smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)(C)C(=O)[O-] ZINC000692662189 976533022 /nfs/dbraw/zinc/53/30/22/976533022.db2.gz UWCDAHXTTBCXDD-NSHDSACASA-N 1 1 242.363 1.656 10 0 BDAEMO CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C(=O)[O-] ZINC000692662189 976533033 /nfs/dbraw/zinc/53/30/33/976533033.db2.gz UWCDAHXTTBCXDD-NSHDSACASA-N 1 1 242.363 1.656 10 0 BDAEMO CC[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)(C)C(=O)[O-] ZINC000692662189 976533042 /nfs/dbraw/zinc/53/30/42/976533042.db2.gz UWCDAHXTTBCXDD-NSHDSACASA-N 1 1 242.363 1.656 10 0 BDAEMO CC[N@H+]1CC[C@@H](C[NH2+]CCC(C)(C)C(=O)[O-])C1 ZINC000395617860 972812916 /nfs/dbraw/zinc/81/29/16/972812916.db2.gz RYKGWQZBZZIUEL-NSHDSACASA-N 1 1 242.363 1.419 10 0 BDAEMO CC[C@H](C(=O)[O-])[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000692658894 954705851 /nfs/dbraw/zinc/70/58/51/954705851.db2.gz IRAFHPFUOYXKGG-WDEREUQCSA-N 1 1 228.336 1.266 10 0 BDAEMO CC[C@H](C(=O)[O-])[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000692658894 954705857 /nfs/dbraw/zinc/70/58/57/954705857.db2.gz IRAFHPFUOYXKGG-WDEREUQCSA-N 1 1 228.336 1.266 10 0 BDAEMO CC[C@H](C(=O)[O-])[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000692658894 954705866 /nfs/dbraw/zinc/70/58/66/954705866.db2.gz IRAFHPFUOYXKGG-WDEREUQCSA-N 1 1 228.336 1.266 10 0 BDAEMO CC[C@H](C(=O)[O-])[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705677717 954937081 /nfs/dbraw/zinc/93/70/81/954937081.db2.gz FLZPUOHXQTVTSW-RAIGVLPGSA-N 1 1 240.347 1.123 10 0 BDAEMO C[N@@H+]1CC=C(C[NH2+]CCC(C)(C)C(=O)[O-])CC1 ZINC000392188853 972423850 /nfs/dbraw/zinc/42/38/50/972423850.db2.gz VHWRDGBZEDSFHP-UHFFFAOYSA-N 1 1 240.347 1.339 10 0 BDAEMO C[NH+](C)C[C@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000688598293 976188495 /nfs/dbraw/zinc/18/84/95/976188495.db2.gz LRMDTBDGZZPCRS-LLVKDONJSA-N 1 1 240.347 1.125 10 0 BDAEMO Cc1[nH+]ccn1CC[NH2+]C(C)(C)CC(=O)[O-] ZINC000694068569 976664967 /nfs/dbraw/zinc/66/49/67/976664967.db2.gz JIVADUKXIJGGLH-UHFFFAOYSA-N 1 1 225.292 1.034 10 0 BDAEMO C/C(=C/C(=O)[O-])C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000705129079 977267974 /nfs/dbraw/zinc/26/79/74/977267974.db2.gz BZTOOVFQUJWDOR-SEVUFMINSA-N 1 1 240.347 1.291 10 0 BDAEMO C/C(=C/C(=O)[O-])C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000705129079 977267981 /nfs/dbraw/zinc/26/79/81/977267981.db2.gz BZTOOVFQUJWDOR-SEVUFMINSA-N 1 1 240.347 1.291 10 0 BDAEMO C/C(=C/C(=O)[O-])C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705129079 977267983 /nfs/dbraw/zinc/26/79/83/977267983.db2.gz BZTOOVFQUJWDOR-SEVUFMINSA-N 1 1 240.347 1.291 10 0 BDAEMO CC(C)[N@@H+]1CC[C@@H](N)[C@]12CCCOCC2 ZINC000685953934 538898719 /nfs/dbraw/zinc/89/87/19/538898719.db2.gz JPMRAJZMKVSZMO-VXGBXAGGSA-N 1 1 212.337 1.367 10 0 BDAEMO CC(C)[N@H+]1CC[C@@H](N)[C@]12CCCOCC2 ZINC000685953934 538898720 /nfs/dbraw/zinc/89/87/20/538898720.db2.gz JPMRAJZMKVSZMO-VXGBXAGGSA-N 1 1 212.337 1.367 10 0 BDAEMO CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12CCSC2 ZINC000685954904 538899740 /nfs/dbraw/zinc/89/97/40/538899740.db2.gz QFHZPBOLQAJVNM-UWVGGRQHSA-N 1 1 200.351 1.304 10 0 BDAEMO CC(C)[N@@H+]1CC[C@H](N)[C@@]12CCSC2 ZINC000685954904 538899741 /nfs/dbraw/zinc/89/97/41/538899741.db2.gz QFHZPBOLQAJVNM-UWVGGRQHSA-N 1 1 200.351 1.304 10 0 BDAEMO CC(C)[N@H+]1CC[C@H](N)[C@@]12CCSC2 ZINC000685954904 538899743 /nfs/dbraw/zinc/89/97/43/538899743.db2.gz QFHZPBOLQAJVNM-UWVGGRQHSA-N 1 1 200.351 1.304 10 0 BDAEMO CC(C)N1CC[C@H]([NH3+])[C@@]12CCSC2 ZINC000685954904 538899744 /nfs/dbraw/zinc/89/97/44/538899744.db2.gz QFHZPBOLQAJVNM-UWVGGRQHSA-N 1 1 200.351 1.304 10 0 BDAEMO CC[N@@H+]1CC[C@@H](N)[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955188 538900325 /nfs/dbraw/zinc/90/03/25/538900325.db2.gz VRJQPRHZDHCKMB-WRWGMCAJSA-N 1 1 212.337 1.366 10 0 BDAEMO CC[N@H+]1CC[C@@H](N)[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955188 538900327 /nfs/dbraw/zinc/90/03/27/538900327.db2.gz VRJQPRHZDHCKMB-WRWGMCAJSA-N 1 1 212.337 1.366 10 0 BDAEMO CC[N@@H+]1CCC(=O)[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955354 538900577 /nfs/dbraw/zinc/90/05/77/538900577.db2.gz YBWZSHAFGTYWTL-PEGIJTEDSA-N 1 1 211.305 1.607 10 0 BDAEMO CC[N@H+]1CCC(=O)[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955354 538900578 /nfs/dbraw/zinc/90/05/78/538900578.db2.gz YBWZSHAFGTYWTL-PEGIJTEDSA-N 1 1 211.305 1.607 10 0 BDAEMO C[NH2+]CC(F)(F)CN1C[C@H]2CC[C@@H]2C1 ZINC000685956134 538902380 /nfs/dbraw/zinc/90/23/80/538902380.db2.gz YCUHFPXRHCLFRM-RKDXNWHRSA-N 1 1 204.264 1.183 10 0 BDAEMO C[NH2+]CC(F)(F)CN1C[C@@H]2CC[C@H]2C1 ZINC000685956133 538902472 /nfs/dbraw/zinc/90/24/72/538902472.db2.gz YCUHFPXRHCLFRM-IUCAKERBSA-N 1 1 204.264 1.183 10 0 BDAEMO CN(CCC1CCC1)CC(F)(F)C[NH3+] ZINC000685956544 538902839 /nfs/dbraw/zinc/90/28/39/538902839.db2.gz FHNRDECBKKARTR-UHFFFAOYSA-N 1 1 206.280 1.702 10 0 BDAEMO C[NH2+]CC(F)(F)COCCC(F)(F)F ZINC000685956612 538903095 /nfs/dbraw/zinc/90/30/95/538903095.db2.gz HAZMKKUBAPDNKU-UHFFFAOYSA-N 1 1 221.169 1.810 10 0 BDAEMO [NH3+]CC(F)(F)CN1CC[C@H](C(F)F)C1 ZINC000685956743 538903376 /nfs/dbraw/zinc/90/33/76/538903376.db2.gz FJATWJKPOQEEMC-LURJTMIESA-N 1 1 214.206 1.167 10 0 BDAEMO CC[NH2+]CC(F)(F)CN(C)[C@H](C)CC ZINC000685956744 538903536 /nfs/dbraw/zinc/90/35/36/538903536.db2.gz INLNCNYLLICSHT-SECBINFHSA-N 1 1 208.296 1.962 10 0 BDAEMO CSC(C)(C)CN(C)CC(F)(F)C[NH3+] ZINC000685957142 538903922 /nfs/dbraw/zinc/90/39/22/538903922.db2.gz RMFFUZPYQMKMQR-UHFFFAOYSA-N 1 1 226.336 1.654 10 0 BDAEMO [NH3+]CC(F)(F)CN1CCC[C@H]1C1CC1 ZINC000685957509 538905133 /nfs/dbraw/zinc/90/51/33/538905133.db2.gz TYEAQXJPFYRZGN-VIFPVBQESA-N 1 1 204.264 1.455 10 0 BDAEMO NCC(F)(F)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000685957509 538905134 /nfs/dbraw/zinc/90/51/34/538905134.db2.gz TYEAQXJPFYRZGN-VIFPVBQESA-N 1 1 204.264 1.455 10 0 BDAEMO NCC(F)(F)C[N@H+]1CCC[C@H]1C1CC1 ZINC000685957509 538905135 /nfs/dbraw/zinc/90/51/35/538905135.db2.gz TYEAQXJPFYRZGN-VIFPVBQESA-N 1 1 204.264 1.455 10 0 BDAEMO CC[C@H](C)N(CC)CC(F)(F)C[NH2+]C ZINC000685958098 538905543 /nfs/dbraw/zinc/90/55/43/538905543.db2.gz OTLARMWUTQIHRQ-VIFPVBQESA-N 1 1 208.296 1.962 10 0 BDAEMO CCCCN(CC)CC(F)(F)C[NH2+]C ZINC000685958402 538906017 /nfs/dbraw/zinc/90/60/17/538906017.db2.gz YHZUOOWRQBNOMM-UHFFFAOYSA-N 1 1 208.296 1.963 10 0 BDAEMO CCCN(CC(F)(F)C[NH2+]C)C(C)C ZINC000685958410 538906055 /nfs/dbraw/zinc/90/60/55/538906055.db2.gz YOWXGKFQHDSVPO-UHFFFAOYSA-N 1 1 208.296 1.962 10 0 BDAEMO CC[C@@H]([NH2+]CCC[C@H](C)OC)C(=O)OC ZINC000685960931 538907941 /nfs/dbraw/zinc/90/79/41/538907941.db2.gz HLYWLJPEGQIJKX-VHSXEESVSA-N 1 1 217.309 1.343 10 0 BDAEMO CCc1nnc([C@H](C)[NH2+][C@@H](C)COC)o1 ZINC000309052543 349437343 /nfs/dbraw/zinc/43/73/43/349437343.db2.gz RSUVYSXDGDBABD-YUMQZZPRSA-N 1 1 213.281 1.318 10 0 BDAEMO CN1CC[C@@H]([NH3+])[C@H](Cc2cccc(F)c2)C1 ZINC000036352051 343979035 /nfs/dbraw/zinc/97/90/35/343979035.db2.gz NTVLHMJXZIPRNF-DGCLKSJQSA-N 1 1 222.307 1.647 10 0 BDAEMO OCC[C@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000161580458 349475825 /nfs/dbraw/zinc/47/58/25/349475825.db2.gz ODWUVMMYKSJHKE-GFCCVEGCSA-N 1 1 220.316 1.328 10 0 BDAEMO NCC[N@@H+]1CC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616612110 349477625 /nfs/dbraw/zinc/47/76/25/349477625.db2.gz NTNPMNWFRFUGPK-CQSZACIVSA-N 1 1 241.338 1.983 10 0 BDAEMO NCC[N@H+]1CC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616612110 349477626 /nfs/dbraw/zinc/47/76/26/349477626.db2.gz NTNPMNWFRFUGPK-CQSZACIVSA-N 1 1 241.338 1.983 10 0 BDAEMO c1cc([C@@H]2[NH2+]CCc3ccccc32)on1 ZINC000616588701 349498595 /nfs/dbraw/zinc/49/85/95/349498595.db2.gz SUHGTBOCIKLHBY-GFCCVEGCSA-N 1 1 200.241 1.910 10 0 BDAEMO Cc1cc(CN[C@H]2CCC[NH2+]CC2)ccn1 ZINC000336233720 178040120 /nfs/dbraw/zinc/04/01/20/178040120.db2.gz BYQNSNPLOYUEOY-ZDUSSCGKSA-N 1 1 219.332 1.622 10 0 BDAEMO Cc1cc(Cl)ccc1OC(=O)[C@@H](C)[NH3+] ZINC000049815524 178068680 /nfs/dbraw/zinc/06/86/80/178068680.db2.gz IHUMCXMHDRMQNF-SSDOTTSWSA-N 1 1 213.664 1.901 10 0 BDAEMO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)o1 ZINC000649951655 398195873 /nfs/dbraw/zinc/19/58/73/398195873.db2.gz KJYGWXQJGYMTRR-GXSJLCMTSA-N 1 1 224.304 1.637 10 0 BDAEMO CN1CCC[C@H]1C[N@H+]1CCCC[C@H]1CCO ZINC000386302340 398204942 /nfs/dbraw/zinc/20/49/42/398204942.db2.gz KNIWSODTHASWMS-STQMWFEESA-N 1 1 226.364 1.318 10 0 BDAEMO CC[N@@H+](C[C@@H]1CCCN1C)CC(C)(C)O ZINC000386291241 398205021 /nfs/dbraw/zinc/20/50/21/398205021.db2.gz HXBHEAHCKHPMNC-NSHDSACASA-N 1 1 214.353 1.173 10 0 BDAEMO Cc1cc(NCC[N@H+](C)C(C)C)nnc1C ZINC000302821605 178159815 /nfs/dbraw/zinc/15/98/15/178159815.db2.gz RBONWRZRKXBHBL-UHFFFAOYSA-N 1 1 222.336 1.846 10 0 BDAEMO Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)ccc1N ZINC000049505710 178178745 /nfs/dbraw/zinc/17/87/45/178178745.db2.gz OWLOQCGMNQFZKV-LBPRGKRZSA-N 1 1 249.358 1.710 10 0 BDAEMO Cc1cc(N[C@@H]2CCO[C@@H]2C)nc(C)[nH+]1 ZINC000134569685 178182152 /nfs/dbraw/zinc/18/21/52/178182152.db2.gz HMEBOEOILASMNZ-PSASIEDQSA-N 1 1 207.277 1.683 10 0 BDAEMO Cc1cc(OC(=O)C[NH3+])cc(C)c1Cl ZINC000049815533 178206685 /nfs/dbraw/zinc/20/66/85/178206685.db2.gz PSJVPOKJZOLGTA-UHFFFAOYSA-N 1 1 213.664 1.821 10 0 BDAEMO Cc1cc([C@@H]([NH3+])c2nccn2C)c(C)o1 ZINC000041048279 178237554 /nfs/dbraw/zinc/23/75/54/178237554.db2.gz AQNLTQXIWPGHFS-SNVBAGLBSA-N 1 1 205.261 1.678 10 0 BDAEMO CC1(C)C[N@H+]([C@H]2C[C@H]2CO)CCS1 ZINC000306659043 361869170 /nfs/dbraw/zinc/86/91/70/361869170.db2.gz JHDQLWDKCILDFR-IUCAKERBSA-N 1 1 201.335 1.195 10 0 BDAEMO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cocn2)cn1 ZINC000191976475 538993768 /nfs/dbraw/zinc/99/37/68/538993768.db2.gz KORNAGSXIGDZBZ-LBPRGKRZSA-N 1 1 232.287 1.536 10 0 BDAEMO c1cn(C[C@@H]2CCC[N@H+]2Cc2cocn2)cn1 ZINC000191976475 538993770 /nfs/dbraw/zinc/99/37/70/538993770.db2.gz KORNAGSXIGDZBZ-LBPRGKRZSA-N 1 1 232.287 1.536 10 0 BDAEMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc(F)cn2)C1 ZINC000381484429 539001983 /nfs/dbraw/zinc/00/19/83/539001983.db2.gz UROVTFADKGKWIP-MWLCHTKSSA-N 1 1 223.295 1.973 10 0 BDAEMO CS[C@@H]1CCCN(CC(F)(F)C[NH3+])C1 ZINC000382922344 539011352 /nfs/dbraw/zinc/01/13/52/539011352.db2.gz CORFNIIBAATFJG-MRVPVSSYSA-N 1 1 224.320 1.408 10 0 BDAEMO CC[N@@H+]1CCC[C@]2(CC1)N[C@@H](C)CS2 ZINC000226585186 342842414 /nfs/dbraw/zinc/84/24/14/342842414.db2.gz TTYJMZSNWLOZHQ-QWRGUYRKSA-N 1 1 214.378 1.913 10 0 BDAEMO CC[N@H+]1CCC[C@]2(CC1)N[C@@H](C)CS2 ZINC000226585186 342842416 /nfs/dbraw/zinc/84/24/16/342842416.db2.gz TTYJMZSNWLOZHQ-QWRGUYRKSA-N 1 1 214.378 1.913 10 0 BDAEMO CC(C)[C@@H]1CCC[N@@H+]1CC(F)(F)CN ZINC000389297299 539016094 /nfs/dbraw/zinc/01/60/94/539016094.db2.gz HCBBNABJAZYILZ-VIFPVBQESA-N 1 1 206.280 1.701 10 0 BDAEMO CC(C)[C@@H]1CCC[N@H+]1CC(F)(F)CN ZINC000389297299 539016096 /nfs/dbraw/zinc/01/60/96/539016096.db2.gz HCBBNABJAZYILZ-VIFPVBQESA-N 1 1 206.280 1.701 10 0 BDAEMO CC(C)[C@@H]1CCCN1CC(F)(F)C[NH3+] ZINC000389297299 539016097 /nfs/dbraw/zinc/01/60/97/539016097.db2.gz HCBBNABJAZYILZ-VIFPVBQESA-N 1 1 206.280 1.701 10 0 BDAEMO O=C1CCCCC[C@@H]1C[NH+]1CCOCC1 ZINC000032603146 342855194 /nfs/dbraw/zinc/85/51/94/342855194.db2.gz FLWUUKDEENRPQC-LLVKDONJSA-N 1 1 211.305 1.468 10 0 BDAEMO C[C@@]1(c2nnc(C[NH3+])s2)CCCS1 ZINC000164992801 342864143 /nfs/dbraw/zinc/86/41/43/342864143.db2.gz LJGUQQVXOMNBEH-QMMMGPOBSA-N 1 1 215.347 1.739 10 0 BDAEMO Cc1cccc([C@@]2(O)C[N@H+](C)C[C@@H]2C)c1 ZINC000521401578 398305113 /nfs/dbraw/zinc/30/51/13/398305113.db2.gz JCXDJNFSKKWOCZ-WCQYABFASA-N 1 1 205.301 1.764 10 0 BDAEMO Cc1cccc([C@@]2(O)C[N@H+](C)C[C@H]2C)c1 ZINC000521401577 398305302 /nfs/dbraw/zinc/30/53/02/398305302.db2.gz JCXDJNFSKKWOCZ-DGCLKSJQSA-N 1 1 205.301 1.764 10 0 BDAEMO CN[C@@]1(C(F)F)C[C@H](C)[N@H+](C2CC2)C1 ZINC000229950368 342858625 /nfs/dbraw/zinc/85/86/25/342858625.db2.gz VRJPXBJTZZOSHQ-XVKPBYJWSA-N 1 1 204.264 1.466 10 0 BDAEMO NC(=S)CC[N@H+]1CC[C@@H]2CCCC[C@H]21 ZINC000134821246 342893846 /nfs/dbraw/zinc/89/38/46/342893846.db2.gz WLCIUUHDDUFLKF-VHSXEESVSA-N 1 1 212.362 1.927 10 0 BDAEMO C[C@@H]1OCC[C@@H]1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000300612112 398323937 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CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H]2CC)n1C ZINC000249464932 535846238 /nfs/dbraw/zinc/84/62/38/535846238.db2.gz SCIBWJOVYIJIQF-GHMZBOCLSA-N 1 1 236.363 1.998 10 0 BDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1C ZINC000253548279 535874747 /nfs/dbraw/zinc/87/47/47/535874747.db2.gz FSZBAQAXUSXVDZ-FDYHWXHSSA-N 1 1 236.359 1.728 10 0 BDAEMO CCc1noc(C)c1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000335375929 535876612 /nfs/dbraw/zinc/87/66/12/535876612.db2.gz MVASSDFXCHFIKI-RNCFNFMXSA-N 1 1 238.331 1.891 10 0 BDAEMO CC[C@H](C)[C@H](C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000248612871 535926529 /nfs/dbraw/zinc/92/65/29/535926529.db2.gz WOGRBHVQOJSAGQ-AVGNSLFASA-N 1 1 238.375 1.975 10 0 BDAEMO CC[C@@](C)(O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000249095517 536004191 /nfs/dbraw/zinc/00/41/91/536004191.db2.gz IHRRZDZWAXUNJG-QWHCGFSZSA-N 1 1 237.347 1.718 10 0 BDAEMO COC[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2O)C1 ZINC000229971598 536760609 /nfs/dbraw/zinc/76/06/09/536760609.db2.gz IVGIBHSZZCCLMF-UPJWGTAASA-N 1 1 227.348 1.648 10 0 BDAEMO COC[C@H](C)CN1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757128257 582503315 /nfs/dbraw/zinc/50/33/15/582503315.db2.gz JWMQKBGFOKQSFE-HZSPNIEDSA-N 1 1 240.391 1.875 10 0 BDAEMO COC[C@H](C)CN1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757128265 582503460 /nfs/dbraw/zinc/50/34/60/582503460.db2.gz JWMQKBGFOKQSFE-RDBSUJKOSA-N 1 1 240.391 1.875 10 0 BDAEMO CN(C)CC[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757129608 582503862 /nfs/dbraw/zinc/50/38/62/582503862.db2.gz MLLAHOHGRLCZAN-AWEZNQCLSA-N 1 1 237.391 1.108 10 0 BDAEMO CN(C)CC[N@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757129608 582503863 /nfs/dbraw/zinc/50/38/63/582503863.db2.gz MLLAHOHGRLCZAN-AWEZNQCLSA-N 1 1 237.391 1.108 10 0 BDAEMO COC[C@H](C)CN1CCC[C@]12CC[NH2+]C2 ZINC000757134150 582510185 /nfs/dbraw/zinc/51/01/85/582510185.db2.gz KQHHRJIHZVBRSZ-VXGBXAGGSA-N 1 1 212.337 1.097 10 0 BDAEMO C1CC1N1CCC2(CC1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757143130 582522983 /nfs/dbraw/zinc/52/29/83/582522983.db2.gz MEGQNEQCMIZOJN-YPMHNXCESA-N 1 1 236.359 1.729 10 0 BDAEMO C[N@@H+]1CCC[C@@]2(CC1)NCCC(C)(C)O2 ZINC000757143771 582524105 /nfs/dbraw/zinc/52/41/05/582524105.db2.gz FHIJTIQPWQTGND-GFCCVEGCSA-N 1 1 212.337 1.587 10 0 BDAEMO C[N@H+]1CCC[C@@]2(CC1)NCCC(C)(C)O2 ZINC000757143771 582524106 /nfs/dbraw/zinc/52/41/06/582524106.db2.gz FHIJTIQPWQTGND-GFCCVEGCSA-N 1 1 212.337 1.587 10 0 BDAEMO CC(C)(C)[C@@H]1C[NH2+][C@]2(CCCNC2)OC1 ZINC000757143766 582524197 /nfs/dbraw/zinc/52/41/97/582524197.db2.gz FFJZRDSTNKTANX-ZYHUDNBSSA-N 1 1 212.337 1.348 10 0 BDAEMO CC(C)[C@@H]1O[C@]2(CCCNC2)[NH2+]CC1(C)C ZINC000757145277 582527567 /nfs/dbraw/zinc/52/75/67/582527567.db2.gz IERBJOLQBYHZGM-AAEUAGOBSA-N 1 1 226.364 1.737 10 0 BDAEMO COC(=O)[C@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757166935 582547554 /nfs/dbraw/zinc/54/75/54/582547554.db2.gz YDXDQXAGQDWJGD-SSDOTTSWSA-N 1 1 249.719 1.667 10 0 BDAEMO C[C@@H]1C[C@H](c2ccc(C(=O)[O-])cc2)[NH2+]C[C@H]1[NH3+] ZINC000757217885 582562771 /nfs/dbraw/zinc/56/27/71/582562771.db2.gz TUDGEHXCDWYBMG-GGZOMVNGSA-N 1 1 234.299 1.383 10 0 BDAEMO C[C@@H]1CC[C@H](N)[C@@H](c2ccc(C(=O)[O-])cc2)[NH2+]1 ZINC000757234693 582563184 /nfs/dbraw/zinc/56/31/84/582563184.db2.gz LFDXVVLBVYUCSX-JFUSQASVSA-N 1 1 234.299 1.525 10 0 BDAEMO Cc1cn2c(n1)NCC[C@@H]2[C@@H]1CCC[NH2+]C1 ZINC000236045307 582637849 /nfs/dbraw/zinc/63/78/49/582637849.db2.gz IQBYMUBGHCBRCK-GHMZBOCLSA-N 1 1 220.320 1.548 10 0 BDAEMO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2COc3ccccc32)C1 ZINC000223018005 583179716 /nfs/dbraw/zinc/17/97/16/583179716.db2.gz XWURPFUTZWATFR-NQBHXWOUSA-N 1 1 232.327 1.980 10 0 BDAEMO COc1ccc([C@@H]2CCOC3(C[NH2+]C3)N2)cc1 ZINC000757141858 586427586 /nfs/dbraw/zinc/42/75/86/586427586.db2.gz RQPQQMWJBTUZHN-LBPRGKRZSA-N 1 1 234.299 1.046 10 0 BDAEMO CCOC(=O)/C=C1/CC[N@H+]2CCC[C@H]2C1 ZINC000757189124 586435241 /nfs/dbraw/zinc/43/52/41/586435241.db2.gz FHMCWLLCFZOEPS-JUDLJHIGSA-N 1 1 209.289 1.734 10 0 BDAEMO C[C@@H]1CC[NH2+][C@H](c2ccc(C=O)s2)[C@H]1N ZINC000757207244 586437670 /nfs/dbraw/zinc/43/76/70/586437670.db2.gz BHDRYEKVERJLIK-PPKCKEKNSA-N 1 1 224.329 1.558 10 0 BDAEMO CC(=O)c1cccc([C@@H]2CC[C@H](C[NH3+])CN2)c1 ZINC000757212319 586439575 /nfs/dbraw/zinc/43/95/75/586439575.db2.gz IBLUUUWRPNVNOQ-RISCZKNCSA-N 1 1 232.327 1.889 10 0 BDAEMO CC(=O)c1ccc([C@@H]2[NH2+]CC[C@H](C)[C@@H]2N)cc1 ZINC000757215899 586440765 /nfs/dbraw/zinc/44/07/65/586440765.db2.gz NZWDGFVQESJCOR-HERUPUMHSA-N 1 1 232.327 1.887 10 0 BDAEMO C[C@@H]1[NH2+][C@@H](c2ccc(C(=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000757233044 586443452 /nfs/dbraw/zinc/44/34/52/586443452.db2.gz JMJXDPAPISJJOB-XXILOJSOSA-N 1 1 234.299 1.525 10 0 BDAEMO C[N@H+]1CCCN(c2nc3cccnc3[nH]2)CC1 ZINC000757570237 586462628 /nfs/dbraw/zinc/46/26/28/586462628.db2.gz VRMHZMVORGUCOY-UHFFFAOYSA-N 1 1 231.303 1.100 10 0 BDAEMO CC[C@@H]1CN(C/C=C/Cl)CC[N@H+]1CCOC ZINC000105914713 588229396 /nfs/dbraw/zinc/22/93/96/588229396.db2.gz FCTZDJYADXHCKD-ZYOFXKKJSA-N 1 1 246.782 1.782 10 0 BDAEMO CCNC(=S)N(C)C[C@H]1CCC[N@H+]1CC ZINC000128940411 591191719 /nfs/dbraw/zinc/19/17/19/591191719.db2.gz XOZQKLMMPALHMV-SNVBAGLBSA-N 1 1 229.393 1.297 10 0 BDAEMO CO[C@H](c1noc(C[NH2+]C(C)C)n1)C1CC1 ZINC000131241496 591577524 /nfs/dbraw/zinc/57/75/24/591577524.db2.gz DTAJPHWMAOFVRC-JTQLQIEISA-N 1 1 225.292 1.665 10 0 BDAEMO CCONC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000133183368 591776210 /nfs/dbraw/zinc/77/62/10/591776210.db2.gz UQTXMAXTHRBYMB-LLVKDONJSA-N 1 1 243.351 1.358 10 0 BDAEMO OCCCCCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000226838026 635443957 /nfs/dbraw/zinc/44/39/57/635443957.db2.gz YVCSMXMOOAJACX-CYBMUJFWSA-N 1 1 226.364 1.319 10 0 BDAEMO C[C@H](O)[C@H](C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000309957100 632686603 /nfs/dbraw/zinc/68/66/03/632686603.db2.gz IWSJGXRPZAGEQA-IUCAKERBSA-N 1 1 219.288 1.422 10 0 BDAEMO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ncc[nH]1 ZINC000328632078 633816980 /nfs/dbraw/zinc/81/69/80/633816980.db2.gz AEFWCVWNVGRCHA-JGVFFNPUSA-N 1 1 208.265 1.179 10 0 BDAEMO CCCCOC[C@H](O)C[N@H+]1CCCOC[C@H]1C ZINC000399326161 635243043 /nfs/dbraw/zinc/24/30/43/635243043.db2.gz MHYWCLOVXGFVJW-CHWSQXEVSA-N 1 1 245.363 1.275 10 0 BDAEMO CC[NH2+][C@@H](C)c1nc([C@@H](OC)C2CC2)no1 ZINC000158872119 635757419 /nfs/dbraw/zinc/75/74/19/635757419.db2.gz CIMVRGUEXARYCG-CBAPKCEASA-N 1 1 225.292 1.838 10 0 BDAEMO CCOCCC[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228696162 636539034 /nfs/dbraw/zinc/53/90/34/636539034.db2.gz YEYUSHFGKJAEQN-QWRGUYRKSA-N 1 1 229.320 1.154 10 0 BDAEMO C[C@@H]1C[C@@H]1c1noc(C2([NH3+])CCOCC2)n1 ZINC000149576522 638658059 /nfs/dbraw/zinc/65/80/59/638658059.db2.gz JNYLOXLWVVKPDK-SFYZADRCSA-N 1 1 223.276 1.157 10 0 BDAEMO CCc1[nH+]ccn1CCC[C@@](C)([NH3+])C(=O)[O-] ZINC000045460534 640566309 /nfs/dbraw/zinc/56/63/09/640566309.db2.gz AGXFKIHWTNCEJM-LLVKDONJSA-N 1 1 225.292 1.028 10 0 BDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCCCCO ZINC000226838790 640802495 /nfs/dbraw/zinc/80/24/95/640802495.db2.gz GXSUYHQUAPVPND-UONOGXRCSA-N 1 1 240.391 1.708 10 0 BDAEMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1C[C@@H](O)C1CC1 ZINC000227382664 640830784 /nfs/dbraw/zinc/83/07/84/640830784.db2.gz MFJJCRFWKADSEO-MRVWCRGKSA-N 1 1 238.375 1.316 10 0 BDAEMO CC[N@@H+]1CCC[C@H](NCc2ccc(F)nc2)C1 ZINC000189006448 641781956 /nfs/dbraw/zinc/78/19/56/641781956.db2.gz NFBVXOHWPNEURL-LBPRGKRZSA-N 1 1 237.322 1.795 10 0 BDAEMO CC[N@H+]1CCC[C@H](NCc2ccc(F)nc2)C1 ZINC000189006448 641781962 /nfs/dbraw/zinc/78/19/62/641781962.db2.gz NFBVXOHWPNEURL-LBPRGKRZSA-N 1 1 237.322 1.795 10 0 BDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C=C2CCC2)C1 ZINC000246845958 643080331 /nfs/dbraw/zinc/08/03/31/643080331.db2.gz FDQJAVOADMKLKK-WCQYABFASA-N 1 1 236.359 1.942 10 0 BDAEMO Cc1[nH+]ccn1-c1nc2sccn2c1C=O ZINC000035428479 643250361 /nfs/dbraw/zinc/25/03/61/643250361.db2.gz GUZCKSLOEYOTOI-UHFFFAOYSA-N 1 1 232.268 1.702 10 0 BDAEMO c1ccc2c(c1)C[C@@H]2C[N@H+]1CCC2(C1)OCCO2 ZINC000306929826 643300262 /nfs/dbraw/zinc/30/02/62/643300262.db2.gz CPJWXIFIQMIBIV-CYBMUJFWSA-N 1 1 245.322 1.775 10 0 BDAEMO COCC[C@@H]([NH3+])c1nc(CC(C)(C)C)no1 ZINC000082673355 643365906 /nfs/dbraw/zinc/36/59/06/643365906.db2.gz ONLNTNHHPWQYMJ-MRVPVSSYSA-N 1 1 227.308 1.695 10 0 BDAEMO Cc1[nH+]cn([C@H](C)C[C@@](C)([NH3+])C(=O)[O-])c1C ZINC000082802857 643525595 /nfs/dbraw/zinc/52/55/95/643525595.db2.gz VFRXICWGVDDIPG-RDDDGLTNSA-N 1 1 225.292 1.253 10 0 BDAEMO CC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083527062 643536852 /nfs/dbraw/zinc/53/68/52/643536852.db2.gz JCEXCXNKCYGTPY-STQMWFEESA-N 1 1 225.332 1.857 10 0 BDAEMO C/C=C/C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000086409625 644130731 /nfs/dbraw/zinc/13/07/31/644130731.db2.gz QIVCOWYKUGTDQP-ZPMKCOPCSA-N 1 1 210.321 1.505 10 0 BDAEMO CC(C)[C@H](C)NC(=O)c1csc([C@@H](C)[NH3+])n1 ZINC000085548162 644442284 /nfs/dbraw/zinc/44/22/84/644442284.db2.gz QVLQORYTWZUHNM-SFYZADRCSA-N 1 1 241.360 1.937 10 0 BDAEMO C[C@@H](NC(=O)c1csc([C@H](C)[NH3+])n1)C1CC1 ZINC000085548502 644443583 /nfs/dbraw/zinc/44/35/83/644443583.db2.gz UPNQKKIOSHUTPZ-NKWVEPMBSA-N 1 1 239.344 1.691 10 0 BDAEMO COC(=O)[C@H]1C[N@@H+](CCOC(C)C)C[C@H]1C ZINC000094996593 644734407 /nfs/dbraw/zinc/73/44/07/644734407.db2.gz IODOJYFEYVVPGQ-MNOVXSKESA-N 1 1 229.320 1.152 10 0 BDAEMO CC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000250518484 644762027 /nfs/dbraw/zinc/76/20/27/644762027.db2.gz JCEXCXNKCYGTPY-QWHCGFSZSA-N 1 1 225.332 1.857 10 0 BDAEMO C[C@](O)(C[N@H+]1CC[C@H](CCO)C1)c1ccccc1 ZINC000252890853 644922211 /nfs/dbraw/zinc/92/22/11/644922211.db2.gz IOMLRRKCNDOTFW-HIFRSBDPSA-N 1 1 249.354 1.598 10 0 BDAEMO OC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000378699953 712358375 /nfs/dbraw/zinc/35/83/75/712358375.db2.gz MUPRKSGDWKAOCI-HZSPNIEDSA-N 1 1 241.375 1.632 10 0 BDAEMO C=C/C=C\CC[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000713743996 712471509 /nfs/dbraw/zinc/47/15/09/712471509.db2.gz HQSFQRPNOAJTLS-ABZJQCSKSA-N 1 1 223.316 1.860 10 0 BDAEMO Cc1conc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000720378961 712836907 /nfs/dbraw/zinc/83/69/07/712836907.db2.gz LCHMAJFEKHAYQV-VHSXEESVSA-N 1 1 210.277 1.328 10 0 BDAEMO Cc1conc1C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000720378961 712836908 /nfs/dbraw/zinc/83/69/08/712836908.db2.gz LCHMAJFEKHAYQV-VHSXEESVSA-N 1 1 210.277 1.328 10 0 BDAEMO CCCCOC[C@@H](O)C[N@H+]1CCO[C@@H](C)CC1 ZINC000720423668 712841810 /nfs/dbraw/zinc/84/18/10/712841810.db2.gz CFUVKWRTGQVBHM-STQMWFEESA-N 1 1 245.363 1.275 10 0 BDAEMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000723107820 710726930 /nfs/dbraw/zinc/72/69/30/710726930.db2.gz WKZIEYLOTBMNIY-WHOHXGKFSA-N 1 1 225.332 1.773 10 0 BDAEMO Cc1cnc(CN[C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000724034384 711557147 /nfs/dbraw/zinc/55/71/47/711557147.db2.gz PCIHITCHMNOIKN-STQMWFEESA-N 1 1 233.359 1.915 10 0 BDAEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000724192824 711568424 /nfs/dbraw/zinc/56/84/24/711568424.db2.gz MWYHFZNODNEVBZ-ZDEQEGDKSA-N 1 1 227.348 1.647 10 0 BDAEMO CO[C@@H](c1noc(C[C@@H]([NH3+])C(F)F)n1)C1CC1 ZINC000725079797 711649659 /nfs/dbraw/zinc/64/96/59/711649659.db2.gz DXQPJBHIJUSBMY-HTRCEHHLSA-N 1 1 247.245 1.302 10 0 BDAEMO C(C[N@H+]1C[C@@H]2CCC[C@@H]21)C1OCCCO1 ZINC000706940356 712162374 /nfs/dbraw/zinc/16/23/74/712162374.db2.gz ZRUQDHLKZLDHMH-QWRGUYRKSA-N 1 1 211.305 1.624 10 0 BDAEMO C[N@@H+](C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC000708709472 712197593 /nfs/dbraw/zinc/19/75/93/712197593.db2.gz WWTVPCLOSOXSSS-FDYHWXHSSA-N 1 1 227.348 1.383 10 0 BDAEMO C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)C[C@H]1CO ZINC000708699349 712197626 /nfs/dbraw/zinc/19/76/26/712197626.db2.gz USBWKNXLIZPAJN-KOLCDFICSA-N 1 1 240.734 1.795 10 0 BDAEMO OC1(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CCC1 ZINC000711575326 712311243 /nfs/dbraw/zinc/31/12/43/712311243.db2.gz CYPXXQHZABQAJE-AOOOYVTPSA-N 1 1 213.346 1.196 10 0 BDAEMO O[C@]12CCCC[C@H]1C[N@@H+](CCOC1CC1)CC2 ZINC000711653969 712313969 /nfs/dbraw/zinc/31/39/69/712313969.db2.gz GXANXXKJWURXJN-JSGCOSHPSA-N 1 1 239.359 1.792 10 0 BDAEMO CC(=O)[C@@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711766180 712327072 /nfs/dbraw/zinc/32/70/72/712327072.db2.gz ROQNYPHWGGTKEY-LLVKDONJSA-N 1 1 211.305 1.466 10 0 BDAEMO COCC1CC([NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000713972513 712475738 /nfs/dbraw/zinc/47/57/38/712475738.db2.gz JBJFQPRGHHJNTE-RTYFJBAXSA-N 1 1 235.331 1.802 10 0 BDAEMO OC1(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCCCC1 ZINC000715385643 712522405 /nfs/dbraw/zinc/52/24/05/712522405.db2.gz GNDHNTZBSPMBLJ-AOOOYVTPSA-N 1 1 231.286 1.879 10 0 BDAEMO CC(C)(O)[C@@H]1CCC[N@@H+](CC2(O)CCC2)C1 ZINC000719662210 712818253 /nfs/dbraw/zinc/81/82/53/712818253.db2.gz SGQJYDOKEULMGP-LLVKDONJSA-N 1 1 227.348 1.384 10 0 BDAEMO CC(=O)[C@@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719811554 712823191 /nfs/dbraw/zinc/82/31/91/712823191.db2.gz UNJASDOVNDEBER-LLVKDONJSA-N 1 1 238.356 1.987 10 0 BDAEMO CCc1nc(N[C@@H](C)c2cn(C)nn2)cc(C)[nH+]1 ZINC000720524465 712849240 /nfs/dbraw/zinc/84/92/40/712849240.db2.gz LUYIOUSPWQJEOL-VIFPVBQESA-N 1 1 246.318 1.649 10 0 BDAEMO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)nnc2C)C1 ZINC000720544983 712850134 /nfs/dbraw/zinc/85/01/34/712850134.db2.gz KIIUUJOLLHILPL-CYBMUJFWSA-N 1 1 247.342 1.894 10 0 BDAEMO OCC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720560727 712851151 /nfs/dbraw/zinc/85/11/51/712851151.db2.gz IGGRPDFQLJLMOQ-XDQVBPFNSA-N 1 1 239.359 1.648 10 0 BDAEMO OCC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720560725 712851174 /nfs/dbraw/zinc/85/11/74/712851174.db2.gz IGGRPDFQLJLMOQ-CRWXNKLISA-N 1 1 239.359 1.648 10 0 BDAEMO Cc1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720606309 712857767 /nfs/dbraw/zinc/85/77/67/712857767.db2.gz MZWQFLQKQJIRDJ-ZANVPECISA-N 1 1 234.347 1.120 10 0 BDAEMO C[C@@H]1CC[C@H](c2nc(C3([NH3+])CC3)no2)O1 ZINC000721058201 712888731 /nfs/dbraw/zinc/88/87/31/712888731.db2.gz HKUGXRPVSZNDJJ-RNFRBKRXSA-N 1 1 209.249 1.257 10 0 BDAEMO C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000691357208 976352685 /nfs/dbraw/zinc/35/26/85/976352685.db2.gz ANWWNRQKFJLUQS-CMPLNLGQSA-N 1 1 240.347 1.123 10 0 BDAEMO CC[C@@](C)([NH2+]CCCn1cc[nH+]c1C)C(=O)[O-] ZINC000699511688 976918386 /nfs/dbraw/zinc/91/83/86/976918386.db2.gz UHPOPBODFBFLLJ-GFCCVEGCSA-N 1 1 239.319 1.425 10 0 BDAEMO CCC[N@H+]1CCC(=O)[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685953522 538897754 /nfs/dbraw/zinc/89/77/54/538897754.db2.gz IDXPDEYZHMSZTG-PJXYFTJBSA-N 1 1 225.332 1.997 10 0 BDAEMO [NH3+]CC(F)(F)COc1cncc(F)c1 ZINC000685956102 538902178 /nfs/dbraw/zinc/90/21/78/538902178.db2.gz XIWDFRBNRIMWFI-UHFFFAOYSA-N 1 1 206.167 1.194 10 0 BDAEMO CC[NH2+]CC(F)(F)CN(CC)C1CC1 ZINC000685956256 538902500 /nfs/dbraw/zinc/90/25/00/538902500.db2.gz BAWWCMZLCNNJCT-UHFFFAOYSA-N 1 1 206.280 1.716 10 0 BDAEMO CN(C[C@H]1CCSC1)CC(F)(F)C[NH3+] ZINC000685957189 538903514 /nfs/dbraw/zinc/90/35/14/538903514.db2.gz UDKIXWFTPZUUOK-MRVPVSSYSA-N 1 1 224.320 1.265 10 0 BDAEMO C[NH2+]CC(F)(F)COCC(C)(F)F ZINC000685957147 538903990 /nfs/dbraw/zinc/90/39/90/538903990.db2.gz RTBKFIAAKAQYFZ-UHFFFAOYSA-N 1 1 203.179 1.513 10 0 BDAEMO C[C@@H]1C[C@@]1(C)CN(C)CC(F)(F)C[NH3+] ZINC000685957715 538904667 /nfs/dbraw/zinc/90/46/67/538904667.db2.gz YRSXXTAEUDYQQR-BDAKNGLRSA-N 1 1 206.280 1.558 10 0 BDAEMO CNCC(F)(F)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000685957951 538905347 /nfs/dbraw/zinc/90/53/47/538905347.db2.gz MFCPVPHDWDXOPO-IUCAKERBSA-N 1 1 206.280 1.571 10 0 BDAEMO CNCC(F)(F)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000685957951 538905349 /nfs/dbraw/zinc/90/53/49/538905349.db2.gz MFCPVPHDWDXOPO-IUCAKERBSA-N 1 1 206.280 1.571 10 0 BDAEMO CC[NH2+]CC(F)(F)CN1CCC1(C)C ZINC000685957871 538905355 /nfs/dbraw/zinc/90/53/55/538905355.db2.gz JSAMTEBTPDYTJC-UHFFFAOYSA-N 1 1 206.280 1.716 10 0 BDAEMO C[NH2+]CC(F)(F)CN1CCS[C@@H](C)C1 ZINC000685958213 538905482 /nfs/dbraw/zinc/90/54/82/538905482.db2.gz ULJICHWXADZCIP-QMMMGPOBSA-N 1 1 224.320 1.278 10 0 BDAEMO C[NH2+]CC(F)(F)CN1CC[C@@H](SC)C1 ZINC000685957966 538905717 /nfs/dbraw/zinc/90/57/17/538905717.db2.gz MRSRSCFEKQBOIA-MRVPVSSYSA-N 1 1 224.320 1.278 10 0 BDAEMO CCC(C)(C)N(C)CC(F)(F)C[NH2+]C ZINC000685958415 538905843 /nfs/dbraw/zinc/90/58/43/538905843.db2.gz YQWMQHHUXXWARO-UHFFFAOYSA-N 1 1 208.296 1.962 10 0 BDAEMO CC[C@@H]([NH2+]CCC[C@@H](C)OC)C(=O)OC ZINC000685960929 538908115 /nfs/dbraw/zinc/90/81/15/538908115.db2.gz HLYWLJPEGQIJKX-NXEZZACHSA-N 1 1 217.309 1.343 10 0 BDAEMO C1=C(c2[nH]nc3c2CCCC3)CC[NH2+]C1 ZINC000685952439 538896312 /nfs/dbraw/zinc/89/63/12/538896312.db2.gz LHTXHLSGXAKLBE-UHFFFAOYSA-N 1 1 203.289 1.665 10 0 BDAEMO OCC[C@@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000161600988 349484746 /nfs/dbraw/zinc/48/47/46/349484746.db2.gz DDXFKTWWUBQKIS-ZDUSSCGKSA-N 1 1 220.316 1.328 10 0 BDAEMO CC(C)[C@H](C)[N@H+](C)[C@@H]1COCC[C@@H]1N ZINC000036305484 343978235 /nfs/dbraw/zinc/97/82/35/343978235.db2.gz JJSZFWIZHBPKMX-GARJFASQSA-N 1 1 200.326 1.079 10 0 BDAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1COCC[C@@H]1N ZINC000036305484 343978236 /nfs/dbraw/zinc/97/82/36/343978236.db2.gz JJSZFWIZHBPKMX-GARJFASQSA-N 1 1 200.326 1.079 10 0 BDAEMO OCC[C@H]1CC[N@@H+](CCN2CCCCC2)C1 ZINC000161605552 349484514 /nfs/dbraw/zinc/48/45/14/349484514.db2.gz ILZOJHIISOPOAK-CYBMUJFWSA-N 1 1 226.364 1.177 10 0 BDAEMO OCC[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000161605552 349484516 /nfs/dbraw/zinc/48/45/16/349484516.db2.gz ILZOJHIISOPOAK-CYBMUJFWSA-N 1 1 226.364 1.177 10 0 BDAEMO Cc1cccc(Cc2ncc(C[NH3+])[nH]2)c1 ZINC000062820775 187323523 /nfs/dbraw/zinc/32/35/23/187323523.db2.gz FNRFQARKCQYTNU-UHFFFAOYSA-N 1 1 201.273 1.768 10 0 BDAEMO Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c(C)s1 ZINC000184006372 178007874 /nfs/dbraw/zinc/00/78/74/178007874.db2.gz OFWZKUQKJAUESK-VXGBXAGGSA-N 1 1 241.356 1.292 10 0 BDAEMO Cc1cc(N)ccc1NC(=O)C[N@@H+](C)CC1CC1 ZINC000037924827 178105711 /nfs/dbraw/zinc/10/57/11/178105711.db2.gz ZRCVVPKXXPMMOF-UHFFFAOYSA-N 1 1 247.342 1.858 10 0 BDAEMO Cc1cc(NC2CCC(O)CC2)nc(C)[nH+]1 ZINC000037498421 178154333 /nfs/dbraw/zinc/15/43/33/178154333.db2.gz SPUZBBIGQJKURA-UHFFFAOYSA-N 1 1 221.304 1.809 10 0 BDAEMO CC(C)[N@H+]1CC[C@@H](N)C12CCSCC2 ZINC000606283144 538929451 /nfs/dbraw/zinc/92/94/51/538929451.db2.gz VTGYVMGKESWHBC-SNVBAGLBSA-N 1 1 214.378 1.694 10 0 BDAEMO CCC(CC)C[N@@H+](CC)CC[C@H](NC)C(N)=O ZINC000062461605 168348400 /nfs/dbraw/zinc/34/84/00/168348400.db2.gz ZJHSOQNDVMPSED-LBPRGKRZSA-N 1 1 243.395 1.208 10 0 BDAEMO CC(C)[N@@H+]1CC[C@@H](N)C12CCSCC2 ZINC000606283144 538929449 /nfs/dbraw/zinc/92/94/49/538929449.db2.gz VTGYVMGKESWHBC-SNVBAGLBSA-N 1 1 214.378 1.694 10 0 BDAEMO Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)no1 ZINC000282677080 178257250 /nfs/dbraw/zinc/25/72/50/178257250.db2.gz NCIOKKMMZDVVHJ-GUBZILKMSA-N 1 1 210.277 1.811 10 0 BDAEMO Cc1ccc(-c2nnc([C@H](C)[NH3+])o2)cc1O ZINC000050284381 178340417 /nfs/dbraw/zinc/34/04/17/178340417.db2.gz IPYHCLPHBDNJCJ-ZETCQYMHSA-N 1 1 219.244 1.770 10 0 BDAEMO CCC(CC)[N@@H+](C)[C@]1(CN)CN2CCC1CC2 ZINC000036788866 168369444 /nfs/dbraw/zinc/36/94/44/168369444.db2.gz WHJSYZYYHWSWRN-CQSZACIVSA-N 1 1 239.407 1.530 10 0 BDAEMO CCC(CC)[N@@H+](C)[C@@]1(CN)CN2CCC1CC2 ZINC000036788867 168369476 /nfs/dbraw/zinc/36/94/76/168369476.db2.gz WHJSYZYYHWSWRN-AWEZNQCLSA-N 1 1 239.407 1.530 10 0 BDAEMO CCC(CC)[N@H+](C)[C@@H]1COCC[C@@H]1N ZINC000036305487 168369813 /nfs/dbraw/zinc/36/98/13/168369813.db2.gz CYWITRINUMBAKA-WDEREUQCSA-N 1 1 200.326 1.223 10 0 BDAEMO CCC(CC)[N@@H+](C)[C@@H]1COCC[C@@H]1N ZINC000036305487 168369815 /nfs/dbraw/zinc/36/98/15/168369815.db2.gz CYWITRINUMBAKA-WDEREUQCSA-N 1 1 200.326 1.223 10 0 BDAEMO CCC(CC)[N@H+](CCN)[C@@H]1CCCCNC1=O ZINC000104318459 168373195 /nfs/dbraw/zinc/37/31/95/168373195.db2.gz BJHVYWARYDINKZ-GFCCVEGCSA-N 1 1 241.379 1.104 10 0 BDAEMO CCC(CC)[N@@H+](CCN)[C@@H]1CCCCNC1=O ZINC000104318459 168373197 /nfs/dbraw/zinc/37/31/97/168373197.db2.gz BJHVYWARYDINKZ-GFCCVEGCSA-N 1 1 241.379 1.104 10 0 BDAEMO CCC(CC)[N@@H+](CCOC)C[C@@H]1C[NH2+]C[C@@H]1C ZINC000104216426 168373392 /nfs/dbraw/zinc/37/33/92/168373392.db2.gz GJYXXJMCRTWHSF-STQMWFEESA-N 1 1 242.407 1.979 10 0 BDAEMO CCc1nn(C)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000180147420 538957461 /nfs/dbraw/zinc/95/74/61/538957461.db2.gz DROCKZIQVVOCLK-CYBMUJFWSA-N 1 1 248.374 1.263 10 0 BDAEMO C[C@@H]1COC[C@H](C)[N@@H+]1[C@H]1CCSC1 ZINC000306651528 361856380 /nfs/dbraw/zinc/85/63/80/361856380.db2.gz GBKFMEUDQXPVFU-AEJSXWLSSA-N 1 1 201.335 1.601 10 0 BDAEMO CC[N@H+]1CCC[C@H](c2[nH]nc3c2CCN3)C1 ZINC000003708023 342736852 /nfs/dbraw/zinc/73/68/52/342736852.db2.gz LYFRXDYFVOSPDU-VIFPVBQESA-N 1 1 220.320 1.577 10 0 BDAEMO C[C@H](C[NH3+])C[N@H+]1CCc2sccc2C1 ZINC000035725405 342757044 /nfs/dbraw/zinc/75/70/44/342757044.db2.gz DQRHELKKLRFKSM-SECBINFHSA-N 1 1 210.346 1.701 10 0 BDAEMO C[C@H](C[NH3+])CN1CCc2sccc2C1 ZINC000035725405 342757045 /nfs/dbraw/zinc/75/70/45/342757045.db2.gz DQRHELKKLRFKSM-SECBINFHSA-N 1 1 210.346 1.701 10 0 BDAEMO Cc1cccc(CCN2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000335437573 398287625 /nfs/dbraw/zinc/28/76/25/398287625.db2.gz SVFCKBKXIYQOFS-HNNXBMFYSA-N 1 1 245.370 1.713 10 0 BDAEMO CC[N@@H+]1C[C@H](Nc2ccccn2)[C@@H](C)C1 ZINC000379979753 538983439 /nfs/dbraw/zinc/98/34/39/538983439.db2.gz GSHMIUWWXNBUNW-QWRGUYRKSA-N 1 1 205.305 1.834 10 0 BDAEMO COC[C@H](C)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000189742262 538984890 /nfs/dbraw/zinc/98/48/90/538984890.db2.gz ASMOZIOLYZZICM-AGIUHOORSA-N 1 1 227.348 1.912 10 0 BDAEMO C[C@@H](N(C)CC(F)(F)C[NH3+])C1(C)CC1 ZINC000385476631 539013330 /nfs/dbraw/zinc/01/33/30/539013330.db2.gz UYBORGHRWXOLNH-MRVPVSSYSA-N 1 1 206.280 1.701 10 0 BDAEMO CS[C@H]1CCCN(CC(F)(F)C[NH3+])C1 ZINC000382922345 539011250 /nfs/dbraw/zinc/01/12/50/539011250.db2.gz CORFNIIBAATFJG-QMMMGPOBSA-N 1 1 224.320 1.408 10 0 BDAEMO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cn[nH]c1 ZINC000386583718 539013649 /nfs/dbraw/zinc/01/36/49/539013649.db2.gz HYGKHYBGASTDCO-MELADBBJSA-N 1 1 249.358 1.925 10 0 BDAEMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2ncccn2)C1 ZINC000389999743 539019859 /nfs/dbraw/zinc/01/98/59/539019859.db2.gz RYOSZFXKUHRLCQ-ZJUUUORDSA-N 1 1 206.293 1.229 10 0 BDAEMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ncc(C)cn2)C1 ZINC000390654008 539026999 /nfs/dbraw/zinc/02/69/99/539026999.db2.gz QBHUNAGZCKTGEW-GHMZBOCLSA-N 1 1 220.320 1.537 10 0 BDAEMO COC(=O)[C@H]1C[N@@H+](C)[C@@]2(C1)CCCCO2 ZINC000238363644 259325460 /nfs/dbraw/zinc/32/54/60/259325460.db2.gz NIXAEEMZDYRQIB-KOLCDFICSA-N 1 1 213.277 1.008 10 0 BDAEMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(N)=S)C1 ZINC000042493131 362003440 /nfs/dbraw/zinc/00/34/40/362003440.db2.gz YFKFYQKVHCDOMS-BDAKNGLRSA-N 1 1 200.351 1.783 10 0 BDAEMO C(CN1CCCSCC1)[C@@H]1CCC[NH2+]1 ZINC000042444900 362000752 /nfs/dbraw/zinc/00/07/52/362000752.db2.gz OKXNHIXMGLUKDZ-NSHDSACASA-N 1 1 214.378 1.567 10 0 BDAEMO CC(C)COCC[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399170523 398304642 /nfs/dbraw/zinc/30/46/42/398304642.db2.gz OBJFGIHUXPKRFN-NWDGAFQWSA-N 1 1 215.337 1.504 10 0 BDAEMO [NH3+]Cc1nnc(CC2CCSCC2)o1 ZINC000157749514 342890642 /nfs/dbraw/zinc/89/06/42/342890642.db2.gz UZMZBOIAXWCSPW-UHFFFAOYSA-N 1 1 213.306 1.214 10 0 BDAEMO Nc1ccc(NCC=C(Cl)Cl)[nH+]c1 ZINC000407259500 342910535 /nfs/dbraw/zinc/91/05/35/342910535.db2.gz GIUKRCQKLQPXBN-UHFFFAOYSA-N 1 1 218.087 1.817 10 0 BDAEMO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccco1 ZINC000019899986 342961863 /nfs/dbraw/zinc/96/18/63/342961863.db2.gz FYNJSGOLMUEOGM-DTWKUNHWSA-N 1 1 229.301 1.117 10 0 BDAEMO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccco1 ZINC000019899988 342962032 /nfs/dbraw/zinc/96/20/32/342962032.db2.gz FYNJSGOLMUEOGM-IUCAKERBSA-N 1 1 229.301 1.117 10 0 BDAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc[nH]1 ZINC000176966601 346919168 /nfs/dbraw/zinc/91/91/68/346919168.db2.gz FJXRKGONNPDHEF-LLVKDONJSA-N 1 1 235.331 1.571 10 0 BDAEMO CC[N@@H+]1CCNC[C@@H]1c1ccc(CO)cc1 ZINC000139872299 343067882 /nfs/dbraw/zinc/06/78/82/343067882.db2.gz LIUAOVCRRLEOFF-CYBMUJFWSA-N 1 1 220.316 1.145 10 0 BDAEMO CC[N@H+]1CCNC[C@@H]1c1ccc(CO)cc1 ZINC000139872299 343067883 /nfs/dbraw/zinc/06/78/83/343067883.db2.gz LIUAOVCRRLEOFF-CYBMUJFWSA-N 1 1 220.316 1.145 10 0 BDAEMO Cc1[nH+]ccn1Cc1nnc(C(F)F)o1 ZINC000584883184 343085753 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ZINC000084237366 344368051 /nfs/dbraw/zinc/36/80/51/344368051.db2.gz GUPZVIPUAXBIPV-GFCCVEGCSA-N 1 1 204.317 1.998 10 0 BDAEMO CC1(C)[C@H](N)CC[N@H+]1Cc1ccccc1 ZINC000084237366 344368052 /nfs/dbraw/zinc/36/80/52/344368052.db2.gz GUPZVIPUAXBIPV-GFCCVEGCSA-N 1 1 204.317 1.998 10 0 BDAEMO Cc1nccc(N2C[C@H]([NH3+])C[C@H]2C)c1Cl ZINC000385025956 344300551 /nfs/dbraw/zinc/30/05/51/344300551.db2.gz YUACTZTXMNQLEC-VXNVDRBHSA-N 1 1 225.723 1.969 10 0 BDAEMO C1C[C@H]2[C@@H](C1)[N@@H+]1CCNC[C@H]3CCC[C@H]2[C@@H]31 ZINC000103277935 187291381 /nfs/dbraw/zinc/29/13/81/187291381.db2.gz QBXWFBUGZQGGDY-DHGKCCLASA-N 1 1 220.360 1.859 10 0 BDAEMO C1C[C@H]2[C@@H](C1)[N@H+]1CCNC[C@H]3CCC[C@H]2[C@@H]31 ZINC000103277935 187291383 /nfs/dbraw/zinc/29/13/83/187291383.db2.gz QBXWFBUGZQGGDY-DHGKCCLASA-N 1 1 220.360 1.859 10 0 BDAEMO NC(=O)c1ccccc1[C@@H]1CCCC[N@H+]1CCO ZINC000616616120 344549684 /nfs/dbraw/zinc/54/96/84/344549684.db2.gz HXQRDIQOROGDGH-ZDUSSCGKSA-N 1 1 248.326 1.305 10 0 BDAEMO O[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@H](CCF)C2)C1 ZINC000626006385 344665221 /nfs/dbraw/zinc/66/52/21/344665221.db2.gz XIFAQASNVBZLNL-JHJVBQTASA-N 1 1 245.338 1.598 10 0 BDAEMO C[NH2+][C@@H](CN)c1ccc(OC(F)(F)F)cc1 ZINC000050269884 344667094 /nfs/dbraw/zinc/66/70/94/344667094.db2.gz NZUIVJRPPWUUIJ-VIFPVBQESA-N 1 1 234.221 1.804 10 0 BDAEMO CC(C)[C@@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973927 344640965 /nfs/dbraw/zinc/64/09/65/344640965.db2.gz WRUHKFSFSCWDDA-UPJWGTAASA-N 1 1 229.364 1.344 10 0 BDAEMO CCOc1ccc([C@@H]([NH3+])CN)cc1OC ZINC000044469088 345085107 /nfs/dbraw/zinc/08/51/07/345085107.db2.gz XXMIULXHLXDBIY-VIFPVBQESA-N 1 1 210.277 1.052 10 0 BDAEMO C[C@@H]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)O1 ZINC000156540223 345174811 /nfs/dbraw/zinc/17/48/11/345174811.db2.gz ATSYPZNTSSGMSX-UTUOFQBUSA-N 1 1 240.347 1.107 10 0 BDAEMO C[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccccc2)[C@H]1CO ZINC000307218906 345239918 /nfs/dbraw/zinc/23/99/18/345239918.db2.gz VTWBLRRUWANBFE-XBFCOCLRSA-N 1 1 235.327 1.250 10 0 BDAEMO CC(C)[N@H+]1CC[C@H](Nc2ccccn2)C1 ZINC000390001150 345194785 /nfs/dbraw/zinc/19/47/85/345194785.db2.gz SYZHWOALAPIVAA-NSHDSACASA-N 1 1 205.305 1.976 10 0 BDAEMO CCCCOC[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000300228724 345285063 /nfs/dbraw/zinc/28/50/63/345285063.db2.gz BIZXUEXGZNUUNK-FRRDWIJNSA-N 1 1 229.364 1.894 10 0 BDAEMO COC[C@H](C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158849109 345380191 /nfs/dbraw/zinc/38/01/91/345380191.db2.gz IYELZUJPERIMJH-SRVKXCTJSA-N 1 1 242.363 1.114 10 0 BDAEMO CC(=O)CC[N@@H+]1CCC[C@@H](N2CCCCC2)C1 ZINC000108380616 187303755 /nfs/dbraw/zinc/30/37/55/187303755.db2.gz QKKMJPIKKLWWKB-CQSZACIVSA-N 1 1 238.375 1.916 10 0 BDAEMO CC(=O)CC[N@H+]1CCC[C@@H](N2CCCCC2)C1 ZINC000108380616 187303757 /nfs/dbraw/zinc/30/37/57/187303757.db2.gz QKKMJPIKKLWWKB-CQSZACIVSA-N 1 1 238.375 1.916 10 0 BDAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@@H](C)C(N)=S ZINC000136179155 345484844 /nfs/dbraw/zinc/48/48/44/345484844.db2.gz AUJZYEXFDXTBJO-XHNCKOQMSA-N 1 1 200.351 1.924 10 0 BDAEMO O=c1cc(C2CC2)[nH]n1C[C@H]1CCC[NH2+]1 ZINC000250783752 345486775 /nfs/dbraw/zinc/48/67/75/345486775.db2.gz TWAXYRZUGXGAAK-SECBINFHSA-N 1 1 207.277 1.218 10 0 BDAEMO OCCCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000088022863 345538882 /nfs/dbraw/zinc/53/88/82/345538882.db2.gz SSJNMAMXUZOXRU-QWHCGFSZSA-N 1 1 227.348 1.386 10 0 BDAEMO C[C@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCCCN1C ZINC000134547302 345697813 /nfs/dbraw/zinc/69/78/13/345697813.db2.gz DMLMAZVKVZTTOO-FRRDWIJNSA-N 1 1 226.364 1.628 10 0 BDAEMO CC(C)[C@@H](CO)[N@H+](C)CC(=O)OC(C)(C)C ZINC000167774982 345799383 /nfs/dbraw/zinc/79/93/83/345799383.db2.gz AXGAGXCIVGWBSH-SNVBAGLBSA-N 1 1 231.336 1.277 10 0 BDAEMO CC(C)[C@@H](CO)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000167774982 345799386 /nfs/dbraw/zinc/79/93/86/345799386.db2.gz AXGAGXCIVGWBSH-SNVBAGLBSA-N 1 1 231.336 1.277 10 0 BDAEMO COc1ccc2c(c1)C=C(C[C@@H]([NH3+])C[NH3+])CC2 ZINC000141853481 345856895 /nfs/dbraw/zinc/85/68/95/345856895.db2.gz SIBCVZVOPLLICP-CYBMUJFWSA-N 1 1 232.327 1.701 10 0 BDAEMO COc1ccc2c(c1)C=C(C[C@@H](N)C[NH3+])CC2 ZINC000141853481 345856899 /nfs/dbraw/zinc/85/68/99/345856899.db2.gz SIBCVZVOPLLICP-CYBMUJFWSA-N 1 1 232.327 1.701 10 0 BDAEMO N[C@H](C[NH3+])CC1=Cc2cc(F)ccc2CC1 ZINC000141157812 345859118 /nfs/dbraw/zinc/85/91/18/345859118.db2.gz GWGPBRXLJIREAL-ZDUSSCGKSA-N 1 1 220.291 1.831 10 0 BDAEMO Cc1[nH+]ccn1-c1ncc(N)cc1Cl ZINC000235808603 345915740 /nfs/dbraw/zinc/91/57/40/345915740.db2.gz JWKUMDUETZHKQS-UHFFFAOYSA-N 1 1 208.652 1.811 10 0 BDAEMO CC(C)[C@@](C)(O)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000310502329 187312685 /nfs/dbraw/zinc/31/26/85/187312685.db2.gz JOOYNJORTYYOJM-KBPBESRZSA-N 1 1 240.391 1.421 10 0 BDAEMO CC(C)[C@@](C)(O)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000310502329 187312687 /nfs/dbraw/zinc/31/26/87/187312687.db2.gz JOOYNJORTYYOJM-KBPBESRZSA-N 1 1 240.391 1.421 10 0 BDAEMO CNc1cc(N2CCCCC2)[nH+]c(C)n1 ZINC000087806201 345940692 /nfs/dbraw/zinc/94/06/92/345940692.db2.gz WZHFOPBWSHRWQE-UHFFFAOYSA-N 1 1 206.293 1.817 10 0 BDAEMO CN1CCc2[nH+]c3ccccc3c(N)c2C1 ZINC000075622908 537929064 /nfs/dbraw/zinc/92/90/64/537929064.db2.gz MLYXSBBYKPZBCK-UHFFFAOYSA-N 1 1 213.284 1.805 10 0 BDAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cocn1 ZINC000191942020 187314089 /nfs/dbraw/zinc/31/40/89/187314089.db2.gz SRHJBCMGBHEAMJ-GFCCVEGCSA-N 1 1 223.320 1.591 10 0 BDAEMO C=Cn1cc(CN2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000193918352 187315801 /nfs/dbraw/zinc/31/58/01/187315801.db2.gz MVQJBMPAUUTEFF-CYBMUJFWSA-N 1 1 232.331 1.264 10 0 BDAEMO O=C1CCCC[C@@H]1C[N@H+]1CCCOCC1 ZINC000061934050 346177429 /nfs/dbraw/zinc/17/74/29/346177429.db2.gz VQUUMWAZYQLKTC-LLVKDONJSA-N 1 1 211.305 1.468 10 0 BDAEMO CN(CC(F)(F)C[NH3+])[C@H]1CCSC1 ZINC000308326026 537954654 /nfs/dbraw/zinc/95/46/54/537954654.db2.gz FYEVESVSTKJCOJ-ZETCQYMHSA-N 1 1 210.293 1.018 10 0 BDAEMO COCC(=O)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000669376829 537962385 /nfs/dbraw/zinc/96/23/85/537962385.db2.gz VYPLPLOODITRHZ-SNVBAGLBSA-N 1 1 213.664 1.555 10 0 BDAEMO CN(CCC(F)(F)F)CC(F)(F)C[NH3+] ZINC000308587161 537965362 /nfs/dbraw/zinc/96/53/62/537965362.db2.gz SOPNZLOQAFNUTI-UHFFFAOYSA-N 1 1 220.185 1.465 10 0 BDAEMO C[C@H]1[NH2+]CCn2c(C(F)(F)F)cnc21 ZINC000222923349 187319736 /nfs/dbraw/zinc/31/97/36/187319736.db2.gz OUUZOBSSJKJJSL-RXMQYKEDSA-N 1 1 205.183 1.566 10 0 BDAEMO OCC[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000161583071 346338106 /nfs/dbraw/zinc/33/81/06/346338106.db2.gz RWWQQYLTYPYOLY-MRVPVSSYSA-N 1 1 211.227 1.643 10 0 BDAEMO CC[C@@H](O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000173647058 346398317 /nfs/dbraw/zinc/39/83/17/346398317.db2.gz BYNZJEDTUKWZBV-NEPJUHHUSA-N 1 1 223.320 1.328 10 0 BDAEMO CN(C)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000148732423 346421944 /nfs/dbraw/zinc/42/19/44/346421944.db2.gz JTEZAYGHPRHZJK-UHFFFAOYSA-N 1 1 210.668 1.470 10 0 BDAEMO OCC1CCN([C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000725241793 537981256 /nfs/dbraw/zinc/98/12/56/537981256.db2.gz PXVDNKDDHSEWDC-ZIAGYGMSSA-N 1 1 238.375 1.318 10 0 BDAEMO Cc1cccc(CNN2CC[NH+](C)CC2)c1 ZINC000075423644 179095250 /nfs/dbraw/zinc/09/52/50/179095250.db2.gz CDNFNURAUHXKCX-UHFFFAOYSA-N 1 1 219.332 1.247 10 0 BDAEMO Cc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)n1 ZINC000048446227 179095740 /nfs/dbraw/zinc/09/57/40/179095740.db2.gz LGMZQSLFIHCTHF-NSHDSACASA-N 1 1 249.358 1.783 10 0 BDAEMO CC[C@H](N[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C(=O)OC ZINC000725241934 537981834 /nfs/dbraw/zinc/98/18/34/537981834.db2.gz WVWWOUUQCJSMFE-WOPDTQHZSA-N 1 1 240.347 1.154 10 0 BDAEMO CC(C)[N@@H+](C)C[C@H](O)CCC1(O)CCC1 ZINC000669379964 537984971 /nfs/dbraw/zinc/98/49/71/537984971.db2.gz NMWSESBPJUGQAB-LLVKDONJSA-N 1 1 215.337 1.383 10 0 BDAEMO Cc1cccc([C@H](CN)[N@@H+]2CCC[C@H](O)C2)c1 ZINC000042966412 179198659 /nfs/dbraw/zinc/19/86/59/179198659.db2.gz WFDIHJMXMOTTJM-KBPBESRZSA-N 1 1 234.343 1.452 10 0 BDAEMO Cc1cccc([C@H](CN)[N@H+]2CCC[C@H](O)C2)c1 ZINC000042966412 179198661 /nfs/dbraw/zinc/19/86/61/179198661.db2.gz WFDIHJMXMOTTJM-KBPBESRZSA-N 1 1 234.343 1.452 10 0 BDAEMO Cc1cccc([C@H]([NH3+])c2ncon2)c1C ZINC000049796254 179200044 /nfs/dbraw/zinc/20/00/44/179200044.db2.gz RDMDDQXEVMMTEL-JTQLQIEISA-N 1 1 203.245 1.735 10 0 BDAEMO Cc1ncc(C[N@@H+]2CCC[C@H](O)[C@H]2C)o1 ZINC000628298421 347320272 /nfs/dbraw/zinc/32/02/72/347320272.db2.gz FGPXQAHHDZEOIS-KCJUWKMLSA-N 1 1 210.277 1.328 10 0 BDAEMO NC[C@@H]1CCCC[N@H+]1[C@H]1CCCSC1 ZINC000250850406 362823390 /nfs/dbraw/zinc/82/33/90/362823390.db2.gz OCLRFILAMODRSO-QWRGUYRKSA-N 1 1 214.378 1.695 10 0 BDAEMO [NH3+]C[C@@H]1CCCCN1[C@H]1CCCSC1 ZINC000250850406 362823392 /nfs/dbraw/zinc/82/33/92/362823392.db2.gz OCLRFILAMODRSO-QWRGUYRKSA-N 1 1 214.378 1.695 10 0 BDAEMO CC[N@@H+](CC(C)C)CC12CC(CO)(C1)CO2 ZINC000669380425 537989592 /nfs/dbraw/zinc/98/95/92/537989592.db2.gz YXAJCWOPBAQFBK-UHFFFAOYSA-N 1 1 227.348 1.506 10 0 BDAEMO N[C@@]1(c2ncon2)CC[N@@H+](Cc2ccccc2)C1 ZINC000036761914 347451095 /nfs/dbraw/zinc/45/10/95/347451095.db2.gz WMNSXGYVENYNMB-ZDUSSCGKSA-N 1 1 244.298 1.130 10 0 BDAEMO C1C[C@@]2(NCCCS2)[C@H]2CCCC[N@@H+]12 ZINC000227925892 347421721 /nfs/dbraw/zinc/42/17/21/347421721.db2.gz VBHPLIKELJUROT-MNOVXSKESA-N 1 1 212.362 1.667 10 0 BDAEMO Cc1ccccc1-n1[nH]c(C[NH3+])cc1=O ZINC000082381150 179297059 /nfs/dbraw/zinc/29/70/59/179297059.db2.gz KFYNDAXVWSIFGY-UHFFFAOYSA-N 1 1 203.245 1.046 10 0 BDAEMO NC(=S)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000036827009 347873081 /nfs/dbraw/zinc/87/30/81/347873081.db2.gz IBTHKGJOULNLJW-VHSXEESVSA-N 1 1 212.362 1.927 10 0 BDAEMO Cc1ccccc1[C@@H]([NH3+])CN1CCN(C)[C@H](C)C1 ZINC000104125921 179324704 /nfs/dbraw/zinc/32/47/04/179324704.db2.gz CVNBANOWILHFHP-HIFRSBDPSA-N 1 1 247.386 1.631 10 0 BDAEMO C[NH2+]Cc1onc(OC)c1Br ZINC000147891089 490116120 /nfs/dbraw/zinc/11/61/20/490116120.db2.gz JDIFIQSJIASBAJ-UHFFFAOYSA-N 1 1 221.054 1.165 10 0 BDAEMO C[N@H+](CC[C@H]([NH3+])C(=O)[O-])C1CCCCC1 ZINC000062443010 537997110 /nfs/dbraw/zinc/99/71/10/537997110.db2.gz ZPLAJTBLEXHCEC-JTQLQIEISA-N 1 1 214.309 1.053 10 0 BDAEMO C[N@@H+](CC[C@H]([NH3+])C(=O)[O-])C1CCCCC1 ZINC000062443010 537997116 /nfs/dbraw/zinc/99/71/16/537997116.db2.gz ZPLAJTBLEXHCEC-JTQLQIEISA-N 1 1 214.309 1.053 10 0 BDAEMO Cc1ccccc1[C@H](CN)[N@@H+]1CCCC[C@@H]1CO ZINC000043036008 179342778 /nfs/dbraw/zinc/34/27/78/179342778.db2.gz XQQPSIGRLGNIFY-HIFRSBDPSA-N 1 1 248.370 1.842 10 0 BDAEMO Cc1ccccc1[C@H](CN)[N@H+]1CCCC[C@@H]1CO ZINC000043036008 179342782 /nfs/dbraw/zinc/34/27/82/179342782.db2.gz XQQPSIGRLGNIFY-HIFRSBDPSA-N 1 1 248.370 1.842 10 0 BDAEMO Cc1ccccc1[C@H]([C@H](C)N)[NH+]1CCC(O)CC1 ZINC000043033643 179346300 /nfs/dbraw/zinc/34/63/00/179346300.db2.gz XXEGIDCOVRQDOD-WFASDCNBSA-N 1 1 248.370 1.840 10 0 BDAEMO CC[C@H]1COCC[N@@H+]1[C@@H]1CCCCC1=O ZINC000037340062 348329918 /nfs/dbraw/zinc/32/99/18/348329918.db2.gz WKQRBVCXQYEUEL-WDEREUQCSA-N 1 1 211.305 1.609 10 0 BDAEMO CC[C@H]1COCC[N@H+]1[C@@H]1CCCCC1=O ZINC000037340062 348329920 /nfs/dbraw/zinc/32/99/20/348329920.db2.gz WKQRBVCXQYEUEL-WDEREUQCSA-N 1 1 211.305 1.609 10 0 BDAEMO CC[C@@H]1COCC[N@@H+]1[C@@H]1CCCCC1=O ZINC000037340061 348329930 /nfs/dbraw/zinc/32/99/30/348329930.db2.gz WKQRBVCXQYEUEL-GHMZBOCLSA-N 1 1 211.305 1.609 10 0 BDAEMO CC[C@@H]1COCC[N@H+]1[C@@H]1CCCCC1=O ZINC000037340061 348329933 /nfs/dbraw/zinc/32/99/33/348329933.db2.gz WKQRBVCXQYEUEL-GHMZBOCLSA-N 1 1 211.305 1.609 10 0 BDAEMO C[C@H]1CC[N@@H+](C[C@H]2CSCCN2)C1 ZINC000251794103 362923015 /nfs/dbraw/zinc/92/30/15/362923015.db2.gz XIDQHZQGLWJQLZ-UWVGGRQHSA-N 1 1 200.351 1.033 10 0 BDAEMO C[C@H]1CCN(C[C@H]2CSCC[NH2+]2)C1 ZINC000251794103 362923021 /nfs/dbraw/zinc/92/30/21/362923021.db2.gz XIDQHZQGLWJQLZ-UWVGGRQHSA-N 1 1 200.351 1.033 10 0 BDAEMO C[NH2+][C@H](C)c1nc(Cc2ccc(OC)cc2)no1 ZINC000054053268 348849764 /nfs/dbraw/zinc/84/97/64/348849764.db2.gz OIIYJIOHLLHRAH-SECBINFHSA-N 1 1 247.298 1.949 10 0 BDAEMO Cc1cnn([C@@H]2CC[N@H+](C(C)C)C2)c1N ZINC000045658281 179746612 /nfs/dbraw/zinc/74/66/12/179746612.db2.gz OBSXTIRKLVOFKX-SNVBAGLBSA-N 1 1 208.309 1.429 10 0 BDAEMO CC[N@H+]1CCC[C@H]1CN(C)c1cc(C#N)cnn1 ZINC000396951233 350008807 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10 0 BDAEMO CCC[C@H]([NH3+])c1nc([C@H]2CCCOC2)no1 ZINC000083720205 643622987 /nfs/dbraw/zinc/62/29/87/643622987.db2.gz GCPCRWBSKCRGHG-IUCAKERBSA-N 1 1 225.292 1.764 10 0 BDAEMO CC(C)[N@@H+](CCn1cncn1)C[C@H]1C[C@H]1C ZINC000089922128 644571804 /nfs/dbraw/zinc/57/18/04/644571804.db2.gz TVRXGDUWXGRNAD-VXGBXAGGSA-N 1 1 222.336 1.645 10 0 BDAEMO COC(=O)[C@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC000094996543 644735582 /nfs/dbraw/zinc/73/55/82/644735582.db2.gz AOMQNWNSFMKJKN-KOLCDFICSA-N 1 1 211.305 1.527 10 0 BDAEMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H]1C ZINC000095019959 644738924 /nfs/dbraw/zinc/73/89/24/644738924.db2.gz VSRFMBMNJCQZGX-JOYOIKCWSA-N 1 1 237.299 1.829 10 0 BDAEMO OCc1c[nH+]ccc1N1CCN2CCCC[C@H]2C1 ZINC000250166038 644748636 /nfs/dbraw/zinc/74/86/36/644748636.db2.gz JUBZYDHQTAOJEA-ZDUSSCGKSA-N 1 1 247.342 1.248 10 0 BDAEMO C[C@@H](O)c1ccc(N2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000250902633 644784667 /nfs/dbraw/zinc/78/46/67/644784667.db2.gz OSMBMEREFTWCLZ-YPMHNXCESA-N 1 1 247.342 1.419 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TUJDOMGJQBWFEZ-UHFFFAOYSA-N 1 1 242.363 1.659 10 0 BDAEMO CSCCOCC(F)(F)C[NH2+]C1CC1 ZINC000685955202 538900575 /nfs/dbraw/zinc/90/05/75/538900575.db2.gz APZJCLUVJIHANA-UHFFFAOYSA-N 1 1 225.304 1.753 10 0 BDAEMO CCC[N@@H+]1CC[C@H](N)[C@@]12CCCSC2 ZINC000685955228 538900774 /nfs/dbraw/zinc/90/07/74/538900774.db2.gz WJEVZOCOEZQWOT-QWRGUYRKSA-N 1 1 214.378 1.695 10 0 BDAEMO CCC[N@H+]1CC[C@H](N)[C@@]12CCCSC2 ZINC000685955228 538900776 /nfs/dbraw/zinc/90/07/76/538900776.db2.gz WJEVZOCOEZQWOT-QWRGUYRKSA-N 1 1 214.378 1.695 10 0 BDAEMO C[NH2+]CC(F)(F)CO[C@H](C)C(F)(F)F ZINC000685956305 538902215 /nfs/dbraw/zinc/90/22/15/538902215.db2.gz BXFIQRWLCODXBT-RXMQYKEDSA-N 1 1 221.169 1.809 10 0 BDAEMO CN(C[C@@H]1CCCS1)CC(F)(F)C[NH3+] ZINC000685956242 538902437 /nfs/dbraw/zinc/90/24/37/538902437.db2.gz AXIAZLUZQZAQHJ-QMMMGPOBSA-N 1 1 224.320 1.408 10 0 BDAEMO CCSCC[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399468184 262784208 /nfs/dbraw/zinc/78/42/08/262784208.db2.gz LPJIFRATHATDOW-VHSXEESVSA-N 1 1 203.351 1.585 10 0 BDAEMO C[NH2+]CC(F)(F)CN(C)[C@H](C)CSC ZINC000685958433 538905904 /nfs/dbraw/zinc/90/59/04/538905904.db2.gz ZKVXJWKWEZXGQC-MRVPVSSYSA-N 1 1 226.336 1.524 10 0 BDAEMO c1ccc(C2(N3CCC3)CC[NH2+]CC2)cc1 ZINC000685961349 538908334 /nfs/dbraw/zinc/90/83/34/538908334.db2.gz QUDZSKMKCJMJCA-UHFFFAOYSA-N 1 1 216.328 1.971 10 0 BDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCc1cnccn1 ZINC000390304464 398167916 /nfs/dbraw/zinc/16/79/16/398167916.db2.gz TYDWSACHKUXBMT-JSGCOSHPSA-N 1 1 246.358 1.188 10 0 BDAEMO Cc1cc(F)ccc1[C@H]([NH3+])c1ncon1 ZINC000050580568 178091644 /nfs/dbraw/zinc/09/16/44/178091644.db2.gz XYWKHTSWRBGYOU-VIFPVBQESA-N 1 1 207.208 1.565 10 0 BDAEMO Cc1cc(N(C)CCC[NH+](C)C)ncc1N ZINC000077334640 178099062 /nfs/dbraw/zinc/09/90/62/178099062.db2.gz SGQJQYJVUAGHKN-UHFFFAOYSA-N 1 1 222.336 1.360 10 0 BDAEMO Cc1cc(N)ccc1NC[C@H]1CC[N@H+](C)C1 ZINC000037484562 178106728 /nfs/dbraw/zinc/10/67/28/178106728.db2.gz IHGIIWGGFMIMNS-LLVKDONJSA-N 1 1 219.332 1.941 10 0 BDAEMO Cc1nnc(C[NH2+][C@H]2CCC[C@]2(C)CO)o1 ZINC000309880044 136219811 /nfs/dbraw/zinc/21/98/11/136219811.db2.gz VCLJMLJAHDBRMG-GXSJLCMTSA-N 1 1 225.292 1.019 10 0 BDAEMO C[C@H]1C[N@@H+](C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000073653652 187330077 /nfs/dbraw/zinc/33/00/77/187330077.db2.gz WVKQWWLNMFYSHO-UWVGGRQHSA-N 1 1 228.336 1.851 10 0 BDAEMO CC(C)[N@@H+]1CCC(=O)[C@]12CCCSC2 ZINC000606283443 538929713 /nfs/dbraw/zinc/92/97/13/538929713.db2.gz KBBLAJLQDILZRW-LLVKDONJSA-N 1 1 213.346 1.935 10 0 BDAEMO CC(C)[N@H+]1CCC(=O)[C@]12CCCSC2 ZINC000606283443 538929714 /nfs/dbraw/zinc/92/97/14/538929714.db2.gz KBBLAJLQDILZRW-LLVKDONJSA-N 1 1 213.346 1.935 10 0 BDAEMO Cc1cc(N[C@@H]2CCc3ncnn3C2)nc(C)[nH+]1 ZINC000108948020 178183473 /nfs/dbraw/zinc/18/34/73/178183473.db2.gz VNJFBCJFLAZTDX-SNVBAGLBSA-N 1 1 244.302 1.112 10 0 BDAEMO Cc1cc(N2CC[C@@H](CCO)C2)nc(C)[nH+]1 ZINC000161929775 349522281 /nfs/dbraw/zinc/52/22/81/349522281.db2.gz SPTPYENHQXGGGC-NSHDSACASA-N 1 1 221.304 1.302 10 0 BDAEMO Cc1cc(C)c(CN[C@H]2CCC[NH2+]CC2)cn1 ZINC000334868184 398236548 /nfs/dbraw/zinc/23/65/48/398236548.db2.gz LDMQADUFMCAAQX-AWEZNQCLSA-N 1 1 233.359 1.930 10 0 BDAEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1cncs1 ZINC000295003664 398264294 /nfs/dbraw/zinc/26/42/94/398264294.db2.gz LNZCZQDIAUJCCX-WCBMZHEXSA-N 1 1 212.318 1.488 10 0 BDAEMO CCC(CC)N(CC[NH3+])c1ncnc2[nH]cnc21 ZINC000104315443 168371462 /nfs/dbraw/zinc/37/14/62/168371462.db2.gz WFSKFLBWQOEYHM-UHFFFAOYSA-N 1 1 248.334 1.307 10 0 BDAEMO CC[N@@H+](C[C@@H]1CCC[C@H](O)C1)CC(C)(C)O ZINC000381636058 398267167 /nfs/dbraw/zinc/26/71/67/398267167.db2.gz OGAIFRJBCSVJIN-NEPJUHHUSA-N 1 1 229.364 1.630 10 0 BDAEMO CC[N@@H+](C[C@@H]1CCC[C@@H](O)C1)CC(C)(C)O ZINC000381636063 398267193 /nfs/dbraw/zinc/26/71/93/398267193.db2.gz OGAIFRJBCSVJIN-VXGBXAGGSA-N 1 1 229.364 1.630 10 0 BDAEMO Cc1cc[nH+]c(N2CC[C@H](CCO)C2)c1 ZINC000162201555 349603110 /nfs/dbraw/zinc/60/31/10/349603110.db2.gz TXVPRBAHPKWNGR-LLVKDONJSA-N 1 1 206.289 1.599 10 0 BDAEMO 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NC[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000165906880 361846132 /nfs/dbraw/zinc/84/61/32/361846132.db2.gz MDURQKSFXRKXIR-QWHCGFSZSA-N 1 1 226.364 1.351 10 0 BDAEMO NC[C@H](O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000165906880 361846136 /nfs/dbraw/zinc/84/61/36/361846136.db2.gz MDURQKSFXRKXIR-QWHCGFSZSA-N 1 1 226.364 1.351 10 0 BDAEMO Cc1cccc(CC[N@H+]2CC[C@H](CCO)C2)n1 ZINC000399717657 342741224 /nfs/dbraw/zinc/74/12/24/342741224.db2.gz KCZDNLRKLOVBEH-CYBMUJFWSA-N 1 1 234.343 1.637 10 0 BDAEMO CC[N@H+]1CCC[C@@H](NCc2cscn2)C1 ZINC000040505600 344002059 /nfs/dbraw/zinc/00/20/59/344002059.db2.gz PSEHPAIRDYNANU-SNVBAGLBSA-N 1 1 225.361 1.717 10 0 BDAEMO CCN1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000040505600 344002061 /nfs/dbraw/zinc/00/20/61/344002061.db2.gz PSEHPAIRDYNANU-SNVBAGLBSA-N 1 1 225.361 1.717 10 0 BDAEMO C[C@@H](C[NH3+])C[N@H+]1CCc2sccc2C1 ZINC000035725403 342757250 /nfs/dbraw/zinc/75/72/50/342757250.db2.gz DQRHELKKLRFKSM-VIFPVBQESA-N 1 1 210.346 1.701 10 0 BDAEMO 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CCC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105803689 398325376 /nfs/dbraw/zinc/32/53/76/398325376.db2.gz RMTBLPMYMBVYMG-LBPRGKRZSA-N 1 1 234.347 1.787 10 0 BDAEMO COC(=O)[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220307046 536631484 /nfs/dbraw/zinc/63/14/84/536631484.db2.gz WNXGMZMTCCUXBK-LOWVWBTDSA-N 1 1 241.331 1.175 10 0 BDAEMO COC(=O)[C@H](C)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220307046 536631489 /nfs/dbraw/zinc/63/14/89/536631489.db2.gz WNXGMZMTCCUXBK-LOWVWBTDSA-N 1 1 241.331 1.175 10 0 BDAEMO COC(=O)[C@@H]([NH3+])CC(F)(F)CC1CC1 ZINC000075411844 344013128 /nfs/dbraw/zinc/01/31/28/344013128.db2.gz XTMJPQXWZAETQG-ZETCQYMHSA-N 1 1 207.220 1.312 10 0 BDAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccncc1 ZINC000175330241 346894606 /nfs/dbraw/zinc/89/46/06/346894606.db2.gz CODQZBCFSYBAAU-CQSZACIVSA-N 1 1 233.359 1.998 10 0 BDAEMO Cc1[nH+]cn(Cc2nnnn2C(C)C)c1C ZINC000171993813 398345018 /nfs/dbraw/zinc/34/50/18/398345018.db2.gz ICPGLEKWYFDOPN-UHFFFAOYSA-N 1 1 220.280 1.116 10 0 BDAEMO 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CC[NH+](CC[C@H]1CCC[N@H+]1C)C(C)(C)C(=O)[O-] ZINC000692662187 976532009 /nfs/dbraw/zinc/53/20/09/976532009.db2.gz UWCDAHXTTBCXDD-LLVKDONJSA-N 1 1 242.363 1.656 10 0 BDAEMO C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1C(=O)[O-] ZINC000692659343 976532362 /nfs/dbraw/zinc/53/23/62/976532362.db2.gz KWGMKNWEYVPRPC-GRYCIOLGSA-N 1 1 240.347 1.123 10 0 BDAEMO C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(=O)[O-] ZINC000692659343 976532365 /nfs/dbraw/zinc/53/23/65/976532365.db2.gz KWGMKNWEYVPRPC-GRYCIOLGSA-N 1 1 240.347 1.123 10 0 BDAEMO C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1C(=O)[O-] ZINC000692659343 976532376 /nfs/dbraw/zinc/53/23/76/976532376.db2.gz KWGMKNWEYVPRPC-GRYCIOLGSA-N 1 1 240.347 1.123 10 0 BDAEMO C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)CC(=O)[O-] ZINC000694083544 976666524 /nfs/dbraw/zinc/66/65/24/976666524.db2.gz OEBYZNVNCHTWEL-SNVBAGLBSA-N 1 1 228.336 1.314 10 0 BDAEMO CCC[N@@H+]1CC[C@H](N)[C@@]12CCCOCC2 ZINC000685955289 538900581 /nfs/dbraw/zinc/90/05/81/538900581.db2.gz XHRPUWRPVSOMIY-RYUDHWBXSA-N 1 1 212.337 1.369 10 0 BDAEMO CCC[N@H+]1CC[C@H](N)[C@@]12CCCOCC2 ZINC000685955289 538900582 /nfs/dbraw/zinc/90/05/82/538900582.db2.gz XHRPUWRPVSOMIY-RYUDHWBXSA-N 1 1 212.337 1.369 10 0 BDAEMO CC[NH2+]CC(F)(F)Cn1nccc1C ZINC000685956844 538901356 /nfs/dbraw/zinc/90/13/56/538901356.db2.gz LHHWOVFSZOXDPI-UHFFFAOYSA-N 1 1 203.236 1.436 10 0 BDAEMO CC[NH2+]CC(F)(F)COCC(F)F ZINC000685956900 538901554 /nfs/dbraw/zinc/90/15/54/538901554.db2.gz JBAMLQOMSGIGBV-UHFFFAOYSA-N 1 1 203.179 1.513 10 0 BDAEMO Cc1ccc(OCC(F)(F)C[NH3+])cn1 ZINC000685955920 538901616 /nfs/dbraw/zinc/90/16/16/538901616.db2.gz TYSOSUYLBJJZRC-UHFFFAOYSA-N 1 1 202.204 1.363 10 0 BDAEMO Cc1ccncc1OCC(F)(F)C[NH3+] ZINC000685955919 538901886 /nfs/dbraw/zinc/90/18/86/538901886.db2.gz TYGXANMHLBXJLO-UHFFFAOYSA-N 1 1 202.204 1.363 10 0 BDAEMO CC(C)[NH2+]CC(F)(F)CN1CCCC1 ZINC000685956532 538902613 /nfs/dbraw/zinc/90/26/13/538902613.db2.gz CHYSCQKREYEFRH-UHFFFAOYSA-N 1 1 206.280 1.716 10 0 BDAEMO C[NH2+]CC(F)(F)CN(C)CCSC ZINC000685957306 538904192 /nfs/dbraw/zinc/90/41/92/538904192.db2.gz QHWXPSGUGFHUCQ-UHFFFAOYSA-N 1 1 212.309 1.136 10 0 BDAEMO C[NH2+]CC(F)(F)COCC(F)(F)F ZINC000685957483 538904473 /nfs/dbraw/zinc/90/44/73/538904473.db2.gz YZPSOCTUBCMFDA-UHFFFAOYSA-N 1 1 207.142 1.420 10 0 BDAEMO CCC[NH2+]CC(F)(F)COC1COC1 ZINC000685957755 538904706 /nfs/dbraw/zinc/90/47/06/538904706.db2.gz DMJPGRVSTDWYAE-UHFFFAOYSA-N 1 1 209.236 1.037 10 0 BDAEMO CC(C)[NH2+]CC(F)(F)CN(C)C1CC1 ZINC000685957632 538904752 /nfs/dbraw/zinc/90/47/52/538904752.db2.gz WCYAZTHMOAUINU-UHFFFAOYSA-N 1 1 206.280 1.714 10 0 BDAEMO CC[NH2+]CC(F)(F)CN1CC[C@H]2C[C@H]21 ZINC000685957905 538905243 /nfs/dbraw/zinc/90/52/43/538905243.db2.gz LAELHEUFXYEVJK-DTWKUNHWSA-N 1 1 204.264 1.325 10 0 BDAEMO CCN(CC(F)(F)C[NH2+]C)C(C)(C)C ZINC000685957815 538905383 /nfs/dbraw/zinc/90/53/83/538905383.db2.gz HFVRRKZYGQWAAO-UHFFFAOYSA-N 1 1 208.296 1.962 10 0 BDAEMO COC(=O)[C@H](C)[NH2+]C[C@@H](C)CC(C)(C)OC ZINC000685961078 538907970 /nfs/dbraw/zinc/90/79/70/538907970.db2.gz ODEBAYCYPDQGLW-UWVGGRQHSA-N 1 1 231.336 1.589 10 0 BDAEMO CC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685962054 538909210 /nfs/dbraw/zinc/90/92/10/538909210.db2.gz SLZNAIGMPXAJOJ-GFCCVEGCSA-N 1 1 206.289 1.035 10 0 BDAEMO CC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000685962054 538909212 /nfs/dbraw/zinc/90/92/12/538909212.db2.gz SLZNAIGMPXAJOJ-GFCCVEGCSA-N 1 1 206.289 1.035 10 0 BDAEMO C[C@@H]1C[NH+](CCOCC(F)F)C[C@@H](C)O1 ZINC000188573776 349487568 /nfs/dbraw/zinc/48/75/68/349487568.db2.gz ANCHRLKDNRRQMU-RKDXNWHRSA-N 1 1 223.263 1.377 10 0 BDAEMO N#CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306697933 398176086 /nfs/dbraw/zinc/17/60/86/398176086.db2.gz GPRIWJGJYBMWMX-GJZGRUSLSA-N 1 1 241.338 1.921 10 0 BDAEMO Cc1cc(CNc2[nH+]cccc2N)on1 ZINC000044988362 178045178 /nfs/dbraw/zinc/04/51/78/178045178.db2.gz DZYWRVIBTVPKGY-UHFFFAOYSA-N 1 1 204.233 1.572 10 0 BDAEMO Cc1cc(F)ccc1-c1nnc(C[NH3+])o1 ZINC000083344961 178081241 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BDAEMO N[C@@H](CC[NH3+])c1ccc(F)c(F)c1F ZINC000306805115 351056439 /nfs/dbraw/zinc/05/64/39/351056439.db2.gz ZLKWPXXKMNCGBD-ZETCQYMHSA-N 1 1 204.195 1.453 10 0 BDAEMO OCC[N@H+]1CCC[C@@H](c2cccnn2)CC1 ZINC000616629744 351100873 /nfs/dbraw/zinc/10/08/73/351100873.db2.gz ZXYQAZDMCJSDFM-LLVKDONJSA-N 1 1 221.304 1.038 10 0 BDAEMO c1onnc1[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616631582 351105364 /nfs/dbraw/zinc/10/53/64/351105364.db2.gz DABCFMIQQWIOFJ-LBPRGKRZSA-N 1 1 244.298 1.216 10 0 BDAEMO c1onnc1[C@@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC000616631582 351105366 /nfs/dbraw/zinc/10/53/66/351105366.db2.gz DABCFMIQQWIOFJ-LBPRGKRZSA-N 1 1 244.298 1.216 10 0 BDAEMO C[N@@H+]1CCN[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616632384 351111176 /nfs/dbraw/zinc/11/11/76/351111176.db2.gz PBYCGWFDHWELAZ-CYBMUJFWSA-N 1 1 228.299 1.206 10 0 BDAEMO C[N@H+]1CCN[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616632384 351111177 /nfs/dbraw/zinc/11/11/77/351111177.db2.gz PBYCGWFDHWELAZ-CYBMUJFWSA-N 1 1 228.299 1.206 10 0 BDAEMO C[N@H+]1CCN[C@@H](c2cc3ccccc3cn2)C1 ZINC000616632677 351111959 /nfs/dbraw/zinc/11/19/59/351111959.db2.gz WWJCQINWFWTYHO-CQSZACIVSA-N 1 1 227.311 1.811 10 0 BDAEMO CN1CC[NH2+][C@@H](c2cc3ccccc3cn2)C1 ZINC000616632677 351111962 /nfs/dbraw/zinc/11/19/62/351111962.db2.gz WWJCQINWFWTYHO-CQSZACIVSA-N 1 1 227.311 1.811 10 0 BDAEMO CC(C)(C)[N@@H+]1CCN[C@@H](OC(F)(F)F)C1 ZINC000616632667 351112175 /nfs/dbraw/zinc/11/21/75/351112175.db2.gz WNQVJEKGYGCATA-ZETCQYMHSA-N 1 1 226.242 1.553 10 0 BDAEMO CC(C)(C)[N@H+]1CCN[C@@H](OC(F)(F)F)C1 ZINC000616632667 351112178 /nfs/dbraw/zinc/11/21/78/351112178.db2.gz WNQVJEKGYGCATA-ZETCQYMHSA-N 1 1 226.242 1.553 10 0 BDAEMO OCC[N@H+]1CCC[C@H]1c1cnnc2ccccc21 ZINC000616633550 351115038 /nfs/dbraw/zinc/11/50/38/351115038.db2.gz MEFBCQGQCRDXND-AWEZNQCLSA-N 1 1 243.310 1.759 10 0 BDAEMO CC(C)(C)[N@H+]1CCN[C@H](c2ccncc2)C1 ZINC000616634409 351117021 /nfs/dbraw/zinc/11/70/21/351117021.db2.gz SANRKSXROQBSCP-LBPRGKRZSA-N 1 1 219.332 1.826 10 0 BDAEMO CC(C)(C)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000616634409 351117022 /nfs/dbraw/zinc/11/70/22/351117022.db2.gz SANRKSXROQBSCP-LBPRGKRZSA-N 1 1 219.332 1.826 10 0 BDAEMO CC(C)(C)[N@H+]1CCN[C@H](c2ncc[nH]2)C1 ZINC000616634461 351117087 /nfs/dbraw/zinc/11/70/87/351117087.db2.gz SXDKUZNOBYSNNA-VIFPVBQESA-N 1 1 208.309 1.155 10 0 BDAEMO OCC[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000616625086 351092542 /nfs/dbraw/zinc/09/25/42/351092542.db2.gz VRCOZWKKAIWNAM-CYBMUJFWSA-N 1 1 220.316 1.991 10 0 BDAEMO Nc1ncccc1[C@H]1CCCCC[N@H+]1CCO ZINC000616625341 351094069 /nfs/dbraw/zinc/09/40/69/351094069.db2.gz ZHICNDNIVYWWLF-GFCCVEGCSA-N 1 1 235.331 1.573 10 0 BDAEMO C/C(=C\Cl)CN1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000306850068 351159295 /nfs/dbraw/zinc/15/92/95/351159295.db2.gz ODEYMLPCUMYNLE-SYSLIXBVSA-N 1 1 200.713 1.408 10 0 BDAEMO CC(C)[N@@H+]1CCCOC[C@@H]1c1cc[nH]n1 ZINC000616647372 351166471 /nfs/dbraw/zinc/16/64/71/351166471.db2.gz ZPZOATMICSYEJT-LLVKDONJSA-N 1 1 209.293 1.582 10 0 BDAEMO CC(C)[N@H+]1CCCOC[C@@H]1c1cc[nH]n1 ZINC000616647372 351166472 /nfs/dbraw/zinc/16/64/72/351166472.db2.gz ZPZOATMICSYEJT-LLVKDONJSA-N 1 1 209.293 1.582 10 0 BDAEMO CC(C)[N@H+]1CCCO[C@@H](c2cncnc2)C1 ZINC000616653656 351193679 /nfs/dbraw/zinc/19/36/79/351193679.db2.gz SFZSPCJVEPTNFG-GFCCVEGCSA-N 1 1 221.304 1.648 10 0 BDAEMO CC(C)(C)[N@H+]1CCCOC[C@@H]1c1cc[nH]n1 ZINC000616646835 351172183 /nfs/dbraw/zinc/17/21/83/351172183.db2.gz WVXTUMHAIOHHDA-LLVKDONJSA-N 1 1 223.320 1.972 10 0 BDAEMO CC[N@@H+]1CCO[C@H](c2cccc(CO)c2)C1 ZINC000616648066 351175480 /nfs/dbraw/zinc/17/54/80/351175480.db2.gz NKKKXYFUFUIWCN-ZDUSSCGKSA-N 1 1 221.300 1.572 10 0 BDAEMO CC[N@H+]1CCO[C@H](c2cccc(CO)c2)C1 ZINC000616648066 351175483 /nfs/dbraw/zinc/17/54/83/351175483.db2.gz NKKKXYFUFUIWCN-ZDUSSCGKSA-N 1 1 221.300 1.572 10 0 BDAEMO CC(C)[N@H+]1CCCO[C@@H](c2conn2)C1 ZINC000616653639 351193961 /nfs/dbraw/zinc/19/39/61/351193961.db2.gz RNHRDCJEVSTYKC-SNVBAGLBSA-N 1 1 211.265 1.241 10 0 BDAEMO CO[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000616651371 351182094 /nfs/dbraw/zinc/18/20/94/351182094.db2.gz MVHFXGIBTAPUGQ-CYBMUJFWSA-N 1 1 221.300 1.881 10 0 BDAEMO C[N@H+]1CCCO[C@H](c2ccccc2CO)C1 ZINC000616650532 351184510 /nfs/dbraw/zinc/18/45/10/351184510.db2.gz CHGIUWXXQQGODZ-ZDUSSCGKSA-N 1 1 221.300 1.572 10 0 BDAEMO Nc1ccc([C@@H]2CCCC[N@@H+](CCO)C2)cc1 ZINC000616654827 351190838 /nfs/dbraw/zinc/19/08/38/351190838.db2.gz NWPBFLZXKCHDHV-CYBMUJFWSA-N 1 1 234.343 1.831 10 0 BDAEMO CC[N@@H+]1CCNC[C@@H]1c1ccc(CCO)cc1 ZINC000616636826 351129430 /nfs/dbraw/zinc/12/94/30/351129430.db2.gz DPABWUTUCGSSRV-CQSZACIVSA-N 1 1 234.343 1.188 10 0 BDAEMO CC[N@H+]1CCNC[C@@H]1c1ccc(CCO)cc1 ZINC000616636826 351129434 /nfs/dbraw/zinc/12/94/34/351129434.db2.gz DPABWUTUCGSSRV-CQSZACIVSA-N 1 1 234.343 1.188 10 0 BDAEMO CC[N@@H+]1CCNC[C@@H]1c1cccc(CCO)c1 ZINC000616637324 351132364 /nfs/dbraw/zinc/13/23/64/351132364.db2.gz KDDMKWNVCNTDRD-CQSZACIVSA-N 1 1 234.343 1.188 10 0 BDAEMO CC[N@H+]1CCNC[C@@H]1c1cccc(CCO)c1 ZINC000616637324 351132365 /nfs/dbraw/zinc/13/23/65/351132365.db2.gz KDDMKWNVCNTDRD-CQSZACIVSA-N 1 1 234.343 1.188 10 0 BDAEMO C[N@@H+]1CCc2ccccc2[C@H]1c1cc[nH]n1 ZINC000616678746 351249488 /nfs/dbraw/zinc/24/94/88/351249488.db2.gz FTSHVUKRDSUYGF-ZDUSSCGKSA-N 1 1 213.284 1.987 10 0 BDAEMO C[N@H+]1CCc2ccccc2[C@H]1c1cc[nH]n1 ZINC000616678746 351249490 /nfs/dbraw/zinc/24/94/90/351249490.db2.gz FTSHVUKRDSUYGF-ZDUSSCGKSA-N 1 1 213.284 1.987 10 0 BDAEMO CCN1CCc2ccccc2[C@H]1c1nnc[nH]1 ZINC000616679210 351250164 /nfs/dbraw/zinc/25/01/64/351250164.db2.gz MIDYYYNIXPFFMH-LBPRGKRZSA-N 1 1 228.299 1.772 10 0 BDAEMO CCN1CCc2ccccc2[C@@H]1c1c[nH]nn1 ZINC000616679294 351250412 /nfs/dbraw/zinc/25/04/12/351250412.db2.gz SVKVJJWYUUELOT-CYBMUJFWSA-N 1 1 228.299 1.772 10 0 BDAEMO OC[C@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616657761 351199108 /nfs/dbraw/zinc/19/91/08/351199108.db2.gz GKYDIJRABYSAIN-CYBMUJFWSA-N 1 1 221.300 1.270 10 0 BDAEMO CCOC(=O)[C@@H]1CCOCC[N@@H+]1C(C)C ZINC000616657908 351199704 /nfs/dbraw/zinc/19/97/04/351199704.db2.gz ZVUZNIFAYYOIDA-JTQLQIEISA-N 1 1 215.293 1.049 10 0 BDAEMO CCOC(=O)[C@@H]1CCOCC[N@H+]1C(C)C ZINC000616657908 351199707 /nfs/dbraw/zinc/19/97/07/351199707.db2.gz ZVUZNIFAYYOIDA-JTQLQIEISA-N 1 1 215.293 1.049 10 0 BDAEMO CC(C)(C)[N@H+]1CCOCC[C@@H]1c1cc[nH]n1 ZINC000616655613 351200331 /nfs/dbraw/zinc/20/03/31/351200331.db2.gz IAEZUBUOZYKLBY-LLVKDONJSA-N 1 1 223.320 1.972 10 0 BDAEMO CC(C)[N@@H+]1CCOCC[C@@H]1c1cnno1 ZINC000616655591 351200506 /nfs/dbraw/zinc/20/05/06/351200506.db2.gz HARNWHCHBLYHAX-SECBINFHSA-N 1 1 211.265 1.241 10 0 BDAEMO CC(C)[N@H+]1CCOCC[C@@H]1c1cnno1 ZINC000616655591 351200509 /nfs/dbraw/zinc/20/05/09/351200509.db2.gz HARNWHCHBLYHAX-SECBINFHSA-N 1 1 211.265 1.241 10 0 BDAEMO C[N@H+]1CCOCC[C@@H]1c1ccc(N)cc1 ZINC000616655612 351200606 /nfs/dbraw/zinc/20/06/06/351200606.db2.gz HZUSFWHTKDBGMG-GFCCVEGCSA-N 1 1 206.289 1.662 10 0 BDAEMO CC(C)(C)[N@H+]1CCOC[C@H](c2cnoc2)C1 ZINC000616660453 351203446 /nfs/dbraw/zinc/20/34/46/351203446.db2.gz NAXKHSZTTFIXBJ-LLVKDONJSA-N 1 1 224.304 1.889 10 0 BDAEMO OCC[C@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616660256 351203450 /nfs/dbraw/zinc/20/34/50/351203450.db2.gz VBDPYRVYYMWEAM-AWEZNQCLSA-N 1 1 235.327 1.660 10 0 BDAEMO CC(=O)N[C@@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616658879 351205377 /nfs/dbraw/zinc/20/53/77/351205377.db2.gz GNGFZVJDEJJYEQ-AWEZNQCLSA-N 1 1 248.326 1.024 10 0 BDAEMO CC(C)(C)[N@H+]1CCOC[C@@H](c2nnc[nH]2)C1 ZINC000616659070 351206391 /nfs/dbraw/zinc/20/63/91/351206391.db2.gz BTSQYHIJMKWEEI-VIFPVBQESA-N 1 1 224.308 1.019 10 0 BDAEMO CC[N@H+]1CCOC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616659361 351207145 /nfs/dbraw/zinc/20/71/45/351207145.db2.gz IYKQWDVTLFPDCW-CYBMUJFWSA-N 1 1 248.326 1.221 10 0 BDAEMO CC(C)[N@H+]1CCOC[C@@H](c2c[nH]cn2)C1 ZINC000616661530 351209769 /nfs/dbraw/zinc/20/97/69/351209769.db2.gz UCHQNORJRNEJSB-JTQLQIEISA-N 1 1 209.293 1.234 10 0 BDAEMO CC(C)(C)[N@H+]1CCOC[C@@H](c2cccnc2N)C1 ZINC000616660689 351213165 /nfs/dbraw/zinc/21/31/65/351213165.db2.gz NKYQXXXJJVFOOX-NSHDSACASA-N 1 1 249.358 1.878 10 0 BDAEMO CC(C)(C)[N@H+]1CCOC[C@H](c2cncnc2)C1 ZINC000616660654 351213437 /nfs/dbraw/zinc/21/34/37/351213437.db2.gz PANSCXHPOGLENS-GFCCVEGCSA-N 1 1 235.331 1.691 10 0 BDAEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616664034 351216788 /nfs/dbraw/zinc/21/67/88/351216788.db2.gz LWRXAKDBHUHABT-ZDUSSCGKSA-N 1 1 249.310 1.451 10 0 BDAEMO Nc1ccccc1[C@@H]1CC[N@@H+](CCO)CCO1 ZINC000616665221 351222350 /nfs/dbraw/zinc/22/23/50/351222350.db2.gz BOSQFIWQLNHYGV-ZDUSSCGKSA-N 1 1 236.315 1.025 10 0 BDAEMO Cc1nccc(NC2CC[NH2+]CC2)c1Cl ZINC000379951642 351299870 /nfs/dbraw/zinc/29/98/70/351299870.db2.gz FIYHCJKPBSDZDF-UHFFFAOYSA-N 1 1 225.723 1.629 10 0 BDAEMO C[C@@H]1C[C@H]([N@@H+]2CCNC[C@H]2C)CS1 ZINC000306911657 351323719 /nfs/dbraw/zinc/32/37/19/351323719.db2.gz QZJRIVHCGVIOCW-BBBLOLIVSA-N 1 1 200.351 1.174 10 0 BDAEMO C[C@@H]1C[C@H]([N@H+]2CCNC[C@H]2C)CS1 ZINC000306911657 351323721 /nfs/dbraw/zinc/32/37/21/351323721.db2.gz QZJRIVHCGVIOCW-BBBLOLIVSA-N 1 1 200.351 1.174 10 0 BDAEMO Cc1ncc(C(=O)[C@@H]([NH3+])C(C)(C)C)n1C ZINC000306877595 351270624 /nfs/dbraw/zinc/27/06/24/351270624.db2.gz COCHRDKKCGTGAL-SNVBAGLBSA-N 1 1 209.293 1.285 10 0 BDAEMO Cn1ccc(C(=O)C[NH+]2CCCCC2)c1 ZINC000035020108 351384451 /nfs/dbraw/zinc/38/44/51/351384451.db2.gz VKSDDUOQQYTWRF-UHFFFAOYSA-N 1 1 206.289 1.694 10 0 BDAEMO Nc1ccc(N2CCCC3(C2)OCCO3)[nH+]c1 ZINC000133629507 351414637 /nfs/dbraw/zinc/41/46/37/351414637.db2.gz FPPPDOMXKBNAFQ-UHFFFAOYSA-N 1 1 235.287 1.007 10 0 BDAEMO C[C@@H](C(N)=S)[N@@H+]1CCC=C(Br)C1 ZINC000404382757 351415627 /nfs/dbraw/zinc/41/56/27/351415627.db2.gz NUOVHLKTBCNJTO-LURJTMIESA-N 1 1 249.177 1.646 10 0 BDAEMO C[C@@H](C(N)=S)[N@H+]1CCC=C(Br)C1 ZINC000404382757 351415630 /nfs/dbraw/zinc/41/56/30/351415630.db2.gz NUOVHLKTBCNJTO-LURJTMIESA-N 1 1 249.177 1.646 10 0 BDAEMO C[C@H]1C[C@]2(COC(=O)N2)C[N@H+]1Cc1ccccc1 ZINC000307145268 351498212 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/nfs/dbraw/zinc/58/56/60/352585660.db2.gz FJMOLTMCOOFFHD-IVZWLZJFSA-N 1 1 200.351 1.032 10 0 BDAEMO Cc1ncc([C@H]([NH3+])c2cscn2)n1C ZINC000307573670 352658415 /nfs/dbraw/zinc/65/84/15/352658415.db2.gz BFGPMEWPCGQHCK-SECBINFHSA-N 1 1 208.290 1.233 10 0 BDAEMO CC[C@]([NH3+])(COC)C(=O)OCc1ccccc1 ZINC000307510813 352631539 /nfs/dbraw/zinc/63/15/39/352631539.db2.gz OTRJBNGYEQTHLH-ZDUSSCGKSA-N 1 1 237.299 1.484 10 0 BDAEMO CC[C@@]([NH3+])(COC)C(=O)OCc1ccccc1 ZINC000307510808 352631688 /nfs/dbraw/zinc/63/16/88/352631688.db2.gz OTRJBNGYEQTHLH-CYBMUJFWSA-N 1 1 237.299 1.484 10 0 BDAEMO O[C@@H]1CC[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2C1 ZINC000412047763 191243949 /nfs/dbraw/zinc/24/39/49/191243949.db2.gz PHNFFMAJQMFUSP-JHJVBQTASA-N 1 1 239.359 1.648 10 0 BDAEMO CC(C)[N@@H+](C)[C@H](CN)Cc1ccccc1 ZINC000019258175 188002464 /nfs/dbraw/zinc/00/24/64/188002464.db2.gz AWLIBFOMAQISTE-ZDUSSCGKSA-N 1 1 206.333 1.897 10 0 BDAEMO CC(C)N(C)[C@H](C[NH3+])Cc1ccccc1 ZINC000019258175 188002465 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535286960 /nfs/dbraw/zinc/28/69/60/535286960.db2.gz ANKMIJJMVWAEPU-GFCCVEGCSA-N 1 1 226.364 1.318 10 0 BDAEMO CC(C)(O)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086829559 535286962 /nfs/dbraw/zinc/28/69/62/535286962.db2.gz ANKMIJJMVWAEPU-GFCCVEGCSA-N 1 1 226.364 1.318 10 0 BDAEMO CC(C)(O)CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000086829559 535286965 /nfs/dbraw/zinc/28/69/65/535286965.db2.gz ANKMIJJMVWAEPU-GFCCVEGCSA-N 1 1 226.364 1.318 10 0 BDAEMO CC[N@@H+]1CC[C@H](N[C@@H](C)c2ccnn2C)C1 ZINC000389174754 355756960 /nfs/dbraw/zinc/75/69/60/355756960.db2.gz OSDIJGGYBIHLHL-QWRGUYRKSA-N 1 1 222.336 1.165 10 0 BDAEMO CCC(=O)CCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398762106 355757046 /nfs/dbraw/zinc/75/70/46/355757046.db2.gz APLXPELPSWKZLV-OUCADQQQSA-N 1 1 239.359 1.839 10 0 BDAEMO CCn1cc(CN[C@H]2CC[N@H+](CC)C2)cn1 ZINC000389197254 355838637 /nfs/dbraw/zinc/83/86/37/355838637.db2.gz XOIJTNMTVWOAFV-LBPRGKRZSA-N 1 1 222.336 1.087 10 0 BDAEMO CCn1cc(CN[C@H]2CC[N@@H+](CC)C2)cn1 ZINC000389197254 355838641 /nfs/dbraw/zinc/83/86/41/355838641.db2.gz XOIJTNMTVWOAFV-LBPRGKRZSA-N 1 1 222.336 1.087 10 0 BDAEMO CC1(C)CO[C@H](C[N@H+]2CC[C@H](CCO)C2)C1 ZINC000639500115 356329314 /nfs/dbraw/zinc/32/93/14/356329314.db2.gz PQKZUMLTMOHQRB-NEPJUHHUSA-N 1 1 227.348 1.506 10 0 BDAEMO NC(=O)[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037460194 181265405 /nfs/dbraw/zinc/26/54/05/181265405.db2.gz TVEWEPVSANYZTH-ZETCQYMHSA-N 1 1 219.071 1.479 10 0 BDAEMO NC(=O)[C@@H]([NH2+]C1CC1)c1ccccc1F ZINC000037870535 181264680 /nfs/dbraw/zinc/26/46/80/181264680.db2.gz NIWKQGZIAAZEBW-JTQLQIEISA-N 1 1 208.236 1.104 10 0 BDAEMO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000336160301 134111302 /nfs/dbraw/zinc/11/13/02/134111302.db2.gz GFKBNUQVZNQOMW-STQMWFEESA-N 1 1 237.343 1.999 10 0 BDAEMO NC(=O)[C@H]([NH2+]CC1CC1)c1ccc(F)cc1F ZINC000038000900 181277980 /nfs/dbraw/zinc/27/79/80/181277980.db2.gz WYTQPHZUKKJOHO-LLVKDONJSA-N 1 1 240.253 1.491 10 0 BDAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCOCC1CC1 ZINC000421022094 192306108 /nfs/dbraw/zinc/30/61/08/192306108.db2.gz QFJOYCFOGPZZQQ-CMPLNLGQSA-N 1 1 213.321 1.258 10 0 BDAEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c(C[NH3+])cnn2C)C1 ZINC000675056921 538479480 /nfs/dbraw/zinc/47/94/80/538479480.db2.gz ZCPIPWXDXZFFRV-PHIMTYICSA-N 1 1 236.363 1.357 10 0 BDAEMO CC(C)CN(CC(C)C)[C@@H]1C[NH2+]CC[C@@H]1O ZINC000675058333 538481739 /nfs/dbraw/zinc/48/17/39/538481739.db2.gz ANCPKBYXVBQVOV-OLZOCXBDSA-N 1 1 228.380 1.323 10 0 BDAEMO CCC[N@@H+](CC)C[C@@H]1CC[C@H](CO)O1 ZINC000675059145 538483125 /nfs/dbraw/zinc/48/31/25/538483125.db2.gz LLGAFTDOAFDHJK-WDEREUQCSA-N 1 1 201.310 1.258 10 0 BDAEMO C[C@@H]1CC[C@@](O)(C(F)(F)C[NH3+])C[C@H]1C ZINC000675072939 538504049 /nfs/dbraw/zinc/50/40/49/538504049.db2.gz DWLUUCKTKPYMOK-HLTSFMKQSA-N 1 1 207.264 1.768 10 0 BDAEMO C[C@@H]1CC[C@@](O)(C(F)(F)C[NH3+])C[C@@H]1C ZINC000675072942 538504467 /nfs/dbraw/zinc/50/44/67/538504467.db2.gz DWLUUCKTKPYMOK-VGMNWLOBSA-N 1 1 207.264 1.768 10 0 BDAEMO C[C@@H]1C[C@@H](C)CC(O)(C(F)(F)C[NH3+])C1 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FJVCBGXCCACEKD-UHFFFAOYSA-N 1 1 219.332 1.059 10 0 BDAEMO C[N@H+]1CC[C@@H](Nc2ccnc(Cl)n2)C1 ZINC000051849795 173125842 /nfs/dbraw/zinc/12/58/42/173125842.db2.gz SDLODRVEUGOJJK-SSDOTTSWSA-N 1 1 212.684 1.246 10 0 BDAEMO C[N@H+]1CCO[C@H](Cn2ccc3ccccc32)C1 ZINC000034432663 173108569 /nfs/dbraw/zinc/10/85/69/173108569.db2.gz DEAHIWKXNZNZPP-ZDUSSCGKSA-N 1 1 230.311 1.972 10 0 BDAEMO CN(C)c1ccc(N[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000061985454 173126341 /nfs/dbraw/zinc/12/63/41/173126341.db2.gz LXQYHEDGKRADLB-LLVKDONJSA-N 1 1 220.320 1.264 10 0 BDAEMO C[N@H+]1CC[C@@H](Nc2nccnc2Cl)C1 ZINC000043538037 173127023 /nfs/dbraw/zinc/12/70/23/173127023.db2.gz PCHJPXGICIITIO-SSDOTTSWSA-N 1 1 212.684 1.246 10 0 BDAEMO C[N@H+]1CC[C@@]2(CCCN2c2cccnc2)C1 ZINC000090504965 173137339 /nfs/dbraw/zinc/13/73/39/173137339.db2.gz LZPRBZUMUFPWFX-ZDUSSCGKSA-N 1 1 217.316 1.756 10 0 BDAEMO C[N@H+]1CC[C@H](NC(=O)CCc2ccccc2N)C1 ZINC000042550073 173150865 /nfs/dbraw/zinc/15/08/65/173150865.db2.gz BKORHAPVIPYBLF-LBPRGKRZSA-N 1 1 247.342 1.022 10 0 BDAEMO C[N@H+]1CC[C@H](Nc2ccc(N)c3cccnc23)C1 ZINC000042545024 173154421 /nfs/dbraw/zinc/15/44/21/173154421.db2.gz UNNGXAKLCQSPCN-JTQLQIEISA-N 1 1 242.326 1.933 10 0 BDAEMO C[N@H+]1CC[C@](CO)(Nc2ccc(F)cc2)C1 ZINC000061992113 173162347 /nfs/dbraw/zinc/16/23/47/173162347.db2.gz JSHZQFKPDCYCEU-LBPRGKRZSA-N 1 1 224.279 1.304 10 0 BDAEMO CNC(=O)[C@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000225260876 173303247 /nfs/dbraw/zinc/30/32/47/173303247.db2.gz YGRVCRWLPSCKJC-LURJTMIESA-N 1 1 246.232 1.328 10 0 BDAEMO C[NH2+]C(C)(C)c1nc(C[C@@H]2CCCO2)no1 ZINC000061151323 173321272 /nfs/dbraw/zinc/32/12/72/173321272.db2.gz SERKJZWEQSHMRK-QMMMGPOBSA-N 1 1 225.292 1.246 10 0 BDAEMO C[NH2+]C1(C(=O)OC)CCC(C(C)C)CC1 ZINC000054557378 173321501 /nfs/dbraw/zinc/32/15/01/173321501.db2.gz UGGXSHOLJMUMFD-UHFFFAOYSA-N 1 1 213.321 1.964 10 0 BDAEMO C[NH2+]C1CCN([C@H](C)[C@@H]2CCCO2)CC1 ZINC000035735972 173324281 /nfs/dbraw/zinc/32/42/81/173324281.db2.gz AIOKDRGIADLWMF-PWSUYJOCSA-N 1 1 212.337 1.238 10 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10 0 BDAEMO CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(C)o1 ZINC000310435239 411238509 /nfs/dbraw/zinc/23/85/09/411238509.db2.gz UISNPUOSNQYVNZ-RYUDHWBXSA-N 1 1 240.347 1.551 10 0 BDAEMO CC(C)(C)[N@@H+]1CCNC[C@H]1c1ccnc(N)c1 ZINC000616638015 411239919 /nfs/dbraw/zinc/23/99/19/411239919.db2.gz UDHNPMUSGUHCQH-NSHDSACASA-N 1 1 234.347 1.409 10 0 BDAEMO CC(C)(C)[N@H+]1CCNC[C@H]1c1ccnc(N)c1 ZINC000616638015 411239923 /nfs/dbraw/zinc/23/99/23/411239923.db2.gz UDHNPMUSGUHCQH-NSHDSACASA-N 1 1 234.347 1.409 10 0 BDAEMO CC(C)(C)[N@H+]1CCOC[C@@H](c2ccc(N)nc2)C1 ZINC000616598181 411241017 /nfs/dbraw/zinc/24/10/17/411241017.db2.gz PNCOCPVUDOKCBL-LBPRGKRZSA-N 1 1 249.358 1.878 10 0 BDAEMO CCc1cc(N2C[C@H](C)C[C@H](O)C2)nc(C)[nH+]1 ZINC000401700500 411289590 /nfs/dbraw/zinc/28/95/90/411289590.db2.gz NKAXUXVXIJGKIE-SKDRFNHKSA-N 1 1 235.331 1.555 10 0 BDAEMO C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]1(C)C(=O)[O-] ZINC000652480403 411254169 /nfs/dbraw/zinc/25/41/69/411254169.db2.gz DYXFYOWLKIVASA-YPMHNXCESA-N 1 1 240.347 1.410 10 0 BDAEMO C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000652480403 411254171 /nfs/dbraw/zinc/25/41/71/411254171.db2.gz DYXFYOWLKIVASA-YPMHNXCESA-N 1 1 240.347 1.410 10 0 BDAEMO C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000652480403 411254174 /nfs/dbraw/zinc/25/41/74/411254174.db2.gz DYXFYOWLKIVASA-YPMHNXCESA-N 1 1 240.347 1.410 10 0 BDAEMO CC[C@](C)(O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662038632 411352971 /nfs/dbraw/zinc/35/29/71/411352971.db2.gz WPEXYFYVCBTIOO-WOPDTQHZSA-N 1 1 213.321 1.116 10 0 BDAEMO CC[N@H+]1CC[C@@H](CNc2nsnc2Cl)C1 ZINC000037484464 170009277 /nfs/dbraw/zinc/00/92/77/170009277.db2.gz JDHSTGGLCXBYPM-ZETCQYMHSA-N 1 1 246.767 1.945 10 0 BDAEMO CC[N@H+]1CC[C@H](CNc2ccc(F)cn2)C1 ZINC000041045407 170016460 /nfs/dbraw/zinc/01/64/60/170016460.db2.gz PUWPHJJVXLKDFQ-SNVBAGLBSA-N 1 1 223.295 1.974 10 0 BDAEMO CC[N@H+]1CC[C@H](N=c2[nH]c3ccccc3o2)C1 ZINC000334578478 170018023 /nfs/dbraw/zinc/01/80/23/170018023.db2.gz JQFGAGHKFALWDX-JTQLQIEISA-N 1 1 231.299 1.756 10 0 BDAEMO CCN1CC[C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)C1 ZINC000328277855 170022091 /nfs/dbraw/zinc/02/20/91/170022091.db2.gz RDAVQLVGTWHWMT-AGIUHOORSA-N 1 1 225.380 1.153 10 0 BDAEMO CCN1CCc2nc(C[C@H](C)[NH3+])sc2C1 ZINC000054160996 170025191 /nfs/dbraw/zinc/02/51/91/170025191.db2.gz WCFWYBGBXFAEEI-QMMMGPOBSA-N 1 1 225.361 1.411 10 0 BDAEMO CC[N@H+]1CCc2nc(Cl)nc(C)c2C1 ZINC000062202878 170025453 /nfs/dbraw/zinc/02/54/53/170025453.db2.gz PRHPOAOYQBORAI-UHFFFAOYSA-N 1 1 211.696 1.816 10 0 BDAEMO CC[N@@H+]1C[C@H](NCc2cc(C)no2)[C@@H](C)C1 ZINC000336672134 170036678 /nfs/dbraw/zinc/03/66/78/170036678.db2.gz ACVSUPYBQCWTKG-CABZTGNLSA-N 1 1 223.320 1.413 10 0 BDAEMO CCN1C[C@H]([NH2+]Cc2cc(C)no2)[C@@H](C)C1 ZINC000336672134 170036679 /nfs/dbraw/zinc/03/66/79/170036679.db2.gz ACVSUPYBQCWTKG-CABZTGNLSA-N 1 1 223.320 1.413 10 0 BDAEMO CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000037690851 170109692 /nfs/dbraw/zinc/10/96/92/170109692.db2.gz IPGBNSUOTQQVBZ-OLZOCXBDSA-N 1 1 226.364 1.364 10 0 BDAEMO CC[NH2+][C@@H](c1cccnc1)c1cnccn1 ZINC000037762102 170148642 /nfs/dbraw/zinc/14/86/42/170148642.db2.gz FYAVOSLXTAHHQK-LBPRGKRZSA-N 1 1 214.272 1.571 10 0 BDAEMO CC[NH2+][C@@H](c1cncnc1)c1ccccn1 ZINC000052887084 170149872 /nfs/dbraw/zinc/14/98/72/170149872.db2.gz KQHYTMGSYSYSJO-LBPRGKRZSA-N 1 1 214.272 1.571 10 0 BDAEMO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCSCC1 ZINC000053864305 170150609 /nfs/dbraw/zinc/15/06/09/170150609.db2.gz YHPYJYNUFYBXNO-VXGBXAGGSA-N 1 1 228.405 1.813 10 0 BDAEMO CC[NH2+][C@H](C)c1nnc([C@H]2CCCCO2)o1 ZINC000050973897 170160135 /nfs/dbraw/zinc/16/01/35/170160135.db2.gz FHZSSRMLUBXTMU-RKDXNWHRSA-N 1 1 225.292 1.982 10 0 BDAEMO CC[NH2+][C@H](CC[N@@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524185 170161547 /nfs/dbraw/zinc/16/15/47/170161547.db2.gz CUJNUHJRKLWHEB-NWDGAFQWSA-N 1 1 244.379 1.806 10 0 BDAEMO CC[NH2+][C@H]1CCC[C@H]1CN1CCN(C)CC1 ZINC000053861536 170166732 /nfs/dbraw/zinc/16/67/32/170166732.db2.gz GFDHAQFTSVIIHI-STQMWFEESA-N 1 1 225.380 1.012 10 0 BDAEMO CC[C@H](CC(F)F)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000660148189 411546111 /nfs/dbraw/zinc/54/61/11/411546111.db2.gz MYFYVIPEDGYCCH-BBBLOLIVSA-N 1 1 237.290 1.095 10 0 BDAEMO CC[NH2+][C@H]1c2cccc(F)c2S(=O)(=O)[C@@H]1C ZINC000043636549 170169676 /nfs/dbraw/zinc/16/96/76/170169676.db2.gz MMJABFWJTZIBJH-GMSGAONNSA-N 1 1 243.303 1.652 10 0 BDAEMO CCOC(=O)[C@@H]([NH3+])Cc1cccc(C)c1C ZINC000061893003 170254114 /nfs/dbraw/zinc/25/41/14/170254114.db2.gz LLBBNAQKVXRJDR-LBPRGKRZSA-N 1 1 221.300 1.736 10 0 BDAEMO CCOC(=O)[C@@H]1C[C@@H](Cc2ccccc2)C[NH2+]1 ZINC000004203190 170259905 /nfs/dbraw/zinc/25/99/05/170259905.db2.gz BHAUJMSBJFTASK-OLZOCXBDSA-N 1 1 233.311 1.770 10 0 BDAEMO CCOC(=O)[C@H]([NH3+])CCO[C@@H](C)CC ZINC000062595456 170274021 /nfs/dbraw/zinc/27/40/21/170274021.db2.gz NXBGOVUSBBINFA-DTWKUNHWSA-N 1 1 203.282 1.082 10 0 BDAEMO CCOC(=O)[C@H]([NH3+])Cc1cnc2ccccc2c1 ZINC000044339552 170274960 /nfs/dbraw/zinc/27/49/60/170274960.db2.gz KVIWDMQIWAIWBV-GFCCVEGCSA-N 1 1 244.294 1.668 10 0 BDAEMO CCOC(=O)c1c(N)[nH+]c(C)c(C)c1C ZINC000211758790 170288834 /nfs/dbraw/zinc/28/88/34/170288834.db2.gz CNEWVUNRSJOGTP-UHFFFAOYSA-N 1 1 208.261 1.766 10 0 BDAEMO CCOC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000096033034 170301643 /nfs/dbraw/zinc/30/16/43/170301643.db2.gz NAMKJBOXVJRXJH-UHFFFAOYSA-N 1 1 215.640 1.197 10 0 BDAEMO CCOCCCN1CC[NH2+]CC[C@H]1C ZINC000071508080 170373974 /nfs/dbraw/zinc/37/39/74/170373974.db2.gz MQDIJLYWBLEBQJ-LLVKDONJSA-N 1 1 200.326 1.097 10 0 BDAEMO CCOCCC[N@@H+]1CCNCC[C@H]1C ZINC000071508080 170373975 /nfs/dbraw/zinc/37/39/75/170373975.db2.gz MQDIJLYWBLEBQJ-LLVKDONJSA-N 1 1 200.326 1.097 10 0 BDAEMO CCOCCC[N@H+]1CCNCC[C@H]1C ZINC000071508080 170373976 /nfs/dbraw/zinc/37/39/76/170373976.db2.gz MQDIJLYWBLEBQJ-LLVKDONJSA-N 1 1 200.326 1.097 10 0 BDAEMO CCOCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C ZINC000083085235 170375316 /nfs/dbraw/zinc/37/53/16/170375316.db2.gz ZXFFFVWIXPOJNU-QWHCGFSZSA-N 1 1 228.380 1.731 10 0 BDAEMO CCOCCC[N@H+]1C[C@H](C(C)C)NC[C@@H]1C ZINC000083085235 170375318 /nfs/dbraw/zinc/37/53/18/170375318.db2.gz ZXFFFVWIXPOJNU-QWHCGFSZSA-N 1 1 228.380 1.731 10 0 BDAEMO CCOCC[N@H+](C)[C@]1(CN)CCC[C@H](C)C1 ZINC000050088737 170391874 /nfs/dbraw/zinc/39/18/74/170391874.db2.gz SFYNLARFTKBALT-QWHCGFSZSA-N 1 1 228.380 1.862 10 0 BDAEMO CCOCC[N@@H+](C)[C@]1(CN)CCC[C@H](C)C1 ZINC000050088737 170391875 /nfs/dbraw/zinc/39/18/75/170391875.db2.gz SFYNLARFTKBALT-QWHCGFSZSA-N 1 1 228.380 1.862 10 0 BDAEMO CCOCCN(C)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000050088737 170391876 /nfs/dbraw/zinc/39/18/76/170391876.db2.gz SFYNLARFTKBALT-QWHCGFSZSA-N 1 1 228.380 1.862 10 0 BDAEMO CC(C)[N@H+]1CCCC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616651864 411865312 /nfs/dbraw/zinc/86/53/12/411865312.db2.gz AVRMXWCHMJEAHZ-SNVBAGLBSA-N 1 1 222.336 1.970 10 0 BDAEMO CC(C)(C)[N@H+]1CCC[C@H](c2c[nH]nc2N)C1 ZINC000616618555 411861665 /nfs/dbraw/zinc/86/16/65/411861665.db2.gz ZQIZCOZKYLMSKM-VIFPVBQESA-N 1 1 222.336 1.970 10 0 BDAEMO C[N@H+]1CCO[C@@H](c2ccnc(N)c2)CC1 ZINC000616593116 411895215 /nfs/dbraw/zinc/89/52/15/411895215.db2.gz IAEPEBVZAIQQQZ-SNVBAGLBSA-N 1 1 207.277 1.057 10 0 BDAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000083368696 171101735 /nfs/dbraw/zinc/10/17/35/171101735.db2.gz SRDJDJNEJHUHPQ-RDBSUJKOSA-N 1 1 240.391 1.874 10 0 BDAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000083368696 171101738 /nfs/dbraw/zinc/10/17/38/171101738.db2.gz SRDJDJNEJHUHPQ-RDBSUJKOSA-N 1 1 240.391 1.874 10 0 BDAEMO CC[C@@H]1[C@@H](N)CC[N@@H+]1Cc1ccccc1 ZINC000082380080 171158064 /nfs/dbraw/zinc/15/80/64/171158064.db2.gz WOULTZNLOCKBHN-QWHCGFSZSA-N 1 1 204.317 1.998 10 0 BDAEMO CC[C@@H]1[C@@H](N)CC[N@H+]1Cc1ccccc1 ZINC000082380080 171158067 /nfs/dbraw/zinc/15/80/67/171158067.db2.gz WOULTZNLOCKBHN-QWHCGFSZSA-N 1 1 204.317 1.998 10 0 BDAEMO CC[C@@](C)(O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361426255 171178613 /nfs/dbraw/zinc/17/86/13/171178613.db2.gz MRILVRSJAVKVGE-NXEZZACHSA-N 1 1 237.290 1.097 10 0 BDAEMO CC[C@@](C)(O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000123569785 171178733 /nfs/dbraw/zinc/17/87/33/171178733.db2.gz WQNKWMRQLAPMJR-NWDGAFQWSA-N 1 1 238.335 1.076 10 0 BDAEMO CC[C@H](C)C[NH2+]CC(=O)OC(C)(C)C ZINC000054471448 171284096 /nfs/dbraw/zinc/28/40/96/171284096.db2.gz GJQPPXIQTROPND-VIFPVBQESA-N 1 1 201.310 1.964 10 0 BDAEMO CC[C@H](C)[N@H+](CCOC)Cc1ccc(CN)o1 ZINC000052547302 171315260 /nfs/dbraw/zinc/31/52/60/171315260.db2.gz GNBAYXICEPEGSJ-NSHDSACASA-N 1 1 240.347 1.985 10 0 BDAEMO CC[C@H](C)[N@@H+](CCOC)Cc1ccc(CN)o1 ZINC000052547302 171315261 /nfs/dbraw/zinc/31/52/61/171315261.db2.gz GNBAYXICEPEGSJ-NSHDSACASA-N 1 1 240.347 1.985 10 0 BDAEMO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1c(F)cccc1F ZINC000038064875 171345465 /nfs/dbraw/zinc/34/54/65/171345465.db2.gz MWBSDYGWDXXECN-WRWORJQWSA-N 1 1 242.269 1.879 10 0 BDAEMO CC[C@H]([NH3+])c1nnc(Cc2cccc(O)c2)o1 ZINC000061496775 171493198 /nfs/dbraw/zinc/49/31/98/171493198.db2.gz VGFHKEVBAQXMOV-JTQLQIEISA-N 1 1 233.271 1.776 10 0 BDAEMO CC(C)[C@H]([NH3+])CCNc1ncnc2[nH]cnc21 ZINC000663275930 412405395 /nfs/dbraw/zinc/40/53/95/412405395.db2.gz HDQMSIMKLIAYFV-MRVPVSSYSA-N 1 1 234.307 1.090 10 0 BDAEMO CCc1nc([C@@H]([NH3+])c2cnn(C)c2)sc1C ZINC000041060217 172005084 /nfs/dbraw/zinc/00/50/84/172005084.db2.gz OKVODFGVXJWVSA-JTQLQIEISA-N 1 1 236.344 1.796 10 0 BDAEMO CCc1nc([C@H]([NH3+])c2ccc(OC)cc2)no1 ZINC000036763047 172006961 /nfs/dbraw/zinc/00/69/61/172006961.db2.gz YITDSFDORIOHDH-LLVKDONJSA-N 1 1 233.271 1.689 10 0 BDAEMO CCc1[nH+]ccn1Cc1nccn1CC ZINC000104302685 172026820 /nfs/dbraw/zinc/02/68/20/172026820.db2.gz ZGGTYYQSHRTASI-UHFFFAOYSA-N 1 1 204.277 1.710 10 0 BDAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCO)C1 ZINC000177713338 172029841 /nfs/dbraw/zinc/02/98/41/172029841.db2.gz MTQGJFSFCSFRKE-LLVKDONJSA-N 1 1 223.320 1.075 10 0 BDAEMO CCn1ccnc1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000335596322 172219264 /nfs/dbraw/zinc/21/92/64/172219264.db2.gz LLBZUHXHBJATQT-WDEREUQCSA-N 1 1 223.320 1.248 10 0 BDAEMO CCn1ccnc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000335596322 172219266 /nfs/dbraw/zinc/21/92/66/172219266.db2.gz LLBZUHXHBJATQT-WDEREUQCSA-N 1 1 223.320 1.248 10 0 BDAEMO CCn1ccnc1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000050614402 172227140 /nfs/dbraw/zinc/22/71/40/172227140.db2.gz HBXREEAZAVCBRI-MNOVXSKESA-N 1 1 222.336 1.703 10 0 BDAEMO CCn1nccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000121323698 172266385 /nfs/dbraw/zinc/26/63/85/172266385.db2.gz LLEANAUOKWOUPA-CYBMUJFWSA-N 1 1 248.374 1.573 10 0 BDAEMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484368 172366224 /nfs/dbraw/zinc/36/62/24/172366224.db2.gz QYSIJPQNSXICHT-LLVKDONJSA-N 1 1 236.319 1.025 10 0 BDAEMO CN(C)C(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484368 172366225 /nfs/dbraw/zinc/36/62/25/172366225.db2.gz QYSIJPQNSXICHT-LLVKDONJSA-N 1 1 236.319 1.025 10 0 BDAEMO C[N@@H+](C1CCCC1)[C@@]1(CN)CCSC1 ZINC000037084178 172596525 /nfs/dbraw/zinc/59/65/25/172596525.db2.gz NNFXDQHVBLPBOX-LLVKDONJSA-N 1 1 214.378 1.695 10 0 BDAEMO CN(C1CCCC1)[C@@]1(C[NH3+])CCSC1 ZINC000037084178 172596528 /nfs/dbraw/zinc/59/65/28/172596528.db2.gz NNFXDQHVBLPBOX-LLVKDONJSA-N 1 1 214.378 1.695 10 0 BDAEMO C[N@@H+]([C@@H](CN)C1CCOCC1)C1CCCC1 ZINC000052176898 172596906 /nfs/dbraw/zinc/59/69/06/172596906.db2.gz CLMIQLRUBGYLRZ-ZDUSSCGKSA-N 1 1 226.364 1.615 10 0 BDAEMO C[N@@H+](CCc1cccnc1)CC1CC(O)C1 ZINC000084453952 172787196 /nfs/dbraw/zinc/78/71/96/172787196.db2.gz MTPWGZGORICNSP-UHFFFAOYSA-N 1 1 220.316 1.327 10 0 BDAEMO C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C(C)(C)C(=O)[O-] ZINC000061172362 173007891 /nfs/dbraw/zinc/00/78/91/173007891.db2.gz PCDDVSLACQSNCN-NSHDSACASA-N 1 1 242.363 1.656 10 0 BDAEMO C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C(C)(C)C(=O)[O-] ZINC000061172362 173007893 /nfs/dbraw/zinc/00/78/93/173007893.db2.gz PCDDVSLACQSNCN-NSHDSACASA-N 1 1 242.363 1.656 10 0 BDAEMO C[NH+](CC[C@@H]1CCCC[N@H+]1C)C(C)(C)C(=O)[O-] ZINC000061172362 173007896 /nfs/dbraw/zinc/00/78/96/173007896.db2.gz PCDDVSLACQSNCN-NSHDSACASA-N 1 1 242.363 1.656 10 0 BDAEMO C[N@H+]1CCCC[C@H]1CNCc1ncccn1 ZINC000054459644 173010462 /nfs/dbraw/zinc/01/04/62/173010462.db2.gz WANARAOPZLXMJQ-NSHDSACASA-N 1 1 220.320 1.051 10 0 BDAEMO C[N@H+]1CCC[C@@H](Nc2ccc(N)cn2)C1 ZINC000040715821 173021550 /nfs/dbraw/zinc/02/15/50/173021550.db2.gz WQARKUJKQDUSLI-SNVBAGLBSA-N 1 1 206.293 1.170 10 0 BDAEMO CN1CCC[C@@](C[NH3+])(c2cccs2)C1 ZINC000077304287 173036453 /nfs/dbraw/zinc/03/64/53/173036453.db2.gz SDKKOHVJZKPYEW-NSHDSACASA-N 1 1 210.346 1.670 10 0 BDAEMO C[N@H+]1CCC[C@H](COc2ccccc2N)C1 ZINC000015937400 173040707 /nfs/dbraw/zinc/04/07/07/173040707.db2.gz JKYWVJFGAXQVQD-NSHDSACASA-N 1 1 220.316 1.989 10 0 BDAEMO C[N@H+]1CCC[C@H](Nc2cccc(F)n2)C1 ZINC000040716512 173046755 /nfs/dbraw/zinc/04/67/55/173046755.db2.gz QAPZMZXYYQWZBB-VIFPVBQESA-N 1 1 209.268 1.727 10 0 BDAEMO C[NH+]1CCN(CCCOC(=O)C(C)(C)C)CC1 ZINC000022041239 173079134 /nfs/dbraw/zinc/07/91/34/173079134.db2.gz QHOKRMXBEQYHIO-UHFFFAOYSA-N 1 1 242.363 1.213 10 0 BDAEMO C[NH+]1CCN(CCCc2cccc(N)c2)CC1 ZINC000020192301 173079688 /nfs/dbraw/zinc/07/96/88/173079688.db2.gz CNYWPUUEHDRCDY-UHFFFAOYSA-N 1 1 233.359 1.449 10 0 BDAEMO CN1CCN(C[C@H]([NH3+])c2cccc(F)c2)CC1 ZINC000019270016 173084803 /nfs/dbraw/zinc/08/48/03/173084803.db2.gz PDWWYOGIXUIPLE-ZDUSSCGKSA-N 1 1 237.322 1.073 10 0 BDAEMO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000169310655 173086769 /nfs/dbraw/zinc/08/67/69/173086769.db2.gz NKTZLMJVRYUPBS-AWEZNQCLSA-N 1 1 234.343 1.185 10 0 BDAEMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000169310655 173086770 /nfs/dbraw/zinc/08/67/70/173086770.db2.gz NKTZLMJVRYUPBS-AWEZNQCLSA-N 1 1 234.343 1.185 10 0 BDAEMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000169310655 173086772 /nfs/dbraw/zinc/08/67/72/173086772.db2.gz NKTZLMJVRYUPBS-AWEZNQCLSA-N 1 1 234.343 1.185 10 0 BDAEMO CN1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000019936465 173091992 /nfs/dbraw/zinc/09/19/92/173091992.db2.gz VNBJZMAYOIGXKA-AWEZNQCLSA-N 1 1 233.359 1.324 10 0 BDAEMO C[N@H+]1CC[C@@H](CNCc2cccc3c2OCO3)C1 ZINC000037646643 173114366 /nfs/dbraw/zinc/11/43/66/173114366.db2.gz JVFVGEYRKNZGKL-NSHDSACASA-N 1 1 248.326 1.457 10 0 BDAEMO C[N@H+]1CC[C@@H](Nc2ccc3oc(=O)[nH]c3c2)C1 ZINC000061988499 173126317 /nfs/dbraw/zinc/12/63/17/173126317.db2.gz WBRKKMFWASUACH-SECBINFHSA-N 1 1 233.271 1.237 10 0 BDAEMO C[N@H+]1CC[C@@H](Nc2ccc(N)c3cnccc23)C1 ZINC000042545010 173126351 /nfs/dbraw/zinc/12/63/51/173126351.db2.gz HUQGHHJDNBMUTD-SNVBAGLBSA-N 1 1 242.326 1.933 10 0 BDAEMO CN1CC[C@@](C[NH3+])(Nc2ccccc2)C1 ZINC000082643357 173136841 /nfs/dbraw/zinc/13/68/41/173136841.db2.gz XLBBVWPHPLGKOU-LBPRGKRZSA-N 1 1 205.305 1.132 10 0 BDAEMO CN1CC[C@@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000061990772 173136982 /nfs/dbraw/zinc/13/69/82/173136982.db2.gz PZKBHHSFSBOXNP-AWEZNQCLSA-N 1 1 231.343 1.035 10 0 BDAEMO C[N@H+]1CC[C@H](CNc2cc(Cl)ncn2)C1 ZINC000048631295 173146902 /nfs/dbraw/zinc/14/69/02/173146902.db2.gz FPWPUCYKBCJGFG-MRVPVSSYSA-N 1 1 226.711 1.494 10 0 BDAEMO C[N@H+]1CC[C@H](CNCc2ccccn2)C1 ZINC000037484732 173147787 /nfs/dbraw/zinc/14/77/87/173147787.db2.gz RUEJIICDVRSOHE-LLVKDONJSA-N 1 1 205.305 1.123 10 0 BDAEMO C[N@H+]1CC[C@H](Nc2ccc3c(c2)NC(=O)CO3)C1 ZINC000061984747 173154023 /nfs/dbraw/zinc/15/40/23/173154023.db2.gz RZXQWPQUFIPIQQ-JTQLQIEISA-N 1 1 247.298 1.134 10 0 BDAEMO CN(C)c1ncccc1N[C@H]1CC[N@@H+](C)C1 ZINC000061985873 173155647 /nfs/dbraw/zinc/15/56/47/173155647.db2.gz ISQHIBYHUIDEPS-JTQLQIEISA-N 1 1 220.320 1.264 10 0 BDAEMO C[N@H+]1CC[C@H](Nc2cccnc2Cl)C1 ZINC000061985442 173156150 /nfs/dbraw/zinc/15/61/50/173156150.db2.gz WVQUIIIBOSGKMG-QMMMGPOBSA-N 1 1 211.696 1.851 10 0 BDAEMO C[N@H+]1CC[C@H](n2c(N)cc3ccccc3c2=O)C1 ZINC000042548804 173158311 /nfs/dbraw/zinc/15/83/11/173158311.db2.gz ITJRTEZUFXEFFF-NSHDSACASA-N 1 1 243.310 1.460 10 0 BDAEMO C[N@H+]1CC[C@H]1COc1ccc(Cl)nc1 ZINC000013777659 173159038 /nfs/dbraw/zinc/15/90/38/173159038.db2.gz XWJYFOCRQNJGJO-QMMMGPOBSA-N 1 1 212.680 1.818 10 0 BDAEMO CN(Cc1ccsc1)[C@@]1(C[NH3+])CCN(C)C1 ZINC000061990247 173162183 /nfs/dbraw/zinc/16/21/83/173162183.db2.gz IJIIJJLXXSDULZ-GFCCVEGCSA-N 1 1 239.388 1.213 10 0 BDAEMO C[N@H+]1CC[C@]2(CCCN2c2ccns2)C1 ZINC000038917841 173164637 /nfs/dbraw/zinc/16/46/37/173164637.db2.gz LAGAOLCCTSMPJM-LLVKDONJSA-N 1 1 223.345 1.818 10 0 BDAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1cn[nH]c1)C2 ZINC000038005559 173207241 /nfs/dbraw/zinc/20/72/41/173207241.db2.gz HSXXGNMUEFRIPB-YOGCLGLASA-N 1 1 220.320 1.125 10 0 BDAEMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N)c1C ZINC000042391346 173298567 /nfs/dbraw/zinc/29/85/67/173298567.db2.gz WJPXYPLUWLQXDY-ZDUSSCGKSA-N 1 1 247.342 1.288 10 0 BDAEMO CNC(=O)[C@H](Nc1cc(C)[nH+]c(C)n1)C(C)C ZINC000301788464 173305458 /nfs/dbraw/zinc/30/54/58/173305458.db2.gz PRUGKYIIYSKNGE-LLVKDONJSA-N 1 1 236.319 1.276 10 0 BDAEMO CNC(=S)NCCCCc1[nH]c[nH+]c1C ZINC000008466134 173315849 /nfs/dbraw/zinc/31/58/49/173315849.db2.gz UKUMBWIAJWVEDN-UHFFFAOYSA-N 1 1 226.349 1.135 10 0 in-vitro BDAEMO CNC(=S)NCCCCc1[nH+]c[nH]c1C ZINC000008466134 173315851 /nfs/dbraw/zinc/31/58/51/173315851.db2.gz UKUMBWIAJWVEDN-UHFFFAOYSA-N 1 1 226.349 1.135 10 0 in-vitro BDAEMO C[NH2+]C1CCN([C@H]2CCC[C@H]2OC)CC1 ZINC000050374061 173324297 /nfs/dbraw/zinc/32/42/97/173324297.db2.gz SDTYWGBEXWNHCD-NWDGAFQWSA-N 1 1 212.337 1.238 10 0 BDAEMO C[NH2+]CCCNCc1ccc2cc[nH]c2c1 ZINC000083349124 173350117 /nfs/dbraw/zinc/35/01/17/173350117.db2.gz STMUEYKKNSRZLW-UHFFFAOYSA-N 1 1 217.316 1.867 10 0 BDAEMO C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1Cl ZINC000052788973 173423825 /nfs/dbraw/zinc/42/38/25/173423825.db2.gz CJBPXFXXTFKNMT-JTQLQIEISA-N 1 1 247.747 1.645 10 0 BDAEMO CNc1nc(N)c(-c2ccccc2)c[nH+]1 ZINC000061675300 173487973 /nfs/dbraw/zinc/48/79/73/173487973.db2.gz CNQWTLUIBAFAGC-UHFFFAOYSA-N 1 1 200.245 1.768 10 0 BDAEMO COCCCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000117879021 174192163 /nfs/dbraw/zinc/19/21/63/174192163.db2.gz VZYQGOPVXJRPFW-ZDUSSCGKSA-N 1 1 237.347 1.984 10 0 BDAEMO COCCCC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000117884415 174195017 /nfs/dbraw/zinc/19/50/17/174195017.db2.gz PRDQVMBRIXPPDG-LBPRGKRZSA-N 1 1 237.347 1.636 10 0 BDAEMO COCCC[N@@H+](CCOC)CC(=O)C(C)(C)C ZINC000042423602 174223353 /nfs/dbraw/zinc/22/33/53/174223353.db2.gz RAEUVWIJZTWFGR-UHFFFAOYSA-N 1 1 245.363 1.587 10 0 BDAEMO COCCCN(CCOC)CC[C@@H]1CCC[NH2+]1 ZINC000042425421 174224121 /nfs/dbraw/zinc/22/41/21/174224121.db2.gz FELLZPAHDUPYQE-ZDUSSCGKSA-N 1 1 244.379 1.113 10 0 BDAEMO COCC[N@@H+](C)C[C@@H](O)c1ccc(OC)cc1 ZINC000042256255 174278518 /nfs/dbraw/zinc/27/85/18/174278518.db2.gz FXRBJJOKXZPAEV-CYBMUJFWSA-N 1 1 239.315 1.307 10 0 BDAEMO COCC[N@@H+](CCCCC(C)=O)[C@H](C)COC ZINC000042608806 174291073 /nfs/dbraw/zinc/29/10/73/174291073.db2.gz JQKGJWXGQONMDV-GFCCVEGCSA-N 1 1 245.363 1.729 10 0 BDAEMO COCC[N@@H+](CCn1cc(N)cn1)CC(C)C ZINC000050614826 174297219 /nfs/dbraw/zinc/29/72/19/174297219.db2.gz CBTBDNMUKRZQAM-UHFFFAOYSA-N 1 1 240.351 1.070 10 0 BDAEMO COCCN(Cc1cccc(C(N)=[NH2+])c1)C1CC1 ZINC000042518459 174298625 /nfs/dbraw/zinc/29/86/25/174298625.db2.gz JHGIBTSIDPGKHO-UHFFFAOYSA-N 1 1 247.342 1.581 10 0 BDAEMO COCCN(c1ccc(N)c[nH+]1)[C@@H](C)C1CC1 ZINC000042614681 174302450 /nfs/dbraw/zinc/30/24/50/174302450.db2.gz HBHUXPKVMSPRBQ-JTQLQIEISA-N 1 1 235.331 1.915 10 0 BDAEMO COCC[N@H+]1CC(C)(C)NC[C@@H]1C(C)C ZINC000062571797 174304048 /nfs/dbraw/zinc/30/40/48/174304048.db2.gz OYOMWVWFCRZNNR-LLVKDONJSA-N 1 1 214.353 1.341 10 0 BDAEMO COCCN1CC(C)(C)[NH2+]C[C@@H]1C(C)C ZINC000062571797 174304050 /nfs/dbraw/zinc/30/40/50/174304050.db2.gz OYOMWVWFCRZNNR-LLVKDONJSA-N 1 1 214.353 1.341 10 0 BDAEMO COCCNCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000053342021 174332409 /nfs/dbraw/zinc/33/24/09/174332409.db2.gz YIWIOEZKSZIBNI-UONOGXRCSA-N 1 1 240.391 1.735 10 0 BDAEMO COCCNCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000053342021 174332411 /nfs/dbraw/zinc/33/24/11/174332411.db2.gz YIWIOEZKSZIBNI-UONOGXRCSA-N 1 1 240.391 1.735 10 0 BDAEMO COCCOc1ccc(-c2noc(C[NH3+])n2)cc1 ZINC000098128466 174367543 /nfs/dbraw/zinc/36/75/43/174367543.db2.gz ALXPUUPBDLOKMK-UHFFFAOYSA-N 1 1 249.270 1.221 10 0 BDAEMO COCC[C@@H]([NH3+])CN[C@H]1C[C@@H]1c1ccccc1 ZINC000052810996 174392773 /nfs/dbraw/zinc/39/27/73/174392773.db2.gz FFHFQLJZBXKGCU-MCIONIFRSA-N 1 1 234.343 1.496 10 0 BDAEMO COCC[C@@H](N)C[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000052810996 174392774 /nfs/dbraw/zinc/39/27/74/174392774.db2.gz FFHFQLJZBXKGCU-MCIONIFRSA-N 1 1 234.343 1.496 10 0 BDAEMO COc1cc2[nH+]c(N)ccc2c(OC)c1 ZINC000070055147 175009277 /nfs/dbraw/zinc/00/92/77/175009277.db2.gz JDLWDSDIVPWWCA-UHFFFAOYSA-N 1 1 204.229 1.834 10 0 BDAEMO COc1cc([C@@H]([NH3+])CN)c(Cl)cc1O ZINC000072200926 175014143 /nfs/dbraw/zinc/01/41/43/175014143.db2.gz HYXJBXHFZSRMFK-ZETCQYMHSA-N 1 1 216.668 1.013 10 0 BDAEMO COc1cc2c(cc1C[NH2+]C1COC1)O[C@H](C)C2 ZINC000134866355 175021764 /nfs/dbraw/zinc/02/17/64/175021764.db2.gz HZHUUMSAEIPBOX-SECBINFHSA-N 1 1 249.310 1.507 10 0 BDAEMO COc1ccc(-c2cnc3n2CC[NH2+]C3)cc1 ZINC000082348870 175036784 /nfs/dbraw/zinc/03/67/84/175036784.db2.gz QUCJJVKLDRMMKT-UHFFFAOYSA-N 1 1 229.283 1.662 10 0 BDAEMO COc1ccc(C)cc1C[C@]1(O)CC[N@@H+](C)C1 ZINC000061987050 175076903 /nfs/dbraw/zinc/07/69/03/175076903.db2.gz XDMVLFQILKFJPJ-CQSZACIVSA-N 1 1 235.327 1.613 10 0 BDAEMO Cn1cc([C@@H]2CCC[N@H+]2[C@@H]2CCC[C@H]2O)cn1 ZINC000328212860 487629654 /nfs/dbraw/zinc/62/96/54/487629654.db2.gz KXKKOOLTMMNXTB-YNEHKIRRSA-N 1 1 235.331 1.470 10 0 BDAEMO COc1ccc(CCOC(=O)[C@@H](C)[NH3+])cc1F ZINC000077387387 175092614 /nfs/dbraw/zinc/09/26/14/175092614.db2.gz OFHCHRBLHIZKFD-MRVPVSSYSA-N 1 1 241.262 1.267 10 0 BDAEMO COc1ccc(NCC[NH+]2CCOCC2)cc1 ZINC000020056186 175150940 /nfs/dbraw/zinc/15/09/40/175150940.db2.gz MJYZGCLIFPVUOY-UHFFFAOYSA-N 1 1 236.315 1.439 10 0 BDAEMO COc1ccc(NC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000054239487 175151892 /nfs/dbraw/zinc/15/18/92/175151892.db2.gz ILBHYZDZZYQDKD-NSHDSACASA-N 1 1 235.331 1.844 10 0 BDAEMO COc1ccc([C@H]([NH3+])CN)cc1Br ZINC000038052126 175192240 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206.280 1.429 10 0 BDAEMO [NH3+]CC(F)(F)CN1CC[C@@H](C(F)F)C1 ZINC000685956751 538903976 /nfs/dbraw/zinc/90/39/76/538903976.db2.gz FJATWJKPOQEEMC-ZCFIWIBFSA-N 1 1 214.206 1.167 10 0 BDAEMO CC[NH2+]CC(F)(F)CN(C)CC(C)C ZINC000685957208 538904058 /nfs/dbraw/zinc/90/40/58/538904058.db2.gz VHZDMIFUBTXQHE-UHFFFAOYSA-N 1 1 208.296 1.819 10 0 BDAEMO CC[NH2+]CC(F)(F)COCCOCC ZINC000685957453 538904194 /nfs/dbraw/zinc/90/41/94/538904194.db2.gz RXOBPVOJHRNVDS-UHFFFAOYSA-N 1 1 211.252 1.284 10 0 BDAEMO C[NH2+]CC(F)(F)CN(C)CC(F)(F)F ZINC000685957570 538904886 /nfs/dbraw/zinc/90/48/86/538904886.db2.gz AZIHIRLSWARWCO-UHFFFAOYSA-N 1 1 220.185 1.335 10 0 BDAEMO C[NH2+]CC(F)(F)CN(C)[C@H](C)C1CC1 ZINC000685957695 538904982 /nfs/dbraw/zinc/90/49/82/538904982.db2.gz YDEYDDSVRFOJST-MRVPVSSYSA-N 1 1 206.280 1.571 10 0 BDAEMO C[NH2+]CC(F)(F)CN1CCC(C)(C)C1 ZINC000685957704 538905007 /nfs/dbraw/zinc/90/50/07/538905007.db2.gz YLOKYKCGGGRJIZ-UHFFFAOYSA-N 1 1 206.280 1.573 10 0 BDAEMO C[NH2+]CC(F)(F)CN(C)[C@@H](C)C(C)C ZINC000685957609 538905127 /nfs/dbraw/zinc/90/51/27/538905127.db2.gz CTYNLJOKCJMKEY-VIFPVBQESA-N 1 1 208.296 1.817 10 0 BDAEMO CC[NH2+]CC(F)(F)Cn1cc(Cl)cn1 ZINC000685957508 538905157 /nfs/dbraw/zinc/90/51/57/538905157.db2.gz ZTSBKJYJHONRAC-UHFFFAOYSA-N 1 1 223.654 1.781 10 0 BDAEMO CN(CC(C)(F)F)CC(F)(F)C[NH3+] ZINC000685957670 538905166 /nfs/dbraw/zinc/90/51/66/538905166.db2.gz XLXSKTPUTCUEES-UHFFFAOYSA-N 1 1 202.195 1.167 10 0 BDAEMO CC[NH2+]CC(F)(F)CN1CC[C@@H](F)C1 ZINC000685957947 538905701 /nfs/dbraw/zinc/90/57/01/538905701.db2.gz MEKNVMWMRYXJEH-MRVPVSSYSA-N 1 1 210.243 1.275 10 0 BDAEMO Cc1cc(C)n(Cc2cc[nH+]c(N)c2)n1 ZINC000052732365 177931167 /nfs/dbraw/zinc/93/11/67/177931167.db2.gz LTVSBNSTHLZRJJ-UHFFFAOYSA-N 1 1 202.261 1.525 10 0 BDAEMO CCc1cc(N[C@@H]2C[C@H]2CO)nc(C)[nH+]1 ZINC000309059711 349439231 /nfs/dbraw/zinc/43/92/31/349439231.db2.gz VVHXGESZPOHWFH-WCBMZHEXSA-N 1 1 207.277 1.140 10 0 BDAEMO C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1[C@H]1CCSC1 ZINC000307604388 398179170 /nfs/dbraw/zinc/17/91/70/398179170.db2.gz VZMJSJGRNIJOEC-UTLUCORTSA-N 1 1 200.351 1.304 10 0 BDAEMO C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1[C@H]1CCSC1 ZINC000307604388 398179176 /nfs/dbraw/zinc/17/91/76/398179176.db2.gz VZMJSJGRNIJOEC-UTLUCORTSA-N 1 1 200.351 1.304 10 0 BDAEMO C[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](O)C2)CCS1 ZINC000380122749 398188411 /nfs/dbraw/zinc/18/84/11/398188411.db2.gz VBXJCJZKZPOBBZ-WOPDTQHZSA-N 1 1 229.389 1.975 10 0 BDAEMO CO[C@](C)(C[N@H+]1CCN2CCC[C@H]2C1)C1CC1 ZINC000380192892 398189008 /nfs/dbraw/zinc/18/90/08/398189008.db2.gz QAHNWKQMRWYGEE-UONOGXRCSA-N 1 1 238.375 1.582 10 0 BDAEMO CO[C@](C)(CN1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000380192892 398189011 /nfs/dbraw/zinc/18/90/11/398189011.db2.gz QAHNWKQMRWYGEE-UONOGXRCSA-N 1 1 238.375 1.582 10 0 BDAEMO CO[C@](C)(CN1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000380192892 398189013 /nfs/dbraw/zinc/18/90/13/398189013.db2.gz QAHNWKQMRWYGEE-UONOGXRCSA-N 1 1 238.375 1.582 10 0 BDAEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1CCCN1C ZINC000386362428 398206292 /nfs/dbraw/zinc/20/62/92/398206292.db2.gz WOEFBDWENUALIT-FRRDWIJNSA-N 1 1 226.364 1.173 10 0 BDAEMO CC[N@@H+]1CC[C@@H](N)C12CCSCC2 ZINC000606275694 538929996 /nfs/dbraw/zinc/92/99/96/538929996.db2.gz IZBRBJOWBKCSRV-SECBINFHSA-N 1 1 200.351 1.305 10 0 BDAEMO CC[N@H+]1CC[C@@H](N)C12CCSCC2 ZINC000606275694 538929998 /nfs/dbraw/zinc/92/99/98/538929998.db2.gz IZBRBJOWBKCSRV-SECBINFHSA-N 1 1 200.351 1.305 10 0 BDAEMO CC[N@@H+]1CCO[C@H](c2ccccc2CCO)C1 ZINC000616648142 398221452 /nfs/dbraw/zinc/22/14/52/398221452.db2.gz RYSFCERHCCBCNZ-AWEZNQCLSA-N 1 1 235.327 1.615 10 0 BDAEMO CC[N@H+]1CCO[C@H](c2ccccc2CCO)C1 ZINC000616648142 398221454 /nfs/dbraw/zinc/22/14/54/398221454.db2.gz RYSFCERHCCBCNZ-AWEZNQCLSA-N 1 1 235.327 1.615 10 0 BDAEMO Cc1cc(NN)c2cc3c(cc2[nH+]1)OCCO3 ZINC000051169275 178176890 /nfs/dbraw/zinc/17/68/90/178176890.db2.gz HNYIZXHUKYBMSR-UHFFFAOYSA-N 1 1 231.255 1.600 10 0 BDAEMO CC1(C)C[N@@H+](C[C@H](O)CF)CCS1 ZINC000306641689 361754463 /nfs/dbraw/zinc/75/44/63/361754463.db2.gz QZYAAHRVYOUGIT-MRVPVSSYSA-N 1 1 207.314 1.144 10 0 BDAEMO CC(C)(Cc1ccccc1)[NH+]1CCNCC1 ZINC000071520961 259314685 /nfs/dbraw/zinc/31/46/85/259314685.db2.gz SNJFFIGBJVCSRW-UHFFFAOYSA-N 1 1 218.344 1.913 10 0 BDAEMO CCC(CC)[N@@H+](CCOC)[C@@](C)(C[NH3+])COC ZINC000053198560 168375427 /nfs/dbraw/zinc/37/54/27/168375427.db2.gz SPDVESTWMASUGR-ZDUSSCGKSA-N 1 1 246.395 1.487 10 0 BDAEMO CCC(CC)N(CCOC)[C@@](C)(C[NH3+])COC ZINC000053198560 168375428 /nfs/dbraw/zinc/37/54/28/168375428.db2.gz SPDVESTWMASUGR-ZDUSSCGKSA-N 1 1 246.395 1.487 10 0 BDAEMO CC[N@H+]1CC[C@H](c2ccccc2CO)C1 ZINC000616612937 349606081 /nfs/dbraw/zinc/60/60/81/349606081.db2.gz BQCRZRMFSQWYDD-NSHDSACASA-N 1 1 205.301 1.988 10 0 BDAEMO CC(C)N1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037164674 538961604 /nfs/dbraw/zinc/96/16/04/538961604.db2.gz HAXIJNYYROTBKB-KGLIPLIRSA-N 1 1 240.391 1.752 10 0 BDAEMO CC[N@H+]1CCC[C@H](NCc2cscn2)C1 ZINC000040505597 344002022 /nfs/dbraw/zinc/00/20/22/344002022.db2.gz PSEHPAIRDYNANU-JTQLQIEISA-N 1 1 225.361 1.717 10 0 BDAEMO CCN1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000040505597 344002024 /nfs/dbraw/zinc/00/20/24/344002024.db2.gz PSEHPAIRDYNANU-JTQLQIEISA-N 1 1 225.361 1.717 10 0 BDAEMO CN(C1CCC1)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000143674678 361930225 /nfs/dbraw/zinc/93/02/25/361930225.db2.gz HATBHBIKZPYZQK-NWDGAFQWSA-N 1 1 240.347 1.094 10 0 BDAEMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ccccn2)C1 ZINC000379979751 538983253 /nfs/dbraw/zinc/98/32/53/538983253.db2.gz GSHMIUWWXNBUNW-GHMZBOCLSA-N 1 1 205.305 1.834 10 0 BDAEMO CC[C@@H]1CCC[N@H+]1C[C@@H]1CSCCN1 ZINC000127073000 342835860 /nfs/dbraw/zinc/83/58/60/342835860.db2.gz IUFIHURQADQZBQ-GHMZBOCLSA-N 1 1 214.378 1.566 10 0 BDAEMO CC[C@@H]1CCCN1C[C@@H]1CSCC[NH2+]1 ZINC000127073000 342835861 /nfs/dbraw/zinc/83/58/61/342835861.db2.gz IUFIHURQADQZBQ-GHMZBOCLSA-N 1 1 214.378 1.566 10 0 BDAEMO CC(C)[N@@H+]1C[C@H](NCc2ccon2)[C@@H](C)C1 ZINC000381250230 538997275 /nfs/dbraw/zinc/99/72/75/538997275.db2.gz PEJIJLVRLHITDA-JQWIXIFHSA-N 1 1 223.320 1.493 10 0 BDAEMO CC[N@@H+]1CC[C@@]2(C1)NCCc1occc12 ZINC000709987845 539027707 /nfs/dbraw/zinc/02/77/07/539027707.db2.gz BUMJRYQHKZAEIF-LBPRGKRZSA-N 1 1 206.289 1.346 10 0 BDAEMO CC[N@H+]1CC[C@@]2(C1)NCCc1occc12 ZINC000709987845 539027708 /nfs/dbraw/zinc/02/77/08/539027708.db2.gz BUMJRYQHKZAEIF-LBPRGKRZSA-N 1 1 206.289 1.346 10 0 BDAEMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ncccn2)C1 ZINC000389999740 539019609 /nfs/dbraw/zinc/01/96/09/539019609.db2.gz RYOSZFXKUHRLCQ-NXEZZACHSA-N 1 1 206.293 1.229 10 0 BDAEMO C[C@@H](CC(N)=S)[N@H+]1CCOCC1(C)C ZINC000042462145 362001632 /nfs/dbraw/zinc/00/16/32/362001632.db2.gz JCKFVIZVUBFTSX-QMMMGPOBSA-N 1 1 216.350 1.162 10 0 BDAEMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(N)=S)C1 ZINC000042493134 362002951 /nfs/dbraw/zinc/00/29/51/362002951.db2.gz YFKFYQKVHCDOMS-DTWKUNHWSA-N 1 1 200.351 1.783 10 0 BDAEMO CC(C)COCC[N@H+]1C[C@H](O)CC[C@H]1C ZINC000399170527 398304828 /nfs/dbraw/zinc/30/48/28/398304828.db2.gz OBJFGIHUXPKRFN-VXGBXAGGSA-N 1 1 215.337 1.504 10 0 BDAEMO C[C@@H]1C[N@@H+](C)C[C@]1(O)c1ccc(F)cc1 ZINC000521401565 398305253 /nfs/dbraw/zinc/30/52/53/398305253.db2.gz JBHANHZRXGDCOT-BXKDBHETSA-N 1 1 209.264 1.595 10 0 BDAEMO CC(C)[C@H]1C[N@H+]([C@@H]2CCC[C@H]2O)CCCO1 ZINC000382111330 398305983 /nfs/dbraw/zinc/30/59/83/398305983.db2.gz KORAPYBDYTYOMH-JHJVBQTASA-N 1 1 227.348 1.647 10 0 BDAEMO C[C@@H]([NH3+])[C@@H](C)C[N@H+]1CCOC(C)(C)C1 ZINC000165022494 342869498 /nfs/dbraw/zinc/86/94/98/342869498.db2.gz RKEBDHCDYVMUDJ-VHSXEESVSA-N 1 1 200.326 1.081 10 0 BDAEMO C[C@@H]([NH3+])[C@@H](C)CN1CCOC(C)(C)C1 ZINC000165022494 342869499 /nfs/dbraw/zinc/86/94/99/342869499.db2.gz RKEBDHCDYVMUDJ-VHSXEESVSA-N 1 1 200.326 1.081 10 0 BDAEMO CSC[C@@H](C)Nc1cc(N)nc(C)[nH+]1 ZINC000128327055 346870676 /nfs/dbraw/zinc/87/06/76/346870676.db2.gz KZSCOZUIXAVEBN-ZCFIWIBFSA-N 1 1 212.322 1.531 10 0 BDAEMO COc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000580302256 346875478 /nfs/dbraw/zinc/87/54/78/346875478.db2.gz DARGYVMTVVNNSH-AAEUAGOBSA-N 1 1 249.358 1.568 10 0 BDAEMO CC(C)=CC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105799076 398325414 /nfs/dbraw/zinc/32/54/14/398325414.db2.gz LLQYTGJYLDZPLP-UHFFFAOYSA-N 1 1 246.358 1.955 10 0 BDAEMO CC(=O)N[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000159321558 398341882 /nfs/dbraw/zinc/34/18/82/398341882.db2.gz YQLUEJPNOJOEDS-CYBMUJFWSA-N 1 1 240.347 1.014 10 0 BDAEMO CC(C)CN1c2ccc(F)cc2[C@H]([NH3+])C1=O ZINC000019795650 342958311 /nfs/dbraw/zinc/95/83/11/342958311.db2.gz PTXBYPMRSZZSGV-NSHDSACASA-N 1 1 222.263 1.828 10 0 BDAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000336679264 346900619 /nfs/dbraw/zinc/90/06/19/346900619.db2.gz APVUMHAZRVXSDZ-STQMWFEESA-N 1 1 245.363 1.011 10 0 BDAEMO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ncc[nH]1)CC2 ZINC000247012368 343030762 /nfs/dbraw/zinc/03/07/62/343030762.db2.gz QAFHVVBMQPQGTI-WCQYABFASA-N 1 1 235.331 1.537 10 0 BDAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1ncc[nH]1)CC2 ZINC000247012368 343030764 /nfs/dbraw/zinc/03/07/64/343030764.db2.gz QAFHVVBMQPQGTI-WCQYABFASA-N 1 1 235.331 1.537 10 0 BDAEMO CCCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247073798 343063267 /nfs/dbraw/zinc/06/32/67/343063267.db2.gz HPKDZLCXAPVEOF-VXGBXAGGSA-N 1 1 239.363 1.665 10 0 BDAEMO CNc1c(N)c[nH+]c2c(OC)ccc(C)c12 ZINC000584882506 343085182 /nfs/dbraw/zinc/08/51/82/343085182.db2.gz IVSOCISLRRLLOH-UHFFFAOYSA-N 1 1 217.272 1.598 10 0 BDAEMO CCOC(OCC)C(=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000043504139 343100247 /nfs/dbraw/zinc/10/02/47/343100247.db2.gz AQFSDPWPLBXYQB-LLVKDONJSA-N 1 1 243.347 1.687 10 0 BDAEMO COC(=O)[C@]1(Cc2ccc(C#N)cc2)CCC[NH2+]1 ZINC000145485008 343183298 /nfs/dbraw/zinc/18/32/98/343183298.db2.gz YLSMLCBOPNQMPW-CQSZACIVSA-N 1 1 244.294 1.396 10 0 BDAEMO [NH3+]C[C@H](c1cnc[nH]1)N1CCOc2ccccc21 ZINC000200227777 343274951 /nfs/dbraw/zinc/27/49/51/343274951.db2.gz FMJHMAJJRBJCCT-GFCCVEGCSA-N 1 1 244.298 1.309 10 0 BDAEMO C[C@H]1C[C@H](C)[N@@H+](CCC2CS(=O)(=O)C2)C1 ZINC000335687865 136323625 /nfs/dbraw/zinc/32/36/25/136323625.db2.gz VHLOCTWGFQFAIY-UWVGGRQHSA-N 1 1 231.361 1.151 10 0 BDAEMO CC[N@@H+]1CCC[C@@H](NCc2nccs2)C1 ZINC000082394410 343440623 /nfs/dbraw/zinc/44/06/23/343440623.db2.gz MZIIJGZCLAQAQN-SNVBAGLBSA-N 1 1 225.361 1.717 10 0 BDAEMO CC[N@H+]1CCC[C@@H](NCc2nccs2)C1 ZINC000082394410 343440625 /nfs/dbraw/zinc/44/06/25/343440625.db2.gz MZIIJGZCLAQAQN-SNVBAGLBSA-N 1 1 225.361 1.717 10 0 BDAEMO Cn1cc([C@@]2(C)C[N@@H+](C3CCC3)CCO2)cn1 ZINC000335728356 136347826 /nfs/dbraw/zinc/34/78/26/136347826.db2.gz IHUUMFRVSXQMQS-CYBMUJFWSA-N 1 1 235.331 1.520 10 0 BDAEMO Cn1cc([C@@]2(C)C[N@H+](C3CCC3)CCO2)cn1 ZINC000335728356 136347827 /nfs/dbraw/zinc/34/78/27/136347827.db2.gz IHUUMFRVSXQMQS-CYBMUJFWSA-N 1 1 235.331 1.520 10 0 BDAEMO CCN1CC[N@@H+](C2CCCC2)[C@H](C)C1=O ZINC000335729730 136348150 /nfs/dbraw/zinc/34/81/50/136348150.db2.gz IJTVGPBIGLZDMA-SNVBAGLBSA-N 1 1 210.321 1.482 10 0 BDAEMO CC(C)(C)[N@@H+]1CCNC[C@H]1c1ccccn1 ZINC000616638566 343528888 /nfs/dbraw/zinc/52/88/88/343528888.db2.gz YPBRWHMGPYGTTK-LBPRGKRZSA-N 1 1 219.332 1.826 10 0 BDAEMO CC(C)(C)[N@H+]1CCNC[C@H]1c1ccccn1 ZINC000616638566 343528889 /nfs/dbraw/zinc/52/88/89/343528889.db2.gz YPBRWHMGPYGTTK-LBPRGKRZSA-N 1 1 219.332 1.826 10 0 BDAEMO C[N@H+]1CCCO[C@H](c2cccc(CO)c2)C1 ZINC000616650664 343531022 /nfs/dbraw/zinc/53/10/22/343531022.db2.gz GOLOVIIQZVWCON-ZDUSSCGKSA-N 1 1 221.300 1.572 10 0 BDAEMO CC(C)(C)[N@H+]1CCO[C@H](c2conn2)CC1 ZINC000616665830 343533897 /nfs/dbraw/zinc/53/38/97/343533897.db2.gz ZLLSUHFOOCXEHO-JTQLQIEISA-N 1 1 225.292 1.632 10 0 BDAEMO CCc1nc(N2C[C@H](C)C[C@@H](O)C2)cc(C)[nH+]1 ZINC000401601029 529730436 /nfs/dbraw/zinc/73/04/36/529730436.db2.gz AAMGSBCYCQNTOZ-MWLCHTKSSA-N 1 1 235.331 1.555 10 0 BDAEMO C[C@H]1C[C@@]2(C[N@@H+]1C)NCCc1ccsc12 ZINC000712559656 537792365 /nfs/dbraw/zinc/79/23/65/537792365.db2.gz YGXAGTIZHZIZFN-CABZTGNLSA-N 1 1 222.357 1.813 10 0 BDAEMO C[C@H]1C[C@@]2(C[N@H+]1C)NCCc1ccsc12 ZINC000712559656 537792370 /nfs/dbraw/zinc/79/23/70/537792370.db2.gz YGXAGTIZHZIZFN-CABZTGNLSA-N 1 1 222.357 1.813 10 0 BDAEMO COC1=CC2=CCC[C@@H]3C2=C1C[NH2+][C@H](C)C3=O ZINC000205050155 343613760 /nfs/dbraw/zinc/61/37/60/343613760.db2.gz KBRCDIUULCUJBS-PSASIEDQSA-N 1 1 231.295 1.724 10 0 BDAEMO COC(=O)C[C@H]1C[N@H+]([C@@H](C)C(C)C)CCO1 ZINC000319545563 343629648 /nfs/dbraw/zinc/62/96/48/343629648.db2.gz MYWOLDXVTHUSSX-QWRGUYRKSA-N 1 1 229.320 1.295 10 0 BDAEMO CCc1ccc(-c2nc(C[NH3+])no2)s1 ZINC000043640569 343653026 /nfs/dbraw/zinc/65/30/26/343653026.db2.gz XXVYFSFKSKMUJI-UHFFFAOYSA-N 1 1 209.274 1.819 10 0 BDAEMO CCN(CC)C[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000093650214 537806634 /nfs/dbraw/zinc/80/66/34/537806634.db2.gz XHETVBNCBSLUQV-NSHDSACASA-N 1 1 238.379 1.548 10 0 BDAEMO C[N@H+]1CC[C@@]2(CC(=O)NC2=O)[C@H]1c1ccccc1 ZINC000102132585 343785488 /nfs/dbraw/zinc/78/54/88/343785488.db2.gz LKIWSDNHKKUEMY-TZMCWYRMSA-N 1 1 244.294 1.096 10 0 BDAEMO C[C@H](O)C1CCN(c2[nH+]cccc2N)CC1 ZINC000235575393 343795711 /nfs/dbraw/zinc/79/57/11/343795711.db2.gz SQZWGIHXWIVHCG-VIFPVBQESA-N 1 1 221.304 1.261 10 0 BDAEMO Nc1ccc(N2CC[C@@H]3COC[C@H]3C2)[nH+]c1 ZINC000409426743 343798940 /nfs/dbraw/zinc/79/89/40/343798940.db2.gz IQTOMRQTHHFDBS-NXEZZACHSA-N 1 1 219.288 1.137 10 0 BDAEMO Nc1ccc[nH+]c1N1CCC(F)(F)CC1 ZINC000405013298 343812102 /nfs/dbraw/zinc/81/21/02/343812102.db2.gz GGMWOMKCAMWUAB-UHFFFAOYSA-N 1 1 213.231 1.899 10 0 BDAEMO Nc1ccc(N2C[C@H]3CCC[C@]3(CO)C2)[nH+]c1 ZINC000409425329 343818671 /nfs/dbraw/zinc/81/86/71/343818671.db2.gz AHYBBFVURLRRPO-ZWNOBZJWSA-N 1 1 233.315 1.263 10 0 BDAEMO Nc1ccc[nH+]c1N1CC[C@]2(C1)CCCCO2 ZINC000409432232 343825635 /nfs/dbraw/zinc/82/56/35/343825635.db2.gz UZZBSQOUSGFSAK-ZDUSSCGKSA-N 1 1 233.315 1.813 10 0 BDAEMO Nc1ccc[nH+]c1N1CC[C@@]2(C1)CCCCO2 ZINC000409432231 343825826 /nfs/dbraw/zinc/82/58/26/343825826.db2.gz UZZBSQOUSGFSAK-CYBMUJFWSA-N 1 1 233.315 1.813 10 0 BDAEMO Cc1n[nH]cc1CN1CCC[N@H+](C2CC2)CC1 ZINC000179733715 346995080 /nfs/dbraw/zinc/99/50/80/346995080.db2.gz MJVBUQNGXVOUNV-UHFFFAOYSA-N 1 1 234.347 1.388 10 0 BDAEMO Nc1ccc[nH+]c1N1C[C@@H]2CCC[C@@]2(CO)C1 ZINC000409433011 343828875 /nfs/dbraw/zinc/82/88/75/343828875.db2.gz MCXLUGYVPPCNSX-GWCFXTLKSA-N 1 1 233.315 1.263 10 0 BDAEMO CCC[C@H]1CN(c2[nH+]cccc2N)CC[C@H]1O ZINC000409435165 343832544 /nfs/dbraw/zinc/83/25/44/343832544.db2.gz SSBNENBQLLSLMO-CMPLNLGQSA-N 1 1 235.331 1.651 10 0 BDAEMO Cn1cccc1[C@@H](C(=[NH2+])NO)n1cccc1 ZINC000409437638 343842885 /nfs/dbraw/zinc/84/28/85/343842885.db2.gz AMNMUCMVDOJWJS-JTQLQIEISA-N 1 1 218.260 1.372 10 0 BDAEMO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000625470713 343874687 /nfs/dbraw/zinc/87/46/87/343874687.db2.gz IFUNLJAZODOFTI-RXGFPQBGSA-N 1 1 209.333 1.735 10 0 BDAEMO C[N@H+]1CCSC[C@@H]1[C@@H](O)C1CCCC1 ZINC000234321380 343940901 /nfs/dbraw/zinc/94/09/01/343940901.db2.gz LQPDGXLRCOJFJD-MNOVXSKESA-N 1 1 215.362 1.585 10 0 BDAEMO C[NH2+][C@@H](C)c1nnc([C@@H]2CCCS2)o1 ZINC000070005631 343946026 /nfs/dbraw/zinc/94/60/26/343946026.db2.gz DEYVYWSIVLDLIU-BQBZGAKWSA-N 1 1 213.306 1.918 10 0 BDAEMO COC[C@@H](C)[NH2+]Cc1csc(NC(C)=O)n1 ZINC000393748310 343923526 /nfs/dbraw/zinc/92/35/26/343923526.db2.gz OSERAZZADBWXHB-SSDOTTSWSA-N 1 1 243.332 1.226 10 0 BDAEMO CC[C@@H](O)C[N@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000309283097 347016811 /nfs/dbraw/zinc/01/68/11/347016811.db2.gz UQOJODBCVRJHAG-FRRDWIJNSA-N 1 1 226.364 1.316 10 0 BDAEMO NC(=S)[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC000070661956 343953335 /nfs/dbraw/zinc/95/33/35/343953335.db2.gz IPZOUESOCHYJNB-SECBINFHSA-N 1 1 226.370 1.999 10 0 BDAEMO CCCC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092677487 343961153 /nfs/dbraw/zinc/96/11/53/343961153.db2.gz LSVYLYGNYBWTAK-NSHDSACASA-N 1 1 212.337 1.729 10 0 BDAEMO OC1(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CCC1 ZINC000625773585 344070178 /nfs/dbraw/zinc/07/01/78/344070178.db2.gz LENNVQREUMLRIU-MNOVXSKESA-N 1 1 227.373 1.871 10 0 BDAEMO CCCn1cnnc1[C@@H]1CSCC[NH2+]1 ZINC000126778524 344099178 /nfs/dbraw/zinc/09/91/78/344099178.db2.gz HCTMWHKHLUKIJO-QMMMGPOBSA-N 1 1 212.322 1.066 10 0 BDAEMO O[C@H]1CCC[C@@H](C[N@H+]2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000625853444 344126063 /nfs/dbraw/zinc/12/60/63/344126063.db2.gz JGLTZPYYFBIANO-ZOBORPQBSA-N 1 1 239.359 1.791 10 0 BDAEMO CC[C@@H]1CC[N@H+]([C@]2(CN)CCSC2)C1 ZINC000166002894 344272305 /nfs/dbraw/zinc/27/23/05/344272305.db2.gz OAHFLOUFYOMSIH-MNOVXSKESA-N 1 1 214.378 1.553 10 0 BDAEMO CC(C)CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247495745 344290260 /nfs/dbraw/zinc/29/02/60/344290260.db2.gz UPDVYABCPQIXLA-RYUDHWBXSA-N 1 1 239.363 1.521 10 0 BDAEMO CC[C@@H](O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000044159917 344544077 /nfs/dbraw/zinc/54/40/77/344544077.db2.gz XSLXBDSGVFMBMS-VHSXEESVSA-N 1 1 201.310 1.257 10 0 BDAEMO O[C@@H]1CCC[C@H](C[N@H+]2CCO[C@H](CCF)C2)C1 ZINC000626006388 344665201 /nfs/dbraw/zinc/66/52/01/344665201.db2.gz XIFAQASNVBZLNL-YNEHKIRRSA-N 1 1 245.338 1.598 10 0 BDAEMO O=C1CCC[C@H]1[N@@H+]1CCCC[C@@H]1CCO ZINC000050132815 344646739 /nfs/dbraw/zinc/64/67/39/344646739.db2.gz AMKWBIWVFZYJQK-GHMZBOCLSA-N 1 1 211.305 1.345 10 0 BDAEMO CC1CCC(O)(C[N@H+]2CCCC[C@H]2CO)CC1 ZINC000128070960 344730672 /nfs/dbraw/zinc/73/06/72/344730672.db2.gz URBLUAJXMGQVTM-MOKVOYLWSA-N 1 1 241.375 1.774 10 0 BDAEMO C[C@H]1C[C@H](N2CN=NC2=S)CC[N@H+]1C ZINC000158580543 344683179 /nfs/dbraw/zinc/68/31/79/344683179.db2.gz JQZBSBVJJJJRAB-JGVFFNPUSA-N 1 1 212.322 1.222 10 0 BDAEMO C[C@H](C(N)=S)[N@@H+](CCO)Cc1ccccc1 ZINC000050514396 344704197 /nfs/dbraw/zinc/70/41/97/344704197.db2.gz UGNBPXQPVBDTAM-SNVBAGLBSA-N 1 1 238.356 1.156 10 0 BDAEMO CS[C@H]1CCCC[C@@H]1N1CC[NH2+]CC1 ZINC000235051338 344753924 /nfs/dbraw/zinc/75/39/24/344753924.db2.gz WIXIRZCPYYNCAS-QWRGUYRKSA-N 1 1 214.378 1.566 10 0 BDAEMO Cn1cc(C=O)c(C[NH+]2CCCCCC2)n1 ZINC000675053301 537864462 /nfs/dbraw/zinc/86/44/62/537864462.db2.gz FZNGBPDQAIQPPS-UHFFFAOYSA-N 1 1 221.304 1.609 10 0 BDAEMO C[C@@H]1C[N@@H+]([C@@H]2CCS[C@@H]2C)C[C@@H]1N ZINC000235349507 344890415 /nfs/dbraw/zinc/89/04/15/344890415.db2.gz HMAZSQDLLWSMTC-DOLQZWNJSA-N 1 1 200.351 1.159 10 0 BDAEMO C[C@@H]1C[N@H+]([C@@H]2CCS[C@@H]2C)C[C@@H]1N ZINC000235349507 344890416 /nfs/dbraw/zinc/89/04/16/344890416.db2.gz HMAZSQDLLWSMTC-DOLQZWNJSA-N 1 1 200.351 1.159 10 0 BDAEMO C[C@@H]1CN([C@@H]2CCS[C@@H]2C)C[C@@H]1[NH3+] ZINC000235349507 344890418 /nfs/dbraw/zinc/89/04/18/344890418.db2.gz HMAZSQDLLWSMTC-DOLQZWNJSA-N 1 1 200.351 1.159 10 0 BDAEMO C[C@@]1(O)CC[N@@H+](C[C@@H]2CCCCC2=O)C1 ZINC000235459415 344917593 /nfs/dbraw/zinc/91/75/93/344917593.db2.gz HVDFTFQVBGLVBU-CMPLNLGQSA-N 1 1 211.305 1.202 10 0 BDAEMO C[C@@H]1SCC[C@H]1[N@@H+]1C[C@@H](C)N[C@@H](C)C1 ZINC000235673048 345012057 /nfs/dbraw/zinc/01/20/57/345012057.db2.gz JXCYMKYVAPFGDD-ZRUFSTJUSA-N 1 1 214.378 1.563 10 0 BDAEMO C[C@@H]1SCC[C@H]1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000235673048 345012059 /nfs/dbraw/zinc/01/20/59/345012059.db2.gz JXCYMKYVAPFGDD-ZRUFSTJUSA-N 1 1 214.378 1.563 10 0 BDAEMO COCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000155582570 345089630 /nfs/dbraw/zinc/08/96/30/345089630.db2.gz TWGDMAIXSQQCAE-NEPJUHHUSA-N 1 1 242.363 1.258 10 0 BDAEMO Cc1ncsc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999577 345200103 /nfs/dbraw/zinc/20/01/03/345200103.db2.gz WNLWHCNXMNZYSB-WPRPVWTQSA-N 1 1 225.361 1.478 10 0 BDAEMO CCCCOC[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000300228726 345285091 /nfs/dbraw/zinc/28/50/91/345285091.db2.gz BIZXUEXGZNUUNK-YNEHKIRRSA-N 1 1 229.364 1.894 10 0 BDAEMO CSC[C@@H](C)[N@@H+]1CCNC(C)(C)C1 ZINC000128162285 345369199 /nfs/dbraw/zinc/36/91/99/345369199.db2.gz MVDNUXBHVAYBQG-SECBINFHSA-N 1 1 202.367 1.422 10 0 BDAEMO CSC[C@@H](C)[N@H+]1CCNC(C)(C)C1 ZINC000128162285 345369203 /nfs/dbraw/zinc/36/92/03/345369203.db2.gz MVDNUXBHVAYBQG-SECBINFHSA-N 1 1 202.367 1.422 10 0 BDAEMO COCc1cc(C2=C[C@@H](N)C[NH2+]C2)cs1 ZINC000675077954 537895801 /nfs/dbraw/zinc/89/58/01/537895801.db2.gz KTDNGQPWDKETHX-SNVBAGLBSA-N 1 1 224.329 1.208 10 0 BDAEMO C[C@H](CO)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000159146918 345412990 /nfs/dbraw/zinc/41/29/90/345412990.db2.gz ADESSKDANNKZCA-PWSUYJOCSA-N 1 1 221.300 1.303 10 0 BDAEMO CO[C@H](C)[C@@H](C)[N@@H+]1CCNCC1(C)C ZINC000229407062 345571453 /nfs/dbraw/zinc/57/14/53/345571453.db2.gz SGPTUZMOWPHBON-NXEZZACHSA-N 1 1 200.326 1.094 10 0 BDAEMO CO[C@H](C)[C@@H](C)[N@H+]1CCNCC1(C)C ZINC000229407062 345571455 /nfs/dbraw/zinc/57/14/55/345571455.db2.gz SGPTUZMOWPHBON-NXEZZACHSA-N 1 1 200.326 1.094 10 0 BDAEMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H]1CO ZINC000253605824 345691985 /nfs/dbraw/zinc/69/19/85/345691985.db2.gz CRKTXBIAWCCNQD-MNOVXSKESA-N 1 1 206.289 1.599 10 0 BDAEMO CNc1cc(N2CCCC[C@H]2C[NH3+])nc(C)n1 ZINC000258608335 345785418 /nfs/dbraw/zinc/78/54/18/345785418.db2.gz BULJMIFYDHWSGD-JTQLQIEISA-N 1 1 235.335 1.144 10 0 BDAEMO COC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000166773388 345786923 /nfs/dbraw/zinc/78/69/23/345786923.db2.gz AAUAGDAATQAZCK-ZNSHCXBVSA-N 1 1 213.321 1.914 10 0 BDAEMO COC[C@@H](C)Nc1cc(N)nc(C2CC2)[nH+]1 ZINC000087908989 345940138 /nfs/dbraw/zinc/94/01/38/345940138.db2.gz ZOXQFAZEDRUUBY-SSDOTTSWSA-N 1 1 222.292 1.383 10 0 BDAEMO CCCN(CCC)c1cc(N)nc(C)[nH+]1 ZINC000087806262 345941792 /nfs/dbraw/zinc/94/17/92/345941792.db2.gz DGAMHRVOSQQXLI-UHFFFAOYSA-N 1 1 208.309 1.994 10 0 BDAEMO CNc1cc(N[C@H](C)COC)[nH+]c(C)n1 ZINC000087807800 345941862 /nfs/dbraw/zinc/94/18/62/345941862.db2.gz ZAZWAXFJYVCIME-SSDOTTSWSA-N 1 1 210.281 1.274 10 0 BDAEMO CNc1cc(NCC(F)(F)F)[nH+]c(C)n1 ZINC000087808100 345942217 /nfs/dbraw/zinc/94/22/17/345942217.db2.gz JBKUABIQPNNHNH-UHFFFAOYSA-N 1 1 220.198 1.801 10 0 BDAEMO CC(C)[N@@H+]1CC[C@H](N)[C@]12CCCSC2 ZINC000685952690 537943004 /nfs/dbraw/zinc/94/30/04/537943004.db2.gz CBPPPMBIHPJTRS-WDEREUQCSA-N 1 1 214.378 1.694 10 0 BDAEMO CC(C)[N@H+]1CC[C@H](N)[C@]12CCCSC2 ZINC000685952690 537943007 /nfs/dbraw/zinc/94/30/07/537943007.db2.gz CBPPPMBIHPJTRS-WDEREUQCSA-N 1 1 214.378 1.694 10 0 BDAEMO C[C@@H](CC(N)=S)[N@H+]1CCCO[C@H](C)C1 ZINC000061918540 346179965 /nfs/dbraw/zinc/17/99/65/346179965.db2.gz RSLKXKMPYLYTMX-DTWKUNHWSA-N 1 1 216.350 1.162 10 0 BDAEMO CC(C)CN(CC(F)(F)C[NH3+])C1CC1 ZINC000308595000 537965406 /nfs/dbraw/zinc/96/54/06/537965406.db2.gz YCQPBUGRZIAVIE-UHFFFAOYSA-N 1 1 206.280 1.701 10 0 BDAEMO CCOCCC[N@H+]1CC[C@@H](CCO)C1 ZINC000161611981 346343206 /nfs/dbraw/zinc/34/32/06/346343206.db2.gz ZESYWQQDJIUURU-NSHDSACASA-N 1 1 201.310 1.117 10 0 BDAEMO COC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000675054940 537980606 /nfs/dbraw/zinc/98/06/06/537980606.db2.gz LTYWEBVFZQJOLF-HOSYDEDBSA-N 1 1 227.304 1.097 10 0 BDAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cnn(C)c1 ZINC000105863765 346561218 /nfs/dbraw/zinc/56/12/18/346561218.db2.gz NHFKVDBSILLFEK-ZDUSSCGKSA-N 1 1 236.363 1.336 10 0 BDAEMO CN1CC[N@@H+](C)[C@H](CC(=O)C(C)(C)C)C1 ZINC000149315140 346715809 /nfs/dbraw/zinc/71/58/09/346715809.db2.gz LRENQMXVYHGNJB-SNVBAGLBSA-N 1 1 212.337 1.238 10 0 BDAEMO Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](C)O)C2)n1 ZINC000192984741 179148028 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/nfs/dbraw/zinc/35/22/76/384352276.db2.gz VUVRPMNTMUKYDT-STQMWFEESA-N 1 1 226.364 1.175 10 0 BDAEMO C[C@H]1C[C@H](O)CN(CC[NH+]2CCCCC2)C1 ZINC000335586890 384352283 /nfs/dbraw/zinc/35/22/83/384352283.db2.gz VUVRPMNTMUKYDT-STQMWFEESA-N 1 1 226.364 1.175 10 0 BDAEMO Cc1cnn(CC[N@@H+]2CCC[C@H](O)[C@H]2C)c1 ZINC000335596259 384364193 /nfs/dbraw/zinc/36/41/93/384364193.db2.gz HBOYGFARCFGOBS-NEPJUHHUSA-N 1 1 223.320 1.037 10 0 BDAEMO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068368 384331089 /nfs/dbraw/zinc/33/10/89/384331089.db2.gz QDAHSDNKNJEDRI-WDEREUQCSA-N 1 1 207.321 1.665 10 0 BDAEMO [NH3+]CCN1CC[C@H](c2cn[nH]n2)c2ccccc21 ZINC000616675713 384410945 /nfs/dbraw/zinc/41/09/45/384410945.db2.gz PCVJVEXJLDCFPS-JTQLQIEISA-N 1 1 243.314 1.105 10 0 BDAEMO CC[N@H+]1CCC[C@@H]1CN(C)CCOCC1CC1 ZINC000175343241 384424163 /nfs/dbraw/zinc/42/41/63/384424163.db2.gz CPVNQDFIFOHYJS-CQSZACIVSA-N 1 1 240.391 1.829 10 0 BDAEMO CC[N@H+]1CCC[C@H]1CN(C)CCCOC ZINC000175343776 384424895 /nfs/dbraw/zinc/42/48/95/384424895.db2.gz MAOQKYPANDIDAO-LBPRGKRZSA-N 1 1 214.353 1.439 10 0 BDAEMO CCN1CCC[C@H]1C[N@H+](C)CCCOC ZINC000175343776 384424901 /nfs/dbraw/zinc/42/49/01/384424901.db2.gz MAOQKYPANDIDAO-LBPRGKRZSA-N 1 1 214.353 1.439 10 0 BDAEMO CCN1CCC[C@H]1C[N@@H+](C)CCCOC ZINC000175343776 384424908 /nfs/dbraw/zinc/42/49/08/384424908.db2.gz MAOQKYPANDIDAO-LBPRGKRZSA-N 1 1 214.353 1.439 10 0 BDAEMO COC(=O)/C=C1\CC[N@@H+](Cc2ccccc2)C1 ZINC000095698631 384388209 /nfs/dbraw/zinc/38/82/09/384388209.db2.gz LTSBOWBMEAOMDI-UKTHLTGXSA-N 1 1 231.295 1.992 10 0 BDAEMO Cn1nncc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000135846504 384467916 /nfs/dbraw/zinc/46/79/16/384467916.db2.gz YSGHYYOUDYXEIG-LBPRGKRZSA-N 1 1 244.298 1.429 10 0 BDAEMO CCn1cc(C[N@H+]2C[C@@H](C)C[C@H](O)C2)cn1 ZINC000334746208 384532734 /nfs/dbraw/zinc/53/27/34/384532734.db2.gz PAZYXJNEQMXOCM-JQWIXIFHSA-N 1 1 223.320 1.106 10 0 BDAEMO CCc1nnc(C[N@@H+](C)[C@@H](C)CC)n1C ZINC000170916244 384532978 /nfs/dbraw/zinc/53/29/78/384532978.db2.gz ANDKNNCKGBOLAD-VIFPVBQESA-N 1 1 210.325 1.608 10 0 BDAEMO CCc1nnc(C[N@H+](C)[C@@H](C)CC)n1C ZINC000170916244 384532981 /nfs/dbraw/zinc/53/29/81/384532981.db2.gz ANDKNNCKGBOLAD-VIFPVBQESA-N 1 1 210.325 1.608 10 0 BDAEMO CC[C@@H]1C[N@@H+](CCSC)CCN1CCOC ZINC000171630764 384617416 /nfs/dbraw/zinc/61/74/16/384617416.db2.gz NAWGFYRCIZIUKL-GFCCVEGCSA-N 1 1 246.420 1.392 10 0 BDAEMO CC[C@@H]1CN(CCSC)CC[N@@H+]1CCOC ZINC000171630764 384617418 /nfs/dbraw/zinc/61/74/18/384617418.db2.gz NAWGFYRCIZIUKL-GFCCVEGCSA-N 1 1 246.420 1.392 10 0 BDAEMO CC[C@@H]1CN(CCSC)CC[N@H+]1CCOC ZINC000171630764 384617419 /nfs/dbraw/zinc/61/74/19/384617419.db2.gz NAWGFYRCIZIUKL-GFCCVEGCSA-N 1 1 246.420 1.392 10 0 BDAEMO O=C1NCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000050393869 384621524 /nfs/dbraw/zinc/62/15/24/384621524.db2.gz RMXIQZJQSPMECQ-LLVKDONJSA-N 1 1 240.253 1.333 10 0 BDAEMO Cc1ccc(CCC[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185136101 384685657 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/nfs/dbraw/zinc/89/01/49/384890149.db2.gz VILXUTIRKLWOLQ-JQWIXIFHSA-N 1 1 206.289 1.284 10 0 BDAEMO COC(=O)[C@@]1(C)CCC[N@H+]1CC=C(C)C ZINC000186380515 384839573 /nfs/dbraw/zinc/83/95/73/384839573.db2.gz CEQPMHRCKCIHPC-GFCCVEGCSA-N 1 1 211.305 1.980 10 0 BDAEMO C1CO[C@@H](c2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000072236834 384844432 /nfs/dbraw/zinc/84/44/32/384844432.db2.gz UZDPKYSFCQOLPF-SECBINFHSA-N 1 1 222.292 1.123 10 0 BDAEMO C1CO[C@@H](c2nc(C3CC[NH2+]CC3)n[nH]2)C1 ZINC000072236834 384844436 /nfs/dbraw/zinc/84/44/36/384844436.db2.gz UZDPKYSFCQOLPF-SECBINFHSA-N 1 1 222.292 1.123 10 0 BDAEMO CCC[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000236940330 384852707 /nfs/dbraw/zinc/85/27/07/384852707.db2.gz TVUYPHNCJBVHHC-VXGBXAGGSA-N 1 1 240.347 1.014 10 0 BDAEMO CO[C@@H]1C[C@H](CO)[N@@H+](Cc2ccccc2C)C1 ZINC000310153834 384859869 /nfs/dbraw/zinc/85/98/69/384859869.db2.gz PSSUBKVEFJJQCB-ZIAGYGMSSA-N 1 1 235.327 1.577 10 0 BDAEMO CC(C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909804 384889450 /nfs/dbraw/zinc/88/94/50/384889450.db2.gz CQXMMQFENCFMPG-LBPRGKRZSA-N 1 1 234.347 1.786 10 0 BDAEMO CCOc1ccc(CNC[C@H]2CC[NH2+]C2)cc1 ZINC000258991581 384957543 /nfs/dbraw/zinc/95/75/43/384957543.db2.gz VYGCIENQMBGUAR-ZDUSSCGKSA-N 1 1 234.343 1.784 10 0 BDAEMO Cc1noc(C)c1C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000334747694 384891097 /nfs/dbraw/zinc/89/10/97/384891097.db2.gz VMMSMKNOMGGTCL-GZMMTYOYSA-N 1 1 224.304 1.494 10 0 BDAEMO Cc1nc(N[C@@H]2CCO[C@H]2C)c(C)c(C)[nH+]1 ZINC000301928818 384947378 /nfs/dbraw/zinc/94/73/78/384947378.db2.gz ZTOTZOCHTBVOPL-GXSJLCMTSA-N 1 1 221.304 1.991 10 0 BDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccns1 ZINC000404280983 384964936 /nfs/dbraw/zinc/96/49/36/384964936.db2.gz DYAPSEYCXDBECE-QWRGUYRKSA-N 1 1 237.372 1.812 10 0 BDAEMO CCc1cnc(CN2CC[N@H+]3CCCC[C@@H]3C2)o1 ZINC000226201585 384985204 /nfs/dbraw/zinc/98/52/04/384985204.db2.gz UBLQQJNVCAAXKU-GFCCVEGCSA-N 1 1 249.358 1.907 10 0 BDAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)OC ZINC000152298004 385064528 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/nfs/dbraw/zinc/34/26/75/385342675.db2.gz OGEBPBWKESMVEE-ZDUSSCGKSA-N 1 1 249.358 1.664 10 0 BDAEMO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000131967286 385370038 /nfs/dbraw/zinc/37/00/38/385370038.db2.gz MYVOYUKKRDMWCW-CYBMUJFWSA-N 1 1 245.330 1.789 10 0 BDAEMO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1Cl ZINC000179183336 385448103 /nfs/dbraw/zinc/44/81/03/385448103.db2.gz GRPBPNNEYKLBMO-GHMZBOCLSA-N 1 1 241.718 1.268 10 0 BDAEMO CO[C@H]1C[C@@H](CO)[N@@H+](CCCC(C)(C)C)C1 ZINC000309243213 385497215 /nfs/dbraw/zinc/49/72/15/385497215.db2.gz BGOIZBOPQPLVAW-RYUDHWBXSA-N 1 1 229.364 1.894 10 0 BDAEMO Cn1cc([C@@H]2CC[N@H+](Cc3cscn3)C2)cn1 ZINC000172053172 385544588 /nfs/dbraw/zinc/54/45/88/385544588.db2.gz JLJHBTLUODBBRE-SNVBAGLBSA-N 1 1 248.355 1.866 10 0 BDAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cscn3)C2)cn1 ZINC000172053172 385544591 /nfs/dbraw/zinc/54/45/91/385544591.db2.gz JLJHBTLUODBBRE-SNVBAGLBSA-N 1 1 248.355 1.866 10 0 BDAEMO Cn1nccc1C1CC[NH+](Cc2ccon2)CC1 ZINC000157735638 385520880 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538901306 /nfs/dbraw/zinc/90/13/06/538901306.db2.gz OPSQUMYSVZAQNW-UHFFFAOYSA-N 1 1 206.280 1.716 10 0 BDAEMO C[NH2+]CC(F)(F)CN1CCC(F)(F)C1 ZINC000685955861 538901869 /nfs/dbraw/zinc/90/18/69/538901869.db2.gz FXOGDROBAMRIIW-UHFFFAOYSA-N 1 1 214.206 1.182 10 0 BDAEMO C[C@H]1CCC[C@@H]1N(C)CC(F)(F)C[NH3+] ZINC000685956218 538902125 /nfs/dbraw/zinc/90/21/25/538902125.db2.gz APQCGVLRFSPEDJ-IUCAKERBSA-N 1 1 206.280 1.701 10 0 BDAEMO CN(CC(F)(F)C[NH3+])CC1(C)CCC1 ZINC000685956920 538902660 /nfs/dbraw/zinc/90/26/60/538902660.db2.gz MGRLTKXBEMKJFC-UHFFFAOYSA-N 1 1 206.280 1.702 10 0 BDAEMO C[NH2+]CC(F)(F)COC[C@H](C)C1CC1 ZINC000685956401 538902755 /nfs/dbraw/zinc/90/27/55/538902755.db2.gz CWRBSGOHGDEKSP-QMMMGPOBSA-N 1 1 207.264 1.904 10 0 BDAEMO CN(CC(F)(F)C[NH3+])[C@H]1CCC1(C)C ZINC000685957447 538904549 /nfs/dbraw/zinc/90/45/49/538904549.db2.gz YEDRZAOXRCMASI-QMMMGPOBSA-N 1 1 206.280 1.701 10 0 BDAEMO CCC[NH2+]CC(F)(F)CN1CCCC1 ZINC000685958361 538906156 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CC(C)(C)[N@H+]1CCCOC[C@@H]1CCO ZINC000616645126 351166910 /nfs/dbraw/zinc/16/69/10/351166910.db2.gz GKUUZDGXPYWCQO-JTQLQIEISA-N 1 1 201.310 1.258 10 0 BDAEMO CC(C)(C)[N@H+]1CCCOC[C@@H]1c1cnno1 ZINC000616645285 351167769 /nfs/dbraw/zinc/16/77/69/351167769.db2.gz JHPDYKZOAWYIFT-SECBINFHSA-N 1 1 225.292 1.632 10 0 BDAEMO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1conn1 ZINC000616647380 351173245 /nfs/dbraw/zinc/17/32/45/351173245.db2.gz ZSWXSFCHEVGSSW-SNVBAGLBSA-N 1 1 225.292 1.632 10 0 BDAEMO CC(C)(C)[N@H+]1CCCOC[C@@H]1c1conn1 ZINC000616647380 351173248 /nfs/dbraw/zinc/17/32/48/351173248.db2.gz ZSWXSFCHEVGSSW-SNVBAGLBSA-N 1 1 225.292 1.632 10 0 BDAEMO CC(C)(C)[N@H+]1CCCO[C@H](c2ncc[nH]2)C1 ZINC000616650408 351174785 /nfs/dbraw/zinc/17/47/85/351174785.db2.gz ZWFAVLFSIGEQNT-JTQLQIEISA-N 1 1 223.320 1.972 10 0 BDAEMO CC(C)(C)[N@H+]1CCCO[C@H](c2cnno2)C1 ZINC000616650328 351176755 /nfs/dbraw/zinc/17/67/55/351176755.db2.gz XDGKLPMJZALUGG-JTQLQIEISA-N 1 1 225.292 1.632 10 0 BDAEMO CC(C)[N@H+]1CCCO[C@H](c2ccnnc2)C1 ZINC000616648755 351177053 /nfs/dbraw/zinc/17/70/53/351177053.db2.gz BHNXCSOPFWPFAW-LBPRGKRZSA-N 1 1 221.304 1.648 10 0 BDAEMO CC(C)[N@H+]1CCCO[C@H](c2cc[nH]n2)C1 ZINC000616649858 351180406 /nfs/dbraw/zinc/18/04/06/351180406.db2.gz LYOZHFBHKRBUKA-NSHDSACASA-N 1 1 209.293 1.582 10 0 BDAEMO CC(C)[N@H+]1CCCO[C@@H](c2ncccn2)C1 ZINC000616653910 351194347 /nfs/dbraw/zinc/19/43/47/351194347.db2.gz YXDSWMSBWQMPND-LLVKDONJSA-N 1 1 221.304 1.648 10 0 BDAEMO CC(C)[N@H+]1CCCO[C@@H](c2c[nH]cn2)C1 ZINC000616652729 351186069 /nfs/dbraw/zinc/18/60/69/351186069.db2.gz JHODENDYNJVERU-LLVKDONJSA-N 1 1 209.293 1.582 10 0 BDAEMO CC(C)[N@@H+]1CCCO[C@@H](c2cnc[nH]2)C1 ZINC000616652729 351186071 /nfs/dbraw/zinc/18/60/71/351186071.db2.gz JHODENDYNJVERU-LLVKDONJSA-N 1 1 209.293 1.582 10 0 BDAEMO CC(C)[N@H+]1CCCO[C@@H](c2cnc[nH]2)C1 ZINC000616652729 351186073 /nfs/dbraw/zinc/18/60/73/351186073.db2.gz JHODENDYNJVERU-LLVKDONJSA-N 1 1 209.293 1.582 10 0 BDAEMO CC[N@@H+]1CCNC[C@@H]1c1ccccc1N ZINC000616636780 351128774 /nfs/dbraw/zinc/12/87/74/351128774.db2.gz CPIMLGKRAQEQRG-GFCCVEGCSA-N 1 1 205.305 1.235 10 0 BDAEMO CC[N@H+]1CCNC[C@@H]1c1ccccc1N ZINC000616636780 351128777 /nfs/dbraw/zinc/12/87/77/351128777.db2.gz CPIMLGKRAQEQRG-GFCCVEGCSA-N 1 1 205.305 1.235 10 0 BDAEMO CCOC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000616638368 351138818 /nfs/dbraw/zinc/13/88/18/351138818.db2.gz XYUWCLLQKQBBMH-LLVKDONJSA-N 1 1 235.287 1.184 10 0 BDAEMO OCCN1CC[C@@H](c2[nH]cc[nH+]2)c2ccccc21 ZINC000616671807 351236729 /nfs/dbraw/zinc/23/67/29/351236729.db2.gz HPTCEJZOXNFIBO-GFCCVEGCSA-N 1 1 243.310 1.744 10 0 BDAEMO CC[N@@H+]1CCO[C@@H](c2cccc(CO)c2)C1 ZINC000616676864 351241819 /nfs/dbraw/zinc/24/18/19/351241819.db2.gz NKKKXYFUFUIWCN-CYBMUJFWSA-N 1 1 221.300 1.572 10 0 BDAEMO CC[N@H+]1CCO[C@@H](c2cccc(CO)c2)C1 ZINC000616676864 351241820 /nfs/dbraw/zinc/24/18/20/351241820.db2.gz NKKKXYFUFUIWCN-CYBMUJFWSA-N 1 1 221.300 1.572 10 0 BDAEMO CC(C)(C)[N@H+]1CCO[C@H](c2nc[nH]n2)CC1 ZINC000616686928 351257840 /nfs/dbraw/zinc/25/78/40/351257840.db2.gz LKXZHGBRXQIPBQ-VIFPVBQESA-N 1 1 224.308 1.367 10 0 BDAEMO CC(C)(C)[N@@H+]1CCO[C@H](c2nnc[nH]2)CC1 ZINC000616686928 351257842 /nfs/dbraw/zinc/25/78/42/351257842.db2.gz LKXZHGBRXQIPBQ-VIFPVBQESA-N 1 1 224.308 1.367 10 0 BDAEMO CC(C)(C)[N@H+]1CCO[C@H](c2nnc[nH]2)CC1 ZINC000616686928 351257844 /nfs/dbraw/zinc/25/78/44/351257844.db2.gz LKXZHGBRXQIPBQ-VIFPVBQESA-N 1 1 224.308 1.367 10 0 BDAEMO CC[N@H+]1CCOCC[C@H]1c1cccc(N)n1 ZINC000616657250 351197981 /nfs/dbraw/zinc/19/79/81/351197981.db2.gz TXMSYLNENTYOSZ-NSHDSACASA-N 1 1 221.304 1.447 10 0 BDAEMO OC[C@@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616657654 351198991 /nfs/dbraw/zinc/19/89/91/351198991.db2.gz GKYDIJRABYSAIN-ZDUSSCGKSA-N 1 1 221.300 1.270 10 0 BDAEMO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1ncc[nH]1 ZINC000616656089 351201764 /nfs/dbraw/zinc/20/17/64/351201764.db2.gz ISIFUJZEAWSNMU-JTQLQIEISA-N 1 1 223.320 1.972 10 0 BDAEMO CC(C)(C)[N@H+]1CCOCC[C@H]1c1ncc[nH]1 ZINC000616656089 351201766 /nfs/dbraw/zinc/20/17/66/351201766.db2.gz ISIFUJZEAWSNMU-JTQLQIEISA-N 1 1 223.320 1.972 10 0 BDAEMO CC(=O)N[C@@H]1CCCC[N@H+](C(C)(C)C)C1 ZINC000616656416 351202713 /nfs/dbraw/zinc/20/27/13/351202713.db2.gz XGOGAYSBCXYVRH-LLVKDONJSA-N 1 1 212.337 1.776 10 0 BDAEMO CC(C)(C)[N@H+]1CCOC[C@H](Nc2ccccn2)C1 ZINC000616658470 351204208 /nfs/dbraw/zinc/20/42/08/351204208.db2.gz FWBKNXAJYREDOV-GFCCVEGCSA-N 1 1 249.358 1.993 10 0 BDAEMO CC[N@H+]1CCOC[C@H](c2ccccn2)C1 ZINC000616659521 351207104 /nfs/dbraw/zinc/20/71/04/351207104.db2.gz KOADVTTUMDQKLI-LLVKDONJSA-N 1 1 206.289 1.517 10 0 BDAEMO C[N@H+]1CCOC[C@@H](c2cccc(CCO)c2)C1 ZINC000616659784 351208254 /nfs/dbraw/zinc/20/82/54/351208254.db2.gz FPOUNBAAXYWOAV-AWEZNQCLSA-N 1 1 235.327 1.267 10 0 BDAEMO CC(C)[N@H+]1CCOC[C@H](c2ncccn2)C1 ZINC000616661441 351209905 /nfs/dbraw/zinc/20/99/05/351209905.db2.gz RYDVTTVRQNXQRY-LLVKDONJSA-N 1 1 221.304 1.301 10 0 BDAEMO [NH3+]C[C@@H]1COCCN(Cc2ccccc2)C1 ZINC000616661574 351210495 /nfs/dbraw/zinc/21/04/95/351210495.db2.gz VGJVEPYIBLDQDC-ZDUSSCGKSA-N 1 1 220.316 1.094 10 0 BDAEMO CC[N@H+]1CCOC[C@H](c2ccccc2CCO)C1 ZINC000616660580 351212312 /nfs/dbraw/zinc/21/23/12/351212312.db2.gz NUTQDAMNLKYPDF-CQSZACIVSA-N 1 1 249.354 1.657 10 0 BDAEMO C[N@H+]1CCOC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000616662211 351217608 /nfs/dbraw/zinc/21/76/08/351217608.db2.gz YKMGYTASQKFYLT-JTQLQIEISA-N 1 1 244.335 1.089 10 0 BDAEMO C[N@H+]1CCOC[C@@H](c2cccc(F)c2)C1 ZINC000616662227 351217724 /nfs/dbraw/zinc/21/77/24/351217724.db2.gz YZOUYMGCMJKNLK-NSHDSACASA-N 1 1 209.264 1.871 10 0 BDAEMO COC(=O)[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616664197 351218850 /nfs/dbraw/zinc/21/88/50/351218850.db2.gz WXLNSPDHJSKCOV-CYBMUJFWSA-N 1 1 249.310 1.308 10 0 BDAEMO N[C@@H](CC[NH3+])c1ccc(Cl)c(F)c1 ZINC000306887575 351294512 /nfs/dbraw/zinc/29/45/12/351294512.db2.gz QTVMOHWAHAPHLY-VIFPVBQESA-N 1 1 202.660 1.828 10 0 BDAEMO C[N@@H+](CCN1CN=NC1=S)Cc1ccccc1 ZINC000306890613 351298579 /nfs/dbraw/zinc/29/85/79/351298579.db2.gz ZGULDSVWXLDVRO-UHFFFAOYSA-N 1 1 248.355 1.699 10 0 BDAEMO N[C@H](CC[NH3+])c1ccc(Br)c(F)c1 ZINC000306890962 351303432 /nfs/dbraw/zinc/30/34/32/351303432.db2.gz WDRPELBWEYYSBX-SECBINFHSA-N 1 1 247.111 1.937 10 0 BDAEMO C[C@@H]1[C@H](NN)CC[N@H+]1Cc1ccccc1 ZINC000306960911 351383038 /nfs/dbraw/zinc/38/30/38/351383038.db2.gz ZVCDGSIGHXEENF-ZYHUDNBSSA-N 1 1 205.305 1.113 10 0 BDAEMO BrC1=CCCN(c2[nH]cc[nH+]2)C1 ZINC000404343431 351388714 /nfs/dbraw/zinc/38/87/14/351388714.db2.gz GZXOMBFMLPPGGT-UHFFFAOYSA-N 1 1 228.093 1.899 10 0 BDAEMO [NH3+][C@@H]1CC[C@@H]2CN(C/C=C/Cl)C[C@H]12 ZINC000306979115 351397400 /nfs/dbraw/zinc/39/74/00/351397400.db2.gz ORMROXDLRJQRDM-UIRISSMDSA-N 1 1 200.713 1.408 10 0 BDAEMO COC(=O)Cc1c[nH+]cc(Br)c1N ZINC000307044482 351446202 /nfs/dbraw/zinc/44/62/02/351446202.db2.gz XHPINVJMGUIXJO-UHFFFAOYSA-N 1 1 245.076 1.142 10 0 BDAEMO C[C@H](C(N)=S)[N@H+]1CCSC[C@@H](C)C1 ZINC000307112553 351485825 /nfs/dbraw/zinc/48/58/25/351485825.db2.gz MCLALFMXRMELMG-JGVFFNPUSA-N 1 1 218.391 1.346 10 0 BDAEMO COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)[C@H](F)[C@@H]1CCC[N@H+]21 ZINC000606304423 351563142 /nfs/dbraw/zinc/56/31/42/351563142.db2.gz YPPKYYKSDZTHDT-LVEVGFFFSA-N 1 1 241.306 1.760 10 0 BDAEMO [NH3+]Cc1ncc(Br)cc1O ZINC000300863457 363075057 /nfs/dbraw/zinc/07/50/57/363075057.db2.gz GTPFEHLBOSZTLZ-UHFFFAOYSA-N 1 1 203.039 1.008 10 0 BDAEMO Cc1nn(C)cc1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000307195469 351596257 /nfs/dbraw/zinc/59/62/57/351596257.db2.gz MDPKHBXNQRCZMF-SNVBAGLBSA-N 1 1 209.293 1.285 10 0 BDAEMO C[C@H](CO)C[N@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000252727563 538100966 /nfs/dbraw/zinc/10/09/66/538100966.db2.gz ISNPOGMORXJGBD-YNEHKIRRSA-N 1 1 226.364 1.173 10 0 BDAEMO C[C@H]1CSC[C@]1(CN)[N@@H+](C)C(C)(C)C ZINC000307236935 351724708 /nfs/dbraw/zinc/72/47/08/351724708.db2.gz OEAUVZOOYJIUJT-ONGXEEELSA-N 1 1 216.394 1.797 10 0 BDAEMO CS[C@H]1CC[N@H+](Cc2csc(N)n2)C1 ZINC000307243654 351750010 /nfs/dbraw/zinc/75/00/10/351750010.db2.gz KHPLLGHFQULGAT-QMMMGPOBSA-N 1 1 229.374 1.663 10 0 BDAEMO CS[C@H]1CC[N@@H+](Cc2csc(N)n2)C1 ZINC000307243654 351750012 /nfs/dbraw/zinc/75/00/12/351750012.db2.gz KHPLLGHFQULGAT-QMMMGPOBSA-N 1 1 229.374 1.663 10 0 BDAEMO CC[N@H+]1CC[C@](O)(c2csc(C)n2)C1 ZINC000307250777 351770513 /nfs/dbraw/zinc/77/05/13/351770513.db2.gz PWFVZXIASZNSCJ-SNVBAGLBSA-N 1 1 212.318 1.365 10 0 BDAEMO C[C@H]1CSCC[N@H+](C(C)(C)CN)C1 ZINC000307251572 351772193 /nfs/dbraw/zinc/77/21/93/351772193.db2.gz OHPYLWOFFMNIGN-SECBINFHSA-N 1 1 202.367 1.409 10 0 BDAEMO C[C@H]1CSCCN(C(C)(C)C[NH3+])C1 ZINC000307251572 351772194 /nfs/dbraw/zinc/77/21/94/351772194.db2.gz OHPYLWOFFMNIGN-SECBINFHSA-N 1 1 202.367 1.409 10 0 BDAEMO C[C@@H](N)[C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000307251549 351772412 /nfs/dbraw/zinc/77/24/12/351772412.db2.gz OFOKDSHRSIWMJV-NXEZZACHSA-N 1 1 245.367 1.227 10 0 BDAEMO N[C@H](CC[NH3+])c1ccnc(Br)c1 ZINC000307279673 351835948 /nfs/dbraw/zinc/83/59/48/351835948.db2.gz XOFRNJBFIOTMBU-SSDOTTSWSA-N 1 1 230.109 1.193 10 0 BDAEMO C[C@@H]1CNCC[N@H+]1[C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271985 538103996 /nfs/dbraw/zinc/10/39/96/538103996.db2.gz XNHQVISHWSSWMF-QMVSFRDZSA-N 1 1 236.359 1.238 10 0 BDAEMO CCC[N@H+]1CC[C@@]2(C1)NC[C@@H](C)CS2 ZINC000307553716 352648651 /nfs/dbraw/zinc/64/86/51/352648651.db2.gz LRQBLGFBFGBHGO-GHMZBOCLSA-N 1 1 214.378 1.771 10 0 BDAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCOC[C@H]2O)C1 ZINC000725273290 538104873 /nfs/dbraw/zinc/10/48/73/538104873.db2.gz SQYVXCPZACOMTO-WHOHXGKFSA-N 1 1 213.321 1.114 10 0 BDAEMO CC[C@](C)(C(C)=O)[N@@H+]1CCOCC1(C)C ZINC000307622075 352692506 /nfs/dbraw/zinc/69/25/06/352692506.db2.gz CIGJCKUXURFECX-GFCCVEGCSA-N 1 1 213.321 1.855 10 0 BDAEMO CC[C@](C)(C(C)=O)[N@H+]1CCOCC1(C)C ZINC000307622075 352692507 /nfs/dbraw/zinc/69/25/07/352692507.db2.gz CIGJCKUXURFECX-GFCCVEGCSA-N 1 1 213.321 1.855 10 0 BDAEMO C[C@@H]1COCC[C@]1(CN)[NH2+]Cc1ccccc1 ZINC000307615752 352674184 /nfs/dbraw/zinc/67/41/84/352674184.db2.gz QWLHZIJNGVUXMP-TZMCWYRMSA-N 1 1 234.343 1.530 10 0 BDAEMO [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCCSC2)C1 ZINC000307703572 353046645 /nfs/dbraw/zinc/04/66/45/353046645.db2.gz VTVFSKMXNOBQQC-QWRGUYRKSA-N 1 1 214.378 1.553 10 0 BDAEMO [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCCSC2)C1 ZINC000307703572 353046649 /nfs/dbraw/zinc/04/66/49/353046649.db2.gz VTVFSKMXNOBQQC-QWRGUYRKSA-N 1 1 214.378 1.553 10 0 BDAEMO CCCCOC[C@H](O)C[N@@H+](C)C[C@H](C)OC ZINC000304531637 188076769 /nfs/dbraw/zinc/07/67/69/188076769.db2.gz BTUVKBYWHURXEO-NWDGAFQWSA-N 1 1 233.352 1.131 10 0 BDAEMO C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)C1OCCO1 ZINC000123833457 188083836 /nfs/dbraw/zinc/08/38/36/188083836.db2.gz GGEGEFKDBZBPNW-NWDGAFQWSA-N 1 1 241.331 1.393 10 0 BDAEMO Cc1n[nH]cc1CN[C@@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000038011321 188115665 /nfs/dbraw/zinc/11/56/65/188115665.db2.gz TWXZDQSJPPEGFW-JQWIXIFHSA-N 1 1 236.363 1.538 10 0 BDAEMO COc1ccc(N)cc1CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000104144107 188151048 /nfs/dbraw/zinc/15/10/48/188151048.db2.gz DDJPZHILDQKRFO-NSHDSACASA-N 1 1 249.358 1.413 10 0 BDAEMO COc1ccc(N)cc1C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000104144107 188151050 /nfs/dbraw/zinc/15/10/50/188151050.db2.gz DDJPZHILDQKRFO-NSHDSACASA-N 1 1 249.358 1.413 10 0 BDAEMO COc1ccc(N)cc1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000104144107 188151052 /nfs/dbraw/zinc/15/10/52/188151052.db2.gz DDJPZHILDQKRFO-NSHDSACASA-N 1 1 249.358 1.413 10 0 BDAEMO CC(C)Cc1[nH+]c(C(C)(C)C)n(N)c1N ZINC000052839615 188158105 /nfs/dbraw/zinc/15/81/05/188158105.db2.gz AINHXGZKIABSAJ-UHFFFAOYSA-N 1 1 210.325 1.675 10 0 BDAEMO CCCC[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892958 188160624 /nfs/dbraw/zinc/16/06/24/188160624.db2.gz AIDYHFRIHVMNAF-CYBMUJFWSA-N 1 1 237.347 1.692 10 0 BDAEMO C1C[C@H]2[C@@H](C1)[N@@H+]1CCNC[C@H]3CCC[C@@H]2[C@@H]31 ZINC000169315491 188161449 /nfs/dbraw/zinc/16/14/49/188161449.db2.gz QBXWFBUGZQGGDY-RKQHYHRCSA-N 1 1 220.360 1.859 10 0 BDAEMO C1C[C@H]2[C@@H](C1)[N@H+]1CCNC[C@H]3CCC[C@@H]2[C@@H]31 ZINC000169315491 188161451 /nfs/dbraw/zinc/16/14/51/188161451.db2.gz QBXWFBUGZQGGDY-RKQHYHRCSA-N 1 1 220.360 1.859 10 0 BDAEMO OC[C@H]1CSCC[N@H+]1C1CCCC1 ZINC000335629972 188187979 /nfs/dbraw/zinc/18/79/79/188187979.db2.gz QGYOGQUDCHHSTC-JTQLQIEISA-N 1 1 201.335 1.339 10 0 BDAEMO C[C@H]1SCC[N@@H+](C(C)(C)CN)[C@@H]1C ZINC000132278654 353378359 /nfs/dbraw/zinc/37/83/59/353378359.db2.gz HQSOOBURSONAAK-RKDXNWHRSA-N 1 1 202.367 1.550 10 0 BDAEMO C[C@H]1SCC[N@H+](C(C)(C)CN)[C@@H]1C ZINC000132278654 353378360 /nfs/dbraw/zinc/37/83/60/353378360.db2.gz HQSOOBURSONAAK-RKDXNWHRSA-N 1 1 202.367 1.550 10 0 BDAEMO C[NH2+]CC(=O)c1sncc1Br ZINC000216892365 538116998 /nfs/dbraw/zinc/11/69/98/538116998.db2.gz QTABYLXUMGFZJV-UHFFFAOYSA-N 1 1 235.106 1.308 10 0 BDAEMO O[C@]12CCCC[C@H]1C[N@@H+](CCn1ccnc1)CC2 ZINC000220391762 353838722 /nfs/dbraw/zinc/83/87/22/353838722.db2.gz JTMVGIDWAWFNEJ-KBPBESRZSA-N 1 1 249.358 1.510 10 0 BDAEMO 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/nfs/dbraw/zinc/40/83/69/360408369.db2.gz SCPFXICFKSYCED-JTQLQIEISA-N 1 1 214.378 1.695 10 0 BDAEMO C[C@H]1CSCC[N@@H+]1C1(CN)CCCC1 ZINC000069760723 360408371 /nfs/dbraw/zinc/40/83/71/360408371.db2.gz SCPFXICFKSYCED-JTQLQIEISA-N 1 1 214.378 1.695 10 0 BDAEMO C[C@H]1CSCC[N@H+]1C1(CN)CCCC1 ZINC000069760723 360408373 /nfs/dbraw/zinc/40/83/73/360408373.db2.gz SCPFXICFKSYCED-JTQLQIEISA-N 1 1 214.378 1.695 10 0 BDAEMO C[C@@H]1CC[N@@H+](CC2C[NH2+]C2)CCS1 ZINC000306585834 360484874 /nfs/dbraw/zinc/48/48/74/360484874.db2.gz IFLFREUKJXTYPE-SECBINFHSA-N 1 1 200.351 1.033 10 0 BDAEMO C[C@@H]1CCN(CC2C[NH2+]C2)CCS1 ZINC000306585834 360484875 /nfs/dbraw/zinc/48/48/75/360484875.db2.gz IFLFREUKJXTYPE-SECBINFHSA-N 1 1 200.351 1.033 10 0 BDAEMO Cc1[nH+]cc([C@@H](O)CC(F)(F)F)n1C ZINC000306586154 360486617 /nfs/dbraw/zinc/48/66/17/360486617.db2.gz REKJUMUFNYIBCQ-ZETCQYMHSA-N 1 1 208.183 1.714 10 0 BDAEMO CC(=O)C[C@@H](C)[N@H+]1CCC[C@@]12CCOC2 ZINC000306600844 360528265 /nfs/dbraw/zinc/52/82/65/360528265.db2.gz ACHWTBHIQIKMKQ-PWSUYJOCSA-N 1 1 211.305 1.609 10 0 BDAEMO C[C@@H]1C[N@H+]([C@H]2CCC[C@@H]2O)CCS1 ZINC000226291180 360530323 /nfs/dbraw/zinc/53/03/23/360530323.db2.gz XYVFUAHZDYNIHK-UTLUCORTSA-N 1 1 201.335 1.337 10 0 BDAEMO CC[N@H+]1C[C@H](C)[C@H](Nc2ncccc2F)C1 ZINC000309482210 491149513 /nfs/dbraw/zinc/14/95/13/491149513.db2.gz UFNXUSSXGITWNT-GXSJLCMTSA-N 1 1 223.295 1.973 10 0 BDAEMO NC(=S)CC[N@@H+](CCc1ccccn1)C1CC1 ZINC000042531520 181315671 /nfs/dbraw/zinc/31/56/71/181315671.db2.gz LIOFGGTUYXNQPS-UHFFFAOYSA-N 1 1 249.383 1.765 10 0 BDAEMO [NH3+]C1(CNC[C@@H]2CCCCO2)CCCCC1 ZINC000042825501 181332470 /nfs/dbraw/zinc/33/24/70/181332470.db2.gz HAMMNRJEDFBBLP-LBPRGKRZSA-N 1 1 226.364 1.807 10 0 BDAEMO COC(C)(C)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000306637714 361570326 /nfs/dbraw/zinc/57/03/26/361570326.db2.gz MHCAMXGPVGMHTI-VIFPVBQESA-N 1 1 201.310 1.114 10 0 BDAEMO C[C@@H]1[C@H](O)CCC[N@H+]1CCOCC1CC1 ZINC000448549045 201215065 /nfs/dbraw/zinc/21/50/65/201215065.db2.gz HKBBYOALVVBEPF-ZYHUDNBSSA-N 1 1 213.321 1.258 10 0 BDAEMO Cc1nccn1CCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000448549071 201215497 /nfs/dbraw/zinc/21/54/97/201215497.db2.gz NRIPULNJIKQZBW-AAEUAGOBSA-N 1 1 237.347 1.427 10 0 BDAEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000448549107 201216554 /nfs/dbraw/zinc/21/65/54/201216554.db2.gz XABXSVSPFBUMQA-AGIUHOORSA-N 1 1 226.364 1.316 10 0 BDAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CC[C@@H]1CCCN1C ZINC000448549107 201216558 /nfs/dbraw/zinc/21/65/58/201216558.db2.gz XABXSVSPFBUMQA-AGIUHOORSA-N 1 1 226.364 1.316 10 0 BDAEMO C[C@H]1CC[C@](CN)([NH+]2CCSCC2)C1 ZINC000070644401 361693462 /nfs/dbraw/zinc/69/34/62/361693462.db2.gz QNFJCSZIWXHTKP-QWRGUYRKSA-N 1 1 214.378 1.553 10 0 BDAEMO CC[C@H](C)C[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359391 364079257 /nfs/dbraw/zinc/07/92/57/364079257.db2.gz CTJSPKXEPPLGQS-SRVKXCTJSA-N 1 1 214.353 1.471 10 0 BDAEMO CC[C@H](C)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)CN ZINC000630359391 364079262 /nfs/dbraw/zinc/07/92/62/364079262.db2.gz CTJSPKXEPPLGQS-SRVKXCTJSA-N 1 1 214.353 1.471 10 0 BDAEMO CC[C@H](C)C[N@H+]1C[C@@H](OC)C[C@@]1(C)CN ZINC000630359391 364079269 /nfs/dbraw/zinc/07/92/69/364079269.db2.gz CTJSPKXEPPLGQS-SRVKXCTJSA-N 1 1 214.353 1.471 10 0 BDAEMO C[C@H](CN(C)C)NC1=[NH+][C@@H](C)CS1 ZINC000130674742 364016265 /nfs/dbraw/zinc/01/62/65/364016265.db2.gz QBQVVXDPBZPXOR-SFYZADRCSA-N 1 1 201.339 1.017 10 0 BDAEMO C[C@@H](CN(C)C)NC1=[NH+]C[C@@H](C)CS1 ZINC000130677534 364023810 /nfs/dbraw/zinc/02/38/10/364023810.db2.gz NQZZWCXAQMYTNE-BDAKNGLRSA-N 1 1 215.366 1.265 10 0 BDAEMO C=Cc1ccc([C@H]2CCNC[C@@H]2[NH3+])cc1 ZINC000725241574 541329933 /nfs/dbraw/zinc/32/99/33/541329933.db2.gz ZSGISOJMFBOCIA-OLZOCXBDSA-N 1 1 202.301 1.734 10 0 BDAEMO CO[C@H]1C[N@H+](CC2CC=CC2)[C@@](C)(CN)C1 ZINC000630365431 364083278 /nfs/dbraw/zinc/08/32/78/364083278.db2.gz HXPLHXSZMPNYMF-CHWSQXEVSA-N 1 1 224.348 1.391 10 0 BDAEMO CO[C@H]1C[N@@H+](CC2CC=CC2)[C@@](C)(CN)C1 ZINC000630365431 364083282 /nfs/dbraw/zinc/08/32/82/364083282.db2.gz HXPLHXSZMPNYMF-CHWSQXEVSA-N 1 1 224.348 1.391 10 0 BDAEMO CO[C@@H]1C[N@H+](CC2CC=CC2)[C@@](C)(CN)C1 ZINC000630365433 364083624 /nfs/dbraw/zinc/08/36/24/364083624.db2.gz HXPLHXSZMPNYMF-QWHCGFSZSA-N 1 1 224.348 1.391 10 0 BDAEMO CO[C@@H]1C[N@@H+](CC2CC=CC2)[C@@](C)(CN)C1 ZINC000630365433 364083626 /nfs/dbraw/zinc/08/36/26/364083626.db2.gz HXPLHXSZMPNYMF-QWHCGFSZSA-N 1 1 224.348 1.391 10 0 BDAEMO CC1CC[NH+]([C@H]2C[C@@H](N)C23CCOCC3)CC1 ZINC000725264549 541337531 /nfs/dbraw/zinc/33/75/31/541337531.db2.gz VIBHMFLHLRZEHD-OLZOCXBDSA-N 1 1 238.375 1.615 10 0 BDAEMO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271555 541339500 /nfs/dbraw/zinc/33/95/00/541339500.db2.gz PRHKKQCAWZTYFX-ONYIWYLUSA-N 1 1 239.315 1.095 10 0 BDAEMO NCC1(C[N@@H+]2CCC[C@@H](CO)C2)CCCCC1 ZINC000051206156 181359323 /nfs/dbraw/zinc/35/93/23/181359323.db2.gz UREPYCKCUYUGBG-CYBMUJFWSA-N 1 1 240.391 1.600 10 0 BDAEMO NCC1(C[N@H+]2CCC[C@@H](CO)C2)CCCCC1 ZINC000051206156 181359325 /nfs/dbraw/zinc/35/93/25/181359325.db2.gz UREPYCKCUYUGBG-CYBMUJFWSA-N 1 1 240.391 1.600 10 0 BDAEMO CSC[C@H](C)N(C)CC(F)(F)C[NH3+] ZINC000308337890 541365604 /nfs/dbraw/zinc/36/56/04/541365604.db2.gz PBJDPFLNGUFOJZ-ZETCQYMHSA-N 1 1 212.309 1.264 10 0 BDAEMO CCCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246739330 364608404 /nfs/dbraw/zinc/60/84/04/364608404.db2.gz FZWVBCRGLVUVDB-NWDGAFQWSA-N 1 1 242.363 1.090 10 0 BDAEMO CCn1ccnc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247238234 364621069 /nfs/dbraw/zinc/62/10/69/364621069.db2.gz MYKYBCDUAIIRGF-CHWSQXEVSA-N 1 1 248.374 1.572 10 0 BDAEMO [NH3+]CCCc1nnc(-c2ccccc2F)[nH]1 ZINC000072236598 181386726 /nfs/dbraw/zinc/38/67/26/181386726.db2.gz KDBWCZGTTDPQNZ-UHFFFAOYSA-N 1 1 220.251 1.502 10 0 BDAEMO NCC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000050523585 181397712 /nfs/dbraw/zinc/39/77/12/181397712.db2.gz GLAXMKZXHVVJHU-CQSZACIVSA-N 1 1 230.311 1.422 10 0 BDAEMO Nc1ccc(NCC[NH3+])c2ccncc12 ZINC000052815329 181398173 /nfs/dbraw/zinc/39/81/73/181398173.db2.gz SKCJRHWSXDWJOA-UHFFFAOYSA-N 1 1 202.261 1.188 10 0 BDAEMO [NH3+]CCc1nc(C2(c3ccccc3)CCC2)n[nH]1 ZINC000062782367 181413539 /nfs/dbraw/zinc/41/35/39/181413539.db2.gz SXMVVFFVRMNNAE-UHFFFAOYSA-N 1 1 242.326 1.776 10 0 BDAEMO OCC[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000383024573 367587427 /nfs/dbraw/zinc/58/74/27/367587427.db2.gz HCKCQTFFQIPAFX-SECBINFHSA-N 1 1 219.275 1.736 10 0 BDAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CC[C@H]1CCCO1 ZINC000384728635 367722298 /nfs/dbraw/zinc/72/22/98/367722298.db2.gz ARLYDVVPFGQYPA-UTUOFQBUSA-N 1 1 213.321 1.401 10 0 BDAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000384728636 367722718 /nfs/dbraw/zinc/72/27/18/367722718.db2.gz ARLYDVVPFGQYPA-WOPDTQHZSA-N 1 1 213.321 1.401 10 0 BDAEMO C[C@H]1CNCC[N@@H+]1[C@H]1CCCSC1 ZINC000252980619 368176338 /nfs/dbraw/zinc/17/63/38/368176338.db2.gz NIFNUBHABJXLEC-UWVGGRQHSA-N 1 1 200.351 1.176 10 0 BDAEMO C[C@H]1CNCC[N@H+]1[C@H]1CCCSC1 ZINC000252980619 368176342 /nfs/dbraw/zinc/17/63/42/368176342.db2.gz NIFNUBHABJXLEC-UWVGGRQHSA-N 1 1 200.351 1.176 10 0 BDAEMO C[C@@H]1[NH2+]CC[C@@H]1CN1CCS[C@H](C)C1 ZINC000252982278 368176445 /nfs/dbraw/zinc/17/64/45/368176445.db2.gz VQPCVRMZWCQBNL-OUAUKWLOSA-N 1 1 214.378 1.422 10 0 BDAEMO Cc1cc(C)n(CC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000068783046 368736492 /nfs/dbraw/zinc/73/64/92/368736492.db2.gz MBANVVAXMXRSEN-CHWSQXEVSA-N 1 1 237.347 1.609 10 0 BDAEMO C[C@H]1C[N@@H+](C)CC[C@H]1n1cncc1C=O ZINC000253283896 368912552 /nfs/dbraw/zinc/91/25/52/368912552.db2.gz MKSNORZPQATAPY-GXSJLCMTSA-N 1 1 207.277 1.208 10 0 BDAEMO NC(=O)N1C[C@@H](c2cnc[nH]2)Nc2ccccc21 ZINC000616693465 369115810 /nfs/dbraw/zinc/11/58/10/369115810.db2.gz TXOVYABFJCXQKG-JTQLQIEISA-N 1 1 243.270 1.462 10 0 BDAEMO CC(C)[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108539106 369397255 /nfs/dbraw/zinc/39/72/55/369397255.db2.gz VSRGWJNVNXDWNV-NEPJUHHUSA-N 1 1 241.379 1.672 10 0 BDAEMO CC(=O)N[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000066494826 370584840 /nfs/dbraw/zinc/58/48/40/370584840.db2.gz IWQRMGKXBGYCTB-OLZOCXBDSA-N 1 1 222.332 1.696 10 0 BDAEMO Cn1cnnc1[C@H]1C[N@@H+](C2CCCC2)CCO1 ZINC000328628259 371133071 /nfs/dbraw/zinc/13/30/71/371133071.db2.gz HBYWURHHKSOKJB-LLVKDONJSA-N 1 1 236.319 1.131 10 0 BDAEMO Cn1cnnc1[C@H]1C[N@H+](C2CCCC2)CCO1 ZINC000328628259 371133076 /nfs/dbraw/zinc/13/30/76/371133076.db2.gz HBYWURHHKSOKJB-LLVKDONJSA-N 1 1 236.319 1.131 10 0 BDAEMO [NH3+][C@@H](CO)c1nc2ccc(F)cc2s1 ZINC000082964781 181551457 /nfs/dbraw/zinc/55/14/57/181551457.db2.gz PZBBEAHKGNEFNH-LURJTMIESA-N 1 1 212.249 1.428 10 0 BDAEMO NC(=S)CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227167358 371793546 /nfs/dbraw/zinc/79/35/46/371793546.db2.gz SRUDZJOJQGIJRH-UWVGGRQHSA-N 1 1 212.362 1.927 10 0 BDAEMO C[C@H]1SCC[N@@H+](CC(N)=S)[C@@H]1C ZINC000132409392 371815638 /nfs/dbraw/zinc/81/56/38/371815638.db2.gz AEOTXLCBLJRTSE-RNFRBKRXSA-N 1 1 204.364 1.098 10 0 BDAEMO C[C@H]1NCC[N@@H+](C[Si](C)(C)C)[C@H]1C ZINC000401799141 371821275 /nfs/dbraw/zinc/82/12/75/371821275.db2.gz MDTSCKLKAGOWET-ZJUUUORDSA-N 1 1 200.402 1.546 10 0 BDAEMO Nc1ccc(NCCCn2cccn2)[nH+]c1 ZINC000163712662 372037083 /nfs/dbraw/zinc/03/70/83/372037083.db2.gz VXPVWKLWRLSSEM-UHFFFAOYSA-N 1 1 217.276 1.363 10 0 BDAEMO C[C@@H](CN(C)C)NC1=[NH+][C@H](C)CCS1 ZINC000133740261 372099229 /nfs/dbraw/zinc/09/92/29/372099229.db2.gz NQBBEAXKWZFFAF-BDAKNGLRSA-N 1 1 215.366 1.408 10 0 BDAEMO Clc1nccc(NCCc2[nH]cc[nH+]2)n1 ZINC000229344344 372145639 /nfs/dbraw/zinc/14/56/39/372145639.db2.gz HBNREXZVAYKGJS-UHFFFAOYSA-N 1 1 223.667 1.508 10 0 BDAEMO C[C@H]1C[N@@H+](CC2CCSCC2)CCN1 ZINC000229408112 372150028 /nfs/dbraw/zinc/15/00/28/372150028.db2.gz GSSUOSNNFICFPO-JTQLQIEISA-N 1 1 214.378 1.423 10 0 BDAEMO C[C@H]1CN(CC2CCSCC2)CC[NH2+]1 ZINC000229408112 372150033 /nfs/dbraw/zinc/15/00/33/372150033.db2.gz GSSUOSNNFICFPO-JTQLQIEISA-N 1 1 214.378 1.423 10 0 BDAEMO CCn1cc[nH+]c1N1CCCC2(C1)OCCO2 ZINC000134220534 372182679 /nfs/dbraw/zinc/18/26/79/372182679.db2.gz NDBTXAZTGQLCIS-UHFFFAOYSA-N 1 1 237.303 1.246 10 0 BDAEMO CC(C)[C@@H](C)[NH+]1CCC(NCCO)CC1 ZINC000631862983 372665194 /nfs/dbraw/zinc/66/51/94/372665194.db2.gz VWLFPDQRYUKKSQ-LLVKDONJSA-N 1 1 214.353 1.077 10 0 BDAEMO CCN(CC)[C@@H](C)C[NH2+]Cc1cn[nH]c1 ZINC000380005522 373102539 /nfs/dbraw/zinc/10/25/39/373102539.db2.gz PADUCNVZHQQPLY-JTQLQIEISA-N 1 1 210.325 1.230 10 0 BDAEMO CC[N@@H+]1CCO[C@H](c2cccc(N)c2)C1 ZINC000142595772 373671770 /nfs/dbraw/zinc/67/17/70/373671770.db2.gz QIEHBIRYRKENLW-LBPRGKRZSA-N 1 1 206.289 1.662 10 0 BDAEMO CC[N@H+]1CCO[C@H](c2cccc(N)c2)C1 ZINC000142595772 373671776 /nfs/dbraw/zinc/67/17/76/373671776.db2.gz QIEHBIRYRKENLW-LBPRGKRZSA-N 1 1 206.289 1.662 10 0 BDAEMO Cc1nc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)oc1C ZINC000246758343 374296903 /nfs/dbraw/zinc/29/69/03/374296903.db2.gz ALCUUZUSZBCVEK-ZWNOBZJWSA-N 1 1 249.358 1.960 10 0 BDAEMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]12)c1cccc(O)c1 ZINC000049570560 182336747 /nfs/dbraw/zinc/33/67/47/182336747.db2.gz NULYLEDFIQOJAO-QWHCGFSZSA-N 1 1 246.310 1.359 10 0 BDAEMO OCC(F)(F)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336730369 183035668 /nfs/dbraw/zinc/03/56/68/183035668.db2.gz JXUISARMZXALSE-BDAKNGLRSA-N 1 1 225.254 1.732 10 0 BDAEMO OCC[C@@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307977598 183095340 /nfs/dbraw/zinc/09/53/40/183095340.db2.gz JYSQGADIVDDPKU-DTWKUNHWSA-N 1 1 241.253 1.004 10 0 BDAEMO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367615166 183116222 /nfs/dbraw/zinc/11/62/22/183116222.db2.gz KFWLACBBNQDACY-WCFLWFBJSA-N 1 1 249.358 1.928 10 0 BDAEMO OC[C@@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000085576539 183119800 /nfs/dbraw/zinc/11/98/00/183119800.db2.gz RGADUQARIRPOHW-STQMWFEESA-N 1 1 217.312 1.783 10 0 BDAEMO OC[C@@]1(O)CCC[N@@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000313645156 183136294 /nfs/dbraw/zinc/13/62/94/183136294.db2.gz VFBMNIZMTRAZRD-WDEREUQCSA-N 1 1 249.301 1.241 10 0 BDAEMO OC[C@H]1CCC[N@H+](Cc2ccnc(Cl)n2)C1 ZINC000095078593 183149958 /nfs/dbraw/zinc/14/99/58/183149958.db2.gz CAGBWEBLTJAODN-VIFPVBQESA-N 1 1 241.722 1.334 10 0 BDAEMO OC[C@H]1CCC[N@@H+](Cc2ccnc(Cl)n2)C1 ZINC000095078593 183149960 /nfs/dbraw/zinc/14/99/60/183149960.db2.gz CAGBWEBLTJAODN-VIFPVBQESA-N 1 1 241.722 1.334 10 0 BDAEMO OC[C@H]1CCC[N@@H+]1Cc1ccnc(Cl)n1 ZINC000095078631 183150398 /nfs/dbraw/zinc/15/03/98/183150398.db2.gz CPUZTEDKTGMMGG-SECBINFHSA-N 1 1 227.695 1.087 10 0 BDAEMO OC[C@H]1CCC[N@H+]1Cc1ccnc(Cl)n1 ZINC000095078631 183150399 /nfs/dbraw/zinc/15/03/99/183150399.db2.gz CPUZTEDKTGMMGG-SECBINFHSA-N 1 1 227.695 1.087 10 0 BDAEMO CCC[N@@H+](C)CC(=O)Nc1c(C)cccc1N ZINC000037273343 169075818 /nfs/dbraw/zinc/07/58/18/169075818.db2.gz FYMXZWFRLWEKBA-UHFFFAOYSA-N 1 1 235.331 1.858 10 0 BDAEMO O[C@@]1(Cc2ccc(F)cc2)CC[N@H+](C2CC2)C1 ZINC000061988143 183215817 /nfs/dbraw/zinc/21/58/17/183215817.db2.gz HXAPIXRQBGNSST-CQSZACIVSA-N 1 1 235.302 1.967 10 0 BDAEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCn1ccnc1)CC2 ZINC000160823969 183252647 /nfs/dbraw/zinc/25/26/47/183252647.db2.gz JTMVGIDWAWFNEJ-KGLIPLIRSA-N 1 1 249.358 1.510 10 0 BDAEMO CCC[N@H+](C[C@@H](C)C(=O)OC)[C@@H]1CCCNC1 ZINC000104337493 169171724 /nfs/dbraw/zinc/17/17/24/169171724.db2.gz KTAFGPHUDRZQQT-VXGBXAGGSA-N 1 1 242.363 1.260 10 0 BDAEMO CCC[N@@H+](C[C@@H](C)C(=O)OC)[C@@H]1CCCNC1 ZINC000104337493 169171725 /nfs/dbraw/zinc/17/17/25/169171725.db2.gz KTAFGPHUDRZQQT-VXGBXAGGSA-N 1 1 242.363 1.260 10 0 BDAEMO CCC[N@H+](CCO)[C@@H](CN)c1cccc(C)c1 ZINC000042966969 169167111 /nfs/dbraw/zinc/16/71/11/169167111.db2.gz JDHMNELJFIZSPZ-AWEZNQCLSA-N 1 1 236.359 1.699 10 0 BDAEMO CCC[N@@H+](CCO)[C@@H](CN)c1cccc(C)c1 ZINC000042966969 169167113 /nfs/dbraw/zinc/16/71/13/169167113.db2.gz JDHMNELJFIZSPZ-AWEZNQCLSA-N 1 1 236.359 1.699 10 0 BDAEMO CCC[N@@H+](CCn1cc(N)ccc1=O)CC1CC1 ZINC000036198152 169169960 /nfs/dbraw/zinc/16/99/60/169169960.db2.gz XLIDPNXHTYNEHY-UHFFFAOYSA-N 1 1 249.358 1.553 10 0 BDAEMO CCC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)[O-] ZINC000038022110 169170126 /nfs/dbraw/zinc/17/01/26/169170126.db2.gz GHYOSZFWLOZVQR-LBPRGKRZSA-N 1 1 242.363 1.657 10 0 BDAEMO CCC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)[O-] ZINC000038022110 169170127 /nfs/dbraw/zinc/17/01/27/169170127.db2.gz GHYOSZFWLOZVQR-LBPRGKRZSA-N 1 1 242.363 1.657 10 0 BDAEMO CCC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)[O-] ZINC000038022110 169170128 /nfs/dbraw/zinc/17/01/28/169170128.db2.gz GHYOSZFWLOZVQR-LBPRGKRZSA-N 1 1 242.363 1.657 10 0 BDAEMO CCC[N@H+]1CC[C@H](N2CCOCC2)[C@H](C)C1 ZINC000073654035 169209006 /nfs/dbraw/zinc/20/90/06/169209006.db2.gz LQVMPVBVAUSMQA-OLZOCXBDSA-N 1 1 226.364 1.439 10 0 BDAEMO c1cc2c(cc[nH+]c2[C@@H]2COCCN2)[nH]1 ZINC000089220679 183363291 /nfs/dbraw/zinc/36/32/91/183363291.db2.gz RVLYCYXZROMQAL-JTQLQIEISA-N 1 1 203.245 1.224 10 0 BDAEMO CCC[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000037689500 169255694 /nfs/dbraw/zinc/25/56/94/169255694.db2.gz BGOFCSZSLHVEJR-CHWSQXEVSA-N 1 1 226.364 1.364 10 0 BDAEMO CCC[NH2+]C[C@H](C)CN(CCOC)CCOC ZINC000052571368 169263948 /nfs/dbraw/zinc/26/39/48/169263948.db2.gz ZUXVMVYRSMCFMC-ZDUSSCGKSA-N 1 1 246.395 1.217 10 0 BDAEMO c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CNCCO2)cc1 ZINC000096895850 183399290 /nfs/dbraw/zinc/39/92/90/183399290.db2.gz PSWSKJYQNGHGOU-GJZGRUSLSA-N 1 1 246.354 1.639 10 0 BDAEMO CCC[NH2+][C@@H](c1cn[nH]c1)c1nccn1CC ZINC000062779838 169280275 /nfs/dbraw/zinc/28/02/75/169280275.db2.gz OKLLPLCJXBOTSU-NSHDSACASA-N 1 1 233.319 1.715 10 0 BDAEMO CCCO[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000042422760 169311800 /nfs/dbraw/zinc/31/18/00/169311800.db2.gz KUYPRTTZEVAHGC-ZDUSSCGKSA-N 1 1 226.364 1.629 10 0 BDAEMO CCC[C@@H](C)c1[nH+]c(C2CC2)n(N)c1N ZINC000052838984 169374620 /nfs/dbraw/zinc/37/46/20/169374620.db2.gz GYMHCPOSGRTDPS-SSDOTTSWSA-N 1 1 208.309 1.960 10 0 BDAEMO C[C@@H]1C[N@@H+](CC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000180236248 134328532 /nfs/dbraw/zinc/32/85/32/134328532.db2.gz WDCYBXLMCCXPKX-OLZOCXBDSA-N 1 1 240.391 1.685 10 0 BDAEMO C[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1O ZINC000182165741 134342788 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178373669 /nfs/dbraw/zinc/37/36/69/178373669.db2.gz CWBHVEUATZBRII-CQSZACIVSA-N 1 1 247.338 1.943 10 0 BDAEMO CCC(CC)[N@@H+](CCO)[C@@H]1CCCC[C@@H]1O ZINC000042512570 168374788 /nfs/dbraw/zinc/37/47/88/168374788.db2.gz QHMNQUGCYRIQLZ-OLZOCXBDSA-N 1 1 229.364 1.773 10 0 BDAEMO CN(Cc1ccns1)CC(F)(F)C[NH3+] ZINC000404531117 538955317 /nfs/dbraw/zinc/95/53/17/538955317.db2.gz CUBFREPOXSSSSF-UHFFFAOYSA-N 1 1 221.276 1.169 10 0 BDAEMO C[C@@H]1COC[C@H](C)[N@@H+]1CCC(C)(C)O ZINC000335143060 136233614 /nfs/dbraw/zinc/23/36/14/136233614.db2.gz GJIJWGDRDQKILM-AOOOYVTPSA-N 1 1 201.310 1.257 10 0 BDAEMO Cc1cccc(C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189090157 346857013 /nfs/dbraw/zinc/85/70/13/346857013.db2.gz VDLXHXLNDIMBBQ-GFCCVEGCSA-N 1 1 232.327 1.705 10 0 BDAEMO COc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189100515 346858102 /nfs/dbraw/zinc/85/81/02/346858102.db2.gz NOEZFWOFDYBQCK-LLVKDONJSA-N 1 1 248.326 1.406 10 0 BDAEMO COc1ccc(C[N@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189100515 346858104 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384942431 /nfs/dbraw/zinc/94/24/31/384942431.db2.gz FBSTWIDMSWJCHW-LBPRGKRZSA-N 1 1 236.315 1.179 10 0 BDAEMO Cc1nc(N[C@H]2CCO[C@H]2C)c(C)c(C)[nH+]1 ZINC000301928822 384945749 /nfs/dbraw/zinc/94/57/49/384945749.db2.gz ZTOTZOCHTBVOPL-ONGXEEELSA-N 1 1 221.304 1.991 10 0 BDAEMO CS(=O)(=O)C[C@H]([NH2+]Cc1ccco1)C1CC1 ZINC000279146338 384968212 /nfs/dbraw/zinc/96/82/12/384968212.db2.gz ZQDKBJLORVOQDA-NSHDSACASA-N 1 1 243.328 1.192 10 0 BDAEMO C[C@H]1CSCC[N@H+]1C1CCC(=O)CC1 ZINC000157246300 385122381 /nfs/dbraw/zinc/12/23/81/385122381.db2.gz GRGCRPOPVQUGLA-VIFPVBQESA-N 1 1 213.346 1.935 10 0 BDAEMO Cl/C=C/C[N@H+]1CCC[C@@]12CCOC2 ZINC000306787818 385196865 /nfs/dbraw/zinc/19/68/65/385196865.db2.gz NKDZNAINUBBVCT-FWYAXHSGSA-N 1 1 201.697 1.994 10 0 BDAEMO CCc1nnc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)o1 ZINC000305197268 385202951 /nfs/dbraw/zinc/20/29/51/385202951.db2.gz UMKODKYZYOCMNQ-ZJUUUORDSA-N 1 1 239.319 1.225 10 0 BDAEMO CCc1nnc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)o1 ZINC000305197268 385202964 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/nfs/dbraw/zinc/04/68/04/173046804.db2.gz UBYQNDJRLRSYMO-LURJTMIESA-N 1 1 232.740 1.698 10 0 BDAEMO C[N@H+]1CCC[C@H]1CCn1cc2[nH]cccc-2c1=O ZINC000065369881 173054229 /nfs/dbraw/zinc/05/42/29/173054229.db2.gz SUAISPLKIHGCCI-NSHDSACASA-N 1 1 245.326 1.522 10 0 BDAEMO CN1CCC[C@](C[NH3+])(c2cccs2)C1 ZINC000077304289 173061914 /nfs/dbraw/zinc/06/19/14/173061914.db2.gz SDKKOHVJZKPYEW-LLVKDONJSA-N 1 1 210.346 1.670 10 0 BDAEMO C[NH+]1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000033018975 173067273 /nfs/dbraw/zinc/06/72/73/173067273.db2.gz PZHKEUKNAJJMOU-XQQFMLRXSA-N 1 1 236.359 1.587 10 0 BDAEMO C[NH+]1CCN([C@@H]2CNc3ccccc3C2)CC1 ZINC000037761069 173093513 /nfs/dbraw/zinc/09/35/13/173093513.db2.gz JHQJAZSMCXQVPF-ZDUSSCGKSA-N 1 1 231.343 1.271 10 0 BDAEMO C[NH+]1CCN(c2nc3cc(N)ccc3o2)CC1 ZINC000028713673 173094029 /nfs/dbraw/zinc/09/40/29/173094029.db2.gz WNQZNIZQKLQZOX-UHFFFAOYSA-N 1 1 232.287 1.162 10 0 BDAEMO CN1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000022214495 173095032 /nfs/dbraw/zinc/09/50/32/173095032.db2.gz RUABTXOWOJENAL-CYBMUJFWSA-N 1 1 225.380 1.141 10 0 BDAEMO C[N@H+]1CC[C@@H](C(=O)Nc2ccccc2N)C1 ZINC000037758696 173110068 /nfs/dbraw/zinc/11/00/68/173110068.db2.gz SYLCVFQTXMEDEX-SECBINFHSA-N 1 1 219.288 1.159 10 0 BDAEMO C[N@H+]1CC[C@@H](Nc2ccc(F)cc2N)C1 ZINC000042544869 173125834 /nfs/dbraw/zinc/12/58/34/173125834.db2.gz GLXVVHCOLQAFQW-SECBINFHSA-N 1 1 209.268 1.524 10 0 BDAEMO C[N@H+]1CC[C@H](N[C@@H]2COc3cc(O)ccc32)C1 ZINC000042544651 173154737 /nfs/dbraw/zinc/15/47/37/173154737.db2.gz HMCHJONCILCQRY-JOYOIKCWSA-N 1 1 234.299 1.119 10 0 BDAEMO C[N@H+]1CC[C@]2(CCCN2c2cnccn2)C1 ZINC000038587351 173164547 /nfs/dbraw/zinc/16/45/47/173164547.db2.gz DDXYCPBDMOSPCU-GFCCVEGCSA-N 1 1 218.304 1.151 10 0 BDAEMO C[N@H+]1C[C@@H]2ON=C(c3ccc(O)cc3)[C@@H]2C1 ZINC000169356982 173198083 /nfs/dbraw/zinc/19/80/83/173198083.db2.gz KFBAEGLCRCONKM-MNOVXSKESA-N 1 1 218.256 1.057 10 0 BDAEMO C[N@H+]1[C@@H]2CC[C@H]1CC(CNCc1ncc[nH]1)C2 ZINC000049715608 173207053 /nfs/dbraw/zinc/20/70/53/173207053.db2.gz SIEFFGWZSXJTPN-YOGCLGLASA-N 1 1 234.347 1.372 10 0 BDAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(CNCc1ncc[nH]1)C2 ZINC000049715608 173207057 /nfs/dbraw/zinc/20/70/57/173207057.db2.gz SIEFFGWZSXJTPN-YOGCLGLASA-N 1 1 234.347 1.372 10 0 BDAEMO CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404726 173274121 /nfs/dbraw/zinc/27/41/21/173274121.db2.gz CMTOBYNOVGDEKP-SECBINFHSA-N 1 1 208.261 1.163 10 0 BDAEMO CNC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116404726 173274122 /nfs/dbraw/zinc/27/41/22/173274122.db2.gz CMTOBYNOVGDEKP-SECBINFHSA-N 1 1 208.261 1.163 10 0 BDAEMO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](C)C2)cc1 ZINC000061985211 173311148 /nfs/dbraw/zinc/31/11/48/173311148.db2.gz OIAOOPIUUBJFSL-LBPRGKRZSA-N 1 1 233.315 1.162 10 0 BDAEMO C[NH2+]CCCNCc1cn(C)c2ccccc12 ZINC000057353461 173350050 /nfs/dbraw/zinc/35/00/50/173350050.db2.gz HCYBUWAJUGIVKP-UHFFFAOYSA-N 1 1 231.343 1.877 10 0 BDAEMO C[NH2+]CCCc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000034925772 173350570 /nfs/dbraw/zinc/35/05/70/173350570.db2.gz XGLXOOGALKZFGF-UHFFFAOYSA-N 1 1 231.299 1.934 10 0 BDAEMO C[NH2+]CCCc1nc2ccc(F)cc2[nH]1 ZINC000037439185 173351591 /nfs/dbraw/zinc/35/15/91/173351591.db2.gz DRUCSIOOSCXPDY-UHFFFAOYSA-N 1 1 207.252 1.854 10 0 BDAEMO C[NH2+]C[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000040593343 173379301 /nfs/dbraw/zinc/37/93/01/173379301.db2.gz ITKOVHUSIJWGHZ-LLVKDONJSA-N 1 1 212.337 1.097 10 0 BDAEMO C[NH2+]C[C@H]1CCN(CCc2cccc(OC)c2)C1 ZINC000011892011 173381435 /nfs/dbraw/zinc/38/14/35/173381435.db2.gz DHXOXOLPUZFYBY-CQSZACIVSA-N 1 1 248.370 1.779 10 0 BDAEMO CNCc1cc(C[N@@H+]2CCC[C@@H]2C)on1 ZINC000052375815 173386754 /nfs/dbraw/zinc/38/67/54/173386754.db2.gz XCFQOKHOMVZRJN-VIFPVBQESA-N 1 1 209.293 1.378 10 0 BDAEMO CNCc1cc(C[N@H+]2CCC[C@@H]2C)on1 ZINC000052375815 173386755 /nfs/dbraw/zinc/38/67/55/173386755.db2.gz XCFQOKHOMVZRJN-VIFPVBQESA-N 1 1 209.293 1.378 10 0 BDAEMO C[NH2+]Cc1noc(-c2c(F)cccc2F)n1 ZINC000051848559 173398675 /nfs/dbraw/zinc/39/86/75/173398675.db2.gz WHKKXWAMVOSQBT-UHFFFAOYSA-N 1 1 225.198 1.734 10 0 BDAEMO C[NH2+]Cc1occc1CN1CCCOCC1 ZINC000061935788 173399911 /nfs/dbraw/zinc/39/99/11/173399911.db2.gz JJOZQDYHTDDXHL-UHFFFAOYSA-N 1 1 224.304 1.221 10 0 BDAEMO COC1CCN(C[C@](C)([NH3+])C2CC2)CC1 ZINC000037479233 174028023 /nfs/dbraw/zinc/02/80/23/174028023.db2.gz WLQZTSPLIZPZAX-LBPRGKRZSA-N 1 1 212.337 1.225 10 0 BDAEMO COC1CCN(C[C@@](C)([NH3+])C2CC2)CC1 ZINC000037479232 174028178 /nfs/dbraw/zinc/02/81/78/174028178.db2.gz WLQZTSPLIZPZAX-GFCCVEGCSA-N 1 1 212.337 1.225 10 0 BDAEMO COC1CC[NH+](CC(=O)c2ccn(C)c2)CC1 ZINC000035053543 174028554 /nfs/dbraw/zinc/02/85/54/174028554.db2.gz RQXKHAPPELZZMZ-UHFFFAOYSA-N 1 1 236.315 1.319 10 0 BDAEMO COCCC[N@H+](C)[C@@H](CN)c1ccccc1C ZINC000062029534 174219662 /nfs/dbraw/zinc/21/96/62/174219662.db2.gz UEMXJLIKPUNNBC-AWEZNQCLSA-N 1 1 236.359 1.963 10 0 BDAEMO COCCC[N@@H+](C)[C@@H](CN)c1ccccc1C ZINC000062029534 174219665 /nfs/dbraw/zinc/21/96/65/174219665.db2.gz UEMXJLIKPUNNBC-AWEZNQCLSA-N 1 1 236.359 1.963 10 0 BDAEMO COCCC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116317429 174232907 /nfs/dbraw/zinc/23/29/07/174232907.db2.gz NYYXBOUWQZOZJD-NSHDSACASA-N 1 1 223.320 1.246 10 0 BDAEMO COCCC[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C ZINC000036908254 174251406 /nfs/dbraw/zinc/25/14/06/174251406.db2.gz RUCONMVFPSLODG-WOPDTQHZSA-N 1 1 214.353 1.341 10 0 BDAEMO COCCN(C)c1cc[nH+]c(CNC2CC2)c1 ZINC000051519562 174284295 /nfs/dbraw/zinc/28/42/95/174284295.db2.gz BVYFZJFUHLRGKA-UHFFFAOYSA-N 1 1 235.331 1.416 10 0 BDAEMO COCCN(c1ccc(N)c[nH+]1)[C@H](C)C1CC1 ZINC000042614683 174302318 /nfs/dbraw/zinc/30/23/18/174302318.db2.gz HBHUXPKVMSPRBQ-SNVBAGLBSA-N 1 1 235.331 1.915 10 0 BDAEMO COCC[NH2+]CC(=O)c1cc(F)ccc1OC ZINC000049830453 174332486 /nfs/dbraw/zinc/33/24/86/174332486.db2.gz BUYYFVXRMDPYMM-UHFFFAOYSA-N 1 1 241.262 1.253 10 0 BDAEMO COCC[NH2+]Cc1c[nH]c(-c2cccc(C)n2)n1 ZINC000104162409 174334503 /nfs/dbraw/zinc/33/45/03/174334503.db2.gz HPUIZRMGPKOTNG-UHFFFAOYSA-N 1 1 246.314 1.516 10 0 BDAEMO COc1cc(-c2nnc(C[NH3+])o2)ccc1F ZINC000083352379 174938954 /nfs/dbraw/zinc/93/89/54/174938954.db2.gz SIEMUODQDFQLPI-UHFFFAOYSA-N 1 1 223.207 1.343 10 0 BDAEMO COc1ccc(-c2[nH]c(N)[nH+]c2C)cc1 ZINC000082531875 175040174 /nfs/dbraw/zinc/04/01/74/175040174.db2.gz GWYNVDAUFYRDML-UHFFFAOYSA-N 1 1 203.245 1.976 10 0 BDAEMO COc1ccc(-c2nnc([C@H](C)[NH3+])o2)cc1OC ZINC000011586147 175042075 /nfs/dbraw/zinc/04/20/75/175042075.db2.gz ZOXUSIABERXRLH-ZETCQYMHSA-N 1 1 249.270 1.774 10 0 BDAEMO COc1ccc(CC[NH2+]CCCN(C)C)cc1 ZINC000041582135 175091455 /nfs/dbraw/zinc/09/14/55/175091455.db2.gz DETVYZAWUSQUSA-UHFFFAOYSA-N 1 1 236.359 1.779 10 0 BDAEMO COc1ccc(N)c(NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000063209706 175137369 /nfs/dbraw/zinc/13/73/69/175137369.db2.gz NNEOJZGXIKMIGP-SECBINFHSA-N 1 1 249.314 1.168 10 0 BDAEMO COc1ccc(OC)c(-c2nnc([C@H](C)[NH3+])o2)c1 ZINC000050284370 175163287 /nfs/dbraw/zinc/16/32/87/175163287.db2.gz KAIGBRCENKUHRJ-ZETCQYMHSA-N 1 1 249.270 1.774 10 0 BDAEMO COc1ccc([C@@H]([NH3+])CCN(C)C)cc1OC ZINC000020274084 175178876 /nfs/dbraw/zinc/17/88/76/175178876.db2.gz LHMQBVLUICCJTL-NSHDSACASA-N 1 1 238.331 1.655 10 0 BDAEMO COc1ccc([C@@H]2COCC[NH2+]2)c(OC)c1 ZINC000011803378 175184514 /nfs/dbraw/zinc/18/45/14/175184514.db2.gz KWPGHFXRFCAYBT-NSHDSACASA-N 1 1 223.272 1.365 10 0 BDAEMO COc1ccc2c(c1)CC[C@H](N(C)C)[C@@H]2[NH3+] ZINC000019271425 175210147 /nfs/dbraw/zinc/21/01/47/175210147.db2.gz UWXZZKVMPZWKOL-QWHCGFSZSA-N 1 1 220.316 1.571 10 0 BDAEMO COc1cccc([C@@H]([NH3+])CN)c1Cl ZINC000044472549 175288611 /nfs/dbraw/zinc/28/86/11/175288611.db2.gz MFRDCIXXMZNTMC-ZETCQYMHSA-N 1 1 200.669 1.307 10 0 BDAEMO COc1ccccc1C[C@@H](N)C[NH+](C)C ZINC000071511244 175332700 /nfs/dbraw/zinc/33/27/00/175332700.db2.gz AVIDOSCHSPPFLR-LLVKDONJSA-N 1 1 208.305 1.127 10 0 BDAEMO COc1ccccc1C[C@@]1(O)CC[N@H+](C2CC2)C1 ZINC000061988059 175332993 /nfs/dbraw/zinc/33/29/93/175332993.db2.gz IJJLOAQHIGTBEM-HNNXBMFYSA-N 1 1 247.338 1.837 10 0 BDAEMO C[C@@H](c1cccc(N)c1)N1CC[NH+](C)CC1 ZINC000019730866 176018309 /nfs/dbraw/zinc/01/83/09/176018309.db2.gz CMHMMEFOGWIGIK-NSHDSACASA-N 1 1 219.332 1.577 10 0 BDAEMO C[C@@H](c1ccccc1)[N@@H+]1CCO[C@H](CO)C1 ZINC000086831564 176021262 /nfs/dbraw/zinc/02/12/62/176021262.db2.gz RJQHGUCFGFDJJY-AAEUAGOBSA-N 1 1 221.300 1.441 10 0 BDAEMO C[C@@H](c1ccccc1)[N@H+]1CCO[C@H](CO)C1 ZINC000086831564 176021263 /nfs/dbraw/zinc/02/12/63/176021263.db2.gz RJQHGUCFGFDJJY-AAEUAGOBSA-N 1 1 221.300 1.441 10 0 BDAEMO C[C@@H](c1ccccn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094267495 176028359 /nfs/dbraw/zinc/02/83/59/176028359.db2.gz QVYNFUOFQGFPSG-QWHCGFSZSA-N 1 1 231.343 1.923 10 0 BDAEMO C[C@@H](c1cccnc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252673114 176030165 /nfs/dbraw/zinc/03/01/65/176030165.db2.gz GIPPGNRCMNLCHR-JSGCOSHPSA-N 1 1 231.343 1.923 10 0 BDAEMO C[C@@H](c1nccs1)[N@H+]1CCC[C@@H]1CO ZINC000095089099 176039814 /nfs/dbraw/zinc/03/98/14/176039814.db2.gz BJUALOMMTRPFFF-DTWKUNHWSA-N 1 1 212.318 1.661 10 0 BDAEMO C[C@@H]1CCC[N@@H+]1C[C@H](N)c1ccc2c(c1)OCO2 ZINC000037910653 176109291 /nfs/dbraw/zinc/10/92/91/176109291.db2.gz CKNAXJYUUBZHAQ-PWSUYJOCSA-N 1 1 248.326 1.899 10 0 BDAEMO C[C@@H]1CCC[N@H+]1C[C@H](N)c1ccc2c(c1)OCO2 ZINC000037910653 176109292 /nfs/dbraw/zinc/10/92/92/176109292.db2.gz CKNAXJYUUBZHAQ-PWSUYJOCSA-N 1 1 248.326 1.899 10 0 BDAEMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(N)cc2)C1 ZINC000051324316 176171947 /nfs/dbraw/zinc/17/19/47/176171947.db2.gz KLIJRUHPAWULDJ-MFKMUULPSA-N 1 1 220.316 1.644 10 0 BDAEMO C[C@@H]1CC[N@H+]([C@]2(CN)CCCSC2)C1 ZINC000061590107 176180577 /nfs/dbraw/zinc/18/05/77/176180577.db2.gz INDASXXLYRBKRF-MNOVXSKESA-N 1 1 214.378 1.553 10 0 BDAEMO C[C@@H]1CC[N@H+]([C@H](CN)Cc2ccccc2)C1 ZINC000040717605 176180923 /nfs/dbraw/zinc/18/09/23/176180923.db2.gz KMVNNMKGQNGDMT-OCCSQVGLSA-N 1 1 218.344 1.898 10 0 BDAEMO C[C@@H]1CCN([C@H](C[NH3+])Cc2ccccc2)C1 ZINC000040717605 176180924 /nfs/dbraw/zinc/18/09/24/176180924.db2.gz KMVNNMKGQNGDMT-OCCSQVGLSA-N 1 1 218.344 1.898 10 0 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1.648 10 0 BDAEMO Nc1cc(-c2cccc(Cl)c2)[nH+]c(N)n1 ZINC000044263045 343496714 /nfs/dbraw/zinc/49/67/14/343496714.db2.gz QIHOEPQKNFPIGB-UHFFFAOYSA-N 1 1 220.663 1.961 10 0 BDAEMO CCOC(=O)CC[N@@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000310441450 343496108 /nfs/dbraw/zinc/49/61/08/343496108.db2.gz SMHBPKZJHVVHCZ-RYUDHWBXSA-N 1 1 243.347 1.423 10 0 BDAEMO COC(=O)[C@@H]([NH3+])CSc1ccc(F)cc1 ZINC000045559099 343530859 /nfs/dbraw/zinc/53/08/59/343530859.db2.gz SHUFGWZQVFHFPU-VIFPVBQESA-N 1 1 229.276 1.418 10 0 BDAEMO CC[N@H+]1CCCOC[C@H]1c1cccc(C(N)=O)c1 ZINC000616649996 343531096 /nfs/dbraw/zinc/53/10/96/343531096.db2.gz UALCKMLQAXPGDK-ZDUSSCGKSA-N 1 1 248.326 1.569 10 0 BDAEMO CN(C)[C@H]1C[N@H+](C(C)(C)C)CCCO1 ZINC000616653683 343531831 /nfs/dbraw/zinc/53/18/31/343531831.db2.gz UKCCZKLNNITMEU-SNVBAGLBSA-N 1 1 200.326 1.395 10 0 BDAEMO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 ZINC000319758743 343665826 /nfs/dbraw/zinc/66/58/26/343665826.db2.gz ZYSOKQSUNKMEFL-WDEREUQCSA-N 1 1 213.321 1.916 10 0 BDAEMO 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CC[C@](C)(CN)[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000221977274 349879919 /nfs/dbraw/zinc/87/99/19/349879919.db2.gz ARJOZHQLOALTMG-GARJFASQSA-N 1 1 216.394 1.940 10 0 BDAEMO CC[C@](C)(CN)[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000221977274 349879921 /nfs/dbraw/zinc/87/99/21/349879921.db2.gz ARJOZHQLOALTMG-GARJFASQSA-N 1 1 216.394 1.940 10 0 BDAEMO COC[C@@H]1C[N@@H+](CCO)CC12CCCCC2 ZINC000409435743 343840052 /nfs/dbraw/zinc/84/00/52/343840052.db2.gz WJJWDZSGXHEWOY-LBPRGKRZSA-N 1 1 227.348 1.507 10 0 BDAEMO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000625470707 343874612 /nfs/dbraw/zinc/87/46/12/343874612.db2.gz IFUNLJAZODOFTI-FHUSYTEZSA-N 1 1 209.333 1.735 10 0 BDAEMO C[NH2+]C[C@@H]1CC[N@H+](C2CCSCC2)C1 ZINC000070798746 343955857 /nfs/dbraw/zinc/95/58/57/343955857.db2.gz PJJRKOUAINJPLD-JTQLQIEISA-N 1 1 214.378 1.423 10 0 BDAEMO CN(C[C@H]1CC[N@@H+](C)C1)c1nsnc1Cl ZINC000070823759 343956451 /nfs/dbraw/zinc/95/64/51/343956451.db2.gz AZMFEYSNXIIAPC-ZETCQYMHSA-N 1 1 246.767 1.579 10 0 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CC(C)C(=O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000127786395 344651376 /nfs/dbraw/zinc/65/13/76/344651376.db2.gz SVHDYOZQMLIFLA-PHIMTYICSA-N 1 1 212.337 1.236 10 0 BDAEMO CC(C)C(=O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000127786395 344651379 /nfs/dbraw/zinc/65/13/79/344651379.db2.gz SVHDYOZQMLIFLA-PHIMTYICSA-N 1 1 212.337 1.236 10 0 BDAEMO CSC1(C[N@H+]2C[C@H](C)NC[C@@H]2C)CC1 ZINC000235063763 344760140 /nfs/dbraw/zinc/76/01/40/344760140.db2.gz XBLARNYUKRTPEY-UWVGGRQHSA-N 1 1 214.378 1.564 10 0 BDAEMO CSC1(CN2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000235063763 344760141 /nfs/dbraw/zinc/76/01/41/344760141.db2.gz XBLARNYUKRTPEY-UWVGGRQHSA-N 1 1 214.378 1.564 10 0 BDAEMO C[C@@H]1C[N@@H+](C)CCN1c1cnnc(Cl)c1 ZINC000235318910 344881632 /nfs/dbraw/zinc/88/16/32/344881632.db2.gz HQYRCTCUYPJKJS-MRVPVSSYSA-N 1 1 226.711 1.270 10 0 BDAEMO C[C@@H]1CN([C@@H]2CCCSC2)C[C@@H]1[NH3+] ZINC000235347379 344889652 /nfs/dbraw/zinc/88/96/52/344889652.db2.gz NMHZBGBOMZIEPC-BBBLOLIVSA-N 1 1 200.351 1.161 10 0 BDAEMO 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CO[C@@H]1C[C@H](CO)[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000310109538 384843329 /nfs/dbraw/zinc/84/33/29/384843329.db2.gz DXRKLVKSSAZNTC-GRYCIOLGSA-N 1 1 243.347 1.026 10 0 BDAEMO CCN(CC)CC[NH2+]Cc1scnc1C ZINC000084149127 384843674 /nfs/dbraw/zinc/84/36/74/384843674.db2.gz ICUKCWUZNLQDGB-UHFFFAOYSA-N 1 1 227.377 1.883 10 0 BDAEMO [NH3+]Cc1noc(C(F)(F)C(F)(F)F)n1 ZINC000156771779 384954497 /nfs/dbraw/zinc/95/44/97/384954497.db2.gz DNCNSFYEVAAOJM-UHFFFAOYSA-N 1 1 217.097 1.182 10 0 BDAEMO COC[C@@H](C)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000086929339 384895526 /nfs/dbraw/zinc/89/55/26/384895526.db2.gz IYKTUVFHMDWRCY-QWHCGFSZSA-N 1 1 226.364 1.439 10 0 BDAEMO COC[C@@H](C)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086929339 384895530 /nfs/dbraw/zinc/89/55/30/384895530.db2.gz IYKTUVFHMDWRCY-QWHCGFSZSA-N 1 1 226.364 1.439 10 0 BDAEMO COC[C@@H](C)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000086929339 384895532 /nfs/dbraw/zinc/89/55/32/384895532.db2.gz IYKTUVFHMDWRCY-QWHCGFSZSA-N 1 1 226.364 1.439 10 0 BDAEMO CC(C)n1nnnc1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000177231820 384925355 /nfs/dbraw/zinc/92/53/55/384925355.db2.gz KLJXIWXBLPCPGH-JTQLQIEISA-N 1 1 237.351 1.874 10 0 BDAEMO CC(C)n1nnnc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000177231820 384925363 /nfs/dbraw/zinc/92/53/63/384925363.db2.gz KLJXIWXBLPCPGH-JTQLQIEISA-N 1 1 237.351 1.874 10 0 BDAEMO C[C@H]1OCC[C@@H]1Nc1nc(N(C)C)cc[nH+]1 ZINC000301874375 384936625 /nfs/dbraw/zinc/93/66/25/384936625.db2.gz GIFKVYFSZYGXPN-BDAKNGLRSA-N 1 1 222.292 1.132 10 0 BDAEMO COc1ccc(CNC[C@@H]2CC[NH2+]C2)cc1 ZINC000258881596 384943359 /nfs/dbraw/zinc/94/33/59/384943359.db2.gz KNEJMCGBQFXDAZ-GFCCVEGCSA-N 1 1 220.316 1.394 10 0 BDAEMO CC[C@H](C[N@H+]1C[C@H]2CCCCN2C[C@H]1C)OC ZINC000310375344 385015335 /nfs/dbraw/zinc/01/53/35/385015335.db2.gz ZMNJPUYXXCQAOS-MGPQQGTHSA-N 1 1 240.391 1.970 10 0 BDAEMO c1coc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128489677 385039920 /nfs/dbraw/zinc/03/99/20/385039920.db2.gz LNVUQKVVJRBFER-GFCCVEGCSA-N 1 1 246.314 1.783 10 0 BDAEMO 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229.226 1.398 10 0 BDAEMO CCOC(=O)[C@@H]([NH3+])Cc1ccc(N(C)C)cc1 ZINC000033699514 170253366 /nfs/dbraw/zinc/25/33/66/170253366.db2.gz HKMRLVVTTWCDRB-LBPRGKRZSA-N 1 1 236.315 1.186 10 0 BDAEMO CCOC(=O)[C@@H]([NH3+])Cc1cccc(C)c1 ZINC000033718294 170253743 /nfs/dbraw/zinc/25/37/43/170253743.db2.gz NPSYCLHHTUNXOD-NSHDSACASA-N 1 1 207.273 1.428 10 0 BDAEMO CCOC(=O)[C@@H]([NH3+])Cc1sccc1C ZINC000061892927 170254261 /nfs/dbraw/zinc/25/42/61/170254261.db2.gz ORJOYAXOTVZNGX-QMMMGPOBSA-N 1 1 213.302 1.489 10 0 BDAEMO CCOC(=O)[C@@](C)([NH3+])Cc1ccccc1OC ZINC000037735024 170261600 /nfs/dbraw/zinc/26/16/00/170261600.db2.gz RCPMRMHVIXKHJY-ZDUSSCGKSA-N 1 1 237.299 1.518 10 0 BDAEMO CCOC(=O)[C@@](C)([NH3+])Cc1ccccc1C ZINC000095748732 170261848 /nfs/dbraw/zinc/26/18/48/170261848.db2.gz ATFSVOGPAABXNN-ZDUSSCGKSA-N 1 1 221.300 1.818 10 0 BDAEMO CCOC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000049369698 170268147 /nfs/dbraw/zinc/26/81/47/170268147.db2.gz RVMFBGOVFLFLMC-GRYCIOLGSA-N 1 1 242.363 1.258 10 0 BDAEMO CCOC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000049369690 170268233 /nfs/dbraw/zinc/26/82/33/170268233.db2.gz RVMFBGOVFLFLMC-SDDRHHMPSA-N 1 1 242.363 1.258 10 0 BDAEMO CCOC(=O)[C@H]([NH3+])Cc1cc(C)ccc1C ZINC000061893004 170274914 /nfs/dbraw/zinc/27/49/14/170274914.db2.gz FIBBRAGLAFSQQB-GFCCVEGCSA-N 1 1 221.300 1.736 10 0 BDAEMO CCOC(=O)[C@H]1C[C@@H](Cc2ccccc2)C[NH2+]1 ZINC000004203191 170282420 /nfs/dbraw/zinc/28/24/20/170282420.db2.gz BHAUJMSBJFTASK-CHWSQXEVSA-N 1 1 233.311 1.770 10 0 BDAEMO CCOC1=NCC(N(C)C)=[NH+][C@@H]1C(C)C ZINC000196421461 170320814 /nfs/dbraw/zinc/32/08/14/170320814.db2.gz JZLVCDXBWITZMJ-SNVBAGLBSA-N 1 1 211.309 1.420 10 0 BDAEMO CCOCCC[N@@H+]1CC(C)(C)NC[C@H]1C ZINC000041227755 170371447 /nfs/dbraw/zinc/37/14/47/170371447.db2.gz FKQFBLIECWKXCD-LLVKDONJSA-N 1 1 214.353 1.485 10 0 BDAEMO CCOCCC[N@H+]1CC(C)(C)NC[C@H]1C ZINC000041227755 170371449 /nfs/dbraw/zinc/37/14/49/170371449.db2.gz FKQFBLIECWKXCD-LLVKDONJSA-N 1 1 214.353 1.485 10 0 BDAEMO CCOCCC[N@@H+]1CCN[C@H](CC)C1 ZINC000083059996 170373352 /nfs/dbraw/zinc/37/33/52/170373352.db2.gz WDNFADNBUNBJRA-LLVKDONJSA-N 1 1 200.326 1.097 10 0 BDAEMO CCOCCC[N@H+]1CCN[C@H](CC)C1 ZINC000083059996 170373354 /nfs/dbraw/zinc/37/33/54/170373354.db2.gz WDNFADNBUNBJRA-LLVKDONJSA-N 1 1 200.326 1.097 10 0 BDAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCCC2CCC2)C1 ZINC000660506758 411594927 /nfs/dbraw/zinc/59/49/27/411594927.db2.gz PDKHADOOSANWKK-QWHCGFSZSA-N 1 1 227.348 1.648 10 0 BDAEMO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@H](C)[C@H]1O ZINC000661620154 411819798 /nfs/dbraw/zinc/81/97/98/411819798.db2.gz HRIFUQWVVOWWNN-BJJPWKGXSA-N 1 1 241.375 1.486 10 0 BDAEMO CC(C)[N@H+]1CCCC[C@@H](n2ccc(N)n2)C1 ZINC000616652151 411867162 /nfs/dbraw/zinc/86/71/62/411867162.db2.gz FAIRALUQXAZCLL-LLVKDONJSA-N 1 1 222.336 1.901 10 0 BDAEMO C[C@@H]1CC[N@@H+](CC2(O)CCC2)C[C@H](C)O1 ZINC000661850295 411901322 /nfs/dbraw/zinc/90/13/22/411901322.db2.gz GTLQBEIAKQCMBG-MNOVXSKESA-N 1 1 213.321 1.401 10 0 BDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1cnccn1 ZINC000383421637 487620858 /nfs/dbraw/zinc/62/08/58/487620858.db2.gz PBIPWDZQFWJLDB-GHMZBOCLSA-N 1 1 218.304 1.150 10 0 BDAEMO CC(C)[N@H+]1CCC[C@@H](n2ccc(N)n2)CC1 ZINC000616602223 411871673 /nfs/dbraw/zinc/87/16/73/411871673.db2.gz VGGJPXKISNYAOX-LLVKDONJSA-N 1 1 222.336 1.901 10 0 BDAEMO CC(C)[N@H+]1CCO[C@@H](c2c[nH]nc2N)CC1 ZINC000616594087 411872706 /nfs/dbraw/zinc/87/27/06/411872706.db2.gz NYRJKOINDMTFIX-SNVBAGLBSA-N 1 1 224.308 1.164 10 0 BDAEMO Nc1ccc([C@@H]2CCCCC[N@H+]2CCO)cn1 ZINC000616624598 411956994 /nfs/dbraw/zinc/95/69/94/411956994.db2.gz CBVMRCZHSFWZCT-LBPRGKRZSA-N 1 1 235.331 1.573 10 0 BDAEMO CC[C@@H]1C[N@@H+](CC(CC)(CC)CO)CCN1C ZINC000104127384 171076247 /nfs/dbraw/zinc/07/62/47/171076247.db2.gz YTYVWMYMVVWGRZ-CYBMUJFWSA-N 1 1 242.407 1.811 10 0 BDAEMO CC[C@@H]1CSC(N[C@@H]2CCC[N@@H+](CC)C2)=[NH+]1 ZINC000049221507 171114455 /nfs/dbraw/zinc/11/44/55/171114455.db2.gz BUGAKAOSEVKFBN-GHMZBOCLSA-N 1 1 241.404 1.942 10 0 BDAEMO CC[C@H](C)[N@H+](CCOC)C1(CN)CCOCC1 ZINC000042578058 171315502 /nfs/dbraw/zinc/31/55/02/171315502.db2.gz QVXYFAOECIXCOK-LBPRGKRZSA-N 1 1 244.379 1.241 10 0 BDAEMO CC[C@H](C)[N@@H+](CCOC)C1(CN)CCOCC1 ZINC000042578058 171315503 /nfs/dbraw/zinc/31/55/03/171315503.db2.gz QVXYFAOECIXCOK-LBPRGKRZSA-N 1 1 244.379 1.241 10 0 BDAEMO CC[C@H](C)[C@@H](CN)[N@H+](C)CCc1ccncc1 ZINC000048259545 171369064 /nfs/dbraw/zinc/36/90/64/171369064.db2.gz STYVFKCCTWPOFC-GXTWGEPZSA-N 1 1 235.375 1.929 10 0 BDAEMO CC[C@H](C)[C@@H](CN)[N@@H+](C)CCc1ccncc1 ZINC000048259545 171369065 /nfs/dbraw/zinc/36/90/65/171369065.db2.gz STYVFKCCTWPOFC-GXTWGEPZSA-N 1 1 235.375 1.929 10 0 BDAEMO [NH3+]Cc1nc(CN2CCC[C@H](CCF)C2)no1 ZINC000662312264 412094097 /nfs/dbraw/zinc/09/40/97/412094097.db2.gz XZCYABXVZMGNHA-SECBINFHSA-N 1 1 242.298 1.100 10 0 BDAEMO C[C@]1(C(F)F)C[N@H+](CC2(O)CCC2)CCO1 ZINC000662369110 412128427 /nfs/dbraw/zinc/12/84/27/412128427.db2.gz MJMPQCOVITUOJG-SNVBAGLBSA-N 1 1 235.274 1.257 10 0 BDAEMO C[C@]1(C(F)F)C[N@@H+](CC2(O)CCC2)CCO1 ZINC000662369110 412128429 /nfs/dbraw/zinc/12/84/29/412128429.db2.gz MJMPQCOVITUOJG-SNVBAGLBSA-N 1 1 235.274 1.257 10 0 BDAEMO CC[C@H]([NH3+])c1nnc(-c2c[nH]c(C)cc2=O)o1 ZINC000083360818 171491879 /nfs/dbraw/zinc/49/18/79/171491879.db2.gz GRGFDDNVEXZQIQ-QMMMGPOBSA-N 1 1 234.259 1.143 10 0 BDAEMO CC(C)(C)[N@H+]1CCCO[C@@H](Nc2cc[nH]n2)C1 ZINC000616652139 412202278 /nfs/dbraw/zinc/20/22/78/412202278.db2.gz DMYUPXIXXZEENJ-LLVKDONJSA-N 1 1 238.335 1.669 10 0 BDAEMO CC(C)(C)[N@H+]1CC[C@H](Nc2cc[nH]n2)C1 ZINC000616613969 412202740 /nfs/dbraw/zinc/20/27/40/412202740.db2.gz XJECYTWFWXWXRP-VIFPVBQESA-N 1 1 208.309 1.694 10 0 BDAEMO CCc1nc([C@@H]([NH3+])c2ccc(F)cc2)no1 ZINC000036762852 172005071 /nfs/dbraw/zinc/00/50/71/172005071.db2.gz WYKSVIWDHUWMRL-JTQLQIEISA-N 1 1 221.235 1.819 10 0 BDAEMO CCc1nnc([C@H](C)[NH2+]Cc2cc[nH]c2)[nH]1 ZINC000127142827 172006296 /nfs/dbraw/zinc/00/62/96/172006296.db2.gz XIDBGFFNERRQGQ-QMMMGPOBSA-N 1 1 219.292 1.546 10 0 BDAEMO CCc1nnc(Cn2cc[nH+]c2CC)n1C ZINC000179184447 172027375 /nfs/dbraw/zinc/02/73/75/172027375.db2.gz XOAGQVPVTXBSNM-UHFFFAOYSA-N 1 1 219.292 1.185 10 0 BDAEMO CCn1c(C)nnc1[C@@H]([NH3+])c1ccccc1 ZINC000042029989 172141749 /nfs/dbraw/zinc/14/17/49/172141749.db2.gz JTFLYMCCJCHJMT-NSHDSACASA-N 1 1 216.288 1.655 10 0 BDAEMO CCn1ccnc1N[C@H]1CCC[N@H+](C)C1 ZINC000050614148 172227204 /nfs/dbraw/zinc/22/72/04/172227204.db2.gz TUEMGDAWJMCTBN-JTQLQIEISA-N 1 1 208.309 1.409 10 0 BDAEMO CCn1ccnc1N[C@H]1CCC[N@@H+](C)C1 ZINC000050614148 172227206 /nfs/dbraw/zinc/22/72/06/172227206.db2.gz TUEMGDAWJMCTBN-JTQLQIEISA-N 1 1 208.309 1.409 10 0 BDAEMO CCn1ccnc1[C@@H]([NH3+])c1cccnc1 ZINC000011735231 172229888 /nfs/dbraw/zinc/22/98/88/172229888.db2.gz CRXVIKDMPAPQNP-JTQLQIEISA-N 1 1 202.261 1.346 10 0 BDAEMO CCn1cnnc1[C@H]([NH3+])c1ccccc1 ZINC000054497707 172239547 /nfs/dbraw/zinc/23/95/47/172239547.db2.gz PGKKXMORKXVNHQ-SNVBAGLBSA-N 1 1 202.261 1.346 10 0 BDAEMO CN(C)C(C)(C)C[NH2+]CC(=O)Nc1ccccc1 ZINC000049857493 172394651 /nfs/dbraw/zinc/39/46/51/172394651.db2.gz PRNKFSFDMITREW-UHFFFAOYSA-N 1 1 249.358 1.555 10 0 BDAEMO C[N@@H+](CC[C@H]1CCCC[NH+]1C)C(C)(C)C(=O)[O-] ZINC000061172363 173006194 /nfs/dbraw/zinc/00/61/94/173006194.db2.gz PCDDVSLACQSNCN-LLVKDONJSA-N 1 1 242.363 1.656 10 0 BDAEMO C[NH+](CC[C@H]1CCCC[N@@H+]1C)C(C)(C)C(=O)[O-] ZINC000061172363 173006195 /nfs/dbraw/zinc/00/61/95/173006195.db2.gz PCDDVSLACQSNCN-LLVKDONJSA-N 1 1 242.363 1.656 10 0 BDAEMO C[NH+](CC[C@H]1CCCC[N@H+]1C)C(C)(C)C(=O)[O-] ZINC000061172363 173006197 /nfs/dbraw/zinc/00/61/97/173006197.db2.gz PCDDVSLACQSNCN-LLVKDONJSA-N 1 1 242.363 1.656 10 0 BDAEMO C[N@H+]1CCCC[C@H]1c1ccc(C(N)=O)cc1 ZINC000075906923 173010486 /nfs/dbraw/zinc/01/04/86/173010486.db2.gz PMEPFOOQLPCDGP-LBPRGKRZSA-N 1 1 218.300 1.942 10 0 BDAEMO C[N@H+]1CCCN(c2cc(F)ccc2N)CC1 ZINC000052118990 173016563 /nfs/dbraw/zinc/01/65/63/173016563.db2.gz AXSRTXATWMEHFI-UHFFFAOYSA-N 1 1 223.295 1.550 10 0 BDAEMO C[N@H+]1CCC[C@@H](Nc2ccc3oc(=O)[nH]c3c2)C1 ZINC000076691657 173020868 /nfs/dbraw/zinc/02/08/68/173020868.db2.gz JQBMWJCUBVNOOD-SNVBAGLBSA-N 1 1 247.298 1.627 10 0 BDAEMO C[N@H+]1CCC[C@@H](c2[nH]nc3ncccc32)C1 ZINC000072381229 173023565 /nfs/dbraw/zinc/02/35/65/173023565.db2.gz HGJJWECDJYGXJJ-SECBINFHSA-N 1 1 216.288 1.767 10 0 BDAEMO C[N@H+]1CCC[C@@H]1CCn1cc2[nH]cccc-2c1=O ZINC000065369880 173027161 /nfs/dbraw/zinc/02/71/61/173027161.db2.gz SUAISPLKIHGCCI-LLVKDONJSA-N 1 1 245.326 1.522 10 0 BDAEMO CN1CCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000195523218 173030159 /nfs/dbraw/zinc/03/01/59/173030159.db2.gz FIDOQGPCDVNILQ-LLVKDONJSA-N 1 1 224.352 1.137 10 0 BDAEMO C[N@H+]1CCC[C@H](CNc2cc(Cl)ncn2)C1 ZINC000044560222 173041866 /nfs/dbraw/zinc/04/18/66/173041866.db2.gz JYVPULCGSHEIFY-SECBINFHSA-N 1 1 240.738 1.884 10 0 BDAEMO CN1CCC[C@H](C[NH3+])[C@H]1c1ccncc1 ZINC000082382484 173042354 /nfs/dbraw/zinc/04/23/54/173042354.db2.gz VOHPKDFDHYLFHK-VXGBXAGGSA-N 1 1 205.305 1.423 10 0 BDAEMO CN1CC[NH+](CCNc2ccccc2)CC1 ZINC000037483099 173081411 /nfs/dbraw/zinc/08/14/11/173081411.db2.gz ZNKGABUHILRMLB-UHFFFAOYSA-N 1 1 219.332 1.346 10 0 BDAEMO CN1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000020270314 173093268 /nfs/dbraw/zinc/09/32/68/173093268.db2.gz SDPBUMYTWCTSLF-CQSZACIVSA-N 1 1 231.343 1.078 10 0 BDAEMO C[N@H+]1CC[C@@H](CNCC(=O)Nc2ccccc2)C1 ZINC000037647478 173114573 /nfs/dbraw/zinc/11/45/73/173114573.db2.gz IBEFTGJNJHNWES-LBPRGKRZSA-N 1 1 247.342 1.166 10 0 BDAEMO C[N@H+]1CC[C@@H](CNCc2ccc(F)cc2)C1 ZINC000037484576 173116298 /nfs/dbraw/zinc/11/62/98/173116298.db2.gz LWBFILVCHPBCRX-LBPRGKRZSA-N 1 1 222.307 1.867 10 0 BDAEMO C[N@@H+]1CC[C@@H](CNCc2ccc(F)cc2)C1 ZINC000037484576 173116297 /nfs/dbraw/zinc/11/62/97/173116297.db2.gz LWBFILVCHPBCRX-LBPRGKRZSA-N 1 1 222.307 1.867 10 0 BDAEMO C[N@H+]1CC[C@@H](CNc2nsnc2Cl)C1 ZINC000037485166 173117504 /nfs/dbraw/zinc/11/75/04/173117504.db2.gz ZDQPOCZVNLZTNX-LURJTMIESA-N 1 1 232.740 1.555 10 0 BDAEMO C[N@H+]1CC[C@@H](Nc2ccc(N)c3cccnc23)C1 ZINC000042545026 173125051 /nfs/dbraw/zinc/12/50/51/173125051.db2.gz UNNGXAKLCQSPCN-SNVBAGLBSA-N 1 1 242.326 1.933 10 0 BDAEMO C[N@H+]1CC[C@@H](Nc2ccc(Cl)nn2)C1 ZINC000042548180 173126732 /nfs/dbraw/zinc/12/67/32/173126732.db2.gz HWJBYWCREMRGQX-SSDOTTSWSA-N 1 1 212.684 1.246 10 0 BDAEMO C[N@H+]1CC[C@@H](Oc2cc(N)ccc2F)C1 ZINC000039109019 173127658 /nfs/dbraw/zinc/12/76/58/173127658.db2.gz JRCCCHHHYLJYKR-SECBINFHSA-N 1 1 210.252 1.491 10 0 BDAEMO C[N@@H+]1CC[C@H](CNCc2ccc(O)cc2)C1 ZINC000037484565 173147463 /nfs/dbraw/zinc/14/74/63/173147463.db2.gz WFTUPLAJVRRIOH-GFCCVEGCSA-N 1 1 220.316 1.434 10 0 BDAEMO C[N@H+]1CC[C@H](CNCc2ccc(O)cc2)C1 ZINC000037484565 173147465 /nfs/dbraw/zinc/14/74/65/173147465.db2.gz WFTUPLAJVRRIOH-GFCCVEGCSA-N 1 1 220.316 1.434 10 0 BDAEMO C[N@H+]1CC[C@H](CNc2ncnc(Cl)c2N)C1 ZINC000062362999 173147888 /nfs/dbraw/zinc/14/78/88/173147888.db2.gz RUATXTAMVSGULQ-SSDOTTSWSA-N 1 1 241.726 1.076 10 0 BDAEMO C[N@H+]1CCc2oc(=O)c3ccccc3c2C1 ZINC000169320066 173173383 /nfs/dbraw/zinc/17/33/83/173173383.db2.gz NZHUHVNYEJDEGO-UHFFFAOYSA-N 1 1 215.252 1.781 10 0 BDAEMO C[N@H+]1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1 ZINC000033825640 173199803 /nfs/dbraw/zinc/19/98/03/173199803.db2.gz CPDAVIZHKGVASM-AVGNSLFASA-N 1 1 221.300 1.175 10 0 BDAEMO CNC(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195441665 173274137 /nfs/dbraw/zinc/27/41/37/173274137.db2.gz OJPQCGYBVCMTJZ-VIFPVBQESA-N 1 1 239.344 1.069 10 0 BDAEMO CNC(=O)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195441665 173274138 /nfs/dbraw/zinc/27/41/38/173274138.db2.gz OJPQCGYBVCMTJZ-VIFPVBQESA-N 1 1 239.344 1.069 10 0 BDAEMO CNC(=O)Nc1ccc(N[C@H]2CC[N@@H+](C)C2)cc1 ZINC000061988560 173292907 /nfs/dbraw/zinc/29/29/07/173292907.db2.gz LKQJNCRUIHAUBB-LBPRGKRZSA-N 1 1 248.330 1.554 10 0 BDAEMO CNC(=O)[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000042341779 173295294 /nfs/dbraw/zinc/29/52/94/173295294.db2.gz MOMLGKGUJJAHHX-SSDOTTSWSA-N 1 1 228.242 1.189 10 0 BDAEMO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCOC ZINC000054601526 173324176 /nfs/dbraw/zinc/32/41/76/173324176.db2.gz KDGSHGJEKDZPKX-YOGCLGLASA-N 1 1 212.337 1.238 10 0 BDAEMO C[NH2+]C[C@@H](O)CN(Cc1ccccc1)C(C)C ZINC000019864110 173364547 /nfs/dbraw/zinc/36/45/47/173364547.db2.gz UVTBBGUQHKYGQN-CQSZACIVSA-N 1 1 236.359 1.477 10 0 BDAEMO C[NH2+]C[C@@H]1CCN(CCc2ccccc2F)C1 ZINC000011891988 173371139 /nfs/dbraw/zinc/37/11/39/173371139.db2.gz DKCWGWSEUSAELY-LBPRGKRZSA-N 1 1 236.334 1.910 10 0 BDAEMO C[NH2+]Cc1ccoc1CN1CCCOCC1 ZINC000061935825 173391521 /nfs/dbraw/zinc/39/15/21/173391521.db2.gz WWCXSUMBNNSGPG-UHFFFAOYSA-N 1 1 224.304 1.221 10 0 BDAEMO C[NH2+]Cc1cnn(-c2ccncc2)c1C ZINC000042355893 173393176 /nfs/dbraw/zinc/39/31/76/173393176.db2.gz NKFIGTDXHVOFHN-UHFFFAOYSA-N 1 1 202.261 1.295 10 0 BDAEMO C[NH2+]Cc1noc(-c2cc(F)ccc2C)n1 ZINC000062667121 173399080 /nfs/dbraw/zinc/39/90/80/173399080.db2.gz YOMSYDSUBPXBAH-UHFFFAOYSA-N 1 1 221.235 1.904 10 0 BDAEMO COC1CC[NH+](C[C@H](N)c2ccccc2)CC1 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371549039 /nfs/dbraw/zinc/54/90/39/371549039.db2.gz CPXONSVVUYRANJ-SSDOTTSWSA-N 1 1 212.322 1.306 10 0 BDAEMO CC(C)(C)C(=O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000157460269 371551702 /nfs/dbraw/zinc/55/17/02/371551702.db2.gz MLGOYGAIQHEMES-LBPRGKRZSA-N 1 1 213.321 1.448 10 0 BDAEMO Nc1[nH+]cccc1NCc1cncs1 ZINC000131423634 371603043 /nfs/dbraw/zinc/60/30/43/371603043.db2.gz PZOBVPXMZROJOO-UHFFFAOYSA-N 1 1 206.274 1.732 10 0 BDAEMO CSCCN1C[C@H](C)[NH2+]CC[C@H]1C ZINC000131553361 371623753 /nfs/dbraw/zinc/62/37/53/371623753.db2.gz VPTVSECZTVZNEK-VHSXEESVSA-N 1 1 202.367 1.422 10 0 BDAEMO CSCC[N@@H+]1C[C@H](C)NCC[C@H]1C ZINC000131553361 371623759 /nfs/dbraw/zinc/62/37/59/371623759.db2.gz VPTVSECZTVZNEK-VHSXEESVSA-N 1 1 202.367 1.422 10 0 BDAEMO CSCC[N@H+]1C[C@H](C)NCC[C@H]1C ZINC000131553361 371623765 /nfs/dbraw/zinc/62/37/65/371623765.db2.gz VPTVSECZTVZNEK-VHSXEESVSA-N 1 1 202.367 1.422 10 0 BDAEMO C[C@@H]1CSCC[N@H+]1[C@@H]1CCC[C@H]1O ZINC000226287046 371638037 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O[C@@]12CCCC[C@H]1C[N@H+](C1CCOCC1)CC2 ZINC000128498895 183217884 /nfs/dbraw/zinc/21/78/84/183217884.db2.gz WGTQYCQVOWYJTJ-GXTWGEPZSA-N 1 1 239.359 1.792 10 0 BDAEMO O[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000095347425 183242517 /nfs/dbraw/zinc/24/25/17/183242517.db2.gz QVQHJPYWCKXTFP-MJBXVCDLSA-N 1 1 217.312 1.889 10 0 BDAEMO CCCN1CCN(Cc2cc(C[NH3+])co2)CC1 ZINC000052421943 169203676 /nfs/dbraw/zinc/20/36/76/169203676.db2.gz VGGRUTGSXUBNTQ-UHFFFAOYSA-N 1 1 237.347 1.266 10 0 BDAEMO c1cc2[nH]nnc2c(C[NH+]2CCCC2)c1 ZINC000095934319 183338922 /nfs/dbraw/zinc/33/89/22/183338922.db2.gz CWCPPFXYMYNRKN-UHFFFAOYSA-N 1 1 202.261 1.554 10 0 BDAEMO c1cc2nn[nH]c2c(C[NH+]2CCCC2)c1 ZINC000095934319 183338925 /nfs/dbraw/zinc/33/89/25/183338925.db2.gz CWCPPFXYMYNRKN-UHFFFAOYSA-N 1 1 202.261 1.554 10 0 BDAEMO CCC[N@H+]1CC[C@H](N2CCOCC2)C[C@@H]1C ZINC000073655937 169209172 /nfs/dbraw/zinc/20/91/72/169209172.db2.gz XMOZGVBWDAJKOY-STQMWFEESA-N 1 1 226.364 1.582 10 0 BDAEMO 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10 0 BDAEMO [NH3+]Cc1nc(CN2CCCCCCC2)no1 ZINC000261534824 135167553 /nfs/dbraw/zinc/16/75/53/135167553.db2.gz UMKMIERHXGMKRE-UHFFFAOYSA-N 1 1 224.308 1.294 10 0 BDAEMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1cccc2c1NCC2 ZINC000261758844 135250603 /nfs/dbraw/zinc/25/06/03/135250603.db2.gz CSXRQLQTOPJOGC-SMDDNHRTSA-N 1 1 246.354 1.857 10 0 BDAEMO COCC(C)(C)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261968488 135266772 /nfs/dbraw/zinc/26/67/72/135266772.db2.gz QCMSBHVYWQTVSQ-NSHDSACASA-N 1 1 228.380 1.718 10 0 BDAEMO C[N@@H+](CC1CC(O)C1)CC1CCOCC1 ZINC000084453954 135320891 /nfs/dbraw/zinc/32/08/91/135320891.db2.gz IOIUDCYQDYYSOD-UHFFFAOYSA-N 1 1 213.321 1.116 10 0 BDAEMO C(C1CCOCC1)N1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299892950 135381174 /nfs/dbraw/zinc/38/11/74/135381174.db2.gz FYQDJCQDTVUZDS-STQMWFEESA-N 1 1 224.348 1.097 10 0 BDAEMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2CCCO)O1 ZINC000299998659 135383888 /nfs/dbraw/zinc/38/38/88/135383888.db2.gz ZJZIKNFAXYUDJJ-FRRDWIJNSA-N 1 1 227.348 1.791 10 0 BDAEMO Cn1cc(CC[N@H+]2CCC[C@@H]2CCCO)cn1 ZINC000077655393 135392169 /nfs/dbraw/zinc/39/21/69/135392169.db2.gz KJQMMELTIALLPL-CYBMUJFWSA-N 1 1 237.347 1.200 10 0 BDAEMO CC[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)CC)C1 ZINC000164543342 135392359 /nfs/dbraw/zinc/39/23/59/135392359.db2.gz DUWPOPPWONVWLK-LLVKDONJSA-N 1 1 241.379 1.959 10 0 BDAEMO CC[C@H]1C[N@@H+](CC2CC2)CCN1C[C@@H](C)O ZINC000156162679 397922603 /nfs/dbraw/zinc/92/26/03/397922603.db2.gz QKUUUHUOAIFXBF-YPMHNXCESA-N 1 1 226.364 1.173 10 0 BDAEMO CC[C@H]1CN(CC2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000156162679 397922606 /nfs/dbraw/zinc/92/26/06/397922606.db2.gz QKUUUHUOAIFXBF-YPMHNXCESA-N 1 1 226.364 1.173 10 0 BDAEMO CC[C@H]1CN(CC2CC2)CC[N@H+]1C[C@@H](C)O ZINC000156162679 397922609 /nfs/dbraw/zinc/92/26/09/397922609.db2.gz QKUUUHUOAIFXBF-YPMHNXCESA-N 1 1 226.364 1.173 10 0 BDAEMO CC(C)[N@H+]1CCO[C@H](c2ncco2)CC1 ZINC000616684033 397925687 /nfs/dbraw/zinc/92/56/87/397925687.db2.gz AJMYZEMBQAXQAP-JTQLQIEISA-N 1 1 210.277 1.846 10 0 BDAEMO COCC(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000414776896 398035401 /nfs/dbraw/zinc/03/54/01/398035401.db2.gz CPCJCSPVISCSCD-VHSXEESVSA-N 1 1 200.326 1.081 10 0 BDAEMO COCC(C)(C)CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000414776896 398035406 /nfs/dbraw/zinc/03/54/06/398035406.db2.gz CPCJCSPVISCSCD-VHSXEESVSA-N 1 1 200.326 1.081 10 0 BDAEMO COCC(C)(C)C[N@@H+]1CC[C@@H](N)[C@@H]1C ZINC000414776896 398035408 /nfs/dbraw/zinc/03/54/08/398035408.db2.gz CPCJCSPVISCSCD-VHSXEESVSA-N 1 1 200.326 1.081 10 0 BDAEMO COCC(C)(C)C[N@H+]1CC[C@@H](N)[C@@H]1C ZINC000414776896 398035414 /nfs/dbraw/zinc/03/54/14/398035414.db2.gz CPCJCSPVISCSCD-VHSXEESVSA-N 1 1 200.326 1.081 10 0 BDAEMO Cc1noc(C)c1C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000334747700 398065758 /nfs/dbraw/zinc/06/57/58/398065758.db2.gz VMMSMKNOMGGTCL-LDYMZIIASA-N 1 1 224.304 1.494 10 0 BDAEMO CC[N@H+]1CC[C@H](NCc2ncnn2C(C)C)C1 ZINC000389440474 398093174 /nfs/dbraw/zinc/09/31/74/398093174.db2.gz NQADFFXEOLFRPU-NSHDSACASA-N 1 1 237.351 1.043 10 0 BDAEMO C[N@H+]1C[C@H]2CC[C@@H]1C[C@@]2(O)c1ccccc1 ZINC000584624839 398079513 /nfs/dbraw/zinc/07/95/13/398079513.db2.gz BGIHHGFRIVKNQW-MGPQQGTHSA-N 1 1 217.312 1.988 10 0 BDAEMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000061679338 171243377 /nfs/dbraw/zinc/24/33/77/171243377.db2.gz HSYVNHPTQYWYEA-HBNTYKKESA-N 1 1 212.337 1.761 10 0 BDAEMO CC(C)NC(=O)CC[N@@H+]1[C@H](C)CCC[C@@H]1CN ZINC000104157705 167041194 /nfs/dbraw/zinc/04/11/94/167041194.db2.gz XRTLYMYZMJMFEA-VXGBXAGGSA-N 1 1 241.379 1.103 10 0 BDAEMO CC(C)NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1CN ZINC000104157705 167041200 /nfs/dbraw/zinc/04/12/00/167041200.db2.gz XRTLYMYZMJMFEA-VXGBXAGGSA-N 1 1 241.379 1.103 10 0 BDAEMO CC(C)[NH2+]Cc1nnc([C@@H]2CCCCO2)o1 ZINC000050973800 167124536 /nfs/dbraw/zinc/12/45/36/167124536.db2.gz FSHNECYCGBGLAA-VIFPVBQESA-N 1 1 225.292 1.809 10 0 BDAEMO CC[C@H](C)[N@@H+](CCO)C[C@H]1CCC[C@H](O)C1 ZINC000393801578 487584076 /nfs/dbraw/zinc/58/40/76/487584076.db2.gz SQQOLMJQXUUMAC-AVGNSLFASA-N 1 1 229.364 1.630 10 0 BDAEMO CC(C)Oc1ccc(COC(=O)[C@H](C)[NH3+])cc1 ZINC000077374038 167294960 /nfs/dbraw/zinc/29/49/60/167294960.db2.gz JJXLDFWAHARXOB-JTQLQIEISA-N 1 1 237.299 1.864 10 0 BDAEMO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1CCCO ZINC000052762286 169748701 /nfs/dbraw/zinc/74/87/01/169748701.db2.gz MYVMZAXXGCOUFJ-LBPRGKRZSA-N 1 1 242.363 1.092 10 0 BDAEMO CCC[C@@H](CN1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000393503183 410725060 /nfs/dbraw/zinc/72/50/60/410725060.db2.gz VXWWSAOEHIUTDW-OLZOCXBDSA-N 1 1 226.364 1.582 10 0 BDAEMO CCC[C@@H](C[N@@H+]1CCN2CCC[C@@H]2C1)OC ZINC000393503183 410725063 /nfs/dbraw/zinc/72/50/63/410725063.db2.gz VXWWSAOEHIUTDW-OLZOCXBDSA-N 1 1 226.364 1.582 10 0 BDAEMO CCC[C@@H](C[N@H+]1CCN2CCC[C@@H]2C1)OC ZINC000393503183 410725066 /nfs/dbraw/zinc/72/50/66/410725066.db2.gz VXWWSAOEHIUTDW-OLZOCXBDSA-N 1 1 226.364 1.582 10 0 BDAEMO CC(C)NC(=O)CC[N@@H+]1[C@H](C)CCC[C@H]1CN ZINC000104157715 167041000 /nfs/dbraw/zinc/04/10/00/167041000.db2.gz XRTLYMYZMJMFEA-NEPJUHHUSA-N 1 1 241.379 1.103 10 0 BDAEMO CC(C)NC(=O)CC[N@H+]1[C@H](C)CCC[C@H]1CN ZINC000104157715 167041004 /nfs/dbraw/zinc/04/10/04/167041004.db2.gz XRTLYMYZMJMFEA-NEPJUHHUSA-N 1 1 241.379 1.103 10 0 BDAEMO CC(C)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(N)c1 ZINC000042601219 167049805 /nfs/dbraw/zinc/04/98/05/167049805.db2.gz ZMTAQDZRQCETKU-LLVKDONJSA-N 1 1 249.358 1.786 10 0 BDAEMO CC(C)[NH2+]C[C@@H](C(C)C)N1CCN(C)[C@H](C)C1 ZINC000104136160 167108237 /nfs/dbraw/zinc/10/82/37/167108237.db2.gz KMGSZQTVRSSHGM-KGLIPLIRSA-N 1 1 241.423 1.645 10 0 BDAEMO CC(C)OCC[N@@H+]1CC[C@H](C)C[C@@H]1CN ZINC000224842072 167235830 /nfs/dbraw/zinc/23/58/30/167235830.db2.gz UCQAQJWVMDLABR-NWDGAFQWSA-N 1 1 214.353 1.471 10 0 BDAEMO CC(C)OCC[N@H+]1CC[C@H](C)C[C@@H]1CN ZINC000224842072 167235833 /nfs/dbraw/zinc/23/58/33/167235833.db2.gz UCQAQJWVMDLABR-NWDGAFQWSA-N 1 1 214.353 1.471 10 0 BDAEMO CN1CCC[C@@H]1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398795012 410990579 /nfs/dbraw/zinc/99/05/79/410990579.db2.gz PAEXZCWWPNESBP-REWJHTLYSA-N 1 1 238.375 1.173 10 0 BDAEMO C[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1N ZINC000300082063 411081755 /nfs/dbraw/zinc/08/17/55/411081755.db2.gz CQRYWLXCLVQZSH-BZPMIXESSA-N 1 1 246.354 1.832 10 0 BDAEMO C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1N ZINC000300082063 411081758 /nfs/dbraw/zinc/08/17/58/411081758.db2.gz CQRYWLXCLVQZSH-BZPMIXESSA-N 1 1 246.354 1.832 10 0 BDAEMO Cc1cc(N2C[C@H](O)CC[C@@H]2C)nc(C)[nH+]1 ZINC000399272418 411031589 /nfs/dbraw/zinc/03/15/89/411031589.db2.gz UTAYVHRIPLFCLQ-GXSJLCMTSA-N 1 1 221.304 1.443 10 0 BDAEMO CO[C@@H]1CCC[C@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 ZINC000310394395 411235374 /nfs/dbraw/zinc/23/53/74/411235374.db2.gz SEPYWOWWVFXMTB-XJFOESAGSA-N 1 1 240.391 1.861 10 0 BDAEMO CO[C@@H]1CCC[C@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 ZINC000310394395 411235376 /nfs/dbraw/zinc/23/53/76/411235376.db2.gz SEPYWOWWVFXMTB-XJFOESAGSA-N 1 1 240.391 1.861 10 0 BDAEMO CC(C)(O)[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000660112893 411235924 /nfs/dbraw/zinc/23/59/24/411235924.db2.gz OROPZMGSZQPSCO-XQQFMLRXSA-N 1 1 241.375 1.773 10 0 BDAEMO C[N@@H+](C[C@@H]1CCC[C@@H](O)C1)CC1(O)CCCC1 ZINC000310466561 411237770 /nfs/dbraw/zinc/23/77/70/411237770.db2.gz ZSOXOZIXPMBXRM-CHWSQXEVSA-N 1 1 241.375 1.774 10 0 BDAEMO CC(C)(C)[N@H+]1CCOCC[C@@H]1c1c[nH]nc1N ZINC000616599857 411240357 /nfs/dbraw/zinc/24/03/57/411240357.db2.gz YABXTXDIVGGKJF-SNVBAGLBSA-N 1 1 238.335 1.554 10 0 BDAEMO Cc1cc(N2C[C@H](C)C[C@@H](O)C2)nc(C)[nH+]1 ZINC000401730711 411305809 /nfs/dbraw/zinc/30/58/09/411305809.db2.gz DWUMBTFNOHVZOO-LDYMZIIASA-N 1 1 221.304 1.301 10 0 BDAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](O)C2)C[C@@]1(C)CO ZINC000662144737 411366767 /nfs/dbraw/zinc/36/67/67/411366767.db2.gz UOFLVKHOZLWUAO-MQYQWHSLSA-N 1 1 241.375 1.488 10 0 BDAEMO CC1CCN(Cc2cc(C[NH3+])no2)CC1 ZINC000052377053 168184946 /nfs/dbraw/zinc/18/49/46/168184946.db2.gz YXMORVPVIJPXFD-UHFFFAOYSA-N 1 1 209.293 1.365 10 0 BDAEMO CC[N@H+]1CCCOC[C@H]1c1ccccc1CO ZINC000616649006 411412429 /nfs/dbraw/zinc/41/24/29/411412429.db2.gz JDIKGKDBGDOMKT-AWEZNQCLSA-N 1 1 235.327 1.962 10 0 BDAEMO CCN(C[C@H]1CCCO1)c1[nH+]cccc1N ZINC000042467876 169898644 /nfs/dbraw/zinc/89/86/44/169898644.db2.gz TUUVXLUZUWLLAO-SNVBAGLBSA-N 1 1 221.304 1.669 10 0 BDAEMO CO[C@@H](CN1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000659901367 411492680 /nfs/dbraw/zinc/49/26/80/411492680.db2.gz PBYNQXGBMCIHMC-KGLIPLIRSA-N 1 1 238.375 1.582 10 0 BDAEMO CO[C@@H](C[N@@H+]1CCN2CCC[C@@H]2C1)C1CCC1 ZINC000659901367 411492684 /nfs/dbraw/zinc/49/26/84/411492684.db2.gz PBYNQXGBMCIHMC-KGLIPLIRSA-N 1 1 238.375 1.582 10 0 BDAEMO CO[C@@H](C[N@H+]1CCN2CCC[C@@H]2C1)C1CCC1 ZINC000659901367 411492685 /nfs/dbraw/zinc/49/26/85/411492685.db2.gz PBYNQXGBMCIHMC-KGLIPLIRSA-N 1 1 238.375 1.582 10 0 BDAEMO CC(C)[C@H]1C[N@H+]([C@@H]2CCC[C@H]2O)CCS1 ZINC000659969754 411513433 /nfs/dbraw/zinc/51/34/33/411513433.db2.gz RJXCTNNOKVPULJ-IJLUTSLNSA-N 1 1 229.389 1.973 10 0 BDAEMO CC[N@@H+]1CCNC[C@H]1Cc1ccccc1 ZINC000062569188 170000725 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ZINC000718680061 712777570 /nfs/dbraw/zinc/77/75/70/712777570.db2.gz BJPKEQOZEOREFK-SECBINFHSA-N 1 1 223.263 1.115 10 0 BDAEMO CC(F)(F)CCC[N@H+]1CCOC[C@H]1CO ZINC000718680061 712777572 /nfs/dbraw/zinc/77/75/72/712777572.db2.gz BJPKEQOZEOREFK-SECBINFHSA-N 1 1 223.263 1.115 10 0 BDAEMO CC(C)[C@H](C)[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719096406 712796794 /nfs/dbraw/zinc/79/67/94/712796794.db2.gz DJFBLDORGWVPEK-WDEREUQCSA-N 1 1 213.321 1.726 10 0 BDAEMO Cc1conc1C[N@H+]1CCC[C@H]1CCCO ZINC000720363534 712835647 /nfs/dbraw/zinc/83/56/47/712835647.db2.gz NKZUJQNDPJLVMA-NSHDSACASA-N 1 1 224.304 1.720 10 0 BDAEMO C[C@@H](Nc1cc[nH+]cc1Cl)c1cn(C)nn1 ZINC000720585552 712854900 /nfs/dbraw/zinc/85/49/00/712854900.db2.gz ZVUWTHQNBXSNHI-SSDOTTSWSA-N 1 1 237.694 1.459 10 0 BDAEMO Cc1cc(N[C@H](C)c2cn(C)nn2)nc(C)[nH+]1 ZINC000720592338 712855860 /nfs/dbraw/zinc/85/58/60/712855860.db2.gz WFWRLABGLQYTSD-MRVPVSSYSA-N 1 1 232.291 1.395 10 0 BDAEMO Cc1[nH]c(C[NH2+]CCC[NH+](C)C)cc1C(=O)[O-] ZINC000379739832 971657242 /nfs/dbraw/zinc/65/72/42/971657242.db2.gz HLJWBYANIKVJLM-UHFFFAOYSA-N 1 1 239.319 1.063 10 0 BDAEMO C[NH+](C)CCC[NH2+]Cc1csc(C(=O)[O-])c1 ZINC000689190964 976242121 /nfs/dbraw/zinc/24/21/21/976242121.db2.gz ZBEUTJJLVKSQBG-UHFFFAOYSA-N 1 1 242.344 1.488 10 0 BDAEMO C/C(=C\C(=O)[O-])C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000705129082 977267600 /nfs/dbraw/zinc/26/76/00/977267600.db2.gz BZTOOVFQUJWDOR-VNKGSWCUSA-N 1 1 240.347 1.291 10 0 BDAEMO C/C(=C\C(=O)[O-])C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000705129082 977267608 /nfs/dbraw/zinc/26/76/08/977267608.db2.gz BZTOOVFQUJWDOR-VNKGSWCUSA-N 1 1 240.347 1.291 10 0 BDAEMO C/C(=C\C(=O)[O-])C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000705129082 977267619 /nfs/dbraw/zinc/26/76/19/977267619.db2.gz BZTOOVFQUJWDOR-VNKGSWCUSA-N 1 1 240.347 1.291 10 0 BDAEMO CC[N@H+]1CC[C@H]([NH3+])[C@]12CCCSC2 ZINC000685953399 538897747 /nfs/dbraw/zinc/89/77/47/538897747.db2.gz GYASZIBAZWSENH-VHSXEESVSA-N 1 1 200.351 1.305 10 0 BDAEMO CCN1CC[C@H]([NH3+])[C@]12CCCSC2 ZINC000685953399 538897748 /nfs/dbraw/zinc/89/77/48/538897748.db2.gz GYASZIBAZWSENH-VHSXEESVSA-N 1 1 200.351 1.305 10 0 BDAEMO CC[N@@H+]1CC[C@H](N)[C@]12CCCSC2 ZINC000685953399 538897750 /nfs/dbraw/zinc/89/77/50/538897750.db2.gz GYASZIBAZWSENH-VHSXEESVSA-N 1 1 200.351 1.305 10 0 BDAEMO CC[N@H+]1CC[C@H](N)[C@]12CCCSC2 ZINC000685953399 538897751 /nfs/dbraw/zinc/89/77/51/538897751.db2.gz GYASZIBAZWSENH-VHSXEESVSA-N 1 1 200.351 1.305 10 0 BDAEMO CC(C)[N@H+]1CCC(=O)[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685953510 538898054 /nfs/dbraw/zinc/89/80/54/538898054.db2.gz HXKAQAKHMLQKLE-PTEHBNRSSA-N 1 1 225.332 1.996 10 0 BDAEMO CCC[N@@H+]1CC[C@H](N)[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955095 538900061 /nfs/dbraw/zinc/90/00/61/538900061.db2.gz SVAUVUOTFVCPRE-QNWHQSFQSA-N 1 1 226.364 1.756 10 0 BDAEMO CCC[N@H+]1CC[C@H](N)[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955095 538900062 /nfs/dbraw/zinc/90/00/62/538900062.db2.gz SVAUVUOTFVCPRE-QNWHQSFQSA-N 1 1 226.364 1.756 10 0 BDAEMO CCC[N@@H+]1CC[C@@H](N)[C@]12CCCSC2 ZINC000685955220 538900984 /nfs/dbraw/zinc/90/09/84/538900984.db2.gz WJEVZOCOEZQWOT-GHMZBOCLSA-N 1 1 214.378 1.695 10 0 BDAEMO CCC[N@H+]1CC[C@@H](N)[C@]12CCCSC2 ZINC000685955220 538900985 /nfs/dbraw/zinc/90/09/85/538900985.db2.gz WJEVZOCOEZQWOT-GHMZBOCLSA-N 1 1 214.378 1.695 10 0 BDAEMO CC(C)[NH2+]CC(F)(F)COCC(F)F ZINC000685956001 538901689 /nfs/dbraw/zinc/90/16/89/538901689.db2.gz IFTVCCJZQRQCPG-UHFFFAOYSA-N 1 1 217.206 1.901 10 0 BDAEMO CC[NH2+]CC(F)(F)COCC(F)(F)F ZINC000685956910 538902313 /nfs/dbraw/zinc/90/23/13/538902313.db2.gz JOORQNNUJAGKLM-UHFFFAOYSA-N 1 1 221.169 1.810 10 0 BDAEMO CCCCOC[C@H](O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399464382 262784237 /nfs/dbraw/zinc/78/42/37/262784237.db2.gz KRCKXTHWEBYYST-RWMBFGLXSA-N 1 1 245.363 1.009 10 0 BDAEMO C[NH2+]CC(F)(F)CN1CC=C(C)CC1 ZINC000685956531 538903041 /nfs/dbraw/zinc/90/30/41/538903041.db2.gz CHMKOUDHGVMERF-UHFFFAOYSA-N 1 1 204.264 1.493 10 0 BDAEMO C[NH2+]CC(F)(F)COC[C@H]1CCCO1 ZINC000685957037 538903505 /nfs/dbraw/zinc/90/35/05/538903505.db2.gz QJEMTXCPUMCFIH-MRVPVSSYSA-N 1 1 209.236 1.037 10 0 BDAEMO CNCC(F)(F)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000685957070 538903591 /nfs/dbraw/zinc/90/35/91/538903591.db2.gz LMHGPFDJJMTJEB-DTWKUNHWSA-N 1 1 206.280 1.571 10 0 BDAEMO CNCC(F)(F)C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000685957070 538903592 /nfs/dbraw/zinc/90/35/92/538903592.db2.gz LMHGPFDJJMTJEB-DTWKUNHWSA-N 1 1 206.280 1.571 10 0 BDAEMO C[NH2+]CC(F)(F)CN1CCCSCC1 ZINC000685957569 538905020 /nfs/dbraw/zinc/90/50/20/538905020.db2.gz AYRLTCIBLBCCMY-UHFFFAOYSA-N 1 1 224.320 1.280 10 0 BDAEMO CCC[NH2+]CC(F)(F)COCC(F)F ZINC000685958155 538905667 /nfs/dbraw/zinc/90/56/67/538905667.db2.gz QYRFPDXUTIHMCU-UHFFFAOYSA-N 1 1 217.206 1.903 10 0 BDAEMO C[NH2+]CC(F)(F)CN(C)[C@H]1CCSC1 ZINC000685958119 538905686 /nfs/dbraw/zinc/90/56/86/538905686.db2.gz PJVUFKCIBIHCTL-QMMMGPOBSA-N 1 1 224.320 1.278 10 0 BDAEMO CCC(CC)N(C)CC(F)(F)C[NH2+]C ZINC000685958378 538906147 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BDAEMO CC[C@@H]1C[N@H+]([C@H]2CCCC[C@H]2O)CCCO1 ZINC000300869968 171096798 /nfs/dbraw/zinc/09/67/98/171096798.db2.gz JVFHTAMCKNWNGM-FRRDWIJNSA-N 1 1 227.348 1.791 10 0 BDAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1CCCOC ZINC000082934897 171102225 /nfs/dbraw/zinc/10/22/25/171102225.db2.gz OXSSBZNNBOGHGF-WDEREUQCSA-N 1 1 200.326 1.095 10 0 BDAEMO CC[C@@H]1C[NH2+][C@@H](C)CN1CCCOC ZINC000082934897 171102227 /nfs/dbraw/zinc/10/22/27/171102227.db2.gz OXSSBZNNBOGHGF-WDEREUQCSA-N 1 1 200.326 1.095 10 0 BDAEMO CC[C@@](C)(O)C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000339817191 171177814 /nfs/dbraw/zinc/17/78/14/171177814.db2.gz GIHLPTOMIDWEEE-QWHCGFSZSA-N 1 1 229.364 1.894 10 0 BDAEMO CC[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000085895703 171253643 /nfs/dbraw/zinc/25/36/43/171253643.db2.gz JBALUFGTAJXLSF-GARJFASQSA-N 1 1 210.321 1.385 10 0 BDAEMO CC[C@H](C)NC1(C(N)=O)CC[NH+](C(C)C)CC1 ZINC000038064915 171339633 /nfs/dbraw/zinc/33/96/33/171339633.db2.gz YYXLAWLHLDSVHT-NSHDSACASA-N 1 1 241.379 1.103 10 0 BDAEMO C[C@@H]1C[N@@H+](CC2(O)CCC2)C[C@@](C)(C(F)F)O1 ZINC000662358374 412123933 /nfs/dbraw/zinc/12/39/33/412123933.db2.gz OGEVBCZYMSQTJY-KOLCDFICSA-N 1 1 249.301 1.646 10 0 BDAEMO CC(C)(C)[N@H+]1CCOC[C@H](Nc2cc[nH]n2)C1 ZINC000616658969 412198445 /nfs/dbraw/zinc/19/84/45/412198445.db2.gz FXEPGWBFPPGWFM-SNVBAGLBSA-N 1 1 238.335 1.321 10 0 BDAEMO CC(C)[N@H+]1CCCO[C@@H](Nc2cc[nH]n2)C1 ZINC000616651823 412296823 /nfs/dbraw/zinc/29/68/23/412296823.db2.gz AKNVDVDXPQWUIJ-LLVKDONJSA-N 1 1 224.308 1.278 10 0 BDAEMO CCc1[nH+]ccn1Cc1csc(N)n1 ZINC000042419863 172027779 /nfs/dbraw/zinc/02/77/79/172027779.db2.gz YIXYVLQGHAHLQB-UHFFFAOYSA-N 1 1 208.290 1.533 10 0 BDAEMO CCc1[nH+]ccn1[C@H](C)C(=O)N[C@H](C)CC ZINC000104298194 172029277 /nfs/dbraw/zinc/02/92/77/172029277.db2.gz LLIQESPIZAWATD-NXEZZACHSA-N 1 1 223.320 1.921 10 0 BDAEMO CCc1noc([C@H]([NH3+])Cc2ccccc2)n1 ZINC000021518350 172091995 /nfs/dbraw/zinc/09/19/95/172091995.db2.gz HJBOZCHDFDWELV-SNVBAGLBSA-N 1 1 217.272 1.875 10 0 BDAEMO CCn1c(C)nnc1C[N@@H+]1CCC2(CCC2)C1 ZINC000123369242 172139698 /nfs/dbraw/zinc/13/96/98/172139698.db2.gz KQSKYSNZWXOTNS-UHFFFAOYSA-N 1 1 234.347 1.982 10 0 BDAEMO CCn1c(C)nnc1C[N@H+]1CCC2(CCC2)C1 ZINC000123369242 172139700 /nfs/dbraw/zinc/13/97/00/172139700.db2.gz KQSKYSNZWXOTNS-UHFFFAOYSA-N 1 1 234.347 1.982 10 0 BDAEMO CCn1cc(C[N@H+]2CCC[C@@H](O)[C@H]2C)cn1 ZINC000295051350 172164549 /nfs/dbraw/zinc/16/45/49/172164549.db2.gz PPBBAUYNTHYPKG-ZYHUDNBSSA-N 1 1 223.320 1.248 10 0 BDAEMO CCn1cccc1CNC[C@@H](C)[NH+](C)C ZINC000085609040 172207646 /nfs/dbraw/zinc/20/76/46/172207646.db2.gz GFSHPWDVFXVDIA-LLVKDONJSA-N 1 1 209.337 1.548 10 0 BDAEMO CCn1ccnc1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050614401 172227776 /nfs/dbraw/zinc/22/77/76/172227776.db2.gz HBXREEAZAVCBRI-QWRGUYRKSA-N 1 1 222.336 1.703 10 0 BDAEMO CCn1ccnc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000050614376 172228270 /nfs/dbraw/zinc/22/82/70/172228270.db2.gz KTBDKVSREVTKDA-VHSXEESVSA-N 1 1 208.309 1.585 10 0 BDAEMO CN(C)C(=O)C[NH2+]Cc1nc2ccccc2s1 ZINC000037977779 172370310 /nfs/dbraw/zinc/37/03/10/172370310.db2.gz WYNNXHIIWCWIIF-UHFFFAOYSA-N 1 1 249.339 1.474 10 0 BDAEMO CN(C)[C@@H](CC[NH3+])COc1ccc(F)cc1 ZINC000020401477 172518911 /nfs/dbraw/zinc/51/89/11/172518911.db2.gz NRNZSIQMINTRJZ-NSHDSACASA-N 1 1 226.295 1.484 10 0 BDAEMO C[N@H+]1CCCC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000075906921 173008068 /nfs/dbraw/zinc/00/80/68/173008068.db2.gz PMEPFOOQLPCDGP-GFCCVEGCSA-N 1 1 218.300 1.942 10 0 BDAEMO CN1CCCC[C@H]1CNC1=[NH+]C(C)(C)CS1 ZINC000044563799 173009079 /nfs/dbraw/zinc/00/90/79/173009079.db2.gz LQQWRSNSWYNKJU-JTQLQIEISA-N 1 1 241.404 1.942 10 0 BDAEMO C[N@@H+]1CCCC[C@H]1c1noc2c1CCN2 ZINC000003704121 173009723 /nfs/dbraw/zinc/00/97/23/173009723.db2.gz ZGOVRKIEOHBGDF-VIFPVBQESA-N 1 1 207.277 1.799 10 0 BDAEMO C[N@H+]1CCCC[C@H]1c1noc2c1CCN2 ZINC000003704121 173009726 /nfs/dbraw/zinc/00/97/26/173009726.db2.gz ZGOVRKIEOHBGDF-VIFPVBQESA-N 1 1 207.277 1.799 10 0 BDAEMO C[N@@H+]1CCC[C@@H](n2nccc2Br)C1 ZINC000096985862 173023731 /nfs/dbraw/zinc/02/37/31/173023731.db2.gz BMWDSUJHEBMFBG-MRVPVSSYSA-N 1 1 244.136 1.912 10 0 BDAEMO C[N@H+]1CCC[C@@H](n2nccc2Br)C1 ZINC000096985862 173023733 /nfs/dbraw/zinc/02/37/33/173023733.db2.gz BMWDSUJHEBMFBG-MRVPVSSYSA-N 1 1 244.136 1.912 10 0 BDAEMO Cn1ccnc1NC[C@H]1CCC[N@H+](C)C1 ZINC000050606567 173040901 /nfs/dbraw/zinc/04/09/01/173040901.db2.gz AXECLOGKBTZAFQ-SNVBAGLBSA-N 1 1 208.309 1.174 10 0 BDAEMO Cn1ccnc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000050606567 173040905 /nfs/dbraw/zinc/04/09/05/173040905.db2.gz AXECLOGKBTZAFQ-SNVBAGLBSA-N 1 1 208.309 1.174 10 0 BDAEMO C[N@@H+]1CCC[C@H](n2c(N)nc3ccccc32)C1 ZINC000042278782 173047886 /nfs/dbraw/zinc/04/78/86/173047886.db2.gz JYAQQOFYPPCGRV-JTQLQIEISA-N 1 1 230.315 1.885 10 0 BDAEMO C[N@H+]1CCC[C@H](n2c(N)nc3ccccc32)C1 ZINC000042278782 173047887 /nfs/dbraw/zinc/04/78/87/173047887.db2.gz JYAQQOFYPPCGRV-JTQLQIEISA-N 1 1 230.315 1.885 10 0 BDAEMO C[N@H+]1CCC[C@H]1COC(=O)c1cccc(N)c1 ZINC000096269685 173057374 /nfs/dbraw/zinc/05/73/74/173057374.db2.gz LPUSMQXNPXCRTA-LBPRGKRZSA-N 1 1 234.299 1.520 10 0 BDAEMO C[NH+]1CCN(C[C@H]2CNc3ccccc32)CC1 ZINC000083074424 173084793 /nfs/dbraw/zinc/08/47/93/173084793.db2.gz WXOBYPPZWBRKLB-GFCCVEGCSA-N 1 1 231.343 1.443 10 0 BDAEMO CN1CCN(Cc2ccoc2C[NH2+]C2CC2)CC1 ZINC000052379356 173090494 /nfs/dbraw/zinc/09/04/94/173090494.db2.gz IRWPNKDXTYPYOQ-UHFFFAOYSA-N 1 1 249.358 1.279 10 0 BDAEMO C[N@H+](C[C@@H](O)c1ccccc1)C[C@@H]1CC[NH+](C)C1 ZINC000221350134 173113151 /nfs/dbraw/zinc/11/31/51/173113151.db2.gz GSMUOOFCEJQIFU-UKRRQHHQSA-N 1 1 248.370 1.604 10 0 BDAEMO C[N@@H+](C[C@@H](O)c1ccccc1)C[C@@H]1CC[NH+](C)C1 ZINC000221350134 173113156 /nfs/dbraw/zinc/11/31/56/173113156.db2.gz GSMUOOFCEJQIFU-UKRRQHHQSA-N 1 1 248.370 1.604 10 0 BDAEMO C[N@H+]1CC[C@@H](NC(=O)CCc2cccc(N)c2)C1 ZINC000042550069 173121570 /nfs/dbraw/zinc/12/15/70/173121570.db2.gz RBBJLNPEXUZUGI-CYBMUJFWSA-N 1 1 247.342 1.022 10 0 BDAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cccs1 ZINC000112826879 173143261 /nfs/dbraw/zinc/14/32/61/173143261.db2.gz OXPWXWDUMIZGIQ-JTQLQIEISA-N 1 1 238.356 1.772 10 0 BDAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cscn1 ZINC000070823014 173144255 /nfs/dbraw/zinc/14/42/55/173144255.db2.gz CRVKNRVGHGOPSI-VIFPVBQESA-N 1 1 239.344 1.167 10 0 BDAEMO CN1CC[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000037485048 173147058 /nfs/dbraw/zinc/14/70/58/173147058.db2.gz BUMDEJUMPGGHFY-NEPJUHHUSA-N 1 1 212.337 1.097 10 0 BDAEMO C[N@H+]1CC[C@](CO)(Nc2ccccc2F)C1 ZINC000061992175 173162543 /nfs/dbraw/zinc/16/25/43/173162543.db2.gz MXNMSOFWDRUBNM-LBPRGKRZSA-N 1 1 224.279 1.304 10 0 BDAEMO C[N@H+]1CC[C@](CO)(Nc2ccccc2Cl)C1 ZINC000061992105 173162996 /nfs/dbraw/zinc/16/29/96/173162996.db2.gz HIWRVKBPIBCZHH-LBPRGKRZSA-N 1 1 240.734 1.819 10 0 BDAEMO C[N@H+]1CCc2cc(Br)[nH]c2C1 ZINC000082370622 173169366 /nfs/dbraw/zinc/16/93/66/173169366.db2.gz VVNMANYIDCKDAH-UHFFFAOYSA-N 1 1 215.094 1.765 10 0 BDAEMO C[N@H+]1C[C@]2(C)C[C@H]1Cc1ccc(O)cc12 ZINC000006032341 173199523 /nfs/dbraw/zinc/19/95/23/173199523.db2.gz FVVVZSVINPVAIU-MFKMUULPSA-N 1 1 203.285 1.910 10 0 BDAEMO CNC(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195441670 173273814 /nfs/dbraw/zinc/27/38/14/173273814.db2.gz OJPQCGYBVCMTJZ-SECBINFHSA-N 1 1 239.344 1.069 10 0 BDAEMO CNC(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195441670 173273815 /nfs/dbraw/zinc/27/38/15/173273815.db2.gz OJPQCGYBVCMTJZ-SECBINFHSA-N 1 1 239.344 1.069 10 0 BDAEMO CNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000077391831 173296376 /nfs/dbraw/zinc/29/63/76/173296376.db2.gz QLPPISBWUVZLIS-QMMMGPOBSA-N 1 1 243.104 1.195 10 0 BDAEMO C[NH2+]C(C)(C)c1nc(CSC)no1 ZINC000061151495 173321593 /nfs/dbraw/zinc/32/15/93/173321593.db2.gz VQWLGGWRMILPII-UHFFFAOYSA-N 1 1 201.295 1.387 10 0 BDAEMO C[NH2+]C[C@@H](C)CN1CCc2ccccc2C1 ZINC000052419078 173363872 /nfs/dbraw/zinc/36/38/72/173363872.db2.gz FBLWJIVECGJTNV-GFCCVEGCSA-N 1 1 218.344 1.900 10 0 BDAEMO C[NH2+]C[C@@]1(CN(C)Cc2ccccc2)CCOC1 ZINC000051212133 173373331 /nfs/dbraw/zinc/37/33/31/173373331.db2.gz MLXGSLUKVVWEAN-OAHLLOKOSA-N 1 1 248.370 1.745 10 0 BDAEMO CNC[C@H](O)C[NH+](CC(C)C)CC(C)C ZINC000042033828 173376045 /nfs/dbraw/zinc/37/60/45/173376045.db2.gz ONXDKCOKNLYFQJ-LBPRGKRZSA-N 1 1 216.369 1.181 10 0 BDAEMO COCCC[N@H+](CCOC)C[C@@H](N)C(C)(C)C ZINC000042421788 174224552 /nfs/dbraw/zinc/22/45/52/174224552.db2.gz IUADEEJUZFLUQP-GFCCVEGCSA-N 1 1 246.395 1.345 10 0 BDAEMO COCCC[N@@H+](CCOC)C[C@@H](N)C(C)(C)C ZINC000042421788 174224554 /nfs/dbraw/zinc/22/45/54/174224554.db2.gz IUADEEJUZFLUQP-GFCCVEGCSA-N 1 1 246.395 1.345 10 0 BDAEMO COCCC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116317426 174233641 /nfs/dbraw/zinc/23/36/41/174233641.db2.gz NYYXBOUWQZOZJD-LLVKDONJSA-N 1 1 223.320 1.246 10 0 BDAEMO COCC[N@@H+](CC(=O)c1ccc[nH]1)CC(C)C ZINC000047848433 174286229 /nfs/dbraw/zinc/28/62/29/174286229.db2.gz BBLWNILBOBSMBF-UHFFFAOYSA-N 1 1 238.331 1.802 10 0 BDAEMO COCC[N@H+](CC(=O)c1ccc[nH]1)CC(C)C ZINC000047848433 174286230 /nfs/dbraw/zinc/28/62/30/174286230.db2.gz BBLWNILBOBSMBF-UHFFFAOYSA-N 1 1 238.331 1.802 10 0 BDAEMO COCC[N@H+]([C@H](C)COC)[C@@H](CN)C(C)(C)C ZINC000042603099 174302472 /nfs/dbraw/zinc/30/24/72/174302472.db2.gz MOXOOLPOKATDTN-NEPJUHHUSA-N 1 1 246.395 1.343 10 0 BDAEMO COCC[N@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000062614003 174303944 /nfs/dbraw/zinc/30/39/44/174303944.db2.gz UWMFRWBUMRTAKA-LBPRGKRZSA-N 1 1 228.380 1.731 10 0 BDAEMO COCCN1CC(C)(C)[NH2+]C[C@@H]1CC(C)C ZINC000062614003 174303945 /nfs/dbraw/zinc/30/39/45/174303945.db2.gz UWMFRWBUMRTAKA-LBPRGKRZSA-N 1 1 228.380 1.731 10 0 BDAEMO COCC[N@@H+]1C[C@@H](C)NC[C@H]1Cc1ccccc1 ZINC000062623351 174317169 /nfs/dbraw/zinc/31/71/69/174317169.db2.gz CBYRAZZCOGJTDF-UKRRQHHQSA-N 1 1 248.370 1.538 10 0 BDAEMO COCC[N@H+]1C[C@@H](C)NC[C@H]1Cc1ccccc1 ZINC000062623351 174317171 /nfs/dbraw/zinc/31/71/71/174317171.db2.gz CBYRAZZCOGJTDF-UKRRQHHQSA-N 1 1 248.370 1.538 10 0 BDAEMO COCC[NH2+]CC(=O)c1ccccc1OC ZINC000041613737 174332134 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BDAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N1CCCC1 ZINC000135581446 592022166 /nfs/dbraw/zinc/02/21/66/592022166.db2.gz XRPCEFVSRXBLSW-GFCCVEGCSA-N 1 1 239.363 1.618 10 0 BDAEMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)n1ccnc1 ZINC000219313875 592222520 /nfs/dbraw/zinc/22/25/20/592222520.db2.gz PLXBMPYFVGISHC-MNOVXSKESA-N 1 1 234.303 1.068 10 0 BDAEMO [NH3+][C@@H]1C[NH2+]CC[C@@H]1c1cc(F)ccc1F ZINC000213184110 631251259 /nfs/dbraw/zinc/25/12/59/631251259.db2.gz KHTNUQUUIXYWKJ-LDYMZIIASA-N 1 1 212.243 1.369 10 0 BDAEMO [NH3+][C@@H]1CNCC[C@@H]1c1cc(F)ccc1F ZINC000213184110 631251267 /nfs/dbraw/zinc/25/12/67/631251267.db2.gz KHTNUQUUIXYWKJ-LDYMZIIASA-N 1 1 212.243 1.369 10 0 BDAEMO CCCCC[C@@H](O)Cc1nc(C[NH3+])no1 ZINC000309777237 632668435 /nfs/dbraw/zinc/66/84/35/632668435.db2.gz LYHIPLNPXNGAST-MRVPVSSYSA-N 1 1 213.281 1.012 10 0 BDAEMO CCCCC[C@H](O)Cc1nc(C[NH3+])no1 ZINC000309777241 632668900 /nfs/dbraw/zinc/66/89/00/632668900.db2.gz LYHIPLNPXNGAST-QMMMGPOBSA-N 1 1 213.281 1.012 10 0 BDAEMO 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CC1(C)CCC[C@@H](C[N@@H+]2CCOC[C@@H]2CO)O1 ZINC000714383119 712487312 /nfs/dbraw/zinc/48/73/12/712487312.db2.gz AJQKZPNHKJMMBY-RYUDHWBXSA-N 1 1 243.347 1.027 10 0 BDAEMO CC1(C)CCC[C@@H](C[N@H+]2CCOC[C@@H]2CO)O1 ZINC000714383119 712487313 /nfs/dbraw/zinc/48/73/13/712487313.db2.gz AJQKZPNHKJMMBY-RYUDHWBXSA-N 1 1 243.347 1.027 10 0 BDAEMO CCC[C@@H]([NH3+])c1nc(C[C@H]2CCCO2)no1 ZINC000036830856 712502597 /nfs/dbraw/zinc/50/25/97/712502597.db2.gz MBLMFEQIEQFHBF-RKDXNWHRSA-N 1 1 225.292 1.591 10 0 BDAEMO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cn(C)nn2)CO1 ZINC000715944470 712544833 /nfs/dbraw/zinc/54/48/33/712544833.db2.gz YLYBRYOUMONURC-LPEHRKFASA-N 1 1 224.308 1.033 10 0 BDAEMO Cc1n[nH]c(C[NH2+]Cc2ccccn2)c1C ZINC000716494098 712566057 /nfs/dbraw/zinc/56/60/57/712566057.db2.gz RAZAMUUROAJWAP-UHFFFAOYSA-N 1 1 216.288 1.711 10 0 BDAEMO CC[C@@](C)(O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717429402 712657426 /nfs/dbraw/zinc/65/74/26/712657426.db2.gz IPNJDQWSKZBVQL-FRRDWIJNSA-N 1 1 226.364 1.316 10 0 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BDAEMO CCCN1CC[C@H]([NH3+])[C@]12CCSC2 ZINC000685955274 538900686 /nfs/dbraw/zinc/90/06/86/538900686.db2.gz XBOXELUUXRIFIF-VHSXEESVSA-N 1 1 200.351 1.305 10 0 BDAEMO CC[NH2+]CC(F)(F)CN1CC[C@@H](C)C1 ZINC000685956827 538901027 /nfs/dbraw/zinc/90/10/27/538901027.db2.gz KYGTUFVHEFIZCB-SECBINFHSA-N 1 1 206.280 1.573 10 0 BDAEMO CC[NH2+]CC(F)(F)CN(C)C1CCC1 ZINC000685957119 538903391 /nfs/dbraw/zinc/90/33/91/538903391.db2.gz QQNORSCNBFZTQM-UHFFFAOYSA-N 1 1 206.280 1.716 10 0 BDAEMO CCN(CC1CC1)CC(F)(F)C[NH2+]C ZINC000685957416 538904476 /nfs/dbraw/zinc/90/44/76/538904476.db2.gz RCDFOUWIRSTWDA-UHFFFAOYSA-N 1 1 206.280 1.573 10 0 BDAEMO C[C@@H]1C[C@]1(C)CN(C)CC(F)(F)C[NH3+] ZINC000685957718 538905000 /nfs/dbraw/zinc/90/50/00/538905000.db2.gz YRSXXTAEUDYQQR-RKDXNWHRSA-N 1 1 206.280 1.558 10 0 BDAEMO C[NH2+]CC(F)(F)COCc1ccco1 ZINC000685957524 538905039 /nfs/dbraw/zinc/90/50/39/538905039.db2.gz ZZXJLIGIGNZORX-UHFFFAOYSA-N 1 1 205.204 1.651 10 0 BDAEMO CCN(C[C@H]1C[C@@H]1C)CC(F)(F)C[NH3+] 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233.327 1.455 10 0 BDAEMO CC(=O)[C@@H]1CCC[N@@H+](Cc2cnoc2C)C1 ZINC000700800486 712006450 /nfs/dbraw/zinc/00/64/50/712006450.db2.gz JNCXJDUBTRPLFX-LLVKDONJSA-N 1 1 222.288 1.784 10 0 BDAEMO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1CO ZINC000708686378 712197035 /nfs/dbraw/zinc/19/70/35/712197035.db2.gz JDPPZKGWJUTLNF-RGDJUOJXSA-N 1 1 223.360 1.983 10 0 BDAEMO C[C@@H]1C[N@@H+](CCOC2CCCCC2)C[C@H]1CO ZINC000708698127 712197734 /nfs/dbraw/zinc/19/77/34/712197734.db2.gz LFLWHVVHNYXYGL-OLZOCXBDSA-N 1 1 241.375 1.896 10 0 BDAEMO CC[N@H+]1CC[C@@H](N[C@@H](C)c2cn(C)cn2)C1 ZINC000709951646 712234487 /nfs/dbraw/zinc/23/44/87/712234487.db2.gz ZLJZANWQXDHJOT-WDEREUQCSA-N 1 1 222.336 1.165 10 0 BDAEMO CCN1CC[C@@H]([NH2+][C@@H](C)c2cn(C)cn2)C1 ZINC000709951646 712234488 /nfs/dbraw/zinc/23/44/88/712234488.db2.gz ZLJZANWQXDHJOT-WDEREUQCSA-N 1 1 222.336 1.165 10 0 BDAEMO CC[N@H+]1CCC[C@@H](NCc2nccn2C2CC2)C1 ZINC000711747645 712323725 /nfs/dbraw/zinc/32/37/25/712323725.db2.gz UVUXAFDLPHFSQT-GFCCVEGCSA-N 1 1 248.374 1.792 10 0 BDAEMO CCN1CCC[C@@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000711747645 712323726 /nfs/dbraw/zinc/32/37/26/712323726.db2.gz UVUXAFDLPHFSQT-GFCCVEGCSA-N 1 1 248.374 1.792 10 0 BDAEMO CC(=O)[C@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711766182 712327262 /nfs/dbraw/zinc/32/72/62/712327262.db2.gz ROQNYPHWGGTKEY-NSHDSACASA-N 1 1 211.305 1.466 10 0 BDAEMO CCCc1nccnc1NC[C@H]1CC[N@H+]1CC ZINC000712591544 712435059 /nfs/dbraw/zinc/43/50/59/712435059.db2.gz JMHKGZUCVUELHG-LLVKDONJSA-N 1 1 234.347 1.935 10 0 BDAEMO CCC[C@H]([NH3+])c1nc(C[C@H]2CCCO2)no1 ZINC000036830855 712502345 /nfs/dbraw/zinc/50/23/45/712502345.db2.gz MBLMFEQIEQFHBF-BDAKNGLRSA-N 1 1 225.292 1.591 10 0 BDAEMO CCCc1noc([C@@H]([NH3+])CCSC)n1 ZINC000036915739 712515165 /nfs/dbraw/zinc/51/51/65/712515165.db2.gz HJGKKEAEWAIFBV-ZETCQYMHSA-N 1 1 215.322 1.775 10 0 BDAEMO CO[C@H]1C[C@@H](CO)[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715505164 712524138 /nfs/dbraw/zinc/52/41/38/712524138.db2.gz HNBAQXGJBVHFNN-RFGFWPKPSA-N 1 1 239.359 1.504 10 0 BDAEMO COC1CC(C[N@H+]2CC[C@@H](C3OCCO3)C2)C1 ZINC000719090593 712796822 /nfs/dbraw/zinc/79/68/22/712796822.db2.gz GHLFOVKTGYRSBR-MOENNCHZSA-N 1 1 241.331 1.106 10 0 BDAEMO C[C@H](Nc1nc(N(C)C)cc[nH+]1)C1CC1 ZINC000380229357 712834202 /nfs/dbraw/zinc/83/42/02/712834202.db2.gz KZTRYAHREAPZNV-QMMMGPOBSA-N 1 1 206.293 1.753 10 0 BDAEMO Cc1cc(C[N@H+]2CC[C@@H](CCO)C2)c(C)nn1 ZINC000720586846 712851901 /nfs/dbraw/zinc/85/19/01/712851901.db2.gz IECGODHQSKOLCC-LBPRGKRZSA-N 1 1 235.331 1.298 10 0 BDAEMO COC(=O)[C@H]1C[N@@H+](C[C@H]2C[C@@H](OC)C2)C[C@H]1C ZINC000721109601 712891187 /nfs/dbraw/zinc/89/11/87/712891187.db2.gz FYMVXFMSEFVVOU-WYUUTHIRSA-N 1 1 241.331 1.152 10 0 BDAEMO C[C@H](C(=O)[O-])[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000691377620 954684587 /nfs/dbraw/zinc/68/45/87/954684587.db2.gz DFUCQHIWIFDTFS-SNVBAGLBSA-N 1 1 240.347 1.266 10 0 BDAEMO CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(=O)[O-] ZINC000693894702 954771122 /nfs/dbraw/zinc/77/11/22/954771122.db2.gz QOJOIPFIVWZREC-QWRGUYRKSA-N 1 1 228.336 1.170 10 0 BDAEMO C[NH+]1CCC(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000687725466 968879697 /nfs/dbraw/zinc/87/96/97/968879697.db2.gz IZCTYUDNNBVFGB-GFCCVEGCSA-N 1 1 240.347 1.125 10 0 BDAEMO [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000723712472 978216756 /nfs/dbraw/zinc/21/67/56/978216756.db2.gz HEOGYLMSGRGWNV-VIFPVBQESA-N 1 1 238.287 1.149 10 0 BDAEMO CC[NH2+]CC(F)(F)Cn1cc(C)cn1 ZINC000685956988 538901112 /nfs/dbraw/zinc/90/11/12/538901112.db2.gz OWZVQEUKNQTWOW-UHFFFAOYSA-N 1 1 203.236 1.436 10 0 BDAEMO FC(F)COCC(F)(F)C[NH2+]C1CC1 ZINC000685955592 538901126 /nfs/dbraw/zinc/90/11/26/538901126.db2.gz KEFVNUJARWUVDB-UHFFFAOYSA-N 1 1 215.190 1.655 10 0 BDAEMO C[NH2+]CC(F)(F)CN1C[C@@H]2CC[C@@H]2C1 ZINC000685956132 538902117 /nfs/dbraw/zinc/90/21/17/538902117.db2.gz YCUHFPXRHCLFRM-DTORHVGOSA-N 1 1 204.264 1.183 10 0 BDAEMO C[NH2+]CC(F)(F)COC1CCOCC1 ZINC000685956307 538902168 /nfs/dbraw/zinc/90/21/68/538902168.db2.gz BYRMQTGFOCHGNN-UHFFFAOYSA-N 1 1 209.236 1.037 10 0 BDAEMO CCOC[C@H](C)OCC(F)(F)C[NH2+]C ZINC000685956326 538902420 /nfs/dbraw/zinc/90/24/20/538902420.db2.gz CFYIPSWUHNKQPB-QMMMGPOBSA-N 1 1 211.252 1.283 10 0 BDAEMO CCc1cnn(CC(F)(F)C[NH2+]C)c1 ZINC000685956616 538902862 /nfs/dbraw/zinc/90/28/62/538902862.db2.gz HCMXUHOFEWOKBB-UHFFFAOYSA-N 1 1 203.236 1.300 10 0 BDAEMO CSC1CC(N(C)CC(F)(F)C[NH3+])C1 ZINC000685957145 538903453 /nfs/dbraw/zinc/90/34/53/538903453.db2.gz RQQGOYFHNCENEC-UHFFFAOYSA-N 1 1 224.320 1.406 10 0 BDAEMO CNCC(F)(F)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000685957072 538903636 /nfs/dbraw/zinc/90/36/36/538903636.db2.gz LMHGPFDJJMTJEB-RKDXNWHRSA-N 1 1 206.280 1.571 10 0 BDAEMO CNCC(F)(F)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000685957072 538903638 /nfs/dbraw/zinc/90/36/38/538903638.db2.gz LMHGPFDJJMTJEB-RKDXNWHRSA-N 1 1 206.280 1.571 10 0 BDAEMO [NH3+]CC(F)(F)CN1C[C@H]2CCCC[C@@H]21 ZINC000685957633 538904803 /nfs/dbraw/zinc/90/48/03/538904803.db2.gz WDLATWCSHMOHHX-BDAKNGLRSA-N 1 1 204.264 1.455 10 0 BDAEMO C[NH2+]CC(F)(F)CN(C)[C@@H](C)C1CC1 ZINC000685957696 538904901 /nfs/dbraw/zinc/90/49/01/538904901.db2.gz YDEYDDSVRFOJST-QMMMGPOBSA-N 1 1 206.280 1.571 10 0 BDAEMO CCCCCN(C)CC(F)(F)C[NH2+]C ZINC000685958190 538905257 /nfs/dbraw/zinc/90/52/57/538905257.db2.gz SKAJOGQQOWEQJC-UHFFFAOYSA-N 1 1 208.296 1.963 10 0 BDAEMO CCC[NH2+]CC(F)(F)CN1CC=CC1 ZINC000685957819 538905525 /nfs/dbraw/zinc/90/55/25/538905525.db2.gz HMWWMRRFQDBCSH-UHFFFAOYSA-N 1 1 204.264 1.493 10 0 BDAEMO CC[NH2+]CC(F)(F)CN1C[C@@H](C)[C@H]1C ZINC000685957794 538905535 /nfs/dbraw/zinc/90/55/35/538905535.db2.gz GGPPJVYFZFZRKY-RKDXNWHRSA-N 1 1 206.280 1.571 10 0 BDAEMO C[NH2+]CC(F)(F)CN(C)Cc1ccccc1 ZINC000685957802 538905599 /nfs/dbraw/zinc/90/55/99/538905599.db2.gz GLECHNWFHXZYTI-UHFFFAOYSA-N 1 1 228.286 1.973 10 0 BDAEMO CCc1nnc([C@@H](C)[NH2+][C@@H](C)COC)o1 ZINC000309052541 349437308 /nfs/dbraw/zinc/43/73/08/349437308.db2.gz RSUVYSXDGDBABD-JGVFFNPUSA-N 1 1 213.281 1.318 10 0 BDAEMO NCC[N@@H+]1CC[C@H](c2ccc3ncccc3c2)C1 ZINC000616612085 349484430 /nfs/dbraw/zinc/48/44/30/349484430.db2.gz LWZGGNULFVXMKL-AWEZNQCLSA-N 1 1 241.338 1.983 10 0 BDAEMO NCC[N@H+]1CC[C@H](c2ccc3ncccc3c2)C1 ZINC000616612085 349484433 /nfs/dbraw/zinc/48/44/33/349484433.db2.gz LWZGGNULFVXMKL-AWEZNQCLSA-N 1 1 241.338 1.983 10 0 BDAEMO COC(C)(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000177143508 136216597 /nfs/dbraw/zinc/21/65/97/136216597.db2.gz QJFGQDNNZPPNDM-MNOVXSKESA-N 1 1 242.363 1.256 10 0 BDAEMO CO[C@@](C)(C[N@H+]1CCN2CCC[C@H]2C1)C1CC1 ZINC000380192888 398188973 /nfs/dbraw/zinc/18/89/73/398188973.db2.gz QAHNWKQMRWYGEE-KBPBESRZSA-N 1 1 238.375 1.582 10 0 BDAEMO CO[C@@](C)(CN1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000380192888 398188976 /nfs/dbraw/zinc/18/89/76/398188976.db2.gz QAHNWKQMRWYGEE-KBPBESRZSA-N 1 1 238.375 1.582 10 0 BDAEMO CO[C@@](C)(CN1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000380192888 398188977 /nfs/dbraw/zinc/18/89/77/398188977.db2.gz QAHNWKQMRWYGEE-KBPBESRZSA-N 1 1 238.375 1.582 10 0 BDAEMO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000175179334 365536244 /nfs/dbraw/zinc/53/62/44/365536244.db2.gz OBCHSPGVAQHPTP-QWRGUYRKSA-N 1 1 244.404 1.679 10 0 BDAEMO COC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000393824200 343982892 /nfs/dbraw/zinc/98/28/92/343982892.db2.gz CQAQMLPVXBZAAX-GRYCIOLGSA-N 1 1 243.347 1.278 10 0 BDAEMO Cc1cc(NC[C@@H]2CC[N@H+](C)C2)nc(Cl)n1 ZINC000052814435 178167636 /nfs/dbraw/zinc/16/76/36/178167636.db2.gz WGQPOQAYORYUPK-VIFPVBQESA-N 1 1 240.738 1.802 10 0 BDAEMO Cc1cc(N[C@H](C)C[NH+]2CCOCC2)ccc1N ZINC000049505712 178186481 /nfs/dbraw/zinc/18/64/81/178186481.db2.gz OWLOQCGMNQFZKV-GFCCVEGCSA-N 1 1 249.358 1.710 10 0 BDAEMO Cc1cc(N[C@H]2CCc3ncnn3C2)nc(C)[nH+]1 ZINC000108948021 178190604 /nfs/dbraw/zinc/19/06/04/178190604.db2.gz VNJFBCJFLAZTDX-JTQLQIEISA-N 1 1 244.302 1.112 10 0 BDAEMO Cc1cc(OC(=O)[C@@H](C)[NH3+])ccc1Cl ZINC000049815527 178206161 /nfs/dbraw/zinc/20/61/61/178206161.db2.gz QTUKZNOUAUDAMC-SSDOTTSWSA-N 1 1 213.664 1.901 10 0 BDAEMO CC[C@H](C)[C@@H](CN1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000381310390 398253251 /nfs/dbraw/zinc/25/32/51/398253251.db2.gz TXAMPSYYAWQIIX-BFHYXJOUSA-N 1 1 240.391 1.828 10 0 BDAEMO CC[C@H](C)[C@@H](C[N@@H+]1CCN2CCC[C@@H]2C1)OC ZINC000381310390 398253254 /nfs/dbraw/zinc/25/32/54/398253254.db2.gz TXAMPSYYAWQIIX-BFHYXJOUSA-N 1 1 240.391 1.828 10 0 BDAEMO CC[C@H](C)[C@@H](C[N@H+]1CCN2CCC[C@@H]2C1)OC ZINC000381310390 398253255 /nfs/dbraw/zinc/25/32/55/398253255.db2.gz TXAMPSYYAWQIIX-BFHYXJOUSA-N 1 1 240.391 1.828 10 0 BDAEMO CC[C@H](C)[C@@H](CN1CC[N@H+]2CCC[C@H]2C1)OC ZINC000381310395 398253281 /nfs/dbraw/zinc/25/32/81/398253281.db2.gz TXAMPSYYAWQIIX-MELADBBJSA-N 1 1 240.391 1.828 10 0 BDAEMO CC[C@H](C)[C@@H](C[N@@H+]1CCN2CCC[C@H]2C1)OC ZINC000381310395 398253283 /nfs/dbraw/zinc/25/32/83/398253283.db2.gz TXAMPSYYAWQIIX-MELADBBJSA-N 1 1 240.391 1.828 10 0 BDAEMO CC[C@H](C)[C@@H](C[N@H+]1CCN2CCC[C@H]2C1)OC ZINC000381310395 398253284 /nfs/dbraw/zinc/25/32/84/398253284.db2.gz TXAMPSYYAWQIIX-MELADBBJSA-N 1 1 240.391 1.828 10 0 BDAEMO CN1CCC[C@H]1C[N@H+]1CCC[C@](C)(O)CC1 ZINC000386301608 398264620 /nfs/dbraw/zinc/26/46/20/398264620.db2.gz KKIHTBJKOZNZEK-STQMWFEESA-N 1 1 226.364 1.318 10 0 BDAEMO CC[N@H+]1CC[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616612559 349570061 /nfs/dbraw/zinc/57/00/61/349570061.db2.gz FXMWTBYQSDMSRE-GFCCVEGCSA-N 1 1 218.300 1.595 10 0 BDAEMO C[C@@H](C1CCC1)N(C)CC(F)(F)C[NH3+] ZINC000325404617 538952314 /nfs/dbraw/zinc/95/23/14/538952314.db2.gz QNCXMUROAPBUDJ-QMMMGPOBSA-N 1 1 206.280 1.701 10 0 BDAEMO OCCc1ccc([C@H]2CC[N@H+](CCO)C2)cc1 ZINC000616612884 349599712 /nfs/dbraw/zinc/59/97/12/349599712.db2.gz ABCUTIOVCDWVOO-AWEZNQCLSA-N 1 1 235.327 1.003 10 0 BDAEMO CC(C)[N@H+]1CC[C@H](c2cccnc2N)C1 ZINC000616613010 349601373 /nfs/dbraw/zinc/60/13/73/349601373.db2.gz GPANFJBNRKFQLF-JTQLQIEISA-N 1 1 205.305 1.862 10 0 BDAEMO COC[C@@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000036803871 398292966 /nfs/dbraw/zinc/29/29/66/398292966.db2.gz QZOMAVCTHOMGJX-SECBINFHSA-N 1 1 247.298 1.048 10 0 BDAEMO c1cn(C[C@H]2CCC[N@@H+]2Cc2cocn2)cn1 ZINC000191976478 538994048 /nfs/dbraw/zinc/99/40/48/538994048.db2.gz KORNAGSXIGDZBZ-GFCCVEGCSA-N 1 1 232.287 1.536 10 0 BDAEMO c1cn(C[C@H]2CCC[N@H+]2Cc2cocn2)cn1 ZINC000191976478 538994049 /nfs/dbraw/zinc/99/40/49/538994049.db2.gz KORNAGSXIGDZBZ-GFCCVEGCSA-N 1 1 232.287 1.536 10 0 BDAEMO COCCC1(C[NH2+][C@H](C)C(=O)OC)CCC1 ZINC000381465804 539000972 /nfs/dbraw/zinc/00/09/72/539000972.db2.gz MMARVBXJAUAFCT-SNVBAGLBSA-N 1 1 229.320 1.344 10 0 BDAEMO COCc1nc(C[NH2+]CCN2CCC2)cs1 ZINC000381572176 539004347 /nfs/dbraw/zinc/00/43/47/539004347.db2.gz XVBJQZLQXGDLLT-UHFFFAOYSA-N 1 1 241.360 1.085 10 0 BDAEMO Nc1ccc2c(c1)C[N@H+](CCCCO)C2 ZINC000011731136 342842756 /nfs/dbraw/zinc/84/27/56/342842756.db2.gz CPCGSFYLYZSHNC-UHFFFAOYSA-N 1 1 206.289 1.357 10 0 BDAEMO CC(C)N(CC(F)F)CC(F)(F)C[NH3+] ZINC000386908585 539013846 /nfs/dbraw/zinc/01/38/46/539013846.db2.gz ITSRRJMOBFXIKF-UHFFFAOYSA-N 1 1 216.222 1.556 10 0 BDAEMO [NH3+][C@H]1CCC[C@@H]1N1CCCSCC1 ZINC000042444480 361999837 /nfs/dbraw/zinc/99/98/37/361999837.db2.gz ZNISZUCQEKNHOK-UWVGGRQHSA-N 1 1 200.351 1.305 10 0 BDAEMO N[C@H]1CCC[C@@H]1[N@@H+]1CCCSCC1 ZINC000042444480 361999843 /nfs/dbraw/zinc/99/98/43/361999843.db2.gz ZNISZUCQEKNHOK-UWVGGRQHSA-N 1 1 200.351 1.305 10 0 BDAEMO N[C@H]1CCC[C@@H]1[N@H+]1CCCSCC1 ZINC000042444480 361999845 /nfs/dbraw/zinc/99/98/45/361999845.db2.gz ZNISZUCQEKNHOK-UWVGGRQHSA-N 1 1 200.351 1.305 10 0 BDAEMO Nc1ccc(N2CCCSCC2)[nH+]c1 ZINC000042443806 362000480 /nfs/dbraw/zinc/00/04/80/362000480.db2.gz ULMRBEMOHMHRRU-UHFFFAOYSA-N 1 1 209.318 1.607 10 0 BDAEMO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(F)(F)F ZINC000134498422 342860140 /nfs/dbraw/zinc/86/01/40/342860140.db2.gz XGMUDALODACSAU-UHFFFAOYSA-N 1 1 244.216 1.468 10 0 BDAEMO COC(=O)CC[NH2+][C@@H](C)c1csc(C)n1 ZINC000036915566 342913791 /nfs/dbraw/zinc/91/37/91/342913791.db2.gz ULFHBNBLNJNEJM-ZETCQYMHSA-N 1 1 228.317 1.665 10 0 BDAEMO COC(=O)[C@@H]1CCCc2[nH+]c(N)ccc21 ZINC000145640145 398344365 /nfs/dbraw/zinc/34/43/65/398344365.db2.gz HMJRYQXOOOKQJB-MRVPVSSYSA-N 1 1 206.245 1.257 10 0 BDAEMO C[N@@H+]1CC=C(c2c[nH]c3cnc(N)cc23)CC1 ZINC000036439347 343000031 /nfs/dbraw/zinc/00/00/31/343000031.db2.gz KFCTWFLGFHTUAD-UHFFFAOYSA-N 1 1 228.299 1.864 10 0 BDAEMO C[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000575564120 343079907 /nfs/dbraw/zinc/07/99/07/343079907.db2.gz AESYNSJGQAAOOB-KGLIPLIRSA-N 1 1 216.328 1.728 10 0 BDAEMO [NH3+]CC(F)(F)CNc1ncnc2ccccc21 ZINC000162684707 343205709 /nfs/dbraw/zinc/20/57/09/343205709.db2.gz HHDUBHXRYYMNQW-UHFFFAOYSA-N 1 1 238.241 1.636 10 0 BDAEMO C[C@@H]1CCCC[N@H+]1CCCNC1COC1 ZINC000082487865 136276791 /nfs/dbraw/zinc/27/67/91/136276791.db2.gz OGOORIDIVGKPKV-LLVKDONJSA-N 1 1 212.337 1.239 10 0 BDAEMO Cc1cccc(CNCCC[NH2+]CCO)c1 ZINC000032500026 343236412 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/nfs/dbraw/zinc/99/15/69/383991569.db2.gz DLEZIQDWEZIZDC-ZCFIWIBFSA-N 1 1 235.150 1.730 10 0 BDAEMO CN(C)CC[NH2+]Cc1cc(F)ccc1F ZINC000037228214 383961403 /nfs/dbraw/zinc/96/14/03/383961403.db2.gz SEEQOAOLFPPSBA-UHFFFAOYSA-N 1 1 214.259 1.616 10 0 BDAEMO Cc1ccc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)cn1 ZINC000405690480 384051391 /nfs/dbraw/zinc/05/13/91/384051391.db2.gz KWWZJXDCTWXZDU-WCQYABFASA-N 1 1 220.316 1.735 10 0 BDAEMO CO[C@@H]1CC[N@H+]2[C@H]3C=CC4=CC(=O)O[C@@]4(C3)[C@H]2C1 ZINC000090506278 384052873 /nfs/dbraw/zinc/05/28/73/384052873.db2.gz YKLWRYOORWTCQQ-FMCLSXCISA-N 1 1 247.294 1.030 10 0 BDAEMO CC(=O)NCCc1[nH+]cc(C)n1C1CCC1 ZINC000257185336 384061348 /nfs/dbraw/zinc/06/13/48/384061348.db2.gz JKSTYGGKTRBUKW-UHFFFAOYSA-N 1 1 221.304 1.595 10 0 BDAEMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000334744801 384170244 /nfs/dbraw/zinc/17/02/44/384170244.db2.gz AELHYDFPQJUVCJ-ZWNOBZJWSA-N 1 1 248.326 1.773 10 0 BDAEMO Cc1cc[nH+]c(N[C@@H]2CCCNC2=O)c1 ZINC000050396583 384204390 /nfs/dbraw/zinc/20/43/90/384204390.db2.gz JOMJHIBEGMLDOX-SECBINFHSA-N 1 1 205.261 1.081 10 0 BDAEMO CCN1CCC[C@H]1C[N@@H+](C)CC(C)(C)O ZINC000082491730 384234894 /nfs/dbraw/zinc/23/48/94/384234894.db2.gz NTDNJPCWVUKQDR-NSHDSACASA-N 1 1 214.353 1.173 10 0 BDAEMO CC[N@@H+]1CCC[C@H]1CN(C)CC(C)(C)O ZINC000082491730 384234898 /nfs/dbraw/zinc/23/48/98/384234898.db2.gz NTDNJPCWVUKQDR-NSHDSACASA-N 1 1 214.353 1.173 10 0 BDAEMO CC[N@H+]1CCC[C@H]1CN(C)CC(C)(C)O ZINC000082491730 384234906 /nfs/dbraw/zinc/23/49/06/384234906.db2.gz NTDNJPCWVUKQDR-NSHDSACASA-N 1 1 214.353 1.173 10 0 BDAEMO CC[N@@H+](Cc1c(C)nn(C)c1OC)C1CC1 ZINC000133322802 384285564 /nfs/dbraw/zinc/28/55/64/384285564.db2.gz YGIVUNIAXATDJS-UHFFFAOYSA-N 1 1 223.320 1.721 10 0 BDAEMO CCn1c(C)nnc1C[N@H+](C)C1CCC1 ZINC000173917232 384289013 /nfs/dbraw/zinc/28/90/13/384289013.db2.gz QCEKPFIVXWRPNT-UHFFFAOYSA-N 1 1 208.309 1.591 10 0 BDAEMO CCn1c(C)nnc1C[N@@H+](C)C1CCC1 ZINC000173917232 384289019 /nfs/dbraw/zinc/28/90/19/384289019.db2.gz QCEKPFIVXWRPNT-UHFFFAOYSA-N 1 1 208.309 1.591 10 0 BDAEMO OCC[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000075767747 384343294 /nfs/dbraw/zinc/34/32/94/384343294.db2.gz HHWDWTLOEXKDRO-JTQLQIEISA-N 1 1 240.734 1.939 10 0 BDAEMO CSc1nccnc1C[N@H+]1CCC[C@@H]1CO ZINC000095076786 384352184 /nfs/dbraw/zinc/35/21/84/384352184.db2.gz MKOMQDNPPMABCI-SECBINFHSA-N 1 1 239.344 1.155 10 0 BDAEMO C[C@H]1C[C@H]1NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000076072851 384356162 /nfs/dbraw/zinc/35/61/62/384356162.db2.gz ZYSNKCAWWTYNKL-GRYCIOLGSA-N 1 1 239.363 1.426 10 0 BDAEMO Cc1cnc(CC[N@H+]2C[C@@H](C)C[C@H](O)C2)c(C)c1 ZINC000335593203 384358044 /nfs/dbraw/zinc/35/80/44/384358044.db2.gz YZYRCMKJKSMUAN-JSGCOSHPSA-N 1 1 248.370 1.944 10 0 BDAEMO Cc1cnn(CC[N@@H+]2CCC[C@@H](O)[C@H]2C)c1 ZINC000335596262 384365643 /nfs/dbraw/zinc/36/56/43/384365643.db2.gz HBOYGFARCFGOBS-VXGBXAGGSA-N 1 1 223.320 1.037 10 0 BDAEMO O=C1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000076914457 384386616 /nfs/dbraw/zinc/38/66/16/384386616.db2.gz 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1.284 10 0 BDAEMO COc1c(N)[nH+]ccc1OC(F)(F)F ZINC000238429784 384656089 /nfs/dbraw/zinc/65/60/89/384656089.db2.gz RXJZCGGWEDRWKQ-UHFFFAOYSA-N 1 1 208.139 1.571 10 0 BDAEMO Cc1ccc(CCC[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185136123 384685634 /nfs/dbraw/zinc/68/56/34/384685634.db2.gz ZEPZPHXGWNBJNU-CABCVRRESA-N 1 1 249.354 1.355 10 0 BDAEMO Cc1nnc([C@@H]2C[N@H+](CC(C)C)CCO2)[nH]1 ZINC000173657266 384705957 /nfs/dbraw/zinc/70/59/57/384705957.db2.gz STESZTAAIWWTMC-JTQLQIEISA-N 1 1 224.308 1.142 10 0 BDAEMO Cc1nnc([C@@H]2C[N@@H+](CC(C)C)CCO2)[nH]1 ZINC000173657266 384705965 /nfs/dbraw/zinc/70/59/65/384705965.db2.gz STESZTAAIWWTMC-JTQLQIEISA-N 1 1 224.308 1.142 10 0 BDAEMO Cc1cnc(CN2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000173652502 384706747 /nfs/dbraw/zinc/70/67/47/384706747.db2.gz VCWJMAALZSNISI-LLVKDONJSA-N 1 1 221.304 1.263 10 0 BDAEMO [NH3+][C@@H](CCN1CCCCC1)c1ccncc1 ZINC000084012018 384829038 /nfs/dbraw/zinc/82/90/38/384829038.db2.gz XQYMRAZQIUWEOO-ZDUSSCGKSA-N 1 1 219.332 1.957 10 0 BDAEMO CCn1cncc1C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000335598056 384784221 /nfs/dbraw/zinc/78/42/21/384784221.db2.gz RRHWKJTWYCESLO-JQWIXIFHSA-N 1 1 223.320 1.248 10 0 BDAEMO CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000174470924 384795287 /nfs/dbraw/zinc/79/52/87/384795287.db2.gz PWTGMAZNDXIQBM-WDEREUQCSA-N 1 1 237.351 1.874 10 0 BDAEMO CC(C)n1nnnc1C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000174470924 384795294 /nfs/dbraw/zinc/79/52/94/384795294.db2.gz PWTGMAZNDXIQBM-WDEREUQCSA-N 1 1 237.351 1.874 10 0 BDAEMO CC[N@H+]1CC[C@H](NC(=O)Cc2ccccc2O)C1 ZINC000390008493 384796406 /nfs/dbraw/zinc/79/64/06/384796406.db2.gz SAQANYQXPQWBOZ-LBPRGKRZSA-N 1 1 248.326 1.145 10 0 BDAEMO Clc1ccc(-c2nnc3n2CC[NH2+]C3)cc1 ZINC000053709735 384804352 /nfs/dbraw/zinc/80/43/52/384804352.db2.gz YZFSAVBEAKTNOO-UHFFFAOYSA-N 1 1 234.690 1.702 10 0 BDAEMO Cc1nnc(SC[C@H]2CCC[NH2+]C2)[nH]1 ZINC000043471818 384836901 /nfs/dbraw/zinc/83/69/01/384836901.db2.gz AVIVSXJNOLGJOW-QMMMGPOBSA-N 1 1 212.322 1.205 10 0 BDAEMO COC(=O)[C@@]1(C)CCC[N@H+]1CCSC ZINC000186378174 384838609 /nfs/dbraw/zinc/83/86/09/384838609.db2.gz UNTBPXDMHOHZTG-SNVBAGLBSA-N 1 1 217.334 1.377 10 0 BDAEMO Cc1csc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)n1 ZINC000334748264 384888363 /nfs/dbraw/zinc/88/83/63/384888363.db2.gz XRGVANJLUGIWPR-WPRPVWTQSA-N 1 1 226.345 1.654 10 0 BDAEMO Cc1csc(C[N@H+]2C[C@@H](C)C[C@H](O)C2)n1 ZINC000334748264 384888376 /nfs/dbraw/zinc/88/83/76/384888376.db2.gz XRGVANJLUGIWPR-WPRPVWTQSA-N 1 1 226.345 1.654 10 0 BDAEMO Cc1nnc(SC[C@H]2CCCC[NH2+]2)[nH]1 ZINC000043495582 384854977 /nfs/dbraw/zinc/85/49/77/384854977.db2.gz APTMGCUYKYUIHG-MRVPVSSYSA-N 1 1 212.322 1.347 10 0 BDAEMO Cc1n[nH]c(SC[C@H]2CCCC[NH2+]2)n1 ZINC000043495582 384854983 /nfs/dbraw/zinc/85/49/83/384854983.db2.gz APTMGCUYKYUIHG-MRVPVSSYSA-N 1 1 212.322 1.347 10 0 BDAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CC2CCC(C)CC2)C1 ZINC000310145079 384858220 /nfs/dbraw/zinc/85/82/20/384858220.db2.gz NTAAXXOEVBZYKP-NWINJMCUSA-N 1 1 241.375 1.894 10 0 BDAEMO [NH3+]Cc1nnc(C2CCSCC2)s1 ZINC000258960131 384957506 /nfs/dbraw/zinc/95/75/06/384957506.db2.gz SZBPUDUGNRCIOL-UHFFFAOYSA-N 1 1 215.347 1.607 10 0 BDAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2CC2)C1 ZINC000156638214 384903584 /nfs/dbraw/zinc/90/35/84/384903584.db2.gz ZZRXBNOAICXQDK-PWSUYJOCSA-N 1 1 239.363 1.424 10 0 BDAEMO COCC[C@H](C)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368002203 384945144 /nfs/dbraw/zinc/94/51/44/384945144.db2.gz USUQXVLKXAHIOX-UWVGGRQHSA-N 1 1 223.320 1.282 10 0 BDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccns1 ZINC000404280986 384964368 /nfs/dbraw/zinc/96/43/68/384964368.db2.gz DYAPSEYCXDBECE-WDEREUQCSA-N 1 1 237.372 1.812 10 0 BDAEMO Cc1n[nH]cc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128547177 385048666 /nfs/dbraw/zinc/04/86/66/385048666.db2.gz CWBKQHRIAJWASS-NSHDSACASA-N 1 1 245.330 1.441 10 0 BDAEMO C[NH2+][C@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062711558 385073736 /nfs/dbraw/zinc/07/37/36/385073736.db2.gz GTXHNPWDYKJJAG-MRVPVSSYSA-N 1 1 204.195 1.323 10 0 BDAEMO Cn1cc([C@@H]2CCC[N@H+]2[C@H]2CCCC[C@@H]2O)cn1 ZINC000245620985 385036547 /nfs/dbraw/zinc/03/65/47/385036547.db2.gz NRHLXIMVEDHILI-IHRRRGAJSA-N 1 1 249.358 1.861 10 0 BDAEMO CCCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177189947 385193377 /nfs/dbraw/zinc/19/33/77/385193377.db2.gz RARPQYYDSGYKTN-LBPRGKRZSA-N 1 1 235.331 1.983 10 0 BDAEMO COCCCCC[N@H+]1CCCNC(=O)[C@H]1C ZINC000189297157 385145099 /nfs/dbraw/zinc/14/50/99/385145099.db2.gz NKCBVBQFFQZARV-LLVKDONJSA-N 1 1 228.336 1.014 10 0 BDAEMO Cn1cncc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000177074882 385178097 /nfs/dbraw/zinc/17/80/97/385178097.db2.gz LCUROAVSWATQCF-CYBMUJFWSA-N 1 1 245.330 1.870 10 0 BDAEMO Cn1cncc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000177074882 385178103 /nfs/dbraw/zinc/17/81/03/385178103.db2.gz LCUROAVSWATQCF-CYBMUJFWSA-N 1 1 245.330 1.870 10 0 BDAEMO CCc1nnc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)o1 ZINC000305197267 385203017 /nfs/dbraw/zinc/20/30/17/385203017.db2.gz UMKODKYZYOCMNQ-VHSXEESVSA-N 1 1 239.319 1.225 10 0 BDAEMO CCc1nnc(C[N@H+]2CCC[C@H](C)[C@H]2CO)o1 ZINC000305197267 385203026 /nfs/dbraw/zinc/20/30/26/385203026.db2.gz UMKODKYZYOCMNQ-VHSXEESVSA-N 1 1 239.319 1.225 10 0 BDAEMO Nc1ccc[nH+]c1N1CCOC[C@@H]2CCC[C@@H]21 ZINC000409431003 385330633 /nfs/dbraw/zinc/33/06/33/385330633.db2.gz YJHJTRNWZGRTPH-JQWIXIFHSA-N 1 1 233.315 1.669 10 0 BDAEMO Cc1cc(NCCC(=O)N2CCCC2)nc(C)[nH+]1 ZINC000158106878 385344915 /nfs/dbraw/zinc/34/49/15/385344915.db2.gz NNWIEYILJKNABR-UHFFFAOYSA-N 1 1 248.330 1.518 10 0 BDAEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccncc1 ZINC000295032706 385388511 /nfs/dbraw/zinc/38/85/11/385388511.db2.gz OAIRIXBZWVHNRW-CMPLNLGQSA-N 1 1 206.289 1.427 10 0 BDAEMO Cn1cc([C@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000156421237 385450486 /nfs/dbraw/zinc/45/04/86/385450486.db2.gz QTJZLDBYPKAORP-NSHDSACASA-N 1 1 205.305 1.619 10 0 BDAEMO Cc1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)on1 ZINC000171617623 385502155 /nfs/dbraw/zinc/50/21/55/385502155.db2.gz FYHJHKOXWRTVDM-LLVKDONJSA-N 1 1 247.302 1.412 10 0 BDAEMO 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XDCFFNMFTYLJGB-UHFFFAOYSA-N 1 1 235.243 1.213 10 0 BDAEMO COc1ccc(OC)c(COC(=O)[C@@H](C)[NH3+])c1 ZINC000049829573 175166528 /nfs/dbraw/zinc/16/65/28/175166528.db2.gz UYNHFHFPAHKSEF-MRVPVSSYSA-N 1 1 239.271 1.094 10 0 BDAEMO COc1ccc(OC)c([C@H](C[NH3+])CN(C)C)c1 ZINC000041280535 175169024 /nfs/dbraw/zinc/16/90/24/175169024.db2.gz PSIBJIDQDIRZKD-SNVBAGLBSA-N 1 1 238.331 1.308 10 0 BDAEMO COc1ccc2c(c1OC)CC[N@H+](C)C2 ZINC000001999223 175222219 /nfs/dbraw/zinc/22/22/19/175222219.db2.gz HHVOIBSWCXRZJW-UHFFFAOYSA-N 1 1 207.273 1.692 10 0 BDAEMO COc1ccc2nc(SCC(N)=[NH2+])[nH]c2c1 ZINC000019863482 175229208 /nfs/dbraw/zinc/22/92/08/175229208.db2.gz MSALIEPXTONFCS-UHFFFAOYSA-N 1 1 236.300 1.600 10 0 BDAEMO COc1cccc(/C=C\c2noc(C[NH3+])n2)c1 ZINC000073640907 175241078 /nfs/dbraw/zinc/24/10/78/175241078.db2.gz XDNIEWMMXDIRCN-WAYWQWQTSA-N 1 1 231.255 1.707 10 0 BDAEMO COc1cccc(CCOC(=O)[C@H](C)[NH3+])c1 ZINC000077335265 175252557 /nfs/dbraw/zinc/25/25/57/175252557.db2.gz WBMAOCMLJGDQEZ-VIFPVBQESA-N 1 1 223.272 1.128 10 0 BDAEMO COc1cccc(C[NH2+]C2COC2)c1OC ZINC000076672754 175263338 /nfs/dbraw/zinc/26/33/38/175263338.db2.gz XUIPHKIPHGJCHV-UHFFFAOYSA-N 1 1 223.272 1.192 10 0 BDAEMO COc1cccc(F)c1-c1nnc([C@@H](C)[NH3+])o1 ZINC000075904000 175274732 /nfs/dbraw/zinc/27/47/32/175274732.db2.gz ZOVVNSLASCHSFB-ZCFIWIBFSA-N 1 1 237.234 1.904 10 0 BDAEMO COc1cccc([C@@]2(O)CC[N@H+](C3CC3)C2)c1 ZINC000061988460 175291379 /nfs/dbraw/zinc/29/13/79/175291379.db2.gz LHVADWVZAVGRJA-CQSZACIVSA-N 1 1 233.311 1.751 10 0 BDAEMO COc1cccc([C@H](CN)[NH2+]C(C)C)c1OC ZINC000050270854 175294289 /nfs/dbraw/zinc/29/42/89/175294289.db2.gz VCJODOQNZSITSE-NSHDSACASA-N 1 1 238.331 1.702 10 0 BDAEMO COc1ccccc1[C@@H]([NH3+])CN1CCCC1 ZINC000023067693 175347376 /nfs/dbraw/zinc/34/73/76/175347376.db2.gz XJQWGNQUZKBZKS-LBPRGKRZSA-N 1 1 220.316 1.791 10 0 BDAEMO C[C@@H]([C@H]([NH3+])c1cc(F)ccc1F)S(C)(=O)=O ZINC000075429618 176012434 /nfs/dbraw/zinc/01/24/34/176012434.db2.gz BQEMNQKUTXJLEP-WKEGUHRASA-N 1 1 249.282 1.398 10 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C[C@H]([NH3+])[C@@H]1CCCCN1[C@H]1CCSC1 ZINC000251470022 362879146 /nfs/dbraw/zinc/87/91/46/362879146.db2.gz DNTNHNLACRNFEQ-DCAQKATOSA-N 1 1 214.378 1.694 10 0 BDAEMO Cc1ccc([C@@]2(O)CC[N@H+](C)[C@@H]2C)cc1 ZINC000205063916 348445434 /nfs/dbraw/zinc/44/54/34/348445434.db2.gz CERVKVQTOIGOHT-DGCLKSJQSA-N 1 1 205.301 1.907 10 0 BDAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](C)COC ZINC000246439428 349098204 /nfs/dbraw/zinc/09/82/04/349098204.db2.gz HRPWSAAWDDZUFN-MJBXVCDLSA-N 1 1 240.391 1.828 10 0 BDAEMO c1cc2n[nH]c3c2c(c1)[C@H]1CCC[NH2+][C@@H]1C3 ZINC000060039917 349264126 /nfs/dbraw/zinc/26/41/26/349264126.db2.gz ZFOZPCILROUMEK-LDYMZIIASA-N 1 1 213.284 1.955 10 0 BDAEMO Fc1ccc(-c2nc3n(n2)CC[NH2+]C3)cc1 ZINC000215583538 350013290 /nfs/dbraw/zinc/01/32/90/350013290.db2.gz AFZFTBDTMXSGOI-UHFFFAOYSA-N 1 1 218.235 1.187 10 0 BDAEMO C[C@@H]1CC[N@@H+](CCC(N)=S)[C@H](C)C1 ZINC000051731995 350079602 /nfs/dbraw/zinc/07/96/02/350079602.db2.gz ARHPFUQXUGOUMK-RKDXNWHRSA-N 1 1 200.351 1.783 10 0 BDAEMO 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183232583 /nfs/dbraw/zinc/23/25/83/183232583.db2.gz KPARGKIBTJCJMP-OLZOCXBDSA-N 1 1 239.359 1.792 10 0 BDAEMO Oc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000037168299 183270453 /nfs/dbraw/zinc/27/04/53/183270453.db2.gz QVRUYUXSRXOMEJ-ZIAGYGMSSA-N 1 1 232.327 1.719 10 0 BDAEMO Oc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]23)cc1 ZINC000037168299 183270455 /nfs/dbraw/zinc/27/04/55/183270455.db2.gz QVRUYUXSRXOMEJ-ZIAGYGMSSA-N 1 1 232.327 1.719 10 0 BDAEMO CCCN(CCC)[C@]1(C[NH3+])CCSC1 ZINC000019504868 169151984 /nfs/dbraw/zinc/15/19/84/169151984.db2.gz VOEDVBHBBPTOTM-NSHDSACASA-N 1 1 216.394 1.943 10 0 BDAEMO Oc1ccc2nc([C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000076006041 183278820 /nfs/dbraw/zinc/27/88/20/183278820.db2.gz SWNWQDKFZIDPMH-QMMMGPOBSA-N 1 1 217.272 1.736 10 0 BDAEMO Oc1ccc2nc([C@H]3CCC[NH2+]3)[nH]c2c1 ZINC000040543291 183286244 /nfs/dbraw/zinc/28/62/44/183286244.db2.gz ODWPSUOQZBDRLI-SECBINFHSA-N 1 1 203.245 1.693 10 0 BDAEMO CCC[N@H+](Cc1cccc(N)c1)C[C@@H](C)C(N)=O ZINC000035064633 169176668 /nfs/dbraw/zinc/17/66/68/169176668.db2.gz CZRJAKOSZKXQIF-LLVKDONJSA-N 1 1 249.358 1.602 10 0 BDAEMO CCCN1c2cc(F)cc(F)c2[C@@H]([NH3+])C1=O ZINC000104506515 169184576 /nfs/dbraw/zinc/18/45/76/169184576.db2.gz XIYYKXXICROGHQ-SNVBAGLBSA-N 1 1 226.226 1.721 10 0 BDAEMO c1cc(CC[NH2+][C@@H]2CCN3CCCC[C@H]23)ccn1 ZINC000049565122 183338636 /nfs/dbraw/zinc/33/86/36/183338636.db2.gz YTOBVQDSVVTULV-HUUCEWRRSA-N 1 1 245.370 1.841 10 0 BDAEMO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CCCO ZINC000052762999 169241568 /nfs/dbraw/zinc/24/15/68/169241568.db2.gz UZYFNYMKXUDTIU-VXGBXAGGSA-N 1 1 242.363 1.138 10 0 BDAEMO CCCN[C@H](CC[N@@H+](C)CC(C)C)C(=O)OC ZINC000062444789 169288782 /nfs/dbraw/zinc/28/87/82/169288782.db2.gz AFVUWOQFOUSKJX-GFCCVEGCSA-N 1 1 244.379 1.506 10 0 BDAEMO CCC[NH2+][C@H](CCC)CN1CCN(C)[C@H](C)C1 ZINC000104128403 169289149 /nfs/dbraw/zinc/28/91/49/169289149.db2.gz DSXUANGYQGPIPZ-ZIAGYGMSSA-N 1 1 241.423 1.791 10 0 BDAEMO CCC[NH2+][C@@H](CC[N@@H+](CCC)C1CC1)C(=O)[O-] ZINC000062447346 169277936 /nfs/dbraw/zinc/27/79/36/169277936.db2.gz NJCHPHCHCNCFCP-LBPRGKRZSA-N 1 1 242.363 1.704 10 0 BDAEMO CCCO[C@@H]1CCC[N@@H+](CCCC(=O)OC)C1 ZINC000042423207 169310669 /nfs/dbraw/zinc/31/06/69/169310669.db2.gz RWRNCKDGPDNVPA-GFCCVEGCSA-N 1 1 243.347 1.831 10 0 BDAEMO CCCNc1[nH+]cnc(N2CCCC2)c1N ZINC000040707615 169297108 /nfs/dbraw/zinc/29/71/08/169297108.db2.gz BDDOSRCKKTVXSU-UHFFFAOYSA-N 1 1 221.308 1.481 10 0 BDAEMO CCCNc1nc[nH+]c(N2CCCC2)c1N ZINC000040707615 169297109 /nfs/dbraw/zinc/29/71/09/169297109.db2.gz BDDOSRCKKTVXSU-UHFFFAOYSA-N 1 1 221.308 1.481 10 0 BDAEMO CCCSCC[C@@H]([NH3+])C(=O)OCC ZINC000062597738 169338955 /nfs/dbraw/zinc/33/89/55/169338955.db2.gz RMWIOUNWBRCEBZ-MRVPVSSYSA-N 1 1 205.323 1.410 10 0 BDAEMO CCC[C@@H]([NH3+])C[N@@H+]1CCCSCC1 ZINC000042444950 169392832 /nfs/dbraw/zinc/39/28/32/169392832.db2.gz HQKCAEKGFMQSIA-SNVBAGLBSA-N 1 1 202.367 1.553 10 0 BDAEMO CCC[C@@H]([NH3+])C[N@H+]1CCCSCC1 ZINC000042444950 169392833 /nfs/dbraw/zinc/39/28/33/169392833.db2.gz 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ZINC000307499339 537923928 /nfs/dbraw/zinc/92/39/28/537923928.db2.gz LIHDAWTXLCFNEI-VGMNWLOBSA-N 1 1 206.280 1.557 10 0 BDAEMO C[NH2+]CC(F)(F)Cn1ncc(Cl)c1C ZINC000685956301 537944158 /nfs/dbraw/zinc/94/41/58/537944158.db2.gz BUGGKFSVJLJFQO-UHFFFAOYSA-N 1 1 223.654 1.700 10 0 BDAEMO COCC(=O)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000669376828 537963346 /nfs/dbraw/zinc/96/33/46/537963346.db2.gz VYPLPLOODITRHZ-JTQLQIEISA-N 1 1 213.664 1.555 10 0 BDAEMO CC1(C)C[C@@H](O)CC[N@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000395311010 537965884 /nfs/dbraw/zinc/96/58/84/537965884.db2.gz GXDFYPZWKHGNCY-QJPTWQEYSA-N 1 1 227.348 1.383 10 0 BDAEMO CCC[C@@H]1CCN(CC(F)(F)C[NH3+])C1 ZINC000308570207 537965959 /nfs/dbraw/zinc/96/59/59/537965959.db2.gz JVHLZYZHSBXRDJ-SECBINFHSA-N 1 1 206.280 1.702 10 0 BDAEMO CC(C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000167626377 346291971 /nfs/dbraw/zinc/29/19/71/346291971.db2.gz XXLZELTUTPMABS-GFCCVEGCSA-N 1 1 203.285 1.926 10 0 BDAEMO Cc1ncc(C[NH2+]Cc2ccc(C)cn2)n1C ZINC000641765854 362697909 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FLZLIRBYKNZPAT-IONNQARKSA-N 1 1 225.361 1.766 10 0 BDAEMO CCC[N@H+](C)Cc1nc(CO)cs1 ZINC000669379443 537979099 /nfs/dbraw/zinc/97/90/99/537979099.db2.gz BQDIAJBUOHFAQW-UHFFFAOYSA-N 1 1 200.307 1.477 10 0 BDAEMO CN(C)CC[NH2+][C@@H]1COc2ccccc21 ZINC000070068959 349965816 /nfs/dbraw/zinc/96/58/16/349965816.db2.gz CEOQCSQXOMTFQN-LLVKDONJSA-N 1 1 206.289 1.271 10 0 BDAEMO CC1(C)C[N@H+]([C@H]2CCCC[C@@H]2O)CCCO1 ZINC000309547024 347097868 /nfs/dbraw/zinc/09/78/68/347097868.db2.gz HCZDZZBLIZJJIL-RYUDHWBXSA-N 1 1 227.348 1.791 10 0 BDAEMO Cc1cccc(N)c1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037645574 179119643 /nfs/dbraw/zinc/11/96/43/179119643.db2.gz DDXZZUNRYOGOEG-NSHDSACASA-N 1 1 247.342 1.259 10 0 BDAEMO Cc1cccc(NCC[NH+]2CCN(C)CC2)c1 ZINC000041261888 179145271 /nfs/dbraw/zinc/14/52/71/179145271.db2.gz XUMKDADXLPDJET-UHFFFAOYSA-N 1 1 233.359 1.654 10 0 BDAEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCO)C2)n1 ZINC000177698679 179148087 /nfs/dbraw/zinc/14/80/87/179148087.db2.gz LFPDTZUMWDVTDT-GFCCVEGCSA-N 1 1 235.331 1.116 10 0 BDAEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1cnccn1 ZINC000184595586 347168759 /nfs/dbraw/zinc/16/87/59/347168759.db2.gz BJBJTCHUYAGPKQ-QWHCGFSZSA-N 1 1 248.374 1.954 10 0 BDAEMO Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[NH2+]CC2)c1 ZINC000037959080 179192985 /nfs/dbraw/zinc/19/29/85/179192985.db2.gz RBCNBOVDBDQJLP-CYBMUJFWSA-N 1 1 248.326 1.416 10 0 BDAEMO CN1CCC[C@H]([N@@H+](C)[C@H]2CCCC2=O)C1 ZINC000250630372 362813637 /nfs/dbraw/zinc/81/36/37/362813637.db2.gz QZNLOTVCKPBEBK-QWRGUYRKSA-N 1 1 210.321 1.134 10 0 BDAEMO CN([C@H]1CCCC1=O)[C@H]1CCC[N@H+](C)C1 ZINC000250630372 362813641 /nfs/dbraw/zinc/81/36/41/362813641.db2.gz QZNLOTVCKPBEBK-QWRGUYRKSA-N 1 1 210.321 1.134 10 0 BDAEMO CN([C@H]1CCCC1=O)[C@H]1CCC[N@@H+](C)C1 ZINC000250630372 362813645 /nfs/dbraw/zinc/81/36/45/362813645.db2.gz QZNLOTVCKPBEBK-QWRGUYRKSA-N 1 1 210.321 1.134 10 0 BDAEMO CC1(C)CC[C@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000310514615 347291420 /nfs/dbraw/zinc/29/14/20/347291420.db2.gz KRARZIMPOKEFHV-CHWSQXEVSA-N 1 1 240.391 1.611 10 0 BDAEMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCCN(C)C(=O)C1 ZINC000191661256 347357451 /nfs/dbraw/zinc/35/74/51/347357451.db2.gz DIAKSWWVOXJOEI-OLZOCXBDSA-N 1 1 238.375 1.977 10 0 BDAEMO CCCCOC[C@@H](O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000193245290 347393086 /nfs/dbraw/zinc/39/30/86/347393086.db2.gz UORPZZLWEDGUJO-NEPJUHHUSA-N 1 1 247.404 1.601 10 0 BDAEMO CCc1nnc(C[N@H+](C)[C@@H](C)C2CC2)n1C ZINC000195111940 347605539 /nfs/dbraw/zinc/60/55/39/347605539.db2.gz OIKQDZGCAGLUQW-VIFPVBQESA-N 1 1 222.336 1.608 10 0 BDAEMO CCc1nnc(C[N@@H+](C)[C@@H](C)C2CC2)n1C ZINC000195111940 347605541 /nfs/dbraw/zinc/60/55/41/347605541.db2.gz OIKQDZGCAGLUQW-VIFPVBQESA-N 1 1 222.336 1.608 10 0 BDAEMO Cc1cccnc1-c1nnc2n1CC[NH2+][C@H]2C ZINC000053710937 179356390 /nfs/dbraw/zinc/35/63/90/179356390.db2.gz FQTUYNAGIWMLBJ-VIFPVBQESA-N 1 1 229.287 1.313 10 0 BDAEMO CC(C)(C)OC(=O)c1ccc2c(c1)CCN[C@@H]2[NH3+] ZINC000221249696 348114615 /nfs/dbraw/zinc/11/46/15/348114615.db2.gz COGANSBQALXHNH-LBPRGKRZSA-N 1 1 248.326 1.745 10 0 BDAEMO Cc1cccnc1C[NH+]1[C@H](C)COC[C@H]1C ZINC000093175690 179379014 /nfs/dbraw/zinc/37/90/14/179379014.db2.gz MGUFJXIPKKPENU-VXGBXAGGSA-N 1 1 220.316 1.999 10 0 BDAEMO C[C@H]1C[C@H](O)C[N@@H+](CCOCC2CCC2)C1 ZINC000419290329 192118088 /nfs/dbraw/zinc/11/80/88/192118088.db2.gz VLGFXUUNBIHICT-AAEUAGOBSA-N 1 1 227.348 1.506 10 0 BDAEMO Cc1ccc[nH+]c1N[C@H]1CCCNC1=O ZINC000051041208 179395123 /nfs/dbraw/zinc/39/51/23/179395123.db2.gz KMMDSRPKCGRQRA-VIFPVBQESA-N 1 1 205.261 1.081 10 0 BDAEMO CC[C@H]1CCCC[N@H+]1[C@H](C)C(N)=S ZINC000251747043 362904966 /nfs/dbraw/zinc/90/49/66/362904966.db2.gz LEELKWUGPUOJIO-BDAKNGLRSA-N 1 1 200.351 1.926 10 0 BDAEMO CSCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398857279 323193875 /nfs/dbraw/zinc/19/38/75/323193875.db2.gz OZYRXIKFPFGRIK-SRVKXCTJSA-N 1 1 229.389 1.832 10 0 BDAEMO Cc1cnc([C@@H](C)[NH2+]CCC2(O)CCC2)o1 ZINC000336753370 179646458 /nfs/dbraw/zinc/64/64/58/179646458.db2.gz 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[NH3+]CC(F)(F)CN1CC[C@H](C2CC2)C1 ZINC000400333837 538948394 /nfs/dbraw/zinc/94/83/94/538948394.db2.gz KVTCHCXYJNYYLY-VIFPVBQESA-N 1 1 204.264 1.312 10 0 BDAEMO CCSCC[N@H+]1C[C@H](O)CC[C@H]1C ZINC000378732857 346820398 /nfs/dbraw/zinc/82/03/98/346820398.db2.gz LPJIFRATHATDOW-NXEZZACHSA-N 1 1 203.351 1.585 10 0 BDAEMO Cc1ccc(C(=O)CN2CC[NH+](C)CC2)c(C)c1 ZINC000034981400 178372557 /nfs/dbraw/zinc/37/25/57/178372557.db2.gz QBIYOANZRTVXIR-UHFFFAOYSA-N 1 1 246.354 1.734 10 0 BDAEMO c1ccc(CO[NH+]=C2N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000306643924 361831333 /nfs/dbraw/zinc/83/13/33/361831333.db2.gz YDGXYTBZVCUJOM-BETUJISGSA-N 1 1 245.326 1.978 10 0 BDAEMO C[C@@H]1C[C@@H]1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000167321013 361863479 /nfs/dbraw/zinc/86/34/79/361863479.db2.gz HXACBXXYHLIULC-XQHKEYJVSA-N 1 1 208.349 1.811 10 0 BDAEMO COc1cccc2c1C=C(C[C@@H](N)C[NH3+])CC2 ZINC000144288624 342728941 /nfs/dbraw/zinc/72/89/41/342728941.db2.gz SZXIIVFTOXYSMF-GFCCVEGCSA-N 1 1 232.327 1.701 10 0 BDAEMO CC[N@H+]1CCCC[C@@H]1c1[nH]nc2c1CCN2 ZINC000003708027 342736884 /nfs/dbraw/zinc/73/68/84/342736884.db2.gz SRZIAAYCDRKOMO-SNVBAGLBSA-N 1 1 220.320 1.925 10 0 BDAEMO CC[N@H+]1CCC[C@@H](c2[nH]nc3c2CCN3)C1 ZINC000003708021 342737002 /nfs/dbraw/zinc/73/70/02/342737002.db2.gz LYFRXDYFVOSPDU-SECBINFHSA-N 1 1 220.320 1.577 10 0 BDAEMO COC(=O)[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000381506491 539002859 /nfs/dbraw/zinc/00/28/59/539002859.db2.gz KYYHFRVVEZETQO-QMMMGPOBSA-N 1 1 235.274 1.963 10 0 BDAEMO CC[C@@H](C[NH2+]Cc1csc(COC)n1)OC ZINC000381544495 539003855 /nfs/dbraw/zinc/00/38/55/539003855.db2.gz JNTMUFBMUPLUOM-JTQLQIEISA-N 1 1 244.360 1.804 10 0 BDAEMO CC[N@@H+]1CC[C@]2(C1)NCCc1occc12 ZINC000709987844 539027920 /nfs/dbraw/zinc/02/79/20/539027920.db2.gz BUMJRYQHKZAEIF-GFCCVEGCSA-N 1 1 206.289 1.346 10 0 BDAEMO CC[N@H+]1CC[C@]2(C1)NCCc1occc12 ZINC000709987844 539027921 /nfs/dbraw/zinc/02/79/21/539027921.db2.gz BUMJRYQHKZAEIF-GFCCVEGCSA-N 1 1 206.289 1.346 10 0 BDAEMO C[C@H](C[N@H+]1CCCSCC1)C(N)=S 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ZINC000229949722 342858358 /nfs/dbraw/zinc/85/83/58/342858358.db2.gz PXUCTXMYNIJBTH-KOLCDFICSA-N 1 1 212.362 1.666 10 0 BDAEMO CN[C@]1(C(F)F)C[C@H](C)[N@H+](C2CC2)C1 ZINC000229950363 342858739 /nfs/dbraw/zinc/85/87/39/342858739.db2.gz VRJPXBJTZZOSHQ-OIBJUYFYSA-N 1 1 204.264 1.466 10 0 BDAEMO c1cnc2cc([C@H]3CNCC[NH2+]3)ccc2c1 ZINC000309157367 342897890 /nfs/dbraw/zinc/89/78/90/342897890.db2.gz SUHPULQFSWERPR-CYBMUJFWSA-N 1 1 213.284 1.469 10 0 BDAEMO CC[N@H+]1CC[C@@H](NCc2ncnn2C(C)C)C1 ZINC000389440472 398326687 /nfs/dbraw/zinc/32/66/87/398326687.db2.gz NQADFFXEOLFRPU-LLVKDONJSA-N 1 1 237.351 1.043 10 0 BDAEMO C(CN1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000300360670 398343846 /nfs/dbraw/zinc/34/38/46/398343846.db2.gz YDUFHWFZHHVAAL-QWHCGFSZSA-N 1 1 224.348 1.193 10 0 BDAEMO Nc1cc(NCC=C(Cl)Cl)nc[nH+]1 ZINC000407371080 342956259 /nfs/dbraw/zinc/95/62/59/342956259.db2.gz MDZQGIRDVSAYDB-UHFFFAOYSA-N 1 1 219.075 1.212 10 0 BDAEMO Nc1cc(NCC=C(Cl)Cl)[nH+]cn1 ZINC000407371080 342956261 /nfs/dbraw/zinc/95/62/61/342956261.db2.gz MDZQGIRDVSAYDB-UHFFFAOYSA-N 1 1 219.075 1.212 10 0 BDAEMO Cc1c(N)cccc1CN1CC[NH+](C)CC1 ZINC000020192652 342975813 /nfs/dbraw/zinc/97/58/13/342975813.db2.gz UPGWEMVDPJIXSM-UHFFFAOYSA-N 1 1 219.332 1.325 10 0 BDAEMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](C)C1 ZINC000260601645 349737703 /nfs/dbraw/zinc/73/77/03/349737703.db2.gz RBAKFKVPGWYULL-CHWSQXEVSA-N 1 1 233.311 1.895 10 0 BDAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC000176986675 346920181 /nfs/dbraw/zinc/92/01/81/346920181.db2.gz CFTWXLFWRUSNHV-GFCCVEGCSA-N 1 1 236.315 1.836 10 0 BDAEMO COc1ccc(OC)c2c(N)c(N)c[nH+]c12 ZINC000584882548 343085098 /nfs/dbraw/zinc/08/50/98/343085098.db2.gz KGXWCHWHJUWLNI-UHFFFAOYSA-N 1 1 219.244 1.247 10 0 BDAEMO CCOC(=O)C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000249027045 136273695 /nfs/dbraw/zinc/27/36/95/136273695.db2.gz LBLDMNBKPOZOOW-HBNTYKKESA-N 1 1 227.304 1.097 10 0 BDAEMO CC(C)(C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000070266422 343319035 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204.277 1.043 10 0 BDAEMO Nc1ccnc(C[N@H+]2C[C@@H]3CCC[C@H]32)n1 ZINC000309079774 349855210 /nfs/dbraw/zinc/85/52/10/349855210.db2.gz OAARVFZVZYTZMD-DTWKUNHWSA-N 1 1 204.277 1.043 10 0 BDAEMO CNc1cc(NCc2cccnc2)[nH+]c(C)n1 ZINC000128687448 343787243 /nfs/dbraw/zinc/78/72/43/343787243.db2.gz SWIOGUXPPBRDBI-UHFFFAOYSA-N 1 1 229.287 1.834 10 0 BDAEMO CCOC(=O)c1ccc(-n2cc[nH+]c2C)nn1 ZINC000409427114 343799993 /nfs/dbraw/zinc/79/99/93/343799993.db2.gz HNCIGZPEXXERNZ-UHFFFAOYSA-N 1 1 232.243 1.147 10 0 BDAEMO COC[C@H]1CN(c2ccc(N)c[nH+]2)CC1(C)C ZINC000409425916 343820719 /nfs/dbraw/zinc/82/07/19/343820719.db2.gz BENVKRKPSSXRFZ-SNVBAGLBSA-N 1 1 235.331 1.773 10 0 BDAEMO Nc1ccc[nH+]c1N1CCC(CCO)CC1 ZINC000401121484 343811543 /nfs/dbraw/zinc/81/15/43/343811543.db2.gz JOAUEDJARXLMGM-UHFFFAOYSA-N 1 1 221.304 1.263 10 0 BDAEMO C[N@H+]1C[C@H](CO)C[C@@H]1c1ccccc1F ZINC000409439864 343853308 /nfs/dbraw/zinc/85/33/08/343853308.db2.gz JGPUGYPSQXGIRG-BXKDBHETSA-N 1 1 209.264 1.811 10 0 BDAEMO CC[C@@H]1CN(c2[nH+]cccc2N)CC[C@@H]1O ZINC000409436310 343838550 /nfs/dbraw/zinc/83/85/50/343838550.db2.gz ZEIZVRITSFEWHI-KOLCDFICSA-N 1 1 221.304 1.261 10 0 BDAEMO CCc1n[nH]c(C(F)(F)F)c1CCC(N)=[NH2+] ZINC000409437496 343843902 /nfs/dbraw/zinc/84/39/02/343843902.db2.gz HEUXZDZTPZGNFZ-UHFFFAOYSA-N 1 1 234.225 1.859 10 0 BDAEMO [NH3+]Cc1c(C2CC2)n[nH]c1C1CCOCC1 ZINC000409437965 343849490 /nfs/dbraw/zinc/84/94/90/343849490.db2.gz BGVXFQRGJMCFJH-UHFFFAOYSA-N 1 1 221.304 1.640 10 0 BDAEMO Cc1cnc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)o1 ZINC000625456809 343858943 /nfs/dbraw/zinc/85/89/43/343858943.db2.gz GEFKRGJMKFPRCI-VHSXEESVSA-N 1 1 210.277 1.328 10 0 BDAEMO Cc1cnc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)o1 ZINC000625456809 343858944 /nfs/dbraw/zinc/85/89/44/343858944.db2.gz GEFKRGJMKFPRCI-VHSXEESVSA-N 1 1 210.277 1.328 10 0 BDAEMO [NH3+]Cc1noc([C@H](c2ccc[nH]2)n2cccc2)n1 ZINC000409442570 343858960 /nfs/dbraw/zinc/85/89/60/343858960.db2.gz XDXIDRXDLVJLMO-NSHDSACASA-N 1 1 243.270 1.296 10 0 BDAEMO CCN1CCC[C@H]([NH2+][C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000345363694 343909777 /nfs/dbraw/zinc/90/97/77/343909777.db2.gz WHNFSEROLFOWDY-RWMBFGLXSA-N 1 1 248.374 1.963 10 0 BDAEMO C[NH2+][C@H](CN)c1cncc(Br)c1 ZINC000135129175 343940235 /nfs/dbraw/zinc/94/02/35/343940235.db2.gz WMMHEJGERUMIEK-MRVPVSSYSA-N 1 1 230.109 1.063 10 0 BDAEMO C[C@@H]1C[N@H+](CC(N)=S)C[C@H](C)S1 ZINC000069908517 343944455 /nfs/dbraw/zinc/94/44/55/343944455.db2.gz NBNXYRJJUCRKBO-KNVOCYPGSA-N 1 1 204.364 1.098 10 0 BDAEMO C[N@@H+](C1CCC1)[C@]1(CN)CCCSC1 ZINC000127219497 344042433 /nfs/dbraw/zinc/04/24/33/344042433.db2.gz FTBAGJWKNMYXBL-NSHDSACASA-N 1 1 214.378 1.695 10 0 BDAEMO CN(C1CCC1)[C@]1(C[NH3+])CCCSC1 ZINC000127219497 344042434 /nfs/dbraw/zinc/04/24/34/344042434.db2.gz FTBAGJWKNMYXBL-NSHDSACASA-N 1 1 214.378 1.695 10 0 BDAEMO CC(=O)[C@@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000135214817 343968684 /nfs/dbraw/zinc/96/86/84/343968684.db2.gz QXZXVJLRKZQWNS-MRVPVSSYSA-N 1 1 201.335 1.791 10 0 BDAEMO 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C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(N)=S ZINC000307388878 352548121 /nfs/dbraw/zinc/54/81/21/352548121.db2.gz PDSBVGQMLHVJFN-PWSUYJOCSA-N 1 1 249.383 1.340 10 0 BDAEMO C[C@@H]1CSC[C@H]1[N@@H+]1CCN[C@H](C)C1 ZINC000307409210 352585270 /nfs/dbraw/zinc/58/52/70/352585270.db2.gz FJMOLTMCOOFFHD-OPRDCNLKSA-N 1 1 200.351 1.032 10 0 BDAEMO C[C@@H]1CSC[C@H]1[N@H+]1CCN[C@H](C)C1 ZINC000307409210 352585274 /nfs/dbraw/zinc/58/52/74/352585274.db2.gz FJMOLTMCOOFFHD-OPRDCNLKSA-N 1 1 200.351 1.032 10 0 BDAEMO CSC(C)(C)[C@@H](O)c1c[nH+]c(C)n1C ZINC000307542704 352646069 /nfs/dbraw/zinc/64/60/69/352646069.db2.gz UCUWDHXDTZMVHO-VIFPVBQESA-N 1 1 214.334 1.904 10 0 BDAEMO c1cnn(CC2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000111229225 187806771 /nfs/dbraw/zinc/80/67/71/187806771.db2.gz ZFWYTPYJVFISAG-UHFFFAOYSA-N 1 1 245.330 1.518 10 0 BDAEMO Nc1[nH+]c(Br)cn1C1CC1 ZINC000307631435 352722805 /nfs/dbraw/zinc/72/28/05/352722805.db2.gz OTCOSAPWTAYREQ-UHFFFAOYSA-N 1 1 202.055 1.563 10 0 BDAEMO 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ZINC000043537905 173045618 /nfs/dbraw/zinc/04/56/18/173045618.db2.gz KWKMECNBFNYDPP-QMMMGPOBSA-N 1 1 226.711 1.636 10 0 BDAEMO C[N@H+]1CCC[C@H]1CCOc1ccncc1N ZINC000040240457 173053816 /nfs/dbraw/zinc/05/38/16/173053816.db2.gz LQUIYCCDBWOVED-JTQLQIEISA-N 1 1 221.304 1.527 10 0 BDAEMO C[N@H+]1CCC[C@H]1COC(=O)c1ccccc1 ZINC000039203857 173055408 /nfs/dbraw/zinc/05/54/08/173055408.db2.gz PXVQMUATEFMGFD-LBPRGKRZSA-N 1 1 219.284 1.938 10 0 BDAEMO CN1CCN(C[C@@H]([NH3+])c2cccc(F)c2)CC1 ZINC000019270014 173085311 /nfs/dbraw/zinc/08/53/11/173085311.db2.gz PDWWYOGIXUIPLE-CYBMUJFWSA-N 1 1 237.322 1.073 10 0 BDAEMO C[NH+]1CCN(NCc2cccc(F)c2)CC1 ZINC000075436108 173092675 /nfs/dbraw/zinc/09/26/75/173092675.db2.gz QAOGYOILHTVWCT-UHFFFAOYSA-N 1 1 223.295 1.078 10 0 BDAEMO CN1CCN([C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000023069998 173093573 /nfs/dbraw/zinc/09/35/73/173093573.db2.gz IUYIXXSHWXFJDF-CHWSQXEVSA-N 1 1 225.380 1.284 10 0 BDAEMO C[NH+]1CCN(NCc2ccc(F)cc2F)CC1 ZINC000075424196 173093583 /nfs/dbraw/zinc/09/35/83/173093583.db2.gz NQRMIVHPQXLIKU-UHFFFAOYSA-N 1 1 241.285 1.217 10 0 BDAEMO CN1CC[C@@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815697 173115654 /nfs/dbraw/zinc/11/56/54/173115654.db2.gz LBFUYAIJPIACGG-AWEZNQCLSA-N 1 1 248.370 1.997 10 0 BDAEMO C[N@H+]1CC[C@@H](CNCc2cscn2)C1 ZINC000040505206 173117327 /nfs/dbraw/zinc/11/73/27/173117327.db2.gz AJSPUYYJGPSUHH-VIFPVBQESA-N 1 1 211.334 1.184 10 0 BDAEMO C[N@H+]1CC[C@@H](CNc2ncccc2N)C1 ZINC000037655374 173117742 /nfs/dbraw/zinc/11/77/42/173117742.db2.gz PUIKWSOVKQTGOJ-VIFPVBQESA-N 1 1 206.293 1.027 10 0 BDAEMO C[N@H+]1CC[C@@H](Nc2ccc3scnc3c2N)C1 ZINC000042545038 173125592 /nfs/dbraw/zinc/12/55/92/173125592.db2.gz ZIIHLJCSZOSEMB-MRVPVSSYSA-N 1 1 248.355 1.995 10 0 BDAEMO C[N@@H+]1CC[C@@H](Nc2nsnc2Cl)C1 ZINC000042550001 173128070 /nfs/dbraw/zinc/12/80/70/173128070.db2.gz CNNDEEDIJBQKQU-RXMQYKEDSA-N 1 1 218.713 1.308 10 0 BDAEMO C[N@H+]1CC[C@@H](Nc2nsnc2Cl)C1 ZINC000042550001 173128072 /nfs/dbraw/zinc/12/80/72/173128072.db2.gz CNNDEEDIJBQKQU-RXMQYKEDSA-N 1 1 218.713 1.308 10 0 BDAEMO C[N@@H+]1CC[C@H](CNCc2ccsc2)C1 ZINC000037484656 173147706 /nfs/dbraw/zinc/14/77/06/173147706.db2.gz XMHYPQQLDKYWSH-SNVBAGLBSA-N 1 1 210.346 1.789 10 0 BDAEMO C[N@H+]1CC[C@H](CNCc2ccsc2)C1 ZINC000037484656 173147709 /nfs/dbraw/zinc/14/77/09/173147709.db2.gz XMHYPQQLDKYWSH-SNVBAGLBSA-N 1 1 210.346 1.789 10 0 BDAEMO C[N@H+]1CC[C@@]2(CCN(c3cccnc3)C2)C1 ZINC000090504969 173142081 /nfs/dbraw/zinc/14/20/81/173142081.db2.gz ALQBQIXPAIIETO-CYBMUJFWSA-N 1 1 217.316 1.614 10 0 BDAEMO C[N@H+]1CC[C@H](CNCc2ccccc2F)C1 ZINC000037484728 173147228 /nfs/dbraw/zinc/14/72/28/173147228.db2.gz FVXPZQHVWJSEIK-LLVKDONJSA-N 1 1 222.307 1.867 10 0 BDAEMO CN1CC[C@H]([N@H+]2CCC[C@@H]2c2ccco2)C1=O ZINC000116288987 173150058 /nfs/dbraw/zinc/15/00/58/173150058.db2.gz GRLYSIOTVMFPON-MNOVXSKESA-N 1 1 234.299 1.647 10 0 BDAEMO C[N@H+]1CC[C@H](Nc2ccc(F)cc2N)C1 ZINC000042544867 173153792 /nfs/dbraw/zinc/15/37/92/173153792.db2.gz GLXVVHCOLQAFQW-VIFPVBQESA-N 1 1 209.268 1.524 10 0 BDAEMO C[N@H+]1CC[C@H](Nc2cccc(CO)c2)C1 ZINC000061985949 173155781 /nfs/dbraw/zinc/15/57/81/173155781.db2.gz IXWMBYRGBSYPSM-LBPRGKRZSA-N 1 1 206.289 1.295 10 0 BDAEMO C[N@H+]1CC[C@H](Nc2cccc(F)c2N)C1 ZINC000042545076 173156908 /nfs/dbraw/zinc/15/69/08/173156908.db2.gz VNIMMVLPPLWANQ-QMMMGPOBSA-N 1 1 209.268 1.524 10 0 BDAEMO CN1CC[C@](C[NH3+])(Nc2ccccc2)C1 ZINC000082643360 173162366 /nfs/dbraw/zinc/16/23/66/173162366.db2.gz XLBBVWPHPLGKOU-GFCCVEGCSA-N 1 1 205.305 1.132 10 0 BDAEMO C[N@H+]1CC[C@]2(CCCN2c2cccnc2)C1 ZINC000090504964 173163988 /nfs/dbraw/zinc/16/39/88/173163988.db2.gz LZPRBZUMUFPWFX-CYBMUJFWSA-N 1 1 217.316 1.756 10 0 BDAEMO CNC(=O)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000125819143 173273081 /nfs/dbraw/zinc/27/30/81/173273081.db2.gz KZMWDPHQKUVYCS-UHFFFAOYSA-N 1 1 248.326 1.276 10 0 BDAEMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229204203 173294083 /nfs/dbraw/zinc/29/40/83/173294083.db2.gz QOIBZHLMNQQJER-HTQZYQBOSA-N 1 1 238.253 1.395 10 0 BDAEMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229204203 173294084 /nfs/dbraw/zinc/29/40/84/173294084.db2.gz QOIBZHLMNQQJER-HTQZYQBOSA-N 1 1 238.253 1.395 10 0 BDAEMO C[NH2+]CCN(C)CCc1ccc2nc(C)[nH]c2c1 ZINC000077403815 173353253 /nfs/dbraw/zinc/35/32/53/173353253.db2.gz VXBDJOWMMULYPS-UHFFFAOYSA-N 1 1 246.358 1.565 10 0 BDAEMO C[NH2+]C[C@H](C)N1CCN(Cc2ccccc2)CC1 ZINC000052417078 173375978 /nfs/dbraw/zinc/37/59/78/173375978.db2.gz ZCGDPCQMODKEDN-AWEZNQCLSA-N 1 1 247.386 1.412 10 0 BDAEMO C[NH2+]C[C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000042335295 173378835 /nfs/dbraw/zinc/37/88/35/173378835.db2.gz IJOUMZDPQZHSKE-LLVKDONJSA-N 1 1 228.405 1.813 10 0 BDAEMO C[NH2+]Cc1c(C)nn(-c2ccncc2)c1C ZINC000040932590 173383945 /nfs/dbraw/zinc/38/39/45/173383945.db2.gz MSMXMENECCBFTK-UHFFFAOYSA-N 1 1 216.288 1.604 10 0 BDAEMO C[NH2+]Cc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000089195187 173396459 /nfs/dbraw/zinc/39/64/59/173396459.db2.gz MRWSPWYAEACNBD-UHFFFAOYSA-N 1 1 219.244 1.069 10 0 BDAEMO COC(=O)[C@@H](C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000049352197 173692347 /nfs/dbraw/zinc/69/23/47/173692347.db2.gz PMVBOFOOLXCNIJ-MRVPVSSYSA-N 1 1 245.282 1.790 10 0 BDAEMO COC1CCN([C@@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000043292256 174030256 /nfs/dbraw/zinc/03/02/56/174030256.db2.gz KRTKAFJQKQGWSA-PWSUYJOCSA-N 1 1 228.380 1.859 10 0 BDAEMO COC1CC[NH+](Cc2ccoc2CN)CC1 ZINC000052455249 174030335 /nfs/dbraw/zinc/03/03/35/174030335.db2.gz LKFIKDHIHAJWHF-UHFFFAOYSA-N 1 1 224.304 1.349 10 0 BDAEMO COCCCCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000121653505 174190879 /nfs/dbraw/zinc/19/08/79/174190879.db2.gz HRCLAXQLKIPPEK-LLVKDONJSA-N 1 1 238.335 1.758 10 0 BDAEMO COCCCN(CCOC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042421832 174226951 /nfs/dbraw/zinc/22/69/51/174226951.db2.gz CYOMIXWCNCCQDN-QWHCGFSZSA-N 1 1 244.379 1.241 10 0 BDAEMO COCC[N@@H+](C)CCn1cnc2cc(N)ccc21 ZINC000061380848 174278900 /nfs/dbraw/zinc/27/89/00/174278900.db2.gz XEKSRWYVPAYOEU-UHFFFAOYSA-N 1 1 248.330 1.197 10 0 BDAEMO COCCN(C)CC[C@@H]([NH3+])c1ccc(F)cc1 ZINC000053984529 174279488 /nfs/dbraw/zinc/27/94/88/174279488.db2.gz UTVPWPVYCZQDNA-CYBMUJFWSA-N 1 1 240.322 1.794 10 0 BDAEMO COCC[N@@H+](C)CCNc1cccc(F)c1N ZINC000061378111 174279824 /nfs/dbraw/zinc/27/98/24/174279824.db2.gz LOCIERJRPZAAAS-UHFFFAOYSA-N 1 1 241.310 1.398 10 0 BDAEMO COCC[N@@H+]([C@H](C)C1CC1)[C@@](C)(CN)C1CC1 ZINC000042615239 174302461 /nfs/dbraw/zinc/30/24/61/174302461.db2.gz VHZNSHBZTARLMH-RISCZKNCSA-N 1 1 240.391 1.861 10 0 BDAEMO COCC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178293567 174309053 /nfs/dbraw/zinc/30/90/53/174309053.db2.gz WCQRXZXNUQWHFR-LBPRGKRZSA-N 1 1 223.320 1.302 10 0 BDAEMO COCC[N@@H+]1C[C@H](C(C)C)NC[C@H]1C(C)C ZINC000062614018 174317891 /nfs/dbraw/zinc/31/78/91/174317891.db2.gz PBUIHJMEFJVYQR-OLZOCXBDSA-N 1 1 228.380 1.587 10 0 BDAEMO COCC[N@H+]1C[C@H](C(C)C)NC[C@H]1C(C)C ZINC000062614018 174317892 /nfs/dbraw/zinc/31/78/92/174317892.db2.gz PBUIHJMEFJVYQR-OLZOCXBDSA-N 1 1 228.380 1.587 10 0 BDAEMO COCC[C@@H](C)[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000090528192 174385573 /nfs/dbraw/zinc/38/55/73/174385573.db2.gz GHRVWKDBSHQNEO-NXEZZACHSA-N 1 1 225.336 1.664 10 0 BDAEMO COc1cc([C@@H]([NH3+])CN)cc(Cl)c1O ZINC000072200924 175014135 /nfs/dbraw/zinc/01/41/35/175014135.db2.gz RXGLHJGMZNEAJL-ZETCQYMHSA-N 1 1 216.668 1.013 10 0 BDAEMO COc1cc2c(c(OC)c1)CC[N@@H+](C)C2 ZINC000033835510 175019528 /nfs/dbraw/zinc/01/95/28/175019528.db2.gz JETSDVLQDVDSGQ-UHFFFAOYSA-N 1 1 207.273 1.692 10 0 BDAEMO COc1ccc(-c2nnc3n2CC[NH2+][C@H]3C)cc1 ZINC000053710770 175042245 /nfs/dbraw/zinc/04/22/45/175042245.db2.gz SXHXGWTZTDNVIW-VIFPVBQESA-N 1 1 244.298 1.618 10 0 BDAEMO COc1ccc(C)cc1-c1nc(C[NH3+])no1 ZINC000052944011 175072027 /nfs/dbraw/zinc/07/20/27/175072027.db2.gz OGJBAMMPENJQFV-UHFFFAOYSA-N 1 1 219.244 1.512 10 0 BDAEMO COc1ccc(F)cc1[C@H](C)[NH2+]C1COC1 ZINC000087597029 175133869 /nfs/dbraw/zinc/13/38/69/175133869.db2.gz PWQJCOVRNSDYFB-QMMMGPOBSA-N 1 1 225.263 1.884 10 0 BDAEMO COc1ccc([C@@H]2C[N@@H+](C3CC3)CCN2)cc1 ZINC000056894871 175183575 /nfs/dbraw/zinc/18/35/75/175183575.db2.gz NQLUUAWZZBECID-AWEZNQCLSA-N 1 1 232.327 1.804 10 0 BDAEMO COc1ccc([C@@H]2C[N@H+](C3CC3)CCN2)cc1 ZINC000056894871 175183576 /nfs/dbraw/zinc/18/35/76/175183576.db2.gz NQLUUAWZZBECID-AWEZNQCLSA-N 1 1 232.327 1.804 10 0 BDAEMO COc1ccc([C@H]2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000095933256 175194667 /nfs/dbraw/zinc/19/46/67/175194667.db2.gz JSBAFOFGMZILQA-TZMCWYRMSA-N 1 1 235.327 1.723 10 0 BDAEMO COc1cccc(F)c1-c1nnc(C[NH3+])o1 ZINC000083352406 175273834 /nfs/dbraw/zinc/27/38/34/175273834.db2.gz OQLJRAKPNJANON-UHFFFAOYSA-N 1 1 223.207 1.343 10 0 BDAEMO COc1cccc(NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000104120756 175279182 /nfs/dbraw/zinc/27/91/82/175279182.db2.gz CVOYWGKKTXQXLC-LLVKDONJSA-N 1 1 247.342 1.986 10 0 BDAEMO COc1cccc(OC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000049828797 175280435 /nfs/dbraw/zinc/28/04/35/175280435.db2.gz WWRMYOMJOMSFNP-LBPRGKRZSA-N 1 1 237.299 1.974 10 0 BDAEMO COc1cccc([C@@H]2C[N@@H+](C3CC3)CCN2)c1 ZINC000056894888 175290605 /nfs/dbraw/zinc/29/06/05/175290605.db2.gz TYWLJWKRNDCGIX-AWEZNQCLSA-N 1 1 232.327 1.804 10 0 BDAEMO COc1cccc([C@@H]2C[N@H+](C3CC3)CCN2)c1 ZINC000056894888 175290607 /nfs/dbraw/zinc/29/06/07/175290607.db2.gz TYWLJWKRNDCGIX-AWEZNQCLSA-N 1 1 232.327 1.804 10 0 BDAEMO COc1cccc([C@H]([NH3+])c2noc(C)n2)c1 ZINC000036762335 175295324 /nfs/dbraw/zinc/29/53/24/175295324.db2.gz SEJMZHJPVYEYMT-JTQLQIEISA-N 1 1 219.244 1.435 10 0 BDAEMO COc1cccc2cc(-c3noc(C[NH3+])n3)oc21 ZINC000049474321 175306260 /nfs/dbraw/zinc/30/62/60/175306260.db2.gz LEQKQBCIBJGCLJ-UHFFFAOYSA-N 1 1 245.238 1.950 10 0 BDAEMO COc1nc(C)c(CNCC[NH+](C)C)s1 ZINC000045205512 175389081 /nfs/dbraw/zinc/38/90/81/175389081.db2.gz CLYSBMGMZOHBLW-UHFFFAOYSA-N 1 1 229.349 1.111 10 0 BDAEMO C[C@@H](c1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC000019731166 176015811 /nfs/dbraw/zinc/01/58/11/176015811.db2.gz DXRYIPKRIYNJOX-NSHDSACASA-N 1 1 219.332 1.577 10 0 BDAEMO C[C@@H](c1ccc(N)cc1)[N@H+]1CC[C@H](O)C1 ZINC000061709761 176016124 /nfs/dbraw/zinc/01/61/24/176016124.db2.gz WSWLCZFDZABHRT-CABZTGNLSA-N 1 1 206.289 1.396 10 0 BDAEMO C[C@@H](c1nccs1)[N@H+]1CC[C@@H](CO)C1 ZINC000100248446 176039258 /nfs/dbraw/zinc/03/92/58/176039258.db2.gz RSQKOCBODUBLMY-DTWKUNHWSA-N 1 1 212.318 1.518 10 0 BDAEMO C[C@@H]1CCC(=O)[C@H](C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000053924613 176060919 /nfs/dbraw/zinc/06/09/19/176060919.db2.gz JELPCSSXLCQPIV-AGIUHOORSA-N 1 1 239.359 1.696 10 0 BDAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](CN)[C@@H]1CCOC1 ZINC000042606829 176078412 /nfs/dbraw/zinc/07/84/12/176078412.db2.gz UGBOBJWYAZSABV-MQYQWHSLSA-N 1 1 240.391 1.861 10 0 BDAEMO C[C@@H]1CCCC[C@@]1(C[NH3+])N1CCN(C)CC1 ZINC000019435306 176083639 /nfs/dbraw/zinc/08/36/39/176083639.db2.gz FAZWFZCWQAGAJL-OLZOCXBDSA-N 1 1 225.380 1.141 10 0 BDAEMO C[C@@H]1CCC[N@@H+](CCCn2ccc(N)n2)CC1 ZINC000104364570 176098599 /nfs/dbraw/zinc/09/85/99/176098599.db2.gz SAXKEKAGHZTMNN-GFCCVEGCSA-N 1 1 236.363 1.977 10 0 BDAEMO C[C@@H]1CC[N@@H+](CCCn2ccc(N)n2)[C@H](C)C1 ZINC000071352461 176171365 /nfs/dbraw/zinc/17/13/65/176171365.db2.gz YZULYVPNPBJXOO-VXGBXAGGSA-N 1 1 236.363 1.976 10 0 BDAEMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cnn[nH]3)C2)C1 ZINC000336276485 176218851 /nfs/dbraw/zinc/21/88/51/176218851.db2.gz QTKOOSALCLKIEX-ZYHUDNBSSA-N 1 1 220.320 1.817 10 0 BDAEMO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3c[nH]nn3)C2)C1 ZINC000336276485 176218852 /nfs/dbraw/zinc/21/88/52/176218852.db2.gz QTKOOSALCLKIEX-ZYHUDNBSSA-N 1 1 220.320 1.817 10 0 BDAEMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3c[nH]nn3)C2)C1 ZINC000336276485 176218853 /nfs/dbraw/zinc/21/88/53/176218853.db2.gz QTKOOSALCLKIEX-ZYHUDNBSSA-N 1 1 220.320 1.817 10 0 BDAEMO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cccnc1 ZINC000042427384 176223821 /nfs/dbraw/zinc/22/38/21/176223821.db2.gz YUCCHUAENAWAOM-VXGBXAGGSA-N 1 1 219.332 1.641 10 0 BDAEMO C[C@@H]1CN(C2CCCCCC2)C[C@H](C[NH3+])O1 ZINC000071532962 176283170 /nfs/dbraw/zinc/28/31/70/176283170.db2.gz IVXJAOYUURNWBL-YPMHNXCESA-N 1 1 226.364 1.757 10 0 BDAEMO C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2)C[C@@H]1N(C)C ZINC000124744543 176299775 /nfs/dbraw/zinc/29/97/75/176299775.db2.gz RVUSLEONDNFOQH-SNPRPXQTSA-N 1 1 248.370 1.602 10 0 BDAEMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2)C[C@@H]1N(C)C ZINC000124744543 176299777 /nfs/dbraw/zinc/29/97/77/176299777.db2.gz RVUSLEONDNFOQH-SNPRPXQTSA-N 1 1 248.370 1.602 10 0 BDAEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1COC1 ZINC000287832484 176305731 /nfs/dbraw/zinc/30/57/31/176305731.db2.gz VTJNDRVXOPLTID-DOMZBBRYSA-N 1 1 246.354 1.495 10 0 BDAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1COC1 ZINC000287832484 176305732 /nfs/dbraw/zinc/30/57/32/176305732.db2.gz VTJNDRVXOPLTID-DOMZBBRYSA-N 1 1 246.354 1.495 10 0 BDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccon1 ZINC000083119708 176322458 /nfs/dbraw/zinc/32/24/58/176322458.db2.gz PULQTPSIXYHKMD-ZYHUDNBSSA-N 1 1 221.304 1.343 10 0 BDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cncc(F)c1 ZINC000274320726 176322884 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/nfs/dbraw/zinc/00/23/22/177002322.db2.gz AHPUQWXFMXMMOC-NWDGAFQWSA-N 1 1 214.353 1.173 10 0 BDAEMO C[C@H](O)C[C@H]1CCC[N@H+]1CCCN(C)C ZINC000122217268 177002323 /nfs/dbraw/zinc/00/23/23/177002323.db2.gz AHPUQWXFMXMMOC-NWDGAFQWSA-N 1 1 214.353 1.173 10 0 BDAEMO C[C@H](c1cnn(C)c1)N1CCC[C@H](C[NH3+])C1 ZINC000084494224 177052694 /nfs/dbraw/zinc/05/26/94/177052694.db2.gz DLAIFLXDJGYWGE-GHMZBOCLSA-N 1 1 222.336 1.152 10 0 BDAEMO C[C@H]1CCC(=O)[C@@H](C[N@H+]2CC[C@H](N(C)C)C2)C1 ZINC000062969666 177069059 /nfs/dbraw/zinc/06/90/59/177069059.db2.gz LXQTVRZYKYGTIO-XQQFMLRXSA-N 1 1 238.375 1.628 10 0 BDAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCn1ccc(N)n1 ZINC000071378145 177087029 /nfs/dbraw/zinc/08/70/29/177087029.db2.gz COCVLRFYIIESAE-NWDGAFQWSA-N 1 1 236.363 1.976 10 0 BDAEMO C[C@@H]1[C@@H](C)CCC[N@@H+]1C1(CN)CCOCC1 ZINC000050563767 177096299 /nfs/dbraw/zinc/09/62/99/177096299.db2.gz SCWXQIDIULWSHY-NWDGAFQWSA-N 1 1 226.364 1.615 10 0 BDAEMO C[C@H]1CCC[N@H+]1C1(CN)CCSCC1 ZINC000042335134 177109373 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OC[C@@H]1CCCCC[N@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000383899663 487680969 /nfs/dbraw/zinc/68/09/69/487680969.db2.gz NMMSBPISHOILGM-RDBSUJKOSA-N 1 1 241.375 1.774 10 0 BDAEMO Cc1cnccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000528517575 262940525 /nfs/dbraw/zinc/94/05/25/262940525.db2.gz ASHVUEMDGSMXQP-KKUMJFAQSA-N 1 1 246.354 1.983 10 0 BDAEMO C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2O)CC(C)(C)O1 ZINC000226283438 487706953 /nfs/dbraw/zinc/70/69/53/487706953.db2.gz PTAJBEKOYNUWAG-GMTAPVOTSA-N 1 1 213.321 1.399 10 0 BDAEMO CCN1CCC[N@@H+](C[C@@H](O)C(C)(C)C)[C@@H](C)C1 ZINC000319952700 487708566 /nfs/dbraw/zinc/70/85/66/487708566.db2.gz HWMOAUTWOXWMHG-QWHCGFSZSA-N 1 1 242.407 1.810 10 0 BDAEMO COc1ccc(CN[C@@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000400508148 533686687 /nfs/dbraw/zinc/68/66/87/533686687.db2.gz KQZOVANXOCEOPP-CMPLNLGQSA-N 1 1 235.331 1.178 10 0 BDAEMO C[C@@H]1[C@H](O)CCC[N@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000384758231 487743819 /nfs/dbraw/zinc/74/38/19/487743819.db2.gz ACUFQGVXAIIUDB-YVECIDJPSA-N 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208.305 1.772 10 0 BDAEMO Cc1conc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000720370223 712836200 /nfs/dbraw/zinc/83/62/00/712836200.db2.gz UDNFKZNONOUYCJ-GXSJLCMTSA-N 1 1 210.277 1.328 10 0 BDAEMO Cc1conc1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000720370223 712836201 /nfs/dbraw/zinc/83/62/01/712836201.db2.gz UDNFKZNONOUYCJ-GXSJLCMTSA-N 1 1 210.277 1.328 10 0 BDAEMO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)C1(Cl)CC1 ZINC000720612148 712859149 /nfs/dbraw/zinc/85/91/49/712859149.db2.gz OZHRADJOJJINKZ-JGVFFNPUSA-N 1 1 228.727 1.626 10 0 BDAEMO CC[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCSC2 ZINC000685953401 538897723 /nfs/dbraw/zinc/89/77/23/538897723.db2.gz GYASZIBAZWSENH-ZJUUUORDSA-N 1 1 200.351 1.305 10 0 BDAEMO CCN1CC[C@@H]([NH3+])[C@@]12CCCSC2 ZINC000685953401 538897724 /nfs/dbraw/zinc/89/77/24/538897724.db2.gz GYASZIBAZWSENH-ZJUUUORDSA-N 1 1 200.351 1.305 10 0 BDAEMO CC[N@@H+]1CC[C@@H](N)[C@@]12CCCSC2 ZINC000685953401 538897725 /nfs/dbraw/zinc/89/77/25/538897725.db2.gz GYASZIBAZWSENH-ZJUUUORDSA-N 1 1 200.351 1.305 10 0 BDAEMO CC[N@H+]1CC[C@@H](N)[C@@]12CCCSC2 ZINC000685953401 538897726 /nfs/dbraw/zinc/89/77/26/538897726.db2.gz GYASZIBAZWSENH-ZJUUUORDSA-N 1 1 200.351 1.305 10 0 BDAEMO CCC[N@@H+]1CC[C@@H](N)[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955097 538899776 /nfs/dbraw/zinc/89/97/76/538899776.db2.gz SVAUVUOTFVCPRE-XQHKEYJVSA-N 1 1 226.364 1.756 10 0 BDAEMO CCC[N@H+]1CC[C@@H](N)[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955097 538899777 /nfs/dbraw/zinc/89/97/77/538899777.db2.gz SVAUVUOTFVCPRE-XQHKEYJVSA-N 1 1 226.364 1.756 10 0 BDAEMO CNCC(F)(F)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000685955609 538901067 /nfs/dbraw/zinc/90/10/67/538901067.db2.gz KXCPYJYGMWCVIE-RKDXNWHRSA-N 1 1 204.264 1.183 10 0 BDAEMO C[NH2+]CC(F)(F)CN1C[C@H]2CCC[C@H]21 ZINC000685956876 538901562 /nfs/dbraw/zinc/90/15/62/538901562.db2.gz LWJJRQKCNJPDMK-RKDXNWHRSA-N 1 1 204.264 1.325 10 0 BDAEMO CC[NH2+]CC(F)(F)CN1CCC[C@H]1C ZINC000685956323 538902052 /nfs/dbraw/zinc/90/20/52/538902052.db2.gz CFBWVVCMYZXWHT-SECBINFHSA-N 1 1 206.280 1.716 10 0 BDAEMO CC(C)[NH2+]CC(F)(F)CN1CC=CC1 ZINC000685956417 538903058 /nfs/dbraw/zinc/90/30/58/538903058.db2.gz ASJLDWILFLESBJ-UHFFFAOYSA-N 1 1 204.264 1.492 10 0 BDAEMO C[NH2+]CC(F)(F)COC[C@H](C)CSC ZINC000685957011 538903766 /nfs/dbraw/zinc/90/37/66/538903766.db2.gz PLGYGZWWNJINFC-QMMMGPOBSA-N 1 1 227.320 1.857 10 0 BDAEMO CC[NH2+]CC(F)(F)CN1C[C@H](C)[C@H]1C ZINC000685957792 538904991 /nfs/dbraw/zinc/90/49/91/538904991.db2.gz GGPPJVYFZFZRKY-DTWKUNHWSA-N 1 1 206.280 1.571 10 0 BDAEMO CC[NH2+]CC(F)(F)CN1C[C@H](C)[C@@H]1C ZINC000685957793 538905065 /nfs/dbraw/zinc/90/50/65/538905065.db2.gz GGPPJVYFZFZRKY-IUCAKERBSA-N 1 1 206.280 1.571 10 0 BDAEMO C[NH2+]CC(F)(F)CN1CCS[C@H](C)C1 ZINC000685958212 538905220 /nfs/dbraw/zinc/90/52/20/538905220.db2.gz ULJICHWXADZCIP-MRVPVSSYSA-N 1 1 224.320 1.278 10 0 BDAEMO CNCC(F)(F)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000685957950 538905314 /nfs/dbraw/zinc/90/53/14/538905314.db2.gz MFCPVPHDWDXOPO-DTWKUNHWSA-N 1 1 206.280 1.571 10 0 BDAEMO CNCC(F)(F)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000685957950 538905315 /nfs/dbraw/zinc/90/53/15/538905315.db2.gz MFCPVPHDWDXOPO-DTWKUNHWSA-N 1 1 206.280 1.571 10 0 BDAEMO COC(=O)[C@@H](C)[NH2+]C[C@H](C)CC(C)(C)OC ZINC000685961073 538907960 /nfs/dbraw/zinc/90/79/60/538907960.db2.gz ODEBAYCYPDQGLW-NXEZZACHSA-N 1 1 231.336 1.589 10 0 BDAEMO CC(C)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685961868 538909199 /nfs/dbraw/zinc/90/91/99/538909199.db2.gz OWUDPCLDQKZFNA-ZDUSSCGKSA-N 1 1 234.343 1.671 10 0 BDAEMO CC(C)C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000685961868 538909202 /nfs/dbraw/zinc/90/92/02/538909202.db2.gz OWUDPCLDQKZFNA-ZDUSSCGKSA-N 1 1 234.343 1.671 10 0 BDAEMO C[C@H]1C[NH+](CCOCC(F)F)C[C@H](C)O1 ZINC000188573758 349487357 /nfs/dbraw/zinc/48/73/57/349487357.db2.gz ANCHRLKDNRRQMU-IUCAKERBSA-N 1 1 223.263 1.377 10 0 BDAEMO CCC(CC)(CO)C[N@@H+](C)[C@H]1CCCN(C)C1 ZINC000053249002 168327211 /nfs/dbraw/zinc/32/72/11/168327211.db2.gz PQODJWALQDSERD-ZDUSSCGKSA-N 1 1 242.407 1.811 10 0 BDAEMO Cc1cc(C[NH2+]Cc2cc[nH]n2)c(C)n1C ZINC000052790438 178027804 /nfs/dbraw/zinc/02/78/04/178027804.db2.gz QVAGCOPHGAJSNR-UHFFFAOYSA-N 1 1 218.304 1.655 10 0 BDAEMO Cc1cc(N(CCO)C2CCCC2)nc(C)[nH+]1 ZINC000042525910 178102541 /nfs/dbraw/zinc/10/25/41/178102541.db2.gz DDDLTGJHBRCJMQ-UHFFFAOYSA-N 1 1 235.331 1.835 10 0 BDAEMO Cc1nnc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)o1 ZINC000309880045 136219939 /nfs/dbraw/zinc/21/99/39/136219939.db2.gz VCLJMLJAHDBRMG-KOLCDFICSA-N 1 1 225.292 1.019 10 0 BDAEMO Cc1cc(NC[C@@H]2CC[N@H+](C)C2)ccc1N ZINC000037484569 178166512 /nfs/dbraw/zinc/16/65/12/178166512.db2.gz RLQHPBGQMHFOIV-NSHDSACASA-N 1 1 219.332 1.941 10 0 BDAEMO CC(C)(C)[N@@H+]1CCO[C@H](c2cc[nH]n2)C1 ZINC000616648138 398221387 /nfs/dbraw/zinc/22/13/87/398221387.db2.gz RVGAPOYDRQWGEF-JTQLQIEISA-N 1 1 209.293 1.582 10 0 BDAEMO CC(C)(C)[N@H+]1CCO[C@H](c2cc[nH]n2)C1 ZINC000616648138 398221389 /nfs/dbraw/zinc/22/13/89/398221389.db2.gz RVGAPOYDRQWGEF-JTQLQIEISA-N 1 1 209.293 1.582 10 0 BDAEMO CCC(CC)C[N@@H+](CC)CC[C@@H](NC)C(N)=O ZINC000062461612 168349117 /nfs/dbraw/zinc/34/91/17/168349117.db2.gz ZJHSOQNDVMPSED-GFCCVEGCSA-N 1 1 243.395 1.208 10 0 BDAEMO Cc1ccc(-c2nnc([C@@H](C)[NH3+])o2)cc1O ZINC000050284380 178340440 /nfs/dbraw/zinc/34/04/40/178340440.db2.gz IPYHCLPHBDNJCJ-SSDOTTSWSA-N 1 1 219.244 1.770 10 0 BDAEMO CCC(CC)[N@@H+](C)CC[C@@H](NC1CC1)C(N)=O ZINC000062448892 168368610 /nfs/dbraw/zinc/36/86/10/168368610.db2.gz JHQRLGKCLAISKY-GFCCVEGCSA-N 1 1 241.379 1.103 10 0 BDAEMO CCC(CC)[N@@H+](CCOC)CC(C)(C)O ZINC000042681128 168373580 /nfs/dbraw/zinc/37/35/80/168373580.db2.gz DNHMEZABJDVOPL-UHFFFAOYSA-N 1 1 217.353 1.894 10 0 BDAEMO CCC(CC)[N@@H+](CCOC)C[C@H]1C[NH2+]C[C@@H]1C ZINC000104216430 168373973 /nfs/dbraw/zinc/37/39/73/168373973.db2.gz GJYXXJMCRTWHSF-QWHCGFSZSA-N 1 1 242.407 1.979 10 0 BDAEMO CN(C[C@@H](O)C[NH3+])C[C@@H]1CCCCC1(F)F ZINC000381724255 398270175 /nfs/dbraw/zinc/27/01/75/398270175.db2.gz RYIHNJBEZGSRDP-UWVGGRQHSA-N 1 1 236.306 1.063 10 0 BDAEMO c1ccc(CO[NH+]=C2N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000306643925 361831219 /nfs/dbraw/zinc/83/12/19/361831219.db2.gz YDGXYTBZVCUJOM-CHWSQXEVSA-N 1 1 245.326 1.978 10 0 BDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCn1cccn1 ZINC000113271373 398275966 /nfs/dbraw/zinc/27/59/66/398275966.db2.gz YSEXPAIWCOZECF-CHWSQXEVSA-N 1 1 234.347 1.052 10 0 BDAEMO C[N@H+]1CC[C@@H](c2ccccc2C(N)=O)C1 ZINC000616613129 349614360 /nfs/dbraw/zinc/61/43/60/349614360.db2.gz NBHMUCZRKYRURQ-SECBINFHSA-N 1 1 204.273 1.205 10 0 BDAEMO O=C1CCC[C@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@H]34 ZINC000004196458 342743631 /nfs/dbraw/zinc/74/36/31/342743631.db2.gz ZSBXGIUJOOQZMP-SFDCQRBFSA-N 1 1 248.370 1.872 10 0 biogenic,in-vitro BDAEMO CC1(C)C[N@H+]([C@@H]2C[C@@H]2CO)CCS1 ZINC000306659044 361869413 /nfs/dbraw/zinc/86/94/13/361869413.db2.gz JHDQLWDKCILDFR-RKDXNWHRSA-N 1 1 201.335 1.195 10 0 BDAEMO CC1(C)C[N@H+]([C@@H]2C[C@H]2CO)CCS1 ZINC000306659042 361869948 /nfs/dbraw/zinc/86/99/48/361869948.db2.gz JHDQLWDKCILDFR-DTWKUNHWSA-N 1 1 201.335 1.195 10 0 BDAEMO CC1(C)C[N@@H+](CCC2(O)CC2)[C@@H]2CCC[C@H]2O1 ZINC000336610839 342812548 /nfs/dbraw/zinc/81/25/48/342812548.db2.gz RACJDMQKLAHIGU-VXGBXAGGSA-N 1 1 239.359 1.933 10 0 BDAEMO CCS[C@@H]1CCN(CC(F)(F)C[NH3+])C1 ZINC000383294746 539011792 /nfs/dbraw/zinc/01/17/92/539011792.db2.gz XSBYJISLVJUMNQ-MRVPVSSYSA-N 1 1 224.320 1.408 10 0 BDAEMO CCCN(CC(F)F)CC(F)(F)C[NH3+] ZINC000386569783 539013471 /nfs/dbraw/zinc/01/34/71/539013471.db2.gz PUBVFGTXNKQHJO-UHFFFAOYSA-N 1 1 216.222 1.558 10 0 BDAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NCc2ccon2)C1 ZINC000381250232 538997287 /nfs/dbraw/zinc/99/72/87/538997287.db2.gz PEJIJLVRLHITDA-PWSUYJOCSA-N 1 1 223.320 1.493 10 0 BDAEMO CC[N@H+]1C[C@H](C)[C@H](Nc2ccncc2Cl)C1 ZINC000381344087 538998786 /nfs/dbraw/zinc/99/87/86/538998786.db2.gz YJZXCJVOXKSKNA-JOYOIKCWSA-N 1 1 239.750 1.909 10 0 BDAEMO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1cn[nH]c1 ZINC000386583716 539013776 /nfs/dbraw/zinc/01/37/76/539013776.db2.gz HYGKHYBGASTDCO-BFHYXJOUSA-N 1 1 249.358 1.925 10 0 BDAEMO C[N@H+]1CC[C@@H](Cn2cc(Cl)c(N)n2)C1 ZINC000709403012 539027371 /nfs/dbraw/zinc/02/73/71/539027371.db2.gz NNSIDWQOWLSMEK-SSDOTTSWSA-N 1 1 214.700 1.070 10 0 BDAEMO C[C@H]1C[C@@]2(C[N@@H+]1C)NCCc1occc12 ZINC000709943053 539027725 /nfs/dbraw/zinc/02/77/25/539027725.db2.gz GYBSVPHOKKTJJN-CABZTGNLSA-N 1 1 206.289 1.345 10 0 BDAEMO C[C@H]1C[C@@]2(C[N@H+]1C)NCCc1occc12 ZINC000709943053 539027726 /nfs/dbraw/zinc/02/77/26/539027726.db2.gz GYBSVPHOKKTJJN-CABZTGNLSA-N 1 1 206.289 1.345 10 0 BDAEMO Cc1nnc([C@@H](C)NC[C@H]2CCC[N@@H+]2C)s1 ZINC000391894547 398297725 /nfs/dbraw/zinc/29/77/25/398297725.db2.gz ARZPPFDIYGOOMX-PSASIEDQSA-N 1 1 240.376 1.591 10 0 BDAEMO Cc1nnc([C@@H](C)NC[C@H]2CCC[N@H+]2C)s1 ZINC000391894547 398297727 /nfs/dbraw/zinc/29/77/27/398297727.db2.gz ARZPPFDIYGOOMX-PSASIEDQSA-N 1 1 240.376 1.591 10 0 BDAEMO [NH3+]CC(F)(F)CN(CC1CC1)C1CC1 ZINC000389372170 539016251 /nfs/dbraw/zinc/01/62/51/539016251.db2.gz YIEVKMWZYGPVEM-UHFFFAOYSA-N 1 1 204.264 1.455 10 0 BDAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCOC(C)(C)C ZINC000399170853 398304739 /nfs/dbraw/zinc/30/47/39/398304739.db2.gz OCMJFTQHCIHRGJ-WDEREUQCSA-N 1 1 215.337 1.647 10 0 BDAEMO C[N@@H+](CCN1CCCCC1)[C@H]1CCC[C@@H]1O ZINC000352660410 398323406 /nfs/dbraw/zinc/32/34/06/398323406.db2.gz RPJGGGTYSOMDNA-STQMWFEESA-N 1 1 226.364 1.318 10 0 BDAEMO CN(CC[NH+]1CCCCC1)[C@H]1CCC[C@@H]1O ZINC000352660410 398323410 /nfs/dbraw/zinc/32/34/10/398323410.db2.gz RPJGGGTYSOMDNA-STQMWFEESA-N 1 1 226.364 1.318 10 0 BDAEMO CC[C@@H]1OCC[C@H]1c1nnc(C[NH3+])s1 ZINC000233970237 342914706 /nfs/dbraw/zinc/91/47/06/342914706.db2.gz FQAXMTZFHKSWBQ-RQJHMYQMSA-N 1 1 213.306 1.279 10 0 BDAEMO CCCCOC[C@@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650562 343061100 /nfs/dbraw/zinc/06/11/00/343061100.db2.gz OUSRPQYVXNRXRE-LBPRGKRZSA-N 1 1 238.331 1.938 10 0 BDAEMO CCOc1cc([C@H]([NH3+])CN)ccc1OC ZINC000072200757 343069739 /nfs/dbraw/zinc/06/97/39/343069739.db2.gz VWBTZDSUUWFGCW-SECBINFHSA-N 1 1 210.277 1.052 10 0 BDAEMO C[C@H](C(N)=S)[N@@H+](C)C1CCCCC1 ZINC000043513883 343115790 /nfs/dbraw/zinc/11/57/90/343115790.db2.gz PFXNJSGJNQPSKN-MRVPVSSYSA-N 1 1 200.351 1.926 10 0 BDAEMO NC(=O)CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000247710220 343123005 /nfs/dbraw/zinc/12/30/05/343123005.db2.gz IVKHMTKMMZHYLN-MNOVXSKESA-N 1 1 210.321 1.374 10 0 BDAEMO CC[C@@H](C)C(=O)[C@H]1CSCC[N@@H+]1C ZINC000233974471 343217336 /nfs/dbraw/zinc/21/73/36/343217336.db2.gz OMHKRUOLRLRPRJ-RKDXNWHRSA-N 1 1 201.335 1.649 10 0 BDAEMO CC[C@@H](C)C(=O)[C@H]1CSCC[N@H+]1C ZINC000233974471 343217338 /nfs/dbraw/zinc/21/73/38/343217338.db2.gz OMHKRUOLRLRPRJ-RKDXNWHRSA-N 1 1 201.335 1.649 10 0 BDAEMO Nc1nc([C@@H]2CSCC[NH2+]2)cs1 ZINC000165441028 343332904 /nfs/dbraw/zinc/33/29/04/343332904.db2.gz CDVUHTLGJIJGJV-YFKPBYRVSA-N 1 1 201.320 1.103 10 0 BDAEMO CC[C@](C)(O)C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621371404 343308656 /nfs/dbraw/zinc/30/86/56/343308656.db2.gz CJWCAHKIMMNULP-TUAOUCFPSA-N 1 1 215.337 1.098 10 0 BDAEMO OC[C@@H]1CSCC[N@H+]1C1CCCC1 ZINC000335629973 136300434 /nfs/dbraw/zinc/30/04/34/136300434.db2.gz QGYOGQUDCHHSTC-SNVBAGLBSA-N 1 1 201.335 1.339 10 0 BDAEMO CCc1nc(C2=CCC[N@@H+](C)C2)nn1CC ZINC000039102230 343384503 /nfs/dbraw/zinc/38/45/03/343384503.db2.gz KJWLMFKTYWKZSU-UHFFFAOYSA-N 1 1 220.320 1.579 10 0 BDAEMO COC[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247973949 136373653 /nfs/dbraw/zinc/37/36/53/136373653.db2.gz KGTTZCRLZZZUBQ-RWMBFGLXSA-N 1 1 227.348 1.648 10 0 BDAEMO CC[N@H+]1CC[C@@H](NCc2occc2C)C1 ZINC000336897191 136376470 /nfs/dbraw/zinc/37/64/70/136376470.db2.gz OWNRZHFDCJDLSV-LLVKDONJSA-N 1 1 208.305 1.772 10 0 BDAEMO CCOC(=O)[C@H]1COCCC[N@@H+]1C(C)(C)C ZINC000616646083 343530587 /nfs/dbraw/zinc/53/05/87/343530587.db2.gz NTMBLRLFRRTKPQ-SNVBAGLBSA-N 1 1 229.320 1.439 10 0 BDAEMO CCOC(=O)[C@H]1COCCC[N@H+]1C(C)(C)C ZINC000616646083 343530588 /nfs/dbraw/zinc/53/05/88/343530588.db2.gz NTMBLRLFRRTKPQ-SNVBAGLBSA-N 1 1 229.320 1.439 10 0 BDAEMO CCOC(=O)[C@@H]1COCC[N@H+](C(C)(C)C)C1 ZINC000616659922 343532889 /nfs/dbraw/zinc/53/28/89/343532889.db2.gz GQJAAAQVCLCWCP-JTQLQIEISA-N 1 1 229.320 1.296 10 0 BDAEMO c1cc2c(s1)[C@]1(CC[N@@H+]3CCC[C@H]31)NCC2 ZINC000712513192 537787419 /nfs/dbraw/zinc/78/74/19/537787419.db2.gz QBBAOHYQNPOFLW-WCQYABFASA-N 1 1 234.368 1.957 10 0 BDAEMO c1cc2c(s1)[C@]1(CCN3CCC[C@H]31)[NH2+]CC2 ZINC000712513192 537787424 /nfs/dbraw/zinc/78/74/24/537787424.db2.gz QBBAOHYQNPOFLW-WCQYABFASA-N 1 1 234.368 1.957 10 0 BDAEMO Cn1cnc([C@@H]2[NH2+]CCc3ccsc32)c1 ZINC000712542402 537792601 /nfs/dbraw/zinc/79/26/01/537792601.db2.gz JQCJGLOWDDRXHN-JTQLQIEISA-N 1 1 219.313 1.717 10 0 BDAEMO c1nc2c([nH]1)[C@H](c1cnsc1)[NH2+]CC2 ZINC000712923257 537796636 /nfs/dbraw/zinc/79/66/36/537796636.db2.gz KDKOYKDXFFZPJK-QMMMGPOBSA-N 1 1 206.274 1.101 10 0 BDAEMO CC[C@@H](O)C[N@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000309283101 343671721 /nfs/dbraw/zinc/67/17/21/343671721.db2.gz UQOJODBCVRJHAG-JHJVBQTASA-N 1 1 226.364 1.316 10 0 BDAEMO C[C@@H]1CC[N@@H+](C[Si](C)(C)C)C[C@@H]1N ZINC000401834544 343735767 /nfs/dbraw/zinc/73/57/67/343735767.db2.gz DKGROMFQRKJBTK-ZJUUUORDSA-N 1 1 200.402 1.533 10 0 BDAEMO C[C@@H]1CCN(C[Si](C)(C)C)C[C@@H]1[NH3+] ZINC000401834544 343735768 /nfs/dbraw/zinc/73/57/68/343735768.db2.gz DKGROMFQRKJBTK-ZJUUUORDSA-N 1 1 200.402 1.533 10 0 BDAEMO CCN(CC)C[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000093650213 537806226 /nfs/dbraw/zinc/80/62/26/537806226.db2.gz XHETVBNCBSLUQV-LLVKDONJSA-N 1 1 238.379 1.548 10 0 BDAEMO CSC1(C[N@H+]2CCNC(C)(C)C2)CC1 ZINC000235053173 343725598 /nfs/dbraw/zinc/72/55/98/343725598.db2.gz PDBQXZLHBIHAGM-UHFFFAOYSA-N 1 1 214.378 1.566 10 0 BDAEMO CSC1(CN2CC[NH2+]C(C)(C)C2)CC1 ZINC000235053173 343725600 /nfs/dbraw/zinc/72/56/00/343725600.db2.gz PDBQXZLHBIHAGM-UHFFFAOYSA-N 1 1 214.378 1.566 10 0 BDAEMO CN(c1[nH+]cccc1N)[C@H]1CCSC1 ZINC000037174411 343778332 /nfs/dbraw/zinc/77/83/32/343778332.db2.gz SXOUVCDIFUHPFV-QMMMGPOBSA-N 1 1 209.318 1.606 10 0 BDAEMO O=Cc1cn(C2C[NH+](C3CCCCC3)C2)nn1 ZINC000409426968 343799460 /nfs/dbraw/zinc/79/94/60/343799460.db2.gz SWQWANJFULNPSL-UHFFFAOYSA-N 1 1 234.303 1.280 10 0 BDAEMO Cc1nc(N)cc(N2CCC(F)(F)CC2)[nH+]1 ZINC000405014965 343812047 /nfs/dbraw/zinc/81/20/47/343812047.db2.gz CYYCNKSPFPDOGO-UHFFFAOYSA-N 1 1 228.246 1.603 10 0 BDAEMO CC(C)[N@H+]1CCOc2ccc(CO)cc2C1 ZINC000409422521 343813764 /nfs/dbraw/zinc/81/37/64/343813764.db2.gz HUGIDOONTNEDPG-UHFFFAOYSA-N 1 1 221.300 1.782 10 0 BDAEMO C[C@@H](O)[C@@H]1CCCCN1c1[nH+]cccc1N ZINC000409428424 343803772 /nfs/dbraw/zinc/80/37/72/343803772.db2.gz MNOXJBLGIPTEOC-KOLCDFICSA-N 1 1 221.304 1.404 10 0 BDAEMO COC[C@H](C)[N@@H+]1C[C@H](C)NCC[C@@H]1C ZINC000128393884 346987978 /nfs/dbraw/zinc/98/79/78/346987978.db2.gz XARJPOALGRMONI-DCAQKATOSA-N 1 1 200.326 1.094 10 0 BDAEMO COC[C@H](C)[N@H+]1C[C@H](C)NCC[C@@H]1C ZINC000128393884 346987980 /nfs/dbraw/zinc/98/79/80/346987980.db2.gz XARJPOALGRMONI-DCAQKATOSA-N 1 1 200.326 1.094 10 0 BDAEMO COC[C@H](C)N1C[C@H](C)[NH2+]CC[C@@H]1C ZINC000128393884 346987983 /nfs/dbraw/zinc/98/79/83/346987983.db2.gz XARJPOALGRMONI-DCAQKATOSA-N 1 1 200.326 1.094 10 0 BDAEMO CC(C)[C@@H](c1nc(C[NH3+])no1)n1cccc1 ZINC000409439994 343854041 /nfs/dbraw/zinc/85/40/41/343854041.db2.gz JHGNWODSXMECPZ-JTQLQIEISA-N 1 1 220.276 1.575 10 0 BDAEMO Nc1ccc[nH+]c1N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000409433013 343828677 /nfs/dbraw/zinc/82/86/77/343828677.db2.gz MCXLUGYVPPCNSX-MFKMUULPSA-N 1 1 233.315 1.263 10 0 BDAEMO CC(C)[N@@H+]1CCN[C@H](C2CCOCC2)C1 ZINC000409433552 343829146 /nfs/dbraw/zinc/82/91/46/343829146.db2.gz SNEXAAGJCUDOFO-LBPRGKRZSA-N 1 1 212.337 1.095 10 0 BDAEMO CC(C)[N@H+]1CCN[C@H](C2CCOCC2)C1 ZINC000409433552 343829148 /nfs/dbraw/zinc/82/91/48/343829148.db2.gz SNEXAAGJCUDOFO-LBPRGKRZSA-N 1 1 212.337 1.095 10 0 BDAEMO CCOC[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409433999 343831071 /nfs/dbraw/zinc/83/10/71/343831071.db2.gz ZMEWGMSQRYSZFW-NSHDSACASA-N 1 1 212.337 1.097 10 0 BDAEMO CCO[C@]1(C(F)(F)F)CC[N@@H+](CCO)C1 ZINC000409434493 343831555 /nfs/dbraw/zinc/83/15/55/343831555.db2.gz PLTNGPDSJZENEZ-MRVPVSSYSA-N 1 1 227.226 1.022 10 0 BDAEMO Nc1ccc(N2CC[C@H](O)[C@H](CCF)C2)[nH+]c1 ZINC000409435636 343834381 /nfs/dbraw/zinc/83/43/81/343834381.db2.gz VYOIXJBFZLDXGW-KOLCDFICSA-N 1 1 239.294 1.211 10 0 BDAEMO [NH3+]CCc1c(C2CC2)[nH]nc1C1CCOCC1 ZINC000409439547 343847360 /nfs/dbraw/zinc/84/73/60/343847360.db2.gz IWUYLMYYYOTLNR-UHFFFAOYSA-N 1 1 235.331 1.682 10 0 BDAEMO CCc1n[nH]c(C2CC2)c1CCC(N)=[NH2+] ZINC000409439448 343847535 /nfs/dbraw/zinc/84/75/35/343847535.db2.gz HXCBDAHBNANFLZ-UHFFFAOYSA-N 1 1 206.293 1.718 10 0 BDAEMO [NH2+]=C(NO)[C@H](c1ccccn1)N1CCCCC1 ZINC000409437689 343848409 /nfs/dbraw/zinc/84/84/09/343848409.db2.gz ATYAKSUWWNVHLV-NSHDSACASA-N 1 1 234.303 1.565 10 0 BDAEMO C[N@H+]1C[C@@H](CO)C[C@H]1c1ccc(F)cc1 ZINC000409437783 343848959 /nfs/dbraw/zinc/84/89/59/343848959.db2.gz BGACITNEZTWFQD-CABZTGNLSA-N 1 1 209.264 1.811 10 0 BDAEMO C[C@@H]1CCCCC[N@H+]1CCC(N)=S ZINC000069944890 343944677 /nfs/dbraw/zinc/94/46/77/343944677.db2.gz HDRAFMFHCCACRJ-SECBINFHSA-N 1 1 200.351 1.927 10 0 BDAEMO O[C@@H]1CCC[C@H]1[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778880 344072525 /nfs/dbraw/zinc/07/25/25/344072525.db2.gz RYVKTFKPBWLUJT-WRWGMCAJSA-N 1 1 227.373 1.870 10 0 BDAEMO C[C@@H]1CSCC[N@H+]1C[C@@H](O)COC(C)(C)C ZINC000247369747 344125735 /nfs/dbraw/zinc/12/57/35/344125735.db2.gz NNOVCBBFSSZDRR-GHMZBOCLSA-N 1 1 247.404 1.600 10 0 BDAEMO COC(=O)[C@@H]1CCCCN1C[C@@H]1CCC[N@H+]1C ZINC000395260862 344135432 /nfs/dbraw/zinc/13/54/32/344135432.db2.gz GGFBAZLOYYXDHE-RYUDHWBXSA-N 1 1 240.347 1.108 10 0 BDAEMO CC[C@@H]1[NH2+]CCn2c1nnc2C(F)(F)F ZINC000143631035 344142846 /nfs/dbraw/zinc/14/28/46/344142846.db2.gz ADESKFUWZPXYGF-YFKPBYRVSA-N 1 1 220.198 1.351 10 0 BDAEMO O[C@H]1CCC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000588896842 344197421 /nfs/dbraw/zinc/19/74/21/344197421.db2.gz UYZPZRPVDFMTOA-BDAKNGLRSA-N 1 1 232.287 1.673 10 0 BDAEMO CC[N@H+]1CCC[C@@H](CNC(F)(F)F)C1 ZINC000095091337 344332998 /nfs/dbraw/zinc/33/29/98/344332998.db2.gz RWQVWLRGFHOXIB-QMMMGPOBSA-N 1 1 210.243 1.828 10 0 BDAEMO C[NH+](C)Cc1cc(Br)no1 ZINC000145639858 344360509 /nfs/dbraw/zinc/36/05/09/344360509.db2.gz ZOUKOVUBIHURQX-UHFFFAOYSA-N 1 1 205.055 1.499 10 0 BDAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccnc(N)c1 ZINC000092669385 344301002 /nfs/dbraw/zinc/30/10/02/344301002.db2.gz KQOOIBLFOPHVTJ-CYBMUJFWSA-N 1 1 248.374 1.580 10 0 BDAEMO C[C@H]1CC[N@H+](C2CCC(=O)CC2)C[C@@H]1O ZINC000230361662 344543172 /nfs/dbraw/zinc/54/31/72/344543172.db2.gz QVLJDKGYFDVWHN-CABZTGNLSA-N 1 1 211.305 1.201 10 0 BDAEMO FC1(Cc2cn3ccsc3n2)C[NH2+]C1 ZINC000158133457 344550180 /nfs/dbraw/zinc/55/01/80/344550180.db2.gz LANAYXMGGFMKEN-UHFFFAOYSA-N 1 1 211.265 1.250 10 0 BDAEMO CC[N@H+]1CCC[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616617273 344558035 /nfs/dbraw/zinc/55/80/35/344558035.db2.gz LKVJBASCBUGAHF-ZDUSSCGKSA-N 1 1 232.327 1.985 10 0 BDAEMO CSC[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C ZINC000127701963 344611183 /nfs/dbraw/zinc/61/11/83/344611183.db2.gz ZPSQSJZDLOFLEE-IUCAKERBSA-N 1 1 201.335 1.791 10 0 BDAEMO CC(=O)C[C@H](C)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000127789166 344651722 /nfs/dbraw/zinc/65/17/22/344651722.db2.gz OIVFZKLOAUMGHZ-GARJFASQSA-N 1 1 212.337 1.378 10 0 BDAEMO CS[C@@H]1CCCC[C@@H]1N1CC[NH2+]CC1 ZINC000235047828 344750640 /nfs/dbraw/zinc/75/06/40/344750640.db2.gz WIXIRZCPYYNCAS-WDEREUQCSA-N 1 1 214.378 1.566 10 0 BDAEMO COc1cccc([C@@H]2[NH2+][C@H](C)CS2)n1 ZINC000235000454 344742610 /nfs/dbraw/zinc/74/26/10/344742610.db2.gz AASRPJHTQBLWFH-GMSGAONNSA-N 1 1 210.302 1.814 10 0 BDAEMO C[C@@H]1C[C@@H](N2CN=NC2=S)CC[N@H+]1C ZINC000158580684 344683143 /nfs/dbraw/zinc/68/31/43/344683143.db2.gz JQZBSBVJJJJRAB-SFYZADRCSA-N 1 1 212.322 1.222 10 0 BDAEMO CSc1nc[nH+]c(NN)c1Br ZINC000235076940 344764686 /nfs/dbraw/zinc/76/46/86/344764686.db2.gz QPQMDLDCAGCTQL-UHFFFAOYSA-N 1 1 235.110 1.247 10 0 BDAEMO CCCCOC[C@H](O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000248649117 537858420 /nfs/dbraw/zinc/85/84/20/537858420.db2.gz KPDGKVKQOUGEEM-DGCLKSJQSA-N 1 1 229.364 1.894 10 0 BDAEMO C[C@@H]1C[N@H+](C)CCN1c1nc(Cl)cs1 ZINC000235320546 344886552 /nfs/dbraw/zinc/88/65/52/344886552.db2.gz LJXKKSSVYNDENZ-SSDOTTSWSA-N 1 1 231.752 1.937 10 0 BDAEMO C[C@@H]1C[N@@H+](C)CCN1c1nc(Cl)cs1 ZINC000235320546 344886553 /nfs/dbraw/zinc/88/65/53/344886553.db2.gz LJXKKSSVYNDENZ-SSDOTTSWSA-N 1 1 231.752 1.937 10 0 BDAEMO CC[N@@H+]1CCC[C@H](NCc2nccs2)C1 ZINC000082394409 344905612 /nfs/dbraw/zinc/90/56/12/344905612.db2.gz MZIIJGZCLAQAQN-JTQLQIEISA-N 1 1 225.361 1.717 10 0 BDAEMO CC[N@H+]1CC[C@@H](Nc2cc(C3CC3)ncn2)C1 ZINC000641636611 362568637 /nfs/dbraw/zinc/56/86/37/362568637.db2.gz SOTFLVWHXXFXSK-LLVKDONJSA-N 1 1 232.331 1.860 10 0 BDAEMO CCCn1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634999074 345199597 /nfs/dbraw/zinc/19/95/97/345199597.db2.gz PQGBIPCBXFHUTA-AAEUAGOBSA-N 1 1 236.363 1.320 10 0 BDAEMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nn(C)cc1C=O ZINC000675054025 537890958 /nfs/dbraw/zinc/89/09/58/537890958.db2.gz MLDALACOWZOJHP-WDEREUQCSA-N 1 1 235.331 1.853 10 0 BDAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nn(C)cc1C=O ZINC000675054025 537890967 /nfs/dbraw/zinc/89/09/67/537890967.db2.gz MLDALACOWZOJHP-WDEREUQCSA-N 1 1 235.331 1.853 10 0 BDAEMO CSc1nc(N)cc(NCC(F)F)[nH+]1 ZINC000148225499 345354164 /nfs/dbraw/zinc/35/41/64/345354164.db2.gz VGIQAAQIAMGKPQ-UHFFFAOYSA-N 1 1 220.248 1.458 10 0 BDAEMO CC[N@H+]1CCC[C@@H](Nc2nnc(C)c(C)n2)C1 ZINC000159089091 345408315 /nfs/dbraw/zinc/40/83/15/345408315.db2.gz MKFFOVQIZWFEKZ-LLVKDONJSA-N 1 1 235.335 1.385 10 0 BDAEMO C[C@@H](CO)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000159146791 345413004 /nfs/dbraw/zinc/41/30/04/345413004.db2.gz ADESSKDANNKZCA-JQWIXIFHSA-N 1 1 221.300 1.303 10 0 BDAEMO O=c1cc(C2CC2)[nH]n1C[C@@H]1CCC[NH2+]1 ZINC000250783754 345487235 /nfs/dbraw/zinc/48/72/35/345487235.db2.gz TWAXYRZUGXGAAK-VIFPVBQESA-N 1 1 207.277 1.218 10 0 BDAEMO Nc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)ccn1 ZINC000216344394 345539821 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/nfs/dbraw/zinc/17/61/17/346176117.db2.gz GYGLTXZCJGDRCY-UHFFFAOYSA-N 1 1 212.303 1.429 10 0 BDAEMO NC(=O)[C@@H]([NH3+])c1cc(F)ccc1Br ZINC000236310880 346224976 /nfs/dbraw/zinc/22/49/76/346224976.db2.gz WZKNEMCQZHTJIH-ZETCQYMHSA-N 1 1 247.067 1.073 10 0 BDAEMO Cc1cc(C[N@@H+]2CC[C@@H](CCO)C2)no1 ZINC000161606278 346341694 /nfs/dbraw/zinc/34/16/94/346341694.db2.gz YEJXYHZTQGKIQB-JTQLQIEISA-N 1 1 210.277 1.187 10 0 BDAEMO Cc1cc(C[N@H+]2CC[C@@H](CCO)C2)no1 ZINC000161606278 346341697 /nfs/dbraw/zinc/34/16/97/346341697.db2.gz YEJXYHZTQGKIQB-JTQLQIEISA-N 1 1 210.277 1.187 10 0 BDAEMO CC(C)(C)OCC[N@H+]1CC[C@@H](CCO)C1 ZINC000161607070 346342240 /nfs/dbraw/zinc/34/22/40/346342240.db2.gz IVUSZTUKCCSZFG-NSHDSACASA-N 1 1 215.337 1.506 10 0 BDAEMO CCC[N@@H+](CC)C[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669379022 537973598 /nfs/dbraw/zinc/97/35/98/537973598.db2.gz SSNYSBNVKTWPOB-QWRGUYRKSA-N 1 1 228.336 1.029 10 0 BDAEMO Cc1cccc(C[NH2+]Cc2cncnc2)n1 ZINC000054768218 179096761 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1.864 10 0 BDAEMO CCOC[C@@H]1CN(CC[NH3+])CC12CCCCC2 ZINC000409425687 343820290 /nfs/dbraw/zinc/82/02/90/343820290.db2.gz BCHXTKZDPYZKPF-ZDUSSCGKSA-N 1 1 240.391 1.864 10 0 BDAEMO Nc1ccc[nH+]c1N(C1CC1)C1CCOCC1 ZINC000409431740 343822541 /nfs/dbraw/zinc/82/25/41/343822541.db2.gz KEOUZDONHPAFJF-UHFFFAOYSA-N 1 1 233.315 1.812 10 0 BDAEMO CN(C)c1nc(N2CCCCC2)[nH+]cc1N ZINC000409429361 343805601 /nfs/dbraw/zinc/80/56/01/343805601.db2.gz RAXFDSISBHHCFU-UHFFFAOYSA-N 1 1 221.308 1.115 10 0 BDAEMO Nc1ccc[nH+]c1N1CC[C@@H](C(F)F)C1 ZINC000409430565 343808757 /nfs/dbraw/zinc/80/87/57/343808757.db2.gz QTEMAIKPRDDUJE-SSDOTTSWSA-N 1 1 213.231 1.755 10 0 BDAEMO CCOC[C@@H]1CCN(c2ccc(N)c[nH+]2)C1 ZINC000409433371 343832283 /nfs/dbraw/zinc/83/22/83/343832283.db2.gz YATATKGNTOJEGY-SNVBAGLBSA-N 1 1 221.304 1.527 10 0 BDAEMO N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000409434591 343834369 /nfs/dbraw/zinc/83/43/69/343834369.db2.gz YMTFUHMWLZUZGC-KBPBESRZSA-N 1 1 216.328 1.856 10 0 BDAEMO 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XXVATLYSKBFTOR-BFHYXJOUSA-N 1 1 240.391 1.731 10 0 BDAEMO CCC(=O)Nc1nc([C@@H](C)[NH2+]C)cs1 ZINC000076785005 168248466 /nfs/dbraw/zinc/24/84/66/168248466.db2.gz HMOYOSTUJQBMEI-ZCFIWIBFSA-N 1 1 213.306 1.772 10 0 BDAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000406050582 411451096 /nfs/dbraw/zinc/45/10/96/411451096.db2.gz YWEFMMKEAPOIJO-QWHCGFSZSA-N 1 1 241.375 1.894 10 0 BDAEMO OCC[N@@H+](CC1CC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000659858983 411479488 /nfs/dbraw/zinc/47/94/88/411479488.db2.gz WBCNGFGPIKXPBH-CHWSQXEVSA-N 1 1 227.348 1.242 10 0 BDAEMO CO[C@H](CN1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000659901368 411492839 /nfs/dbraw/zinc/49/28/39/411492839.db2.gz PBYNQXGBMCIHMC-UONOGXRCSA-N 1 1 238.375 1.582 10 0 BDAEMO CO[C@H](C[N@@H+]1CCN2CCC[C@H]2C1)C1CCC1 ZINC000659901368 411492841 /nfs/dbraw/zinc/49/28/41/411492841.db2.gz PBYNQXGBMCIHMC-UONOGXRCSA-N 1 1 238.375 1.582 10 0 BDAEMO CO[C@H](C[N@H+]1CCN2CCC[C@H]2C1)C1CCC1 ZINC000659901368 411492842 /nfs/dbraw/zinc/49/28/42/411492842.db2.gz PBYNQXGBMCIHMC-UONOGXRCSA-N 1 1 238.375 1.582 10 0 BDAEMO CC[N@H+]1CCC[C@H](Nc2ccccn2)C1 ZINC000041066813 169977025 /nfs/dbraw/zinc/97/70/25/169977025.db2.gz PIELWTITRBIZFN-NSHDSACASA-N 1 1 205.305 1.978 10 0 BDAEMO CC[N@H+]1CC[C@@H](CNC2N=NC(=S)S2)C1 ZINC000037484476 170009839 /nfs/dbraw/zinc/00/98/39/170009839.db2.gz YASPUYVYPGGNHK-ZETCQYMHSA-N 1 1 244.389 1.581 10 0 BDAEMO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000660118784 411539077 /nfs/dbraw/zinc/53/90/77/411539077.db2.gz WUAIWGWELHFQIW-DGAVXFQQSA-N 1 1 241.375 1.630 10 0 BDAEMO CCN1CCc2nc([C@H](C)C[NH3+])sc2C1 ZINC000054158358 170024878 /nfs/dbraw/zinc/02/48/78/170024878.db2.gz FWKZXXYWKMTXEE-MRVPVSSYSA-N 1 1 225.361 1.583 10 0 BDAEMO CC[N@@H+]1C[C@@H](C)NC[C@@H]1Cc1ccccc1 ZINC000062608951 170028147 /nfs/dbraw/zinc/02/81/47/170028147.db2.gz BPSDUJJDNVCUMB-OCCSQVGLSA-N 1 1 218.344 1.911 10 0 BDAEMO CC[N@H+]1C[C@@H](C)NC[C@@H]1Cc1ccccc1 ZINC000062608951 170028148 /nfs/dbraw/zinc/02/81/48/170028148.db2.gz BPSDUJJDNVCUMB-OCCSQVGLSA-N 1 1 218.344 1.911 10 0 BDAEMO CCN1C[C@H](Cc2ccccc2)[NH2+]CC1=O ZINC000035270169 170039487 /nfs/dbraw/zinc/03/94/87/170039487.db2.gz FMNGPEBVOMESKQ-LBPRGKRZSA-N 1 1 218.300 1.049 10 0 BDAEMO CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404270 170060118 /nfs/dbraw/zinc/06/01/18/170060118.db2.gz ZTKWVEYMHVABEN-SNVBAGLBSA-N 1 1 222.288 1.553 10 0 BDAEMO CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116404270 170060120 /nfs/dbraw/zinc/06/01/20/170060120.db2.gz ZTKWVEYMHVABEN-SNVBAGLBSA-N 1 1 222.288 1.553 10 0 BDAEMO CC[NH2+]CC1(CN(CCO)C2CC2)CCCC1 ZINC000051284938 170110595 /nfs/dbraw/zinc/11/05/95/170110595.db2.gz VTZFLRQTOORUGP-UHFFFAOYSA-N 1 1 240.391 1.613 10 0 BDAEMO CC[NH2+]C[C@H](C(C)C)N1CCN(C2CC2)CC1 ZINC000052371224 170120795 /nfs/dbraw/zinc/12/07/95/170120795.db2.gz NRPCRVNPYFOASW-CQSZACIVSA-N 1 1 239.407 1.401 10 0 BDAEMO CC[NH2+]C[C@H](O)CN1CC[C@H](c2ccccc2)C1 ZINC000050598709 170121879 /nfs/dbraw/zinc/12/18/79/170121879.db2.gz SQUDYMVLLXOWPL-GJZGRUSLSA-N 1 1 248.370 1.446 10 0 BDAEMO CC[NH2+][C@@H](C(N)=O)c1ccc(F)cc1F ZINC000037869638 170137701 /nfs/dbraw/zinc/13/77/01/170137701.db2.gz UNJGGBKRDZRZID-SECBINFHSA-N 1 1 214.215 1.101 10 0 BDAEMO CC[NH2+][C@@H](C)c1nnc([C@H]2CCCOC2)o1 ZINC000062243936 170143245 /nfs/dbraw/zinc/14/32/45/170143245.db2.gz GLKKUZFBOMMYJM-IUCAKERBSA-N 1 1 225.292 1.634 10 0 BDAEMO CC(C)[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000660220004 411555059 /nfs/dbraw/zinc/55/50/59/411555059.db2.gz GGJSNVGUYVVHQI-UTUOFQBUSA-N 1 1 213.321 1.257 10 0 BDAEMO CC[NH2+][C@@H](CC[N@@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524183 170145180 /nfs/dbraw/zinc/14/51/80/170145180.db2.gz CUJNUHJRKLWHEB-RYUDHWBXSA-N 1 1 244.379 1.806 10 0 BDAEMO CCN[C@@H](CC[N@@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000062524136 170145425 /nfs/dbraw/zinc/14/54/25/170145425.db2.gz XAUZPWBAYTVBBY-RYUDHWBXSA-N 1 1 243.395 1.206 10 0 BDAEMO CC[NH2+][C@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062711564 170162423 /nfs/dbraw/zinc/16/24/23/170162423.db2.gz IOFBSRKWXQGENB-SECBINFHSA-N 1 1 218.222 1.713 10 0 BDAEMO CC[NH2+][C@H](c1cnn(C)c1)c1nc(C)cs1 ZINC000041061014 170164614 /nfs/dbraw/zinc/16/46/14/170164614.db2.gz CXVFREPPTYPMLS-SNVBAGLBSA-N 1 1 236.344 1.884 10 0 BDAEMO COC[C@H]1CCCC[N@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000660292385 411565867 /nfs/dbraw/zinc/56/58/67/411565867.db2.gz IAOJQMWLEKLULZ-YNEHKIRRSA-N 1 1 227.348 1.648 10 0 BDAEMO CCOC(=O)C[N@@H+](CC)[C@@H]1CCCC[C@@H]1O ZINC000050051282 170217218 /nfs/dbraw/zinc/21/72/18/170217218.db2.gz MQNIJYOPOBTQBR-MNOVXSKESA-N 1 1 229.320 1.175 10 0 BDAEMO CCOC(=O)[C@@H]([NH3+])CCSC(C)C ZINC000062601272 170252081 /nfs/dbraw/zinc/25/20/81/170252081.db2.gz TVLIJAZOPGSQCG-QMMMGPOBSA-N 1 1 205.323 1.409 10 0 BDAEMO CCOC(=O)[C@@H]([NH3+])CCOc1ccccc1 ZINC000062550166 170252255 /nfs/dbraw/zinc/25/22/55/170252255.db2.gz BZKWYKDPDPNVGV-NSHDSACASA-N 1 1 223.272 1.346 10 0 BDAEMO CCOC(=O)[C@H]([NH3+])Cc1ccc(N(C)C)cc1 ZINC000033699513 170274995 /nfs/dbraw/zinc/27/49/95/170274995.db2.gz 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PLGZQFOCNXZWRQ-WPRPVWTQSA-N 1 1 226.276 1.028 10 0 BDAEMO COc1cc(C[N@H+]2CCC[C@H](O)[C@@H]2C)on1 ZINC000660692503 411615424 /nfs/dbraw/zinc/61/54/24/411615424.db2.gz PLGZQFOCNXZWRQ-WPRPVWTQSA-N 1 1 226.276 1.028 10 0 BDAEMO C[C@H](O)C[N@@H+](C[C@H]1CCC[C@H](O)C1)C1CC1 ZINC000660926188 411677940 /nfs/dbraw/zinc/67/79/40/411677940.db2.gz MPWHCFVHUNJIRA-GVXVVHGQSA-N 1 1 227.348 1.383 10 0 BDAEMO CCOc1cccc(Cc2c[nH+]c(N)nc2N)c1 ZINC000013801424 170580578 /nfs/dbraw/zinc/58/05/78/170580578.db2.gz KTYSFHHOATVLLG-UHFFFAOYSA-N 1 1 244.298 1.631 10 0 BDAEMO CC[N@H+]1CCCOC[C@H]1c1ccnc(N)c1 ZINC000616648984 411854805 /nfs/dbraw/zinc/85/48/05/411854805.db2.gz IPRXGDSCTXABQY-NSHDSACASA-N 1 1 221.304 1.447 10 0 BDAEMO CC[N@H+]1CCCOC[C@H]1c1ccc(N)nc1 ZINC000616649944 411855141 /nfs/dbraw/zinc/85/51/41/411855141.db2.gz QLMZMKRBUHLMBO-NSHDSACASA-N 1 1 221.304 1.447 10 0 BDAEMO CC[N@H+]1CCCCC[C@H]1c1c[nH]nc1N ZINC000616619900 411857321 /nfs/dbraw/zinc/85/73/21/411857321.db2.gz BACGRUNCNNFYAZ-JTQLQIEISA-N 1 1 208.309 1.929 10 0 BDAEMO CC(C)(C)[N@H+]1CCC[C@H](c2cc(N)n[nH]2)C1 ZINC000616617965 411861117 /nfs/dbraw/zinc/86/11/17/411861117.db2.gz NTQHUVWZHGIUHJ-VIFPVBQESA-N 1 1 222.336 1.970 10 0 BDAEMO C[N@H+]1CCOCC[C@H]1c1ccc(N)nc1 ZINC000616659657 411896524 /nfs/dbraw/zinc/89/65/24/411896524.db2.gz VYZQUEXXWGYVRV-JTQLQIEISA-N 1 1 207.277 1.057 10 0 BDAEMO C[N@H+]1CCO[C@@H](c2ccc(N)nc2)CC1 ZINC000616594116 411896571 /nfs/dbraw/zinc/89/65/71/411896571.db2.gz ONZHQWVTWFEUSJ-SNVBAGLBSA-N 1 1 207.277 1.057 10 0 BDAEMO CC(C)[N@H+]1CCOCC[C@H]1c1ccc(N)nc1 ZINC000616598836 411870049 /nfs/dbraw/zinc/87/00/49/411870049.db2.gz SQWGBXQYAOYCKB-LBPRGKRZSA-N 1 1 235.331 1.836 10 0 BDAEMO CC(C)[N@H+]1CC[C@H](c2ccnc(N)c2)C1 ZINC000616613953 411871379 /nfs/dbraw/zinc/87/13/79/411871379.db2.gz WQQWWQKIZJUXGR-NSHDSACASA-N 1 1 205.305 1.862 10 0 BDAEMO CC[C@](C)(O)C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662146315 412007348 /nfs/dbraw/zinc/00/73/48/412007348.db2.gz RDQMACSQYQMUAU-WOPDTQHZSA-N 1 1 215.337 1.098 10 0 BDAEMO CC[C@@H]1CCC[N@H+]1[C@]1(CN)CN2CCC1CC2 ZINC000037913412 170984599 /nfs/dbraw/zinc/98/45/99/170984599.db2.gz JQDRDRWHIMXZFL-ZIAGYGMSSA-N 1 1 237.391 1.284 10 0 BDAEMO CC[C@@H]1CN(CCCF)CC[N@H+]1C[C@@H](C)O ZINC000128296201 171078881 /nfs/dbraw/zinc/07/88/81/171078881.db2.gz QWCCSUUUBGQFDN-VXGBXAGGSA-N 1 1 232.343 1.123 10 0 BDAEMO CC[C@@H]1C[N@H+](CCCF)CCN1C[C@@H](C)O ZINC000128296201 171078883 /nfs/dbraw/zinc/07/88/83/171078883.db2.gz QWCCSUUUBGQFDN-VXGBXAGGSA-N 1 1 232.343 1.123 10 0 BDAEMO CC[C@@H]1C[N@@H+](CCCF)CCN1C[C@@H](C)O ZINC000128296201 171078885 /nfs/dbraw/zinc/07/88/85/171078885.db2.gz QWCCSUUUBGQFDN-VXGBXAGGSA-N 1 1 232.343 1.123 10 0 BDAEMO CC[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2O)CCO1 ZINC000037503418 171095591 /nfs/dbraw/zinc/09/55/91/171095591.db2.gz IYMAOVYJQKYQJN-UTUOFQBUSA-N 1 1 213.321 1.401 10 0 BDAEMO CC[C@@H]1COCC[N@H+]1C[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000053883963 171105605 /nfs/dbraw/zinc/10/56/05/171105605.db2.gz IZWHHLQSTWBFBD-RQJABVFESA-N 1 1 241.375 1.894 10 0 BDAEMO CC[C@@H]1CSC(N[C@H]2CCC[N@@H+](CC)C2)=[NH+]1 ZINC000049221514 171114800 /nfs/dbraw/zinc/11/48/00/171114800.db2.gz BUGAKAOSEVKFBN-MNOVXSKESA-N 1 1 241.404 1.942 10 0 BDAEMO CC[C@H](C(N)=O)[N@H+](Cc1ccco1)C1CC1 ZINC000061679430 171243813 /nfs/dbraw/zinc/24/38/13/171243813.db2.gz XVCFGOFTALUDSS-LLVKDONJSA-N 1 1 222.288 1.508 10 0 BDAEMO CC[C@H](C(N)=O)[N@@H+](Cc1ccco1)C1CC1 ZINC000061679430 171243814 /nfs/dbraw/zinc/24/38/14/171243814.db2.gz XVCFGOFTALUDSS-LLVKDONJSA-N 1 1 222.288 1.508 10 0 BDAEMO CC[C@H](C)C[N@@H+](CC(N)=O)Cc1cccc(N)c1 ZINC000050425181 171275731 /nfs/dbraw/zinc/27/57/31/171275731.db2.gz AWCNTDVUCHVOKB-NSHDSACASA-N 1 1 249.358 1.602 10 0 BDAEMO CC[C@H](C)[C@H](CN)[N@H+]1CCCSCC1 ZINC000042443440 171392620 /nfs/dbraw/zinc/39/26/20/171392620.db2.gz MSPKJCIKOXCHEE-QWRGUYRKSA-N 1 1 216.394 1.799 10 0 BDAEMO CC[C@H](C)[C@H](C[NH3+])N1CCCSCC1 ZINC000042443440 171392622 /nfs/dbraw/zinc/39/26/22/171392622.db2.gz MSPKJCIKOXCHEE-QWRGUYRKSA-N 1 1 216.394 1.799 10 0 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BDAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000122608760 172385869 /nfs/dbraw/zinc/38/58/69/172385869.db2.gz IMBRXXKBCPRIAD-SNVBAGLBSA-N 1 1 239.344 1.196 10 0 BDAEMO C[N@H+]1CCCC[C@@H]1CNc1ccncn1 ZINC000044563211 173003816 /nfs/dbraw/zinc/00/38/16/173003816.db2.gz ZLGBLWFPNOOMAA-SNVBAGLBSA-N 1 1 206.293 1.373 10 0 BDAEMO Cn1ccnc1NC[C@H]1CCCC[N@@H+]1C ZINC000050606573 173005873 /nfs/dbraw/zinc/00/58/73/173005873.db2.gz FQKDKLYWGFQDIF-SNVBAGLBSA-N 1 1 208.309 1.316 10 0 BDAEMO Cn1ccnc1NC[C@H]1CCCC[N@H+]1C ZINC000050606573 173005875 /nfs/dbraw/zinc/00/58/75/173005875.db2.gz FQKDKLYWGFQDIF-SNVBAGLBSA-N 1 1 208.309 1.316 10 0 BDAEMO Cn1cc(NC[C@H]2CCCC[N@H+]2C)ccc1=O ZINC000054243187 173006013 /nfs/dbraw/zinc/00/60/13/173006013.db2.gz YRGWVFSBRRGJEQ-GFCCVEGCSA-N 1 1 235.331 1.282 10 0 BDAEMO CN1CCC[N@H+]([C@H]2CNc3ccccc3C2)CC1 ZINC000037761087 173017849 /nfs/dbraw/zinc/01/78/49/173017849.db2.gz GIGDTRSCJJDWBH-CQSZACIVSA-N 1 1 245.370 1.661 10 0 BDAEMO C[N@@H+]1CCCN([C@H]2CNc3ccccc3C2)CC1 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10 0 BDAEMO Cc1c[nH]nc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000715381458 712521942 /nfs/dbraw/zinc/52/19/42/712521942.db2.gz HBUKFKFJPFQGLH-SRVKXCTJSA-N 1 1 235.331 1.311 10 0 BDAEMO Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000715381458 712521944 /nfs/dbraw/zinc/52/19/44/712521944.db2.gz HBUKFKFJPFQGLH-SRVKXCTJSA-N 1 1 235.331 1.311 10 0 BDAEMO Cc1cn[nH]c1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000715381458 712521946 /nfs/dbraw/zinc/52/19/46/712521946.db2.gz HBUKFKFJPFQGLH-SRVKXCTJSA-N 1 1 235.331 1.311 10 0 BDAEMO CC(C)(C)[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715388716 712522428 /nfs/dbraw/zinc/52/24/28/712522428.db2.gz NFQOSGSVBWOXKS-YIZRAAEISA-N 1 1 219.275 1.590 10 0 BDAEMO CCc1nc(NC2CC(C(N)=O)C2)cc(C)[nH+]1 ZINC000716783193 712573168 /nfs/dbraw/zinc/57/31/68/712573168.db2.gz QRJYEYOSTRAHPC-UHFFFAOYSA-N 1 1 234.303 1.023 10 0 BDAEMO CC(=O)[C@@H]1CCC[N@H+](CCCC(=O)N(C)C)C1 ZINC000111690109 712688589 /nfs/dbraw/zinc/68/85/89/712688589.db2.gz 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/nfs/dbraw/zinc/14/20/48/955142048.db2.gz YWUCVLSLYADNBR-WDEREUQCSA-N 1 1 226.320 1.020 10 0 BDAEMO C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC(=O)[O-] ZINC000717495780 955142061 /nfs/dbraw/zinc/14/20/61/955142061.db2.gz YWUCVLSLYADNBR-WDEREUQCSA-N 1 1 226.320 1.020 10 0 BDAEMO C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCC(=O)[O-] ZINC000717495780 955142072 /nfs/dbraw/zinc/14/20/72/955142072.db2.gz YWUCVLSLYADNBR-WDEREUQCSA-N 1 1 226.320 1.020 10 0 BDAEMO C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCC(=O)[O-] ZINC000717495780 955142082 /nfs/dbraw/zinc/14/20/82/955142082.db2.gz YWUCVLSLYADNBR-WDEREUQCSA-N 1 1 226.320 1.020 10 0 BDAEMO C/C(=C/C(=O)[O-])C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000705129076 977267664 /nfs/dbraw/zinc/26/76/64/977267664.db2.gz BZTOOVFQUJWDOR-RDQDRAATSA-N 1 1 240.347 1.291 10 0 BDAEMO C/C(=C/C(=O)[O-])C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000705129076 977267673 /nfs/dbraw/zinc/26/76/73/977267673.db2.gz BZTOOVFQUJWDOR-RDQDRAATSA-N 1 1 240.347 1.291 10 0 BDAEMO C/C(=C/C(=O)[O-])C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000705129076 977267680 /nfs/dbraw/zinc/26/76/80/977267680.db2.gz BZTOOVFQUJWDOR-RDQDRAATSA-N 1 1 240.347 1.291 10 0 BDAEMO C/C(=C\C(=O)[O-])C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000705129085 977267940 /nfs/dbraw/zinc/26/79/40/977267940.db2.gz BZTOOVFQUJWDOR-YTRUQHMWSA-N 1 1 240.347 1.291 10 0 BDAEMO C/C(=C\C(=O)[O-])C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000705129085 977267946 /nfs/dbraw/zinc/26/79/46/977267946.db2.gz BZTOOVFQUJWDOR-YTRUQHMWSA-N 1 1 240.347 1.291 10 0 BDAEMO C/C(=C\C(=O)[O-])C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705129085 977267950 /nfs/dbraw/zinc/26/79/50/977267950.db2.gz BZTOOVFQUJWDOR-YTRUQHMWSA-N 1 1 240.347 1.291 10 0 BDAEMO C[NH2+]CC(F)(F)COCCOC(C)C ZINC000685956952 538900364 /nfs/dbraw/zinc/90/03/64/538900364.db2.gz NLZAAUFUSIQNCL-UHFFFAOYSA-N 1 1 211.252 1.283 10 0 BDAEMO CC[N@@H+]1CC[C@H](N)[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955186 538900900 /nfs/dbraw/zinc/90/09/00/538900900.db2.gz VRJQPRHZDHCKMB-WHOHXGKFSA-N 1 1 212.337 1.366 10 0 BDAEMO CC[N@H+]1CC[C@H](N)[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955186 538900902 /nfs/dbraw/zinc/90/09/02/538900902.db2.gz VRJQPRHZDHCKMB-WHOHXGKFSA-N 1 1 212.337 1.366 10 0 BDAEMO CC[NH2+]CC(F)(F)CN1CC[C@H](C)C1 ZINC000685956828 538901269 /nfs/dbraw/zinc/90/12/69/538901269.db2.gz KYGTUFVHEFIZCB-VIFPVBQESA-N 1 1 206.280 1.573 10 0 BDAEMO C[C@H]1CCC[C@H]1N(C)CC(F)(F)C[NH3+] ZINC000685956217 538902033 /nfs/dbraw/zinc/90/20/33/538902033.db2.gz APQCGVLRFSPEDJ-DTWKUNHWSA-N 1 1 206.280 1.701 10 0 BDAEMO CCCN(CC(F)(F)C[NH2+]C)C1CC1 ZINC000685957083 538903479 /nfs/dbraw/zinc/90/34/79/538903479.db2.gz LZSZTDGDNJPRRA-UHFFFAOYSA-N 1 1 206.280 1.716 10 0 BDAEMO [NH3+]CC(F)(F)CN1C[C@@H]2CCCC[C@@H]21 ZINC000685957635 538905114 /nfs/dbraw/zinc/90/51/14/538905114.db2.gz WDLATWCSHMOHHX-IUCAKERBSA-N 1 1 204.264 1.455 10 0 BDAEMO CCSC[C@@H](C)N(C)CC(F)(F)C[NH3+] ZINC000685957700 538905120 /nfs/dbraw/zinc/90/51/20/538905120.db2.gz YEJDILFJPLQWDY-MRVPVSSYSA-N 1 1 226.336 1.654 10 0 BDAEMO C[NH2+]CC(F)(F)CN(C)CC(C)(C)C ZINC000685957838 538905190 /nfs/dbraw/zinc/90/51/90/538905190.db2.gz IJHPRRFRBDMNHX-UHFFFAOYSA-N 1 1 208.296 1.819 10 0 BDAEMO CC[NH2+]CC(F)(F)CN1CC(CC)C1 ZINC000685957958 538905461 /nfs/dbraw/zinc/90/54/61/538905461.db2.gz MLXPQRCXDYBNLZ-UHFFFAOYSA-N 1 1 206.280 1.573 10 0 BDAEMO CC1(N2CCSCC2)CC[NH2+]CC1 ZINC000685960956 538908199 /nfs/dbraw/zinc/90/81/99/538908199.db2.gz INZZKCADQGVILG-UHFFFAOYSA-N 1 1 200.351 1.177 10 0 BDAEMO CCc1nnc([C@H](C)[NH2+][C@H](C)COC)o1 ZINC000309052542 349437226 /nfs/dbraw/zinc/43/72/26/349437226.db2.gz RSUVYSXDGDBABD-SFYZADRCSA-N 1 1 213.281 1.318 10 0 BDAEMO C[C@@H]1OCC[C@@H]1Sc1cc(N)cc[nH+]1 ZINC000235339195 398141435 /nfs/dbraw/zinc/14/14/35/398141435.db2.gz VPHICFGOASDVLJ-CBAPKCEASA-N 1 1 210.302 1.933 10 0 BDAEMO N#CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000306682401 398172285 /nfs/dbraw/zinc/17/22/85/398172285.db2.gz RAHXJWBHBLFDSQ-SOUVJXGZSA-N 1 1 241.338 1.968 10 0 BDAEMO [NH3+]C1(c2nc[nH]c(=O)c2Br)CCC1 ZINC000307443811 398167346 /nfs/dbraw/zinc/16/73/46/398167346.db2.gz CPZBLXKRNUWZQF-UHFFFAOYSA-N 1 1 244.092 1.283 10 0 BDAEMO Nc1ncccc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000649386195 398193057 /nfs/dbraw/zinc/19/30/57/398193057.db2.gz GLCFTCACPCGXIT-MWLCHTKSSA-N 1 1 203.289 1.648 10 0 BDAEMO Cc1nnc(C[NH2+][C@H]2CCC[C@@]2(C)CO)o1 ZINC000309880047 136219893 /nfs/dbraw/zinc/21/98/93/136219893.db2.gz VCLJMLJAHDBRMG-ONGXEEELSA-N 1 1 225.292 1.019 10 0 BDAEMO Cc1cc(NCCC[NH+]2CCOCC2)ccc1N ZINC000035056289 178160399 /nfs/dbraw/zinc/16/03/99/178160399.db2.gz BDTDFTCHUILBQX-UHFFFAOYSA-N 1 1 249.358 1.711 10 0 BDAEMO Cc1cc(NCCN2CC[NH+](C)CC2)ccc1N ZINC000037759551 178161176 /nfs/dbraw/zinc/16/11/76/178161176.db2.gz GUXDQVFKRCGSIN-UHFFFAOYSA-N 1 1 248.374 1.237 10 0 BDAEMO CC[N@@H+]1CC[C@H](N)C12CCSCC2 ZINC000606275701 538930022 /nfs/dbraw/zinc/93/00/22/538930022.db2.gz IZBRBJOWBKCSRV-VIFPVBQESA-N 1 1 200.351 1.305 10 0 BDAEMO CC[N@H+]1CC[C@H](N)C12CCSCC2 ZINC000606275701 538930024 /nfs/dbraw/zinc/93/00/24/538930024.db2.gz IZBRBJOWBKCSRV-VIFPVBQESA-N 1 1 200.351 1.305 10 0 BDAEMO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CCN1C ZINC000164017556 538931521 /nfs/dbraw/zinc/93/15/21/538931521.db2.gz CVOBEPYWGUCVMW-WOPDTQHZSA-N 1 1 228.380 1.466 10 0 BDAEMO Cc1[nH+]ccn1Cc1nsc(Cl)n1 ZINC000306641480 361753983 /nfs/dbraw/zinc/75/39/83/361753983.db2.gz MKXCNFUSLYVIFP-UHFFFAOYSA-N 1 1 214.681 1.745 10 0 BDAEMO Cc1ccc(-c2cn(N)c(N)[nH+]2)c(C)c1 ZINC000026475659 178327608 /nfs/dbraw/zinc/32/76/08/178327608.db2.gz GMXCJBAGJSGYPB-UHFFFAOYSA-N 1 1 202.261 1.463 10 0 BDAEMO OC[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)CCO1 ZINC000323024877 259309706 /nfs/dbraw/zinc/30/97/06/259309706.db2.gz ABQKTLFHIIASSC-UVCVVPOWSA-N 1 1 247.338 1.783 10 0 BDAEMO COC[C@]1(C)CC[N@@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000381528902 398262104 /nfs/dbraw/zinc/26/21/04/398262104.db2.gz ZXGLHRUZMZUHFM-MELADBBJSA-N 1 1 241.375 1.896 10 0 BDAEMO 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CO[C@H]1C[N@H+](CC2CC(C)(C)C2)[C@](C)(CN)C1 ZINC000630366296 364086837 /nfs/dbraw/zinc/08/68/37/364086837.db2.gz KALHALIMQXGIER-OCCSQVGLSA-N 1 1 240.391 1.861 10 0 BDAEMO CO[C@H]1C[N@@H+](CC2CC(C)(C)C2)[C@](C)(CN)C1 ZINC000630366296 364086839 /nfs/dbraw/zinc/08/68/39/364086839.db2.gz KALHALIMQXGIER-OCCSQVGLSA-N 1 1 240.391 1.861 10 0 BDAEMO NCC1(C[N@@H+]2CCC[C@H](CO)C2)CCCC1 ZINC000051206178 181358539 /nfs/dbraw/zinc/35/85/39/181358539.db2.gz BXHXLTLDZRDUAB-LBPRGKRZSA-N 1 1 226.364 1.210 10 0 BDAEMO NCC1(C[N@H+]2CCC[C@H](CO)C2)CCCC1 ZINC000051206178 181358542 /nfs/dbraw/zinc/35/85/42/181358542.db2.gz BXHXLTLDZRDUAB-LBPRGKRZSA-N 1 1 226.364 1.210 10 0 BDAEMO CCN1CC[C@H]([NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000573458124 364838563 /nfs/dbraw/zinc/83/85/63/364838563.db2.gz UALKDAPLABCHSY-LBPRGKRZSA-N 1 1 244.342 1.747 10 0 BDAEMO CN(Cc1cscn1)CC(F)(F)C[NH3+] ZINC000389276589 541401275 /nfs/dbraw/zinc/40/12/75/541401275.db2.gz PBXJJRKLLITMQO-UHFFFAOYSA-N 1 1 221.276 1.169 10 0 BDAEMO CCCCOC[C@H](O)C[N@H+]1CCC1(C)C ZINC000574260451 365022207 /nfs/dbraw/zinc/02/22/07/365022207.db2.gz DIPDFPZURAYHBL-LLVKDONJSA-N 1 1 215.337 1.648 10 0 BDAEMO CCCCOC[C@@H](O)C[N@H+]1CCC1(C)C ZINC000574260452 365022246 /nfs/dbraw/zinc/02/22/46/365022246.db2.gz DIPDFPZURAYHBL-NSHDSACASA-N 1 1 215.337 1.648 10 0 BDAEMO [NH3+]CCNC1CC(c2cccc(F)c2)C1 ZINC000037712823 181396857 /nfs/dbraw/zinc/39/68/57/181396857.db2.gz URHWXQPVGNVCHR-UHFFFAOYSA-N 1 1 208.280 1.620 10 0 BDAEMO C[C@@H](N[C@H](CO)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000575894866 365407751 /nfs/dbraw/zinc/40/77/51/365407751.db2.gz JTXUPTGKAKPDSH-VHDGCEQUSA-N 1 1 248.370 1.698 10 0 BDAEMO C[C@@H](c1cnccn1)[N@@H+]1CCS[C@@H](C)C1 ZINC000184513345 367081314 /nfs/dbraw/zinc/08/13/14/367081314.db2.gz VDCNBQANNVFCMN-UWVGGRQHSA-N 1 1 223.345 1.975 10 0 BDAEMO C[C@@H](c1cnccn1)[N@H+]1CCS[C@@H](C)C1 ZINC000184513345 367081317 /nfs/dbraw/zinc/08/13/17/367081317.db2.gz VDCNBQANNVFCMN-UWVGGRQHSA-N 1 1 223.345 1.975 10 0 BDAEMO 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209.211 1.394 10 0 BDAEMO CCC[N@@H+](CC(=O)NC)Cc1cccc(N)c1C ZINC000042403711 169094510 /nfs/dbraw/zinc/09/45/10/169094510.db2.gz XCURLMUPBGBUOU-UHFFFAOYSA-N 1 1 249.358 1.535 10 0 BDAEMO O[C@]12CCCC[C@H]1C[N@H+](C1CCOCC1)CC2 ZINC000128498693 183252934 /nfs/dbraw/zinc/25/29/34/183252934.db2.gz WGTQYCQVOWYJTJ-JSGCOSHPSA-N 1 1 239.359 1.792 10 0 BDAEMO O[C@H]1CCCC[C@H]1[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000305431618 183232420 /nfs/dbraw/zinc/23/24/20/183232420.db2.gz FGILIRGLQJCQMY-KGLIPLIRSA-N 1 1 249.358 1.893 10 0 BDAEMO CCC[N@@H+](CC)Cc1ccc(C(N)=O)cc1N ZINC000037273276 169128626 /nfs/dbraw/zinc/12/86/26/169128626.db2.gz AYRVZNZXAUUUAV-UHFFFAOYSA-N 1 1 235.331 1.600 10 0 BDAEMO CCCN(CCC[NH3+])[C@@H](C)C(=O)N1CCCC1 ZINC000036731939 169156649 /nfs/dbraw/zinc/15/66/49/169156649.db2.gz GONHYKQRUAQUBG-LBPRGKRZSA-N 1 1 241.379 1.058 10 0 BDAEMO CCC[N@H+](CCN(C)C)Cc1ccnc(N)c1 ZINC000052728006 169157539 /nfs/dbraw/zinc/15/75/39/169157539.db2.gz NAPZEYBLHJBNSF-UHFFFAOYSA-N 1 1 236.363 1.437 10 0 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1.362 10 0 BDAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1CO ZINC000714328742 712482202 /nfs/dbraw/zinc/48/22/02/712482202.db2.gz DCEVILBDXZWCOD-AGIUHOORSA-N 1 1 241.375 1.894 10 0 BDAEMO C[C@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1N ZINC000714905976 712498803 /nfs/dbraw/zinc/49/88/03/712498803.db2.gz DEEHJIBPMHMPLX-ZBAXXZLZSA-N 1 1 208.349 1.702 10 0 BDAEMO C[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1N ZINC000714905976 712498806 /nfs/dbraw/zinc/49/88/06/712498806.db2.gz DEEHJIBPMHMPLX-ZBAXXZLZSA-N 1 1 208.349 1.702 10 0 BDAEMO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1CO ZINC000715406703 712517070 /nfs/dbraw/zinc/51/70/70/712517070.db2.gz YUFKJSHQRMNFKY-VZZFWQQMSA-N 1 1 239.359 1.504 10 0 BDAEMO CO[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000379817918 712611631 /nfs/dbraw/zinc/61/16/31/712611631.db2.gz SERBQJVVHPQRDQ-QJPTWQEYSA-N 1 1 213.321 1.258 10 0 BDAEMO CO[C@H]1C[C@@H](CO)[N@@H+](CCCC(C)(F)F)C1 ZINC000718682318 712777241 /nfs/dbraw/zinc/77/72/41/712777241.db2.gz 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