0.040 20 30 BBEDRO C#CCN1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043887342 710814643 /nfs/dbraw/zinc/81/46/43/710814643.db2.gz QDNWYRFDEAMHBS-DGCLKSJQSA-N 1 0 249.358 -0.040 20 30 BBEDRO C#CCN1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043887344 710814780 /nfs/dbraw/zinc/81/47/80/710814780.db2.gz QDNWYRFDEAMHBS-WCQYABFASA-N 1 0 249.358 -0.040 20 30 BBEDRO C#CCN1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043887345 710815265 /nfs/dbraw/zinc/81/52/65/710815265.db2.gz QDNWYRFDEAMHBS-YPMHNXCESA-N 1 0 249.358 -0.040 20 30 BBEDRO CN(C(=O)C12CC[NH+](CC1)C2)C1CN(CC#N)C1 ZINC001044192672 710820461 /nfs/dbraw/zinc/82/04/61/710820461.db2.gz CUFVMUHUIUKUCY-UHFFFAOYSA-N 1 0 248.330 -0.252 20 30 BBEDRO C#CCN1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044193216 710821136 /nfs/dbraw/zinc/82/11/36/710821136.db2.gz YZEHMTIVGDFUGA-UHFFFAOYSA-N 1 0 247.342 -0.142 20 30 BBEDRO C#CCN1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044293719 710823827 /nfs/dbraw/zinc/82/38/27/710823827.db2.gz ISVHNGXRYRGKHZ-LLVKDONJSA-N 1 0 235.331 -0.286 20 30 BBEDRO C#CCN1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044293720 710823435 /nfs/dbraw/zinc/82/34/35/710823435.db2.gz ISVHNGXRYRGKHZ-NSHDSACASA-N 1 0 235.331 -0.286 20 30 BBEDRO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(CC#N)C1 ZINC001044294057 710822751 /nfs/dbraw/zinc/82/27/51/710822751.db2.gz QFVZQPDATMKGBO-JTQLQIEISA-N 1 0 236.319 -0.396 20 30 BBEDRO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CC#N)C1 ZINC001044294058 710822847 /nfs/dbraw/zinc/82/28/47/710822847.db2.gz QFVZQPDATMKGBO-SNVBAGLBSA-N 1 0 236.319 -0.396 20 30 BBEDRO C#CCN1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044297438 710822610 /nfs/dbraw/zinc/82/26/10/710822610.db2.gz ICHKHVWJVXJPSO-UHFFFAOYSA-N 1 0 235.331 -0.142 20 30 BBEDRO CN(C(=O)C[NH+]1CCCC1)C1CN(CC#N)C1 ZINC001044297879 710823288 /nfs/dbraw/zinc/82/32/88/710823288.db2.gz NEVWJZNQCQPPJU-UHFFFAOYSA-N 1 0 236.319 -0.252 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@H](C)C1 ZINC001044517593 710827870 /nfs/dbraw/zinc/82/78/70/710827870.db2.gz JALLCGFTJOXETK-NXEZZACHSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 ZINC001044517594 710827988 /nfs/dbraw/zinc/82/79/88/710827988.db2.gz JALLCGFTJOXETK-UWVGGRQHSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 ZINC001044517595 710828054 /nfs/dbraw/zinc/82/80/54/710828054.db2.gz JALLCGFTJOXETK-VHSXEESVSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H](C)C1 ZINC001044517596 710828739 /nfs/dbraw/zinc/82/87/39/710828739.db2.gz JALLCGFTJOXETK-ZJUUUORDSA-N 1 0 237.303 -0.536 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC001044722616 710829710 /nfs/dbraw/zinc/82/97/10/710829710.db2.gz NUUHDRWTTPZYTA-BDAKNGLRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC001044722619 710829577 /nfs/dbraw/zinc/82/95/77/710829577.db2.gz NUUHDRWTTPZYTA-DTWKUNHWSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC001044722620 710829219 /nfs/dbraw/zinc/82/92/19/710829219.db2.gz NUUHDRWTTPZYTA-IUCAKERBSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC001044722621 710829988 /nfs/dbraw/zinc/82/99/88/710829988.db2.gz NUUHDRWTTPZYTA-RKDXNWHRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC001044724059 710829619 /nfs/dbraw/zinc/82/96/19/710829619.db2.gz WLUOHPGQFFJHEL-BDAKNGLRSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC001044724060 710829578 /nfs/dbraw/zinc/82/95/78/710829578.db2.gz WLUOHPGQFFJHEL-DTWKUNHWSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC001044724061 710829594 /nfs/dbraw/zinc/82/95/94/710829594.db2.gz WLUOHPGQFFJHEL-IUCAKERBSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC001044724062 710829564 /nfs/dbraw/zinc/82/95/64/710829564.db2.gz WLUOHPGQFFJHEL-RKDXNWHRSA-N 1 0 223.276 -0.926 20 30 BBEDRO C#CC[N@H+]1CC[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001045991758 710842982 /nfs/dbraw/zinc/84/29/82/710842982.db2.gz DTMQBTUWTIZPEZ-CYBMUJFWSA-N 1 0 235.331 -0.142 20 30 BBEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001045991762 710843485 /nfs/dbraw/zinc/84/34/85/710843485.db2.gz DTMQBTUWTIZPEZ-ZDUSSCGKSA-N 1 0 235.331 -0.142 20 30 BBEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046196475 710853880 /nfs/dbraw/zinc/85/38/80/710853880.db2.gz CNSZQRUGYVGBFA-MFKMUULPSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046196476 710854039 /nfs/dbraw/zinc/85/40/39/710854039.db2.gz CNSZQRUGYVGBFA-ZWNOBZJWSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001046537323 710861779 /nfs/dbraw/zinc/86/17/79/710861779.db2.gz LTEGHNAQYWBHFX-GWCFXTLKSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001046537324 710862294 /nfs/dbraw/zinc/86/22/94/710862294.db2.gz LTEGHNAQYWBHFX-GXFFZTMASA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001046537325 710861319 /nfs/dbraw/zinc/86/13/19/710861319.db2.gz LTEGHNAQYWBHFX-MFKMUULPSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001046537326 710862248 /nfs/dbraw/zinc/86/22/48/710862248.db2.gz LTEGHNAQYWBHFX-ZWNOBZJWSA-N 1 0 249.314 -0.664 20 30 BBEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046629435 710863900 /nfs/dbraw/zinc/86/39/00/710863900.db2.gz ZSNIHHCWGVCMLH-GBIKHYSHSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046629436 710863540 /nfs/dbraw/zinc/86/35/40/710863540.db2.gz ZSNIHHCWGVCMLH-NRUUGDAUSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046778203 710866868 /nfs/dbraw/zinc/86/68/68/710866868.db2.gz CNSZQRUGYVGBFA-GWCFXTLKSA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046778205 710866820 /nfs/dbraw/zinc/86/68/20/710866820.db2.gz CNSZQRUGYVGBFA-GXFFZTMASA-N 1 0 249.314 -0.521 20 30 BBEDRO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047272307 710869637 /nfs/dbraw/zinc/86/96/37/710869637.db2.gz DBFWXYBJWJSCSW-QWRGUYRKSA-N 1 0 222.288 -0.467 20 30 BBEDRO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC001047274216 710870060 /nfs/dbraw/zinc/87/00/60/710870060.db2.gz HBNHXSBRESKLPB-IUCAKERBSA-N 1 0 246.257 -0.222 20 30 BBEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047279026 710870275 /nfs/dbraw/zinc/87/02/75/710870275.db2.gz FXIKKWGLFXTEAW-RYUDHWBXSA-N 1 0 236.315 -0.077 20 30 BBEDRO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048726071 710887603 /nfs/dbraw/zinc/88/76/03/710887603.db2.gz ZWQCNJFYRCSSOC-GARJFASQSA-N 1 0 237.303 -0.471 20 30 BBEDRO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048726091 710887322 /nfs/dbraw/zinc/88/73/22/710887322.db2.gz ZWQCNJFYRCSSOC-MXWKQRLJSA-N 1 0 237.303 -0.471 20 30 BBEDRO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048812399 710887979 /nfs/dbraw/zinc/88/79/79/710887979.db2.gz IHOPEGQSAKXJCL-BETUJISGSA-N 1 0 248.326 -0.218 20 30 BBEDRO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C1 ZINC001048913505 710889203 /nfs/dbraw/zinc/88/92/03/710889203.db2.gz FTUGVQXSOIXSPN-AOOOYVTPSA-N 1 0 247.302 -0.006 20 30 BBEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C1 ZINC001048914098 710889325 /nfs/dbraw/zinc/88/93/25/710889325.db2.gz OIORSQWNBBUVIV-AOOOYVTPSA-N 1 0 245.286 -0.558 20 30 BBEDRO C=CC[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049018683 710892788 /nfs/dbraw/zinc/89/27/88/710892788.db2.gz HLEJZSNXDVHTOM-DTORHVGOSA-N 1 0 223.276 -0.952 20 30 BBEDRO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049020964 710892269 /nfs/dbraw/zinc/89/22/69/710892269.db2.gz MMFCLNZPJYHJRK-AOOOYVTPSA-N 1 0 237.303 -0.562 20 30 BBEDRO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049023341 710892856 /nfs/dbraw/zinc/89/28/56/710892856.db2.gz WAFLQXDYXRYFRB-AOOOYVTPSA-N 1 0 237.303 -0.562 20 30 BBEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 ZINC001049121773 710895053 /nfs/dbraw/zinc/89/50/53/710895053.db2.gz SIAMHAUDJJFPSD-AOOOYVTPSA-N 1 0 246.270 -0.293 20 30 BBEDRO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049381607 710900764 /nfs/dbraw/zinc/90/07/64/710900764.db2.gz KXMHVDSMNVOSHQ-GHMZBOCLSA-N 1 0 249.314 -0.440 20 30 BBEDRO C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049381609 710900940 /nfs/dbraw/zinc/90/09/40/710900940.db2.gz KXMHVDSMNVOSHQ-MNOVXSKESA-N 1 0 249.314 -0.440 20 30 BBEDRO C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049381611 710900834 /nfs/dbraw/zinc/90/08/34/710900834.db2.gz KXMHVDSMNVOSHQ-QWRGUYRKSA-N 1 0 249.314 -0.440 20 30 BBEDRO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049381612 710900511 /nfs/dbraw/zinc/90/05/11/710900511.db2.gz KXMHVDSMNVOSHQ-WDEREUQCSA-N 1 0 249.314 -0.440 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049683049 710902208 /nfs/dbraw/zinc/90/22/08/710902208.db2.gz LCNXMPLFNAFFDX-GHMZBOCLSA-N 1 0 249.314 -0.440 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049683050 710901623 /nfs/dbraw/zinc/90/16/23/710901623.db2.gz LCNXMPLFNAFFDX-MNOVXSKESA-N 1 0 249.314 -0.440 20 30 BBEDRO C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049683052 710902194 /nfs/dbraw/zinc/90/21/94/710902194.db2.gz LCNXMPLFNAFFDX-QWRGUYRKSA-N 1 0 249.314 -0.440 20 30 BBEDRO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049683053 710902081 /nfs/dbraw/zinc/90/20/81/710902081.db2.gz LCNXMPLFNAFFDX-WDEREUQCSA-N 1 0 249.314 -0.440 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049683457 710902178 /nfs/dbraw/zinc/90/21/78/710902178.db2.gz OHICKALLJMYXNN-GHMZBOCLSA-N 1 0 249.314 -0.440 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049683458 710901886 /nfs/dbraw/zinc/90/18/86/710901886.db2.gz OHICKALLJMYXNN-MNOVXSKESA-N 1 0 249.314 -0.440 20 30 BBEDRO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049683459 710901809 /nfs/dbraw/zinc/90/18/09/710901809.db2.gz OHICKALLJMYXNN-QWRGUYRKSA-N 1 0 249.314 -0.440 20 30 BBEDRO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049683460 710901562 /nfs/dbraw/zinc/90/15/62/710901562.db2.gz OHICKALLJMYXNN-WDEREUQCSA-N 1 0 249.314 -0.440 20 30 BBEDRO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049691017 710902698 /nfs/dbraw/zinc/90/26/98/710902698.db2.gz JWAUDKIOXPUQMQ-NXEZZACHSA-N 1 0 237.303 -0.277 20 30 BBEDRO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049691018 710902784 /nfs/dbraw/zinc/90/27/84/710902784.db2.gz JWAUDKIOXPUQMQ-UWVGGRQHSA-N 1 0 237.303 -0.277 20 30 BBEDRO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049691019 710902653 /nfs/dbraw/zinc/90/26/53/710902653.db2.gz JWAUDKIOXPUQMQ-VHSXEESVSA-N 1 0 237.303 -0.277 20 30 BBEDRO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049691020 710902756 /nfs/dbraw/zinc/90/27/56/710902756.db2.gz JWAUDKIOXPUQMQ-ZJUUUORDSA-N 1 0 237.303 -0.277 20 30 BBEDRO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049691411 710902737 /nfs/dbraw/zinc/90/27/37/710902737.db2.gz LXAIVTQGCFMYDH-NXEZZACHSA-N 1 0 235.287 -0.830 20 30 BBEDRO C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049691413 710902724 /nfs/dbraw/zinc/90/27/24/710902724.db2.gz LXAIVTQGCFMYDH-UWVGGRQHSA-N 1 0 235.287 -0.830 20 30 BBEDRO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049691416 710902676 /nfs/dbraw/zinc/90/26/76/710902676.db2.gz LXAIVTQGCFMYDH-VHSXEESVSA-N 1 0 235.287 -0.830 20 30 BBEDRO C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049691420 710902718 /nfs/dbraw/zinc/90/27/18/710902718.db2.gz LXAIVTQGCFMYDH-ZJUUUORDSA-N 1 0 235.287 -0.830 20 30 BBEDRO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001050004059 710949228 /nfs/dbraw/zinc/94/92/28/710949228.db2.gz YZFGHABUNGUNFA-WDEREUQCSA-N 1 0 249.314 -0.582 20 30 BBEDRO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050129508 710951568 /nfs/dbraw/zinc/95/15/68/710951568.db2.gz OUAWWUASDLQKFX-WDEREUQCSA-N 1 0 249.314 -0.582 20 30 BBEDRO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050130479 710952398 /nfs/dbraw/zinc/95/23/98/710952398.db2.gz BDHHQGNYZWECCG-WDEREUQCSA-N 1 0 249.314 -0.582 20 30 BBEDRO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050130489 710951638 /nfs/dbraw/zinc/95/16/38/710951638.db2.gz BQODEQYNFFJLIL-VHSXEESVSA-N 1 0 237.303 -0.420 20 30 BBEDRO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050131270 710912756 /nfs/dbraw/zinc/91/27/56/710912756.db2.gz OTKRONQJEJKMJD-VHSXEESVSA-N 1 0 235.287 -0.972 20 30 BBEDRO C#CC[NH+]1CCC2(CN(C(=O)CC(N)=O)C2)CC1 ZINC001050467351 710953701 /nfs/dbraw/zinc/95/37/01/710953701.db2.gz BBTMAMRDAUITID-UHFFFAOYSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CC[NH+]1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050640718 710952947 /nfs/dbraw/zinc/95/29/47/710952947.db2.gz JOEHFMLNTCFRNW-UHFFFAOYSA-N 1 0 235.287 -0.971 20 30 BBEDRO C=CC[NH+]1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050640760 710953323 /nfs/dbraw/zinc/95/33/23/710953323.db2.gz KWFFTPHFCZOYPY-UHFFFAOYSA-N 1 0 237.303 -0.418 20 30 BBEDRO C#CCC[NH+]1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050642806 710952533 /nfs/dbraw/zinc/95/25/33/710952533.db2.gz OGADKBZVOQMFQD-UHFFFAOYSA-N 1 0 249.314 -0.581 20 30 BBEDRO CC#CC[NH+]1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050643533 710953737 /nfs/dbraw/zinc/95/37/37/710953737.db2.gz AKWSXVAJHNJHLJ-UHFFFAOYSA-N 1 0 249.314 -0.581 20 30 BBEDRO CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001051488275 710957943 /nfs/dbraw/zinc/95/79/43/710957943.db2.gz JWQOKNWFQCCYAZ-NXEZZACHSA-N 1 0 225.292 -0.017 20 30 BBEDRO CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001051488276 710956889 /nfs/dbraw/zinc/95/68/89/710956889.db2.gz JWQOKNWFQCCYAZ-UWVGGRQHSA-N 1 0 225.292 -0.017 20 30 BBEDRO CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001051488277 710957532 /nfs/dbraw/zinc/95/75/32/710957532.db2.gz JWQOKNWFQCCYAZ-VHSXEESVSA-N 1 0 225.292 -0.017 20 30 BBEDRO CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001051488278 710957322 /nfs/dbraw/zinc/95/73/22/710957322.db2.gz JWQOKNWFQCCYAZ-ZJUUUORDSA-N 1 0 225.292 -0.017 20 30 BBEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052670854 710917637 /nfs/dbraw/zinc/91/76/37/710917637.db2.gz IOZWPHKPYWTTQM-SECBINFHSA-N 1 0 225.292 -0.372 20 30 BBEDRO C=CC[N@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052670855 710919127 /nfs/dbraw/zinc/91/91/27/710919127.db2.gz IOZWPHKPYWTTQM-VIFPVBQESA-N 1 0 225.292 -0.372 20 30 BBEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052672431 710917567 /nfs/dbraw/zinc/91/75/67/710917567.db2.gz WDJVUISHYSJAIL-SECBINFHSA-N 1 0 223.276 -0.924 20 30 BBEDRO C#CC[N@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052672439 710918391 /nfs/dbraw/zinc/91/83/91/710918391.db2.gz WDJVUISHYSJAIL-VIFPVBQESA-N 1 0 223.276 -0.924 20 30 BBEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052675216 710918153 /nfs/dbraw/zinc/91/81/53/710918153.db2.gz YORHHPIJGDQHCA-JTQLQIEISA-N 1 0 237.303 -0.534 20 30 BBEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052675217 710919118 /nfs/dbraw/zinc/91/91/18/710919118.db2.gz YORHHPIJGDQHCA-SNVBAGLBSA-N 1 0 237.303 -0.534 20 30 BBEDRO CC#CC[N@@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052679582 710918871 /nfs/dbraw/zinc/91/88/71/710918871.db2.gz SGBATHACMHQOGE-JTQLQIEISA-N 1 0 237.303 -0.534 20 30 BBEDRO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052679583 710918410 /nfs/dbraw/zinc/91/84/10/710918410.db2.gz SGBATHACMHQOGE-SNVBAGLBSA-N 1 0 237.303 -0.534 20 30 BBEDRO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054186882 710922631 /nfs/dbraw/zinc/92/26/31/710922631.db2.gz HHQQLPUHWQKVPZ-CYBMUJFWSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054186883 710922419 /nfs/dbraw/zinc/92/24/19/710922419.db2.gz HHQQLPUHWQKVPZ-ZDUSSCGKSA-N 1 0 249.314 -0.581 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)COC)C[C@H]1C ZINC001054303458 710927389 /nfs/dbraw/zinc/92/73/89/710927389.db2.gz NGKQKYFRJBYUIH-NXEZZACHSA-N 1 0 210.277 -0.298 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)COC)C[C@@H]1C ZINC001054303459 710927425 /nfs/dbraw/zinc/92/74/25/710927425.db2.gz NGKQKYFRJBYUIH-UWVGGRQHSA-N 1 0 210.277 -0.298 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)COC)C[C@@H]1C ZINC001054303460 710926312 /nfs/dbraw/zinc/92/63/12/710926312.db2.gz NGKQKYFRJBYUIH-VHSXEESVSA-N 1 0 210.277 -0.298 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)COC)C[C@H]1C ZINC001054303461 710927284 /nfs/dbraw/zinc/92/72/84/710927284.db2.gz NGKQKYFRJBYUIH-ZJUUUORDSA-N 1 0 210.277 -0.298 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)Cn2cccn2)C[C@H]1C ZINC001054384779 710933272 /nfs/dbraw/zinc/93/32/72/710933272.db2.gz CMILEEKDQPSJCP-NEPJUHHUSA-N 1 0 246.314 -0.047 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1C ZINC001054384780 710932544 /nfs/dbraw/zinc/93/25/44/710932544.db2.gz CMILEEKDQPSJCP-NWDGAFQWSA-N 1 0 246.314 -0.047 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1C ZINC001054384781 710933188 /nfs/dbraw/zinc/93/31/88/710933188.db2.gz CMILEEKDQPSJCP-RYUDHWBXSA-N 1 0 246.314 -0.047 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C ZINC001054384782 710932522 /nfs/dbraw/zinc/93/25/22/710932522.db2.gz CMILEEKDQPSJCP-VXGBXAGGSA-N 1 0 246.314 -0.047 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001054500119 710936001 /nfs/dbraw/zinc/93/60/01/710936001.db2.gz RXKOGUUOASOQOU-BDAKNGLRSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001054500120 710936025 /nfs/dbraw/zinc/93/60/25/710936025.db2.gz RXKOGUUOASOQOU-DTWKUNHWSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001054500121 710936118 /nfs/dbraw/zinc/93/61/18/710936118.db2.gz RXKOGUUOASOQOU-IUCAKERBSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001054500123 710936402 /nfs/dbraw/zinc/93/64/02/710936402.db2.gz RXKOGUUOASOQOU-RKDXNWHRSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001054501759 710935762 /nfs/dbraw/zinc/93/57/62/710935762.db2.gz VBZGSOCRCCNVLW-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001054501760 710936559 /nfs/dbraw/zinc/93/65/59/710936559.db2.gz VBZGSOCRCCNVLW-UWVGGRQHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001054501761 710935939 /nfs/dbraw/zinc/93/59/39/710935939.db2.gz VBZGSOCRCCNVLW-VHSXEESVSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001054501762 710935978 /nfs/dbraw/zinc/93/59/78/710935978.db2.gz VBZGSOCRCCNVLW-ZJUUUORDSA-N 1 0 239.319 -0.126 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001054622100 710939248 /nfs/dbraw/zinc/93/92/48/710939248.db2.gz XBSYYYDTCMKJFM-NXEZZACHSA-N 1 0 247.302 -0.502 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C ZINC001054622102 710939504 /nfs/dbraw/zinc/93/95/04/710939504.db2.gz XBSYYYDTCMKJFM-UWVGGRQHSA-N 1 0 247.302 -0.502 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C ZINC001054622103 710939154 /nfs/dbraw/zinc/93/91/54/710939154.db2.gz XBSYYYDTCMKJFM-VHSXEESVSA-N 1 0 247.302 -0.502 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001054622104 710939123 /nfs/dbraw/zinc/93/91/23/710939123.db2.gz XBSYYYDTCMKJFM-ZJUUUORDSA-N 1 0 247.302 -0.502 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001054637545 710940705 /nfs/dbraw/zinc/94/07/05/710940705.db2.gz VFTBIZYNCORPHB-NXEZZACHSA-N 1 0 247.302 -0.502 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C ZINC001054637551 710940049 /nfs/dbraw/zinc/94/00/49/710940049.db2.gz VFTBIZYNCORPHB-UWVGGRQHSA-N 1 0 247.302 -0.502 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C ZINC001054637563 710940849 /nfs/dbraw/zinc/94/08/49/710940849.db2.gz VFTBIZYNCORPHB-VHSXEESVSA-N 1 0 247.302 -0.502 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001054637570 710940311 /nfs/dbraw/zinc/94/03/11/710940311.db2.gz VFTBIZYNCORPHB-ZJUUUORDSA-N 1 0 247.302 -0.502 20 30 BBEDRO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCO ZINC001054646727 710940751 /nfs/dbraw/zinc/94/07/51/710940751.db2.gz ALPBWVIKVPMNEY-CMPLNLGQSA-N 1 0 236.315 -0.171 20 30 BBEDRO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]CCO ZINC001054646730 710940730 /nfs/dbraw/zinc/94/07/30/710940730.db2.gz ALPBWVIKVPMNEY-JQWIXIFHSA-N 1 0 236.315 -0.171 20 30 BBEDRO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]CCO ZINC001054646733 710940827 /nfs/dbraw/zinc/94/08/27/710940827.db2.gz ALPBWVIKVPMNEY-PWSUYJOCSA-N 1 0 236.315 -0.171 20 30 BBEDRO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCO ZINC001054646736 710940534 /nfs/dbraw/zinc/94/05/34/710940534.db2.gz ALPBWVIKVPMNEY-ZYHUDNBSSA-N 1 0 236.315 -0.171 20 30 BBEDRO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CC(N)=O ZINC001054661262 710940381 /nfs/dbraw/zinc/94/03/81/710940381.db2.gz VVXJUKYSOICKDI-GXSJLCMTSA-N 1 0 249.314 -0.678 20 30 BBEDRO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054661282 710940517 /nfs/dbraw/zinc/94/05/17/710940517.db2.gz VVXJUKYSOICKDI-KOLCDFICSA-N 1 0 249.314 -0.678 20 30 BBEDRO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CC(N)=O ZINC001054661307 710940786 /nfs/dbraw/zinc/94/07/86/710940786.db2.gz VVXJUKYSOICKDI-MWLCHTKSSA-N 1 0 249.314 -0.678 20 30 BBEDRO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054661325 710940033 /nfs/dbraw/zinc/94/00/33/710940033.db2.gz VVXJUKYSOICKDI-ONGXEEELSA-N 1 0 249.314 -0.678 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001054693385 710941831 /nfs/dbraw/zinc/94/18/31/710941831.db2.gz FRSGGBBFWFEODB-GHMZBOCLSA-N 1 0 247.302 -0.652 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001054693387 710941657 /nfs/dbraw/zinc/94/16/57/710941657.db2.gz FRSGGBBFWFEODB-MNOVXSKESA-N 1 0 247.302 -0.652 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C ZINC001054693388 710941611 /nfs/dbraw/zinc/94/16/11/710941611.db2.gz FRSGGBBFWFEODB-QWRGUYRKSA-N 1 0 247.302 -0.652 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C ZINC001054693389 710941584 /nfs/dbraw/zinc/94/15/84/710941584.db2.gz FRSGGBBFWFEODB-WDEREUQCSA-N 1 0 247.302 -0.652 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001054697813 710941626 /nfs/dbraw/zinc/94/16/26/710941626.db2.gz PYADWNRVQOPEEQ-GHMZBOCLSA-N 1 0 249.318 -0.099 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001054697816 710941457 /nfs/dbraw/zinc/94/14/57/710941457.db2.gz PYADWNRVQOPEEQ-MNOVXSKESA-N 1 0 249.318 -0.099 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C ZINC001054697818 710941605 /nfs/dbraw/zinc/94/16/05/710941605.db2.gz PYADWNRVQOPEEQ-QWRGUYRKSA-N 1 0 249.318 -0.099 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C ZINC001054697821 710941785 /nfs/dbraw/zinc/94/17/85/710941785.db2.gz PYADWNRVQOPEEQ-WDEREUQCSA-N 1 0 249.318 -0.099 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001054840631 710941352 /nfs/dbraw/zinc/94/13/52/710941352.db2.gz HWNLSXJUWKRMHA-PSASIEDQSA-N 1 0 233.275 -0.512 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001054840632 710941420 /nfs/dbraw/zinc/94/14/20/710941420.db2.gz HWNLSXJUWKRMHA-SCZZXKLOSA-N 1 0 233.275 -0.512 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001054840633 710941024 /nfs/dbraw/zinc/94/10/24/710941024.db2.gz HWNLSXJUWKRMHA-WCBMZHEXSA-N 1 0 233.275 -0.512 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001054840634 710941815 /nfs/dbraw/zinc/94/18/15/710941815.db2.gz HWNLSXJUWKRMHA-WPRPVWTQSA-N 1 0 233.275 -0.512 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C ZINC001054962473 710943771 /nfs/dbraw/zinc/94/37/71/710943771.db2.gz SHKXHRXRHOLLQW-PSASIEDQSA-N 1 0 247.302 -0.204 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C ZINC001054962474 710942387 /nfs/dbraw/zinc/94/23/87/710942387.db2.gz SHKXHRXRHOLLQW-SCZZXKLOSA-N 1 0 247.302 -0.204 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1C ZINC001054962475 711948343 /nfs/dbraw/zinc/94/83/43/711948343.db2.gz SHKXHRXRHOLLQW-WCBMZHEXSA-N 1 0 247.302 -0.204 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1C ZINC001054962476 711948403 /nfs/dbraw/zinc/94/84/03/711948403.db2.gz SHKXHRXRHOLLQW-WPRPVWTQSA-N 1 0 247.302 -0.204 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C ZINC001054988583 710943480 /nfs/dbraw/zinc/94/34/80/710943480.db2.gz FVGOHGXDHUPEJS-BNDIWNMDSA-N 1 0 248.326 -0.052 20 30 BBEDRO C#CC[NH2+][C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1C ZINC001054988584 710943240 /nfs/dbraw/zinc/94/32/40/710943240.db2.gz FVGOHGXDHUPEJS-IEECTRCBSA-N 1 0 248.326 -0.052 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1C ZINC001054988585 710942999 /nfs/dbraw/zinc/94/29/99/710942999.db2.gz FVGOHGXDHUPEJS-KIJLLGNVSA-N 1 0 248.326 -0.052 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C ZINC001054988586 710943373 /nfs/dbraw/zinc/94/33/73/710943373.db2.gz FVGOHGXDHUPEJS-LBELIVKGSA-N 1 0 248.326 -0.052 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055019686 710944396 /nfs/dbraw/zinc/94/43/96/710944396.db2.gz CLVDZDKLNHEJJF-HTQZYQBOSA-N 1 0 211.265 -0.906 20 30 BBEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001055019687 710944335 /nfs/dbraw/zinc/94/43/35/710944335.db2.gz CLVDZDKLNHEJJF-JGVFFNPUSA-N 1 0 211.265 -0.906 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055019688 711948675 /nfs/dbraw/zinc/94/86/75/711948675.db2.gz CLVDZDKLNHEJJF-SFYZADRCSA-N 1 0 211.265 -0.906 20 30 BBEDRO C=CC[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001055019689 711948683 /nfs/dbraw/zinc/94/86/83/711948683.db2.gz CLVDZDKLNHEJJF-YUMQZZPRSA-N 1 0 211.265 -0.906 20 30 BBEDRO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055020278 710944555 /nfs/dbraw/zinc/94/45/55/710944555.db2.gz MJQFLJQMFQHYGG-HTRCEHHLSA-N 1 0 245.710 -0.339 20 30 BBEDRO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001055020279 710944447 /nfs/dbraw/zinc/94/44/47/710944447.db2.gz MJQFLJQMFQHYGG-POYBYMJQSA-N 1 0 245.710 -0.339 20 30 BBEDRO C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055020280 710944235 /nfs/dbraw/zinc/94/42/35/710944235.db2.gz MJQFLJQMFQHYGG-SVRRBLITSA-N 1 0 245.710 -0.339 20 30 BBEDRO C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001055020281 710944570 /nfs/dbraw/zinc/94/45/70/710944570.db2.gz MJQFLJQMFQHYGG-XPUUQOCRSA-N 1 0 245.710 -0.339 20 30 BBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055023591 710944421 /nfs/dbraw/zinc/94/44/21/710944421.db2.gz RCAOATFRRBSPBN-BDAKNGLRSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001055023592 710944475 /nfs/dbraw/zinc/94/44/75/710944475.db2.gz RCAOATFRRBSPBN-DTWKUNHWSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001055023593 710944223 /nfs/dbraw/zinc/94/42/23/710944223.db2.gz RCAOATFRRBSPBN-IUCAKERBSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055023594 710944240 /nfs/dbraw/zinc/94/42/40/710944240.db2.gz RCAOATFRRBSPBN-RKDXNWHRSA-N 1 0 225.292 -0.516 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069885777 711076948 /nfs/dbraw/zinc/07/69/48/711076948.db2.gz XTMDDZZPTJBMHH-NEPJUHHUSA-N 1 0 247.302 -0.337 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC)C[C@@H]1n1ccnn1 ZINC001070120269 711113758 /nfs/dbraw/zinc/11/37/58/711113758.db2.gz FSYDEFMRSPBPIS-MNOVXSKESA-N 1 0 247.302 -0.337 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(C)=O)C[C@H]1c1cn(C)cn1 ZINC001070450691 711137974 /nfs/dbraw/zinc/13/79/74/711137974.db2.gz NUNIWLKMDLOATF-WCQYABFASA-N 1 0 246.314 -0.043 20 30 BBEDRO C#CC[NH2+][C@@H]1CN(C(C)=O)C[C@H]1c1cncn1C ZINC001070605969 711142965 /nfs/dbraw/zinc/14/29/65/711142965.db2.gz DXQAGACKNFIKTK-VXGBXAGGSA-N 1 0 246.314 -0.043 20 30 BBEDRO C=CC[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071780139 711202109 /nfs/dbraw/zinc/20/21/09/711202109.db2.gz UHUMFRPVGVPKCL-BDAKNGLRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071780140 711202123 /nfs/dbraw/zinc/20/21/23/711202123.db2.gz UHUMFRPVGVPKCL-DTWKUNHWSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071780141 711201612 /nfs/dbraw/zinc/20/16/12/711201612.db2.gz UHUMFRPVGVPKCL-IUCAKERBSA-N 1 0 225.292 -0.373 20 30 BBEDRO C=CC[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071780142 711201779 /nfs/dbraw/zinc/20/17/79/711201779.db2.gz UHUMFRPVGVPKCL-RKDXNWHRSA-N 1 0 225.292 -0.373 20 30 BBEDRO C#CCC[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071789675 711202171 /nfs/dbraw/zinc/20/21/71/711202171.db2.gz XCRNPSSFRFWLBO-NXEZZACHSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071789676 711202534 /nfs/dbraw/zinc/20/25/34/711202534.db2.gz XCRNPSSFRFWLBO-UWVGGRQHSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CCC[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071789677 711201719 /nfs/dbraw/zinc/20/17/19/711201719.db2.gz XCRNPSSFRFWLBO-VHSXEESVSA-N 1 0 237.303 -0.536 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071789678 711202810 /nfs/dbraw/zinc/20/28/10/711202810.db2.gz XCRNPSSFRFWLBO-ZJUUUORDSA-N 1 0 237.303 -0.536 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072544270 711381175 /nfs/dbraw/zinc/38/11/75/711381175.db2.gz GUOMZZKWZDTEDL-JTQLQIEISA-N 1 0 237.303 -0.327 20 30 BBEDRO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072544271 711381388 /nfs/dbraw/zinc/38/13/88/711381388.db2.gz GUOMZZKWZDTEDL-SNVBAGLBSA-N 1 0 237.303 -0.327 20 30 BBEDRO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072712669 711394317 /nfs/dbraw/zinc/39/43/17/711394317.db2.gz RPFYGGJPDCMWBJ-UHFFFAOYSA-N 1 0 248.326 -0.074 20 30 BBEDRO C#CC[N@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001072888446 711414647 /nfs/dbraw/zinc/41/46/47/711414647.db2.gz JJLAGGUPJXYGGC-UHFFFAOYSA-N 1 0 245.286 -0.414 20 30 BBEDRO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934421 711418724 /nfs/dbraw/zinc/41/87/24/711418724.db2.gz CQDLSWVBKGRTID-UHFFFAOYSA-N 1 0 237.303 -0.418 20 30 BBEDRO C#CCC[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072936084 711419958 /nfs/dbraw/zinc/41/99/58/711419958.db2.gz OTHOKBBPFOUMBZ-UHFFFAOYSA-N 1 0 235.287 -0.971 20 30 BBEDRO CC#CC[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072937672 711420649 /nfs/dbraw/zinc/42/06/49/711420649.db2.gz GJEXXRLOUXXVGL-UHFFFAOYSA-N 1 0 235.287 -0.971 20 30 BBEDRO C=CCC[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072938446 711420834 /nfs/dbraw/zinc/42/08/34/711420834.db2.gz VQDNYVKUXIILSU-UHFFFAOYSA-N 1 0 237.303 -0.418 20 30 BBEDRO C#CC[N@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001073064849 711434963 /nfs/dbraw/zinc/43/49/63/711434963.db2.gz IKHZXSUUTHMWJE-UHFFFAOYSA-N 1 0 245.286 -0.414 20 30 BBEDRO C#CC[N@H+]1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001073068373 711435106 /nfs/dbraw/zinc/43/51/06/711435106.db2.gz MGHRTOAYOAQJBT-UHFFFAOYSA-N 1 0 246.270 -0.149 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001074563653 711443543 /nfs/dbraw/zinc/44/35/43/711443543.db2.gz VYIXPNJLWFRJHA-GARJFASQSA-N 1 0 249.314 -0.523 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074570075 711443655 /nfs/dbraw/zinc/44/36/55/711443655.db2.gz KEMZJLOPCYYKIM-CIUDSAMLSA-N 1 0 238.291 -0.790 20 30 BBEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074570076 711443766 /nfs/dbraw/zinc/44/37/66/711443766.db2.gz KEMZJLOPCYYKIM-VGMNWLOBSA-N 1 0 238.291 -0.790 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001074790827 711444724 /nfs/dbraw/zinc/44/47/24/711444724.db2.gz UKGKUYKTSVHSQH-AXFHLTTASA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001074790828 711444672 /nfs/dbraw/zinc/44/46/72/711444672.db2.gz UKGKUYKTSVHSQH-DCAQKATOSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001074884995 711444464 /nfs/dbraw/zinc/44/44/64/711444464.db2.gz PSUXFSPWCJNKRU-VLEAKVRGSA-N 1 0 249.314 -0.680 20 30 BBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001075053846 711445311 /nfs/dbraw/zinc/44/53/11/711445311.db2.gz VYIXPNJLWFRJHA-DCAQKATOSA-N 1 0 249.314 -0.523 20 30 BBEDRO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075616002 711760308 /nfs/dbraw/zinc/76/03/08/711760308.db2.gz GMRZZTZHGYZUTB-GARJFASQSA-N 1 0 237.303 -0.329 20 30 BBEDRO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075616003 711760343 /nfs/dbraw/zinc/76/03/43/711760343.db2.gz GMRZZTZHGYZUTB-OUAUKWLOSA-N 1 0 237.303 -0.329 20 30 BBEDRO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001075630289 711762283 /nfs/dbraw/zinc/76/22/83/711762283.db2.gz BKVLLLUEQUSHDM-WDEREUQCSA-N 1 0 249.314 -0.582 20 30 BBEDRO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075781399 711774745 /nfs/dbraw/zinc/77/47/45/711774745.db2.gz IKNHSWSMWRKXLA-QWHCGFSZSA-N 1 0 248.326 -0.075 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076661170 711807769 /nfs/dbraw/zinc/80/77/69/711807769.db2.gz QLGRHYYVZTZRLE-GHMZBOCLSA-N 1 0 222.288 -0.419 20 30 BBEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001076661327 711807561 /nfs/dbraw/zinc/80/75/61/711807561.db2.gz XODMLHKPWOIRAS-HTQZYQBOSA-N 1 0 234.246 -0.011 20 30 BBEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076664113 711807808 /nfs/dbraw/zinc/80/78/08/711807808.db2.gz GHXUIXRRDPZVRB-GHMZBOCLSA-N 1 0 222.288 -0.419 20 30 BBEDRO CC#CCN1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076665163 711807740 /nfs/dbraw/zinc/80/77/40/711807740.db2.gz CGVJRXXVDQCUAW-VXGBXAGGSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076665410 711807480 /nfs/dbraw/zinc/80/74/80/711807480.db2.gz NPGHYLRXNUCRNQ-VXGBXAGGSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)C2CCCC2)C1 ZINC001076665822 711807897 /nfs/dbraw/zinc/80/78/97/711807897.db2.gz GNGBCHKUHKTEPS-VXGBXAGGSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076672800 711807677 /nfs/dbraw/zinc/80/76/77/711807677.db2.gz KCQMZEOPKAFMOY-VXGBXAGGSA-N 1 0 236.315 -0.029 20 30 BBEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccco2)C1 ZINC001076687842 711808124 /nfs/dbraw/zinc/80/81/24/711808124.db2.gz NTPMMOGWUUMLOF-NXEZZACHSA-N 1 0 234.255 -0.312 20 30 BBEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC001076697047 711808192 /nfs/dbraw/zinc/80/81/92/711808192.db2.gz ZSYJZQCQGNSIQM-GHMZBOCLSA-N 1 0 248.286 -0.563 20 30 BBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001076757215 711808488 /nfs/dbraw/zinc/80/84/88/711808488.db2.gz XGZQZRFRRCMBSJ-GHMZBOCLSA-N 1 0 224.304 -0.173 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076771050 711808640 /nfs/dbraw/zinc/80/86/40/711808640.db2.gz VJVLACGDQRIKPB-GHMZBOCLSA-N 1 0 248.286 -0.792 20 30 BBEDRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855605 711809340 /nfs/dbraw/zinc/80/93/40/711809340.db2.gz DRDLJHUHKJYVMW-GHMZBOCLSA-N 1 0 248.286 -0.319 20 30 BBEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1 ZINC001076867790 711809717 /nfs/dbraw/zinc/80/97/17/711809717.db2.gz JDXMIXYFOMWXEH-VXGBXAGGSA-N 1 0 234.299 -0.109 20 30 BBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001077515837 711846255 /nfs/dbraw/zinc/84/62/55/711846255.db2.gz PLRQZJLKBUOMQC-DDHJBXDOSA-N 1 0 236.315 -0.173 20 30 BBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001077523977 711856929 /nfs/dbraw/zinc/85/69/29/711856929.db2.gz PLRQZJLKBUOMQC-NNYUYHANSA-N 1 0 236.315 -0.173 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001077731768 711915586 /nfs/dbraw/zinc/91/55/86/711915586.db2.gz NLDBRNZTSKQRMT-IJLUTSLNSA-N 1 0 248.326 -0.029 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001077731769 711915541 /nfs/dbraw/zinc/91/55/41/711915541.db2.gz NLDBRNZTSKQRMT-QJPTWQEYSA-N 1 0 248.326 -0.029 20 30 BBEDRO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001078206977 711940468 /nfs/dbraw/zinc/94/04/68/711940468.db2.gz MFRFANBEUSNCPW-VXGBXAGGSA-N 1 0 249.314 -0.096 20 30 BBEDRO C=CC[NH2+][C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001078710343 711944443 /nfs/dbraw/zinc/94/44/43/711944443.db2.gz CEZYHAXMWXIXAE-BDAKNGLRSA-N 1 0 237.303 -0.325 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001078710344 711944338 /nfs/dbraw/zinc/94/43/38/711944338.db2.gz CEZYHAXMWXIXAE-DTWKUNHWSA-N 1 0 237.303 -0.325 20 30 BBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001078710345 711944048 /nfs/dbraw/zinc/94/40/48/711944048.db2.gz CEZYHAXMWXIXAE-IUCAKERBSA-N 1 0 237.303 -0.325 20 30 BBEDRO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001078710346 711944251 /nfs/dbraw/zinc/94/42/51/711944251.db2.gz CEZYHAXMWXIXAE-RKDXNWHRSA-N 1 0 237.303 -0.325 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001078710793 711944079 /nfs/dbraw/zinc/94/40/79/711944079.db2.gz JAJWEDZBCLMYSC-BDAKNGLRSA-N 1 0 235.287 -0.878 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001078710794 711944411 /nfs/dbraw/zinc/94/44/11/711944411.db2.gz JAJWEDZBCLMYSC-DTWKUNHWSA-N 1 0 235.287 -0.878 20 30 BBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001078710795 711944053 /nfs/dbraw/zinc/94/40/53/711944053.db2.gz JAJWEDZBCLMYSC-IUCAKERBSA-N 1 0 235.287 -0.878 20 30 BBEDRO C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001078710796 711944043 /nfs/dbraw/zinc/94/40/43/711944043.db2.gz JAJWEDZBCLMYSC-RKDXNWHRSA-N 1 0 235.287 -0.878 20 30 BBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC001079423490 712347845 /nfs/dbraw/zinc/34/78/45/712347845.db2.gz KMIFDXQVHXACRZ-VXGBXAGGSA-N 1 0 246.314 -0.047 20 30 BBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001079493258 712348898 /nfs/dbraw/zinc/34/88/98/712348898.db2.gz GLDNNRBZCVIKQM-GMTAPVOTSA-N 1 0 249.314 -0.665 20 30 BBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001079774066 712350501 /nfs/dbraw/zinc/35/05/01/712350501.db2.gz NHGAHBMYFSPTLA-GHMZBOCLSA-N 1 0 247.302 -0.652 20 30 BBEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001079774219 712350801 /nfs/dbraw/zinc/35/08/01/712350801.db2.gz WAJKMWRAPJDYDU-GHMZBOCLSA-N 1 0 249.318 -0.099 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001080028582 712352369 /nfs/dbraw/zinc/35/23/69/712352369.db2.gz JLPLKUOYLVICIC-MWLCHTKSSA-N 1 0 247.302 -0.122 20 30 BBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001080259921 712353083 /nfs/dbraw/zinc/35/30/83/712353083.db2.gz NMMCLUXOOCFNIU-GMTAPVOTSA-N 1 0 249.314 -0.808 20 30 BBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001080259922 712353040 /nfs/dbraw/zinc/35/30/40/712353040.db2.gz NMMCLUXOOCFNIU-OUAUKWLOSA-N 1 0 249.314 -0.808 20 30 BBEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080364027 712353199 /nfs/dbraw/zinc/35/31/99/712353199.db2.gz KGJPBHBZUUUJPQ-HTQZYQBOSA-N 1 0 211.265 -0.906 20 30 BBEDRO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080367369 712352764 /nfs/dbraw/zinc/35/27/64/712352764.db2.gz ABEMEPWXYBMHIF-RKDXNWHRSA-N 1 0 225.292 -0.516 20 30 BBEDRO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080369414 712353320 /nfs/dbraw/zinc/35/33/20/712353320.db2.gz XFIRZZNEYGEFOE-NXEZZACHSA-N 1 0 239.319 -0.126 20 30 BBEDRO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001080370967 712353237 /nfs/dbraw/zinc/35/32/37/712353237.db2.gz RGJIONBYUYWNLM-RKDXNWHRSA-N 1 0 225.292 -0.516 20 30 BBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001080458627 712353355 /nfs/dbraw/zinc/35/33/55/712353355.db2.gz CQBIBJKOAHDNMO-CHWFTXMASA-N 1 0 249.314 -0.823 20 30 BBEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001080640981 712354319 /nfs/dbraw/zinc/35/43/19/712354319.db2.gz PHXDZRSZGAPFKR-NXEZZACHSA-N 1 0 247.302 -0.122 20 30 BBEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001080749286 712353711 /nfs/dbraw/zinc/35/37/11/712353711.db2.gz FYCOEKGXDGJRCB-NXEZZACHSA-N 1 0 249.318 -0.030 20 30 BBEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC001080903112 712353811 /nfs/dbraw/zinc/35/38/11/712353811.db2.gz BMNUHFVRNVZXNX-GHMZBOCLSA-N 1 0 249.318 -0.099 20 30 BBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC001080903383 712354026 /nfs/dbraw/zinc/35/40/26/712354026.db2.gz PNBOUQWLWSNUDS-GHMZBOCLSA-N 1 0 247.302 -0.652 20 30 BBEDRO N#Cc1nccnc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164390129 718828902 /nfs/dbraw/zinc/82/89/02/718828902.db2.gz ACFFLYCQTJERAF-JTQLQIEISA-N 1 0 244.302 -0.558 20 30 BBEDRO N#Cc1nccnc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164390130 718828924 /nfs/dbraw/zinc/82/89/24/718828924.db2.gz ACFFLYCQTJERAF-SNVBAGLBSA-N 1 0 244.302 -0.558 20 30 BBEDRO N#Cc1cncc(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164392915 718830649 /nfs/dbraw/zinc/83/06/49/718830649.db2.gz SGPSAXACYMLZAJ-LLVKDONJSA-N 1 0 244.302 -0.558 20 30 BBEDRO N#Cc1cncc(N2CCN3CC[NH2+]C[C@H]3C2)n1 ZINC001164392916 718830699 /nfs/dbraw/zinc/83/06/99/718830699.db2.gz SGPSAXACYMLZAJ-NSHDSACASA-N 1 0 244.302 -0.558 20 30 BBEDRO N#Cc1cnc(N2CCN3CC[NH2+]C[C@@H]3C2)cn1 ZINC001164393386 718830169 /nfs/dbraw/zinc/83/01/69/718830169.db2.gz VIAHCEBOHJTQBJ-LLVKDONJSA-N 1 0 244.302 -0.558 20 30 BBEDRO N#Cc1cnc(N2CCN3CC[NH2+]C[C@H]3C2)cn1 ZINC001164393388 718830183 /nfs/dbraw/zinc/83/01/83/718830183.db2.gz VIAHCEBOHJTQBJ-NSHDSACASA-N 1 0 244.302 -0.558 20 30 BBEDRO C[N@@H+]1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001164668411 719378698 /nfs/dbraw/zinc/37/86/98/719378698.db2.gz NKQIKQVMOSNRCF-GHMZBOCLSA-N 1 0 245.286 -0.133 20 30 BBEDRO C[N@@H+]1CCO[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001164668418 719378926 /nfs/dbraw/zinc/37/89/26/719378926.db2.gz NKQIKQVMOSNRCF-MNOVXSKESA-N 1 0 245.286 -0.133 20 30 BBEDRO C[N@@H+]1CCO[C@H]2CN(c3cncc(C#N)n3)C[C@@H]21 ZINC001164668420 719378933 /nfs/dbraw/zinc/37/89/33/719378933.db2.gz NKQIKQVMOSNRCF-QWRGUYRKSA-N 1 0 245.286 -0.133 20 30 BBEDRO N#CCCN1CCN(c2cc(C[NH3+])ncn2)CC1 ZINC001165055593 722023064 /nfs/dbraw/zinc/02/30/64/722023064.db2.gz BGCMJWDIXRVASB-UHFFFAOYSA-N 1 0 246.318 -0.029 20 30 BBEDRO