smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1C[C@@H]1CC[C@@H]2[C@H](c3cc(O)ccc3N2C)C1=O ZINC000039960642 1078254249 /nfs/dbraw/zinc/25/42/49/1078254249.db2.gz LXUVVXYOZOBVHJ-VUCTXSBTSA-N 1 1 311.385 2.478 40 0 DEABMO c1ccc(CC[N@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cc1 ZINC000306126076 231083399 /nfs/dbraw/zinc/08/33/99/231083399.db2.gz DLSPIHXDBRVWPQ-RCCFBDPRSA-N 1 1 324.428 2.078 40 0 DEABMO O=C(OCc1ccccc1)N1CCC[C@@H]1C[N@H+](CCO)C1CC1 ZINC000079391737 185168509 /nfs/dbraw/zinc/16/85/09/185168509.db2.gz GKQYBACIPUQSGB-QGZVFWFLSA-N 1 1 318.417 2.244 40 0 DEABMO COc1cccc(-c2ccc(C[C@H]3[NH2+]CCN(C)C3=O)cc2)c1 ZINC000072352845 191128684 /nfs/dbraw/zinc/12/86/84/191128684.db2.gz KJMDNVOGFXXVQE-GOSISDBHSA-N 1 1 310.397 2.335 40 0 DEABMO Cc1noc(C2(C)CCN(C(=O)[C@@]3(C)CCCC[N@@H+]3C)CC2)n1 ZINC000072367347 191136713 /nfs/dbraw/zinc/13/67/13/191136713.db2.gz GZRFZXQDGCQCDD-QGZVFWFLSA-N 1 1 320.437 2.133 40 0 DEABMO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000005043831 181196515 /nfs/dbraw/zinc/19/65/15/181196515.db2.gz IYYCNRSLERBFNP-DVOMOZLQSA-N 1 1 316.401 2.305 40 0 DEABMO COc1ccc(OC)c(C(=O)N2CCC[C@]3(CC[N@H+]3C)C2)c1 ZINC000585101728 357332745 /nfs/dbraw/zinc/33/27/45/357332745.db2.gz BTNOAGOZOBXHLJ-KRWDZBQOSA-N 1 1 304.390 2.014 40 0 DEABMO CC[N@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3C)CC[C@@H]2C1 ZINC000585107913 357335116 /nfs/dbraw/zinc/33/51/16/357335116.db2.gz FFTPNGJWKYZIQT-NVXWUHKLSA-N 1 1 302.418 2.178 40 0 DEABMO O[C@@]1(COc2ccc(F)cc2)COCC[N@H+](C2CCCC2)C1 ZINC000585268891 357339621 /nfs/dbraw/zinc/33/96/21/357339621.db2.gz CSPKRLYBPOPHHH-QGZVFWFLSA-N 1 1 309.381 2.210 40 0 DEABMO Cc1ccccc1OC[C@]1(O)CC[N@@H+](CC2CCOCC2)C1 ZINC000585273335 357341339 /nfs/dbraw/zinc/34/13/39/357341339.db2.gz BYAZHYGLQLCJMZ-SFHVURJKSA-N 1 1 305.418 2.237 40 0 DEABMO COc1ccc(C[N@H+]2CCC[C@@](CCC(N)=O)(OC)C2)c(F)c1 ZINC000585276766 357342649 /nfs/dbraw/zinc/34/26/49/357342649.db2.gz DQXKUJNFUILGQD-KRWDZBQOSA-N 1 1 324.396 2.081 40 0 DEABMO C[N@@H+](Cc1cnccn1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257302986 203027519 /nfs/dbraw/zinc/02/75/19/203027519.db2.gz SFHGRQBDAOTIRJ-SQNIBIBYSA-N 1 1 313.401 2.269 40 0 DEABMO Cc1cccc(N2CCC[C@H](NC(=O)c3cscn3)C2)[nH+]1 ZINC000257306966 203032996 /nfs/dbraw/zinc/03/29/96/203032996.db2.gz SWSVQNDKOJPEFR-LBPRGKRZSA-N 1 1 302.403 2.245 40 0 DEABMO COc1ccc([C@@H]2C[N@H+](C3CCOCC3)CCN2C(C)=O)cc1 ZINC000257282000 203010016 /nfs/dbraw/zinc/01/00/16/203010016.db2.gz ORVOIWMPWOAEOU-SFHVURJKSA-N 1 1 318.417 2.079 40 0 DEABMO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)no1 ZINC000257294241 203018432 /nfs/dbraw/zinc/01/84/32/203018432.db2.gz QTDSUHDEEHWVDT-IKGGRYGDSA-N 1 1 302.374 2.386 40 0 DEABMO Cc1cc(C[N@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)no1 ZINC000257294241 203018436 /nfs/dbraw/zinc/01/84/36/203018436.db2.gz QTDSUHDEEHWVDT-IKGGRYGDSA-N 1 1 302.374 2.386 40 0 DEABMO CNc1nccnc1C[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000257329438 203052302 /nfs/dbraw/zinc/05/23/02/203052302.db2.gz XJZQYLPKZPFSMT-GFCCVEGCSA-N 1 1 303.435 2.430 40 0 DEABMO CNc1nccnc1C[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000257329438 203052305 /nfs/dbraw/zinc/05/23/05/203052305.db2.gz XJZQYLPKZPFSMT-GFCCVEGCSA-N 1 1 303.435 2.430 40 0 DEABMO CN(C)c1ncc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257318851 203042819 /nfs/dbraw/zinc/04/28/19/203042819.db2.gz VPQPFSCLJSTPGV-KRWDZBQOSA-N 1 1 311.433 2.031 40 0 DEABMO COc1ccc(F)c(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000019285207 182111596 /nfs/dbraw/zinc/11/15/96/182111596.db2.gz PLESPRQIFGMIIP-LBPRGKRZSA-N 1 1 317.364 2.216 40 0 DEABMO C[C@]12C[N@H+](Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@@H]2N ZINC000019461868 182124671 /nfs/dbraw/zinc/12/46/71/182124671.db2.gz TWXVMGOZCGGXHQ-BJLQDIEVSA-N 1 1 321.424 2.321 40 0 DEABMO C[C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@@H]2N ZINC000019461868 182124674 /nfs/dbraw/zinc/12/46/74/182124674.db2.gz TWXVMGOZCGGXHQ-BJLQDIEVSA-N 1 1 321.424 2.321 40 0 DEABMO O=C1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CCCCC2=O)CC1 ZINC000019682007 284787239 /nfs/dbraw/zinc/78/72/39/284787239.db2.gz LWFKOYDXEOPQLR-HZPDHXFCSA-N 1 1 306.450 2.123 40 0 DEABMO Cn1cc(C[N@H+]2CC[C@@]3(C[C@H](Nc4ccccc4)CO3)C2)cn1 ZINC000096218802 256553823 /nfs/dbraw/zinc/55/38/23/256553823.db2.gz OAOYSQIVQKIEIQ-ZWKOTPCHSA-N 1 1 312.417 2.266 40 0 DEABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2)cc1OC ZINC000072227039 257122365 /nfs/dbraw/zinc/12/23/65/257122365.db2.gz XOHSQHZBOGAIHT-SJORKVTESA-N 1 1 312.369 2.115 40 0 DEABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000072227966 257122800 /nfs/dbraw/zinc/12/28/00/257122800.db2.gz NMGLGAHYUFVYGD-LSDHHAIUSA-N 1 1 316.744 2.484 40 0 DEABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cnc(N2CCCCC2)nc1 ZINC000072324574 401709315 /nfs/dbraw/zinc/70/93/15/401709315.db2.gz VGTHMCIEADFXIZ-DOTOQJQBSA-N 1 1 315.465 2.135 40 0 DEABMO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000072366183 401710067 /nfs/dbraw/zinc/71/00/67/401710067.db2.gz DMCMYCGYLYVBRL-HNNXBMFYSA-N 1 1 309.373 2.327 40 0 DEABMO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000072366183 401710071 /nfs/dbraw/zinc/71/00/71/401710071.db2.gz DMCMYCGYLYVBRL-HNNXBMFYSA-N 1 1 309.373 2.327 40 0 DEABMO Cn1cc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cn1 ZINC000012183945 401781174 /nfs/dbraw/zinc/78/11/74/401781174.db2.gz RLIMFTVOGYZIJC-CQSZACIVSA-N 1 1 312.373 2.165 40 0 DEABMO Cn1cc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cn1 ZINC000012183945 401781178 /nfs/dbraw/zinc/78/11/78/401781178.db2.gz RLIMFTVOGYZIJC-CQSZACIVSA-N 1 1 312.373 2.165 40 0 DEABMO Cc1cc(C)c(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000027531006 401845658 /nfs/dbraw/zinc/84/56/58/401845658.db2.gz BMTCIIHNBMUGSX-IXDOHACOSA-N 1 1 307.434 2.461 40 0 DEABMO Cc1cc(C)c(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000027531006 401845661 /nfs/dbraw/zinc/84/56/61/401845661.db2.gz BMTCIIHNBMUGSX-IXDOHACOSA-N 1 1 307.434 2.461 40 0 DEABMO O=C(NC1CC1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042998 402049384 /nfs/dbraw/zinc/04/93/84/402049384.db2.gz UCVQFRRXAMLXGR-AEGPPILISA-N 1 1 306.431 2.006 40 0 DEABMO Cn1cnc2c1[C@H](COCC1CC1)C[N@@H+](CC1CCOCC1)C2 ZINC000096044940 402049704 /nfs/dbraw/zinc/04/97/04/402049704.db2.gz HOLSWJJFYVFYJK-INIZCTEOSA-N 1 1 319.449 2.173 40 0 DEABMO O=C1N(CC2CC2)CCC12CC[NH+](Cc1nccs1)CC2 ZINC000096046874 402050171 /nfs/dbraw/zinc/05/01/71/402050171.db2.gz PALVGIKZPNLGDF-UHFFFAOYSA-N 1 1 305.447 2.368 40 0 DEABMO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC000096047138 402050488 /nfs/dbraw/zinc/05/04/88/402050488.db2.gz PAGVNIULLOHTNG-IBGZPJMESA-N 1 1 313.445 2.349 40 0 DEABMO COCC[N@H+]1CCOC[C@@]2(CCCN(Cc3ccc(C)o3)C2)C1 ZINC000096049465 402050980 /nfs/dbraw/zinc/05/09/80/402050980.db2.gz OIODWXLRGXLYRZ-SFHVURJKSA-N 1 1 322.449 2.149 40 0 DEABMO COCCN1CCOC[C@@]2(CCC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000096049465 402050982 /nfs/dbraw/zinc/05/09/82/402050982.db2.gz OIODWXLRGXLYRZ-SFHVURJKSA-N 1 1 322.449 2.149 40 0 DEABMO COCCN1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(C)o3)C2)C1 ZINC000096049465 402050984 /nfs/dbraw/zinc/05/09/84/402050984.db2.gz OIODWXLRGXLYRZ-SFHVURJKSA-N 1 1 322.449 2.149 40 0 DEABMO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cccnc3)O2)n1 ZINC000096057521 402053512 /nfs/dbraw/zinc/05/35/12/402053512.db2.gz XJBHFEHBKRVRIT-RBSFLKMASA-N 1 1 300.362 2.268 40 0 DEABMO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)O1 ZINC000096057324 402053543 /nfs/dbraw/zinc/05/35/43/402053543.db2.gz RSOCSDMNHYTXDJ-OAGGEKHMSA-N 1 1 306.381 2.036 40 0 DEABMO c1coc(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)c1 ZINC000096059400 402054349 /nfs/dbraw/zinc/05/43/49/402054349.db2.gz KCTZFDOQZKVEAC-UHFFFAOYSA-N 1 1 300.406 2.478 40 0 DEABMO O=C([C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]21)N1CCCC1 ZINC000096058264 402054377 /nfs/dbraw/zinc/05/43/77/402054377.db2.gz MZHXUVCNBOVNBQ-IXDOHACOSA-N 1 1 318.417 2.129 40 0 DEABMO Cc1nc(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)N3CCCC3)C2)cs1 ZINC000096075005 402056780 /nfs/dbraw/zinc/05/67/80/402056780.db2.gz YJEKJLHXTQSYJO-GDBMZVCRSA-N 1 1 305.447 2.286 40 0 DEABMO Cc1nc(C[N@H+]2CC[C@@]3(C[C@@H]3C(=O)N3CCCC3)C2)cs1 ZINC000096075005 402056783 /nfs/dbraw/zinc/05/67/83/402056783.db2.gz YJEKJLHXTQSYJO-GDBMZVCRSA-N 1 1 305.447 2.286 40 0 DEABMO Cc1cccc(C(=O)N2CC[C@]3(CC[N@H+]3C[C@@H]3CCCO3)C2)c1 ZINC000096076021 402057131 /nfs/dbraw/zinc/05/71/31/402057131.db2.gz GLVIVQROPZRUQB-HKUYNNGSSA-N 1 1 314.429 2.464 40 0 DEABMO Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccc(C)n4)C[C@@H]3C2)nn1 ZINC000096081481 402057849 /nfs/dbraw/zinc/05/78/49/402057849.db2.gz JWBUEHYRODADCS-IAGOWNOFSA-N 1 1 323.444 2.447 40 0 DEABMO COC[C@@H]1CCC2(CCN(C(=O)c3csc(C)n3)CC2)[N@H+]1C ZINC000096208659 402069699 /nfs/dbraw/zinc/06/96/99/402069699.db2.gz CXIWRGHWKYEPPQ-ZDUSSCGKSA-N 1 1 323.462 2.167 40 0 DEABMO O=C1C[C@]2(CC[N@@H+](Cc3ccccn3)C2)CN1c1ccccn1 ZINC000096239141 402073352 /nfs/dbraw/zinc/07/33/52/402073352.db2.gz LJTYDGNXKJYDNZ-SFHVURJKSA-N 1 1 308.385 2.106 40 0 DEABMO O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CN1Cc1ccncc1 ZINC000096245149 402073817 /nfs/dbraw/zinc/07/38/17/402073817.db2.gz SLQBCQMLTDHWEI-ROUUACIJSA-N 1 1 307.397 2.172 40 0 DEABMO O=C1C[C@@]2(CC[N@@H+](Cc3cccs3)C2)CN1c1cncnc1 ZINC000096239200 402074280 /nfs/dbraw/zinc/07/42/80/402074280.db2.gz IEJGOMMPVBIDHK-MRXNPFEDSA-N 1 1 314.414 2.167 40 0 DEABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](CCOC)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261687 402076236 /nfs/dbraw/zinc/07/62/36/402076236.db2.gz MZWRRULIWZUOTK-RVKKMQEKSA-N 1 1 321.465 2.020 40 0 DEABMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000122962737 402103344 /nfs/dbraw/zinc/10/33/44/402103344.db2.gz BKKBBYUDMCCXDY-UHFFFAOYSA-N 1 1 303.337 2.258 40 0 DEABMO Cn1ccnc1C[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159538 402063451 /nfs/dbraw/zinc/06/34/51/402063451.db2.gz DMCAAEYZOYQDTP-INIZCTEOSA-N 1 1 316.430 2.111 40 0 DEABMO Cn1cccc1C[NH+]1CCC2(CC(N3CCOCC3)C2)CC1 ZINC000096159229 402063561 /nfs/dbraw/zinc/06/35/61/402063561.db2.gz WAZPQLVDOOEYDN-UHFFFAOYSA-N 1 1 303.450 2.102 40 0 DEABMO O=C(NC[C@@H]1OC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]12)C1CC1 ZINC000096185296 402065511 /nfs/dbraw/zinc/06/55/11/402065511.db2.gz JWQBFXSFAWSZNN-OAGGEKHMSA-N 1 1 320.458 2.111 40 0 DEABMO O=C(NC1CC1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096187264 402066121 /nfs/dbraw/zinc/06/61/21/402066121.db2.gz HPMSQNMLTZWDMT-RBSFLKMASA-N 1 1 306.431 2.149 40 0 DEABMO COCCN1CC[N@H+](Cc2ccc(C)o2)Cc2cccnc21 ZINC000096198850 402067153 /nfs/dbraw/zinc/06/71/53/402067153.db2.gz NIPAAZUSQFMIAA-UHFFFAOYSA-N 1 1 301.390 2.452 40 0 DEABMO COCCN1CC[N@@H+](Cc2ccc(C)o2)Cc2cccnc21 ZINC000096198850 402067156 /nfs/dbraw/zinc/06/71/56/402067156.db2.gz NIPAAZUSQFMIAA-UHFFFAOYSA-N 1 1 301.390 2.452 40 0 DEABMO c1cncc(C[C@H]2[C@@H](OCC3CC3)CC[N@H+]2[C@@H]2CCOC2)c1 ZINC000096200559 402068082 /nfs/dbraw/zinc/06/80/82/402068082.db2.gz RUSYQJTWRATFLC-SQNIBIBYSA-N 1 1 302.418 2.283 40 0 DEABMO Cc1cccc(N2CCC3(CN(Cc4cccnc4)C3=O)CC2)[nH+]1 ZINC000096202873 402068852 /nfs/dbraw/zinc/06/88/52/402068852.db2.gz SIKJPMSHNLRIER-UHFFFAOYSA-N 1 1 322.412 2.414 40 0 DEABMO Cc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000191152554 402645878 /nfs/dbraw/zinc/64/58/78/402645878.db2.gz UISYAABHPOMSFF-UHFFFAOYSA-N 1 1 309.841 2.016 40 0 DEABMO CNC(=O)C[N@H+]1CCC[C@@H](Cc2ccnc3ccncc23)CC1 ZINC000257247084 402708171 /nfs/dbraw/zinc/70/81/71/402708171.db2.gz IXIZMDYGLOTTFV-CQSZACIVSA-N 1 1 312.417 2.020 40 0 DEABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1c(C)noc1C ZINC000257251368 402708760 /nfs/dbraw/zinc/70/87/60/402708760.db2.gz JQLRKRUKDAMFHI-AWEZNQCLSA-N 1 1 315.373 2.087 40 0 DEABMO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2cn(C)nc2C)n1 ZINC000257251790 402709143 /nfs/dbraw/zinc/70/91/43/402709143.db2.gz JSGDEGSWBYNDOI-OAHLLOKOSA-N 1 1 300.410 2.287 40 0 DEABMO CNc1nccc([C@H]2CCCC[N@H+]2Cc2cn(C)nc2C)n1 ZINC000257251790 402709146 /nfs/dbraw/zinc/70/91/46/402709146.db2.gz JSGDEGSWBYNDOI-OAHLLOKOSA-N 1 1 300.410 2.287 40 0 DEABMO CNc1cc(C)[nH+]c([C@@H]2CN(Cc3c[nH]nc3C)CCO2)c1 ZINC000257258734 402709424 /nfs/dbraw/zinc/70/94/24/402709424.db2.gz KVHGVJKKLAIOLF-INIZCTEOSA-N 1 1 301.394 2.037 40 0 DEABMO CNc1cnc(C[C@H]2CCC[N@@H+](Cc3cc[nH]n3)CC2)cn1 ZINC000257258851 402709658 /nfs/dbraw/zinc/70/96/58/402709658.db2.gz KVTZKKCPBCQMFU-ZDUSSCGKSA-N 1 1 300.410 2.086 40 0 DEABMO Cc1c(C[N@@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)cnn1C ZINC000257262517 402710243 /nfs/dbraw/zinc/71/02/43/402710243.db2.gz LLSNCSUXVMLZCH-SQNIBIBYSA-N 1 1 315.417 2.131 40 0 DEABMO c1cnc(OCC[C@@H]2CCOC3(C[NH+](C4CCC4)C3)C2)cn1 ZINC000253588857 402669368 /nfs/dbraw/zinc/66/93/68/402669368.db2.gz VZHSLHDTNIQTHB-CQSZACIVSA-N 1 1 303.406 2.279 40 0 DEABMO CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@H+]2CCO ZINC000257203382 402702413 /nfs/dbraw/zinc/70/24/13/402702413.db2.gz APTXWXYGGDIIET-OKZBNKHCSA-N 1 1 302.418 2.195 40 0 DEABMO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2ccc3cnn(C)c3n2)C1 ZINC000257208258 402703086 /nfs/dbraw/zinc/70/30/86/402703086.db2.gz BLJFNYKLKUHVLD-AWEZNQCLSA-N 1 1 310.405 2.379 40 0 DEABMO O=C1NCC[C@]12C[N@@H+](CC1CCOCC1)C[C@H]2c1ccccc1 ZINC000096201830 280291014 /nfs/dbraw/zinc/29/10/14/280291014.db2.gz XUQRURFFSNMRPC-PKOBYXMFSA-N 1 1 314.429 2.019 40 0 DEABMO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)cn1 ZINC000019287215 282152154 /nfs/dbraw/zinc/15/21/54/282152154.db2.gz XUCVCNJSTCHBGM-IBGZPJMESA-N 1 1 322.412 2.106 40 0 DEABMO Cc1ncc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)cn1 ZINC000019287215 282152155 /nfs/dbraw/zinc/15/21/55/282152155.db2.gz XUCVCNJSTCHBGM-IBGZPJMESA-N 1 1 322.412 2.106 40 0 DEABMO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1ccoc1)CC2 ZINC000072339849 191125987 /nfs/dbraw/zinc/12/59/87/191125987.db2.gz CRDXIKDKYPCHBH-UHFFFAOYSA-N 1 1 308.341 2.396 40 0 DEABMO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1ccoc1)CC2 ZINC000072339849 191125989 /nfs/dbraw/zinc/12/59/89/191125989.db2.gz 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O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@H+](C3CCC3)CCN12 ZINC000085436184 401916194 /nfs/dbraw/zinc/91/61/94/401916194.db2.gz HWYNHTJWEQUUEI-MRXNPFEDSA-N 1 1 303.381 2.300 40 0 biogenic,in-vitro DEABMO C[N@@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CCOCC2)C1 ZINC000096045169 402049430 /nfs/dbraw/zinc/04/94/30/402049430.db2.gz HVPRNOWWUJVPDP-MRXNPFEDSA-N 1 1 319.449 2.265 40 0 DEABMO O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]21 ZINC000096043487 402049613 /nfs/dbraw/zinc/04/96/13/402049613.db2.gz ILVDYYRYHUALGY-BRWVUGGUSA-N 1 1 318.417 2.033 40 0 DEABMO c1cc(CN2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)co1 ZINC000096055027 402052454 /nfs/dbraw/zinc/05/24/54/402052454.db2.gz NJHFQNBCGMPLHH-QZTJIDSGSA-N 1 1 313.401 2.150 40 0 DEABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccn2)N1Cc1ccncc1 ZINC000096056601 402053010 /nfs/dbraw/zinc/05/30/10/402053010.db2.gz LXTQXVIVGVXUMX-QZTJIDSGSA-N 1 1 322.412 2.242 40 0 DEABMO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)O1 ZINC000096057471 402053427 /nfs/dbraw/zinc/05/34/27/402053427.db2.gz RSOCSDMNHYTXDJ-BZUAXINKSA-N 1 1 306.381 2.036 40 0 DEABMO c1cc(CO[C@@H]2C[N@H+](C3CCOCC3)[C@@H]3CCCO[C@H]23)ccn1 ZINC000096065952 402055357 /nfs/dbraw/zinc/05/53/57/402055357.db2.gz MHUMEXKCLKGRJH-KURKYZTESA-N 1 1 318.417 2.009 40 0 DEABMO c1ccc(N2CC[C@]3(C2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096062478 402055400 /nfs/dbraw/zinc/05/54/00/402055400.db2.gz QXWAHKREBZECCC-IBGZPJMESA-N 1 1 324.428 2.206 40 0 DEABMO O=C(NCc1ccco1)[C@H]1CO[C@H]2CC[N@@H+](CC3CC3)C[C@H]2C1 ZINC000096066026 402055873 /nfs/dbraw/zinc/05/58/73/402055873.db2.gz HFJJVNLMSJSAQO-INMHGKMJSA-N 1 1 318.417 2.033 40 0 DEABMO COCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C1 ZINC000096081405 402057829 /nfs/dbraw/zinc/05/78/29/402057829.db2.gz KNQPRNLPOQIEAO-JKSUJKDBSA-N 1 1 302.418 2.035 40 0 DEABMO O=C(c1cccnc1)N1CCC2(C[NH+](Cc3ccsc3)C2)C1 ZINC000096202729 402069030 /nfs/dbraw/zinc/06/90/30/402069030.db2.gz PYFTYOOPJNIMRR-UHFFFAOYSA-N 1 1 313.426 2.491 40 0 DEABMO O=C1CC[C@@]2(CCC[N@H+](CCO)CC2)N1Cc1ccccc1 ZINC000096218167 402071190 /nfs/dbraw/zinc/07/11/90/402071190.db2.gz AMPBUOSDXBFTJS-GOSISDBHSA-N 1 1 302.418 2.026 40 0 DEABMO O=C(C[C@@H]1CO[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]12)NCC1CC1 ZINC000096219552 402071378 /nfs/dbraw/zinc/07/13/78/402071378.db2.gz MMOJTCRWUYCVRK-BRWVUGGUSA-N 1 1 306.450 2.040 40 0 DEABMO COCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)C1=O ZINC000096224038 402072131 /nfs/dbraw/zinc/07/21/31/402072131.db2.gz UXOIHGHIALBEED-SFHVURJKSA-N 1 1 320.408 2.287 40 0 DEABMO CC(C)C[N@H+]1CC[C@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244109 402074024 /nfs/dbraw/zinc/07/40/24/402074024.db2.gz RZEYEOOOVAKSOF-SFHVURJKSA-N 1 1 316.449 2.428 40 0 DEABMO O=C(c1cccnc1)N1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC000096202766 402068968 /nfs/dbraw/zinc/06/89/68/402068968.db2.gz GIMOUOBLXZFHSM-UHFFFAOYSA-N 1 1 313.426 2.491 40 0 DEABMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)CC1 ZINC000222689772 402307887 /nfs/dbraw/zinc/30/78/87/402307887.db2.gz IKPYIKCJFYVPKC-HNNXBMFYSA-N 1 1 316.445 2.497 40 0 DEABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COC ZINC000224689417 402314574 /nfs/dbraw/zinc/31/45/74/402314574.db2.gz PNNUCXGSPOOMRE-UHFFFAOYSA-N 1 1 306.406 2.009 40 0 DEABMO CCC[NH+](CCC)c1ccc(N)cc1C(=O)N1CCOCC1 ZINC000226323669 402327127 /nfs/dbraw/zinc/32/71/27/402327127.db2.gz FLRPXZXKTUMMQU-UHFFFAOYSA-N 1 1 305.422 2.368 40 0 DEABMO c1cc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)cs1 ZINC000247976868 402579135 /nfs/dbraw/zinc/57/91/35/402579135.db2.gz VMFXRCQVUDEANT-RBSFLKMASA-N 1 1 304.419 2.019 40 0 DEABMO c1cc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)cs1 ZINC000247976868 402579137 /nfs/dbraw/zinc/57/91/37/402579137.db2.gz VMFXRCQVUDEANT-RBSFLKMASA-N 1 1 304.419 2.019 40 0 DEABMO Cc1cc([C@H]2C[N@H+](CC3(O)CCCCC3)CCO2)nc(C)n1 ZINC000257233334 402706774 /nfs/dbraw/zinc/70/67/74/402706774.db2.gz GOVQIWLDUBTKDB-MRXNPFEDSA-N 1 1 305.422 2.162 40 0 DEABMO Cc1cc([C@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)nc(C)n1 ZINC000257233334 402706776 /nfs/dbraw/zinc/70/67/76/402706776.db2.gz GOVQIWLDUBTKDB-MRXNPFEDSA-N 1 1 305.422 2.162 40 0 DEABMO CNc1cnc(C[C@H]2CCC[N@@H+](Cc3[nH]cnc3C)CC2)cn1 ZINC000257246421 402708050 /nfs/dbraw/zinc/70/80/50/402708050.db2.gz IUBHYRMUBJCROS-AWEZNQCLSA-N 1 1 314.437 2.395 40 0 DEABMO c1ccn(C[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3CC2CCOCC2)c1 ZINC000253479038 402667522 /nfs/dbraw/zinc/66/75/22/402667522.db2.gz OIKWPODUUSYQHE-KSZLIROESA-N 1 1 304.434 2.394 40 0 DEABMO C[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000253575451 402669024 /nfs/dbraw/zinc/66/90/24/402669024.db2.gz UPPUPRYAOMKZAB-HZMBPMFUSA-N 1 1 308.328 2.329 40 0 DEABMO C[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000253575451 402669029 /nfs/dbraw/zinc/66/90/29/402669029.db2.gz UPPUPRYAOMKZAB-HZMBPMFUSA-N 1 1 308.328 2.329 40 0 DEABMO C[N@H+]1CCCN(C(=O)N[C@H]2CCCOc3c(F)cccc32)CC1 ZINC000272516308 277047947 /nfs/dbraw/zinc/04/79/47/277047947.db2.gz NCVVFLFICXEPCH-HNNXBMFYSA-N 1 1 321.396 2.387 40 0 DEABMO O=C(OCc1ccccc1)N(C[C@H]1CC[N@H+](CCO)C1)C1CC1 ZINC000079411257 185169953 /nfs/dbraw/zinc/16/99/53/185169953.db2.gz SAYFEELLMPJZDY-INIZCTEOSA-N 1 1 318.417 2.102 40 0 DEABMO O=C(OCc1ccccc1)N1CCC[C@@H]([N@@H+](CCO)C2CC2)C1 ZINC000079391744 185168416 /nfs/dbraw/zinc/16/84/16/185168416.db2.gz OISJMILIJKPZRF-QGZVFWFLSA-N 1 1 318.417 2.244 40 0 DEABMO O=C([O-])C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393466 185168929 /nfs/dbraw/zinc/16/89/29/185168929.db2.gz ODVKTMIVOCUGLY-MRXNPFEDSA-N 1 1 302.418 2.448 40 0 DEABMO O=C([O-])C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393466 185168930 /nfs/dbraw/zinc/16/89/30/185168930.db2.gz ODVKTMIVOCUGLY-MRXNPFEDSA-N 1 1 302.418 2.448 40 0 DEABMO O=C([O-])C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393466 185168931 /nfs/dbraw/zinc/16/89/31/185168931.db2.gz ODVKTMIVOCUGLY-MRXNPFEDSA-N 1 1 302.418 2.448 40 0 DEABMO C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000082315036 185175396 /nfs/dbraw/zinc/17/53/96/185175396.db2.gz UTKAGLPXHIMREX-CQSZACIVSA-N 1 1 321.852 2.330 40 0 DEABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)C2CCC2)n1 ZINC000072378498 191141439 /nfs/dbraw/zinc/14/14/39/191141439.db2.gz XGQGVHDKHKRJML-OAHLLOKOSA-N 1 1 311.389 2.434 40 0 DEABMO CC1CCN(C(=O)c2cnc(C[C@H]3CCC[N@@H+](C)C3)cn2)CC1 ZINC000072387200 191144711 /nfs/dbraw/zinc/14/47/11/191144711.db2.gz PZWJUJPTMUHPAT-OAHLLOKOSA-N 1 1 316.449 2.233 40 0 DEABMO CCn1c2ccccc2nc1C[N@@H+]1CC[C@H]2NC(=O)CCC[C@H]21 ZINC000019713256 354045246 /nfs/dbraw/zinc/04/52/46/354045246.db2.gz ODHCIHXKJASYLM-HUUCEWRRSA-N 1 1 312.417 2.299 40 0 DEABMO CCn1c2ccccc2nc1C[N@H+]1CC[C@H]2NC(=O)CCC[C@H]21 ZINC000019713256 354045251 /nfs/dbraw/zinc/04/52/51/354045251.db2.gz ODHCIHXKJASYLM-HUUCEWRRSA-N 1 1 312.417 2.299 40 0 DEABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1ccc(Cl)cc1 ZINC000004503956 181116368 /nfs/dbraw/zinc/11/63/68/181116368.db2.gz RUBITVVMWYOUKW-BFHYXJOUSA-N 1 1 321.808 2.068 40 0 DEABMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000078578556 191888802 /nfs/dbraw/zinc/88/88/02/191888802.db2.gz MHHBPQDADNRPRZ-QGZVFWFLSA-N 1 1 315.461 2.294 40 0 DEABMO C[N@H+]1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102063 357332709 /nfs/dbraw/zinc/33/27/09/357332709.db2.gz PSJQKQBOQHNPNS-AWEZNQCLSA-N 1 1 313.323 2.411 40 0 DEABMO Cc1ccccc1OC[C@@]1(O)CC[N@@H+](CC2CCOCC2)C1 ZINC000585273334 357341115 /nfs/dbraw/zinc/34/11/15/357341115.db2.gz BYAZHYGLQLCJMZ-GOSISDBHSA-N 1 1 305.418 2.237 40 0 DEABMO NC(=O)CC[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000585279833 357343100 /nfs/dbraw/zinc/34/31/00/357343100.db2.gz ZNXJLZPEVFGHPA-HNNXBMFYSA-N 1 1 314.788 2.072 40 0 DEABMO NC(=O)CC[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000585279833 357343103 /nfs/dbraw/zinc/34/31/03/357343103.db2.gz ZNXJLZPEVFGHPA-HNNXBMFYSA-N 1 1 314.788 2.072 40 0 DEABMO CCn1cncc1C[N@@H+]1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585278541 357343510 /nfs/dbraw/zinc/34/35/10/357343510.db2.gz TZZOPZBZIUSBKD-KRWDZBQOSA-N 1 1 319.380 2.058 40 0 DEABMO CCn1cncc1C[N@H+]1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585278541 357343514 /nfs/dbraw/zinc/34/35/14/357343514.db2.gz TZZOPZBZIUSBKD-KRWDZBQOSA-N 1 1 319.380 2.058 40 0 DEABMO OCC[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1F ZINC000006529471 181351140 /nfs/dbraw/zinc/35/11/40/181351140.db2.gz ZEZLDTKVELRIGV-MRXNPFEDSA-N 1 1 319.376 2.060 40 0 DEABMO O=C([C@@H]1COC[C@H]2C[N@H+](C3CCCC3)C[C@H]21)N1CCC(F)CC1 ZINC000096038634 296058654 /nfs/dbraw/zinc/05/86/54/296058654.db2.gz AALJWCHVSQNEQH-KBRIMQKVSA-N 1 1 324.440 2.084 40 0 DEABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000257296758 203021342 /nfs/dbraw/zinc/02/13/42/203021342.db2.gz REGVCFGCGHDTRA-SFHVURJKSA-N 1 1 310.401 2.450 40 0 DEABMO CCCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257343737 203064065 /nfs/dbraw/zinc/06/40/65/203064065.db2.gz ZUEZNNLLGYHDGG-CQSZACIVSA-N 1 1 311.451 2.030 40 0 DEABMO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](CCO)CC1 ZINC000019597519 182133184 /nfs/dbraw/zinc/13/31/84/182133184.db2.gz AZITVKIJGCYJBW-UHFFFAOYSA-N 1 1 318.204 2.135 40 0 DEABMO Cc1ncncc1C(=O)N1CCC([C@@H]2CCCC[N@@H+]2C)CC1 ZINC000019746993 182141939 /nfs/dbraw/zinc/14/19/39/182141939.db2.gz PXERLRFWFPWHFW-INIZCTEOSA-N 1 1 302.422 2.122 40 0 DEABMO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](CC)CC1 ZINC000020459905 182219948 /nfs/dbraw/zinc/21/99/48/182219948.db2.gz UTXRNOKXOBHXKY-MRXNPFEDSA-N 1 1 306.406 2.017 40 0 DEABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000072228183 257121661 /nfs/dbraw/zinc/12/16/61/257121661.db2.gz FVBINQHIDRCJON-HOTGVXAUSA-N 1 1 300.333 2.245 40 0 DEABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2cccc(F)c2)cc1OC ZINC000072227619 257122445 /nfs/dbraw/zinc/12/24/45/257122445.db2.gz XAUAMXADFQTYAR-HOTGVXAUSA-N 1 1 316.332 2.258 40 0 DEABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccco1 ZINC000072227289 257122475 /nfs/dbraw/zinc/12/24/75/257122475.db2.gz PQLUFAUBKUCADG-NEPJUHHUSA-N 1 1 307.147 2.457 40 0 DEABMO CC(=O)N1CC[N@@H+](C(C)C)C[C@H]1c1cccc(C(=O)N(C)C)c1 ZINC000072367735 401709805 /nfs/dbraw/zinc/70/98/05/401709805.db2.gz AUDNEWOOILYLRS-KRWDZBQOSA-N 1 1 317.433 2.002 40 0 DEABMO CC(=O)N1CC[N@H+](C(C)C)C[C@H]1c1cccc(C(=O)N(C)C)c1 ZINC000072367735 401709809 /nfs/dbraw/zinc/70/98/09/401709809.db2.gz AUDNEWOOILYLRS-KRWDZBQOSA-N 1 1 317.433 2.002 40 0 DEABMO CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)C[NH3+] ZINC000079424368 401873295 /nfs/dbraw/zinc/87/32/95/401873295.db2.gz SLSLEVBACFIQHJ-QGZVFWFLSA-N 1 1 303.450 2.237 40 0 DEABMO Cc1ccc(C)c(NC(=O)C[C@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)c1 ZINC000036648851 401906330 /nfs/dbraw/zinc/90/63/30/401906330.db2.gz LQHKTXSSOCDZMI-SQWLQELKSA-N 1 1 315.417 2.031 40 0 DEABMO O=C1N(c2ccccn2)C[C@H]2C[N@@H+](Cc3ccccc3)CCN12 ZINC000085436154 401916094 /nfs/dbraw/zinc/91/60/94/401916094.db2.gz ULYLPVCFSJSDCZ-MRXNPFEDSA-N 1 1 308.385 2.208 40 0 biogenic,in-vitro DEABMO O=C1N(c2ccccn2)C[C@H]2C[N@H+](Cc3ccccc3)CCN12 ZINC000085436154 401916096 /nfs/dbraw/zinc/91/60/96/401916096.db2.gz ULYLPVCFSJSDCZ-MRXNPFEDSA-N 1 1 308.385 2.208 40 0 biogenic,in-vitro DEABMO Cn1cc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cn1 ZINC000096109359 402059493 /nfs/dbraw/zinc/05/94/93/402059493.db2.gz WQFQJEOQPFXQCL-AEFFLSMTSA-N 1 1 312.417 2.496 40 0 DEABMO O=C(C1CCOCC1)N1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC000096046499 402050554 /nfs/dbraw/zinc/05/05/54/402050554.db2.gz BRMRZPWJYXXQKR-UHFFFAOYSA-N 1 1 320.458 2.209 40 0 DEABMO c1cc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)co1 ZINC000096048332 402050677 /nfs/dbraw/zinc/05/06/77/402050677.db2.gz DBQXZXVFMHHACF-NVXWUHKLSA-N 1 1 314.389 2.305 40 0 DEABMO c1csc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@@H]32)c1 ZINC000096055359 402052899 /nfs/dbraw/zinc/05/28/99/402052899.db2.gz QCQAOFFAMRPJHK-VHDGCEQUSA-N 1 1 304.419 2.019 40 0 DEABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@@H]32)c1 ZINC000096055359 402052900 /nfs/dbraw/zinc/05/29/00/402052900.db2.gz QCQAOFFAMRPJHK-VHDGCEQUSA-N 1 1 304.419 2.019 40 0 DEABMO O=C(NC[C@@H]1OC[C@@H]2C[N@@H+](Cc3cccs3)CC[C@H]12)C1CC1 ZINC000096057585 402053580 /nfs/dbraw/zinc/05/35/80/402053580.db2.gz UMWHGEBMMMKHMU-BPUTZDHNSA-N 1 1 320.458 2.111 40 0 DEABMO CN(Cc1cn2c(n1)C[N@H+](CC1CC1)CC2)Cc1ccco1 ZINC000096059536 402053920 /nfs/dbraw/zinc/05/39/20/402053920.db2.gz FXMWCVLOSSNFNG-UHFFFAOYSA-N 1 1 300.406 2.334 40 0 DEABMO c1cnc(NC[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)nc1 ZINC000096075797 402057146 /nfs/dbraw/zinc/05/71/46/402057146.db2.gz SESLLRUXPFAIIQ-RDJZCZTQSA-N 1 1 302.422 2.170 40 0 DEABMO c1cnc(NCc2n[nH]c3c2CC[N@@H+](CC2CCCC2)C3)nc1 ZINC000096084124 402057709 /nfs/dbraw/zinc/05/77/09/402057709.db2.gz JAZYSHNHOOZYND-UHFFFAOYSA-N 1 1 312.421 2.360 40 0 DEABMO c1cnc(NCc2[nH]nc3c2CC[N@H+](CC2CCCC2)C3)nc1 ZINC000096084124 402057711 /nfs/dbraw/zinc/05/77/11/402057711.db2.gz JAZYSHNHOOZYND-UHFFFAOYSA-N 1 1 312.421 2.360 40 0 DEABMO c1cnc(NCc2[nH]nc3c2CC[N@@H+](CC2CCCC2)C3)nc1 ZINC000096084124 402057712 /nfs/dbraw/zinc/05/77/12/402057712.db2.gz 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402064150 /nfs/dbraw/zinc/06/41/50/402064150.db2.gz LKQLTEWFTNOOEZ-OKILXGFUSA-N 1 1 315.442 2.291 40 0 DEABMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC000096184575 402065574 /nfs/dbraw/zinc/06/55/74/402065574.db2.gz LWVIQRYTIXFTJN-CABCVRRESA-N 1 1 314.414 2.027 40 0 DEABMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC000096184575 402065575 /nfs/dbraw/zinc/06/55/75/402065575.db2.gz LWVIQRYTIXFTJN-CABCVRRESA-N 1 1 314.414 2.027 40 0 DEABMO O=C(NCc1cccs1)[C@@H]1C[N@H+](CC2CC2)Cc2ccnn21 ZINC000247490540 402568692 /nfs/dbraw/zinc/56/86/92/402568692.db2.gz MGVOGEYYDSWKJH-HNNXBMFYSA-N 1 1 316.430 2.028 40 0 DEABMO O=C(NCc1cccs1)[C@@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000247490540 402568697 /nfs/dbraw/zinc/56/86/97/402568697.db2.gz MGVOGEYYDSWKJH-HNNXBMFYSA-N 1 1 316.430 2.028 40 0 DEABMO Cc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCCC4)[C@@H](C2)O3)c1 ZINC000247924376 402577929 /nfs/dbraw/zinc/57/79/29/402577929.db2.gz OTAJAFQPSRNQSS-KZNAEPCWSA-N 1 1 314.429 2.207 40 0 DEABMO Cc1cccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)N4CCCC4)[C@@H](C2)O3)c1 ZINC000247924376 402577931 /nfs/dbraw/zinc/57/79/31/402577931.db2.gz OTAJAFQPSRNQSS-KZNAEPCWSA-N 1 1 314.429 2.207 40 0 DEABMO Cc1cc(N)cc([C@@H]2CN(CC3(O)CCCCC3)CCO2)[nH+]1 ZINC000257239667 402707749 /nfs/dbraw/zinc/70/77/49/402707749.db2.gz HQHQJAMDMWUVDG-INIZCTEOSA-N 1 1 305.422 2.041 40 0 DEABMO Cc1cc(CC[C@@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)ncn1 ZINC000257290833 402711141 /nfs/dbraw/zinc/71/11/41/402711141.db2.gz QEMZBCMOWRQYPC-QGZVFWFLSA-N 1 1 319.449 2.114 40 0 DEABMO C[C@]12C[N@H+](Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@@H]2N ZINC000253591737 402669961 /nfs/dbraw/zinc/66/99/61/402669961.db2.gz TWXVMGOZCGGXHQ-HBFSDRIKSA-N 1 1 321.424 2.321 40 0 DEABMO C[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@@H]2N ZINC000253591737 402669962 /nfs/dbraw/zinc/66/99/62/402669962.db2.gz TWXVMGOZCGGXHQ-HBFSDRIKSA-N 1 1 321.424 2.321 40 0 DEABMO CC(C)Oc1ccc([C@H]2C[NH2+]CCN2Cc2cnc[nH]2)cc1 ZINC000257204546 402702253 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Clc1ccc2nncc(NCCC[NH+]3CCOCC3)c2c1 ZINC000046087762 1078371663 /nfs/dbraw/zinc/37/16/63/1078371663.db2.gz DJGJQCGKTRFMKB-UHFFFAOYSA-N 1 1 306.797 2.417 40 0 DEABMO Cc1cccc(C[N@H+]2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)n1 ZINC000306133359 231088152 /nfs/dbraw/zinc/08/81/52/231088152.db2.gz MJNPRSZRHIDFND-KBAYOESNSA-N 1 1 324.428 2.344 40 0 DEABMO CC[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391683 185168312 /nfs/dbraw/zinc/16/83/12/185168312.db2.gz DKKKNTGBCSBRBJ-KRWDZBQOSA-N 1 1 320.433 2.492 40 0 DEABMO CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079394292 185168848 /nfs/dbraw/zinc/16/88/48/185168848.db2.gz NMPUBZIIOZLDBX-IRXDYDNUSA-N 1 1 303.450 2.093 40 0 DEABMO Cc1nc(Nc2nccs2)cc([C@H]2CCC[N@H+]2CCO)n1 ZINC000072360136 191130220 /nfs/dbraw/zinc/13/02/20/191130220.db2.gz CCBYGWUZQSABIZ-GFCCVEGCSA-N 1 1 305.407 2.114 40 0 DEABMO CC(C)[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358300 191130904 /nfs/dbraw/zinc/13/09/04/191130904.db2.gz 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Cc1cccc(OC[C@]2(O)CCC[N@H+](Cc3cncnc3)C2)c1 ZINC000585269236 357340705 /nfs/dbraw/zinc/34/07/05/357340705.db2.gz MLWCJRSSFFZNHZ-SFHVURJKSA-N 1 1 313.401 2.191 40 0 DEABMO Cc1cccc(OC[C@]2(O)CCC[N@@H+](Cc3cncnc3)C2)c1 ZINC000585269236 357340711 /nfs/dbraw/zinc/34/07/11/357340711.db2.gz MLWCJRSSFFZNHZ-SFHVURJKSA-N 1 1 313.401 2.191 40 0 DEABMO CCc1cc(C[N@@H+]2CC[C@](O)(COc3cccc(F)c3)C2)on1 ZINC000585276320 357341987 /nfs/dbraw/zinc/34/19/87/357341987.db2.gz ICTBCJPHZRKVAI-QGZVFWFLSA-N 1 1 320.364 2.392 40 0 DEABMO CCc1cc(C[N@H+]2CC[C@](O)(COc3cccc(F)c3)C2)on1 ZINC000585276320 357341988 /nfs/dbraw/zinc/34/19/88/357341988.db2.gz ICTBCJPHZRKVAI-QGZVFWFLSA-N 1 1 320.364 2.392 40 0 DEABMO Cc1ccc(OC[C@@]2(O)C[N@H+](C3CCCC3)CC[C@@H]2O)cc1 ZINC000585284232 357344542 /nfs/dbraw/zinc/34/45/42/357344542.db2.gz VWFSJKIQPWVKRC-ROUUACIJSA-N 1 1 305.418 2.114 40 0 DEABMO Cc1ncsc1C[NH+]1CC2(C1)CO[C@H](Cc1cncnc1)C2 ZINC000257293501 203019788 /nfs/dbraw/zinc/01/97/88/203019788.db2.gz QPTDAUZKVSFOSI-CQSZACIVSA-N 1 1 316.430 2.075 40 0 DEABMO Cc1cc(N)cc([C@@H]2CN(CCOc3ccccc3)CCO2)[nH+]1 ZINC000257331062 203054684 /nfs/dbraw/zinc/05/46/84/203054684.db2.gz XRFQRRSNJSGLNH-SFHVURJKSA-N 1 1 313.401 2.425 40 0 DEABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](Cc2ccc(C)nc2)C1 ZINC000257317418 203041357 /nfs/dbraw/zinc/04/13/57/203041357.db2.gz VJRGIQBVUUFYRO-QGZVFWFLSA-N 1 1 312.417 2.376 40 0 DEABMO Cc1ncsc1-c1ccc(C(=O)N2CCC[N@H+](C)CC2)cn1 ZINC000257337979 203060667 /nfs/dbraw/zinc/06/06/67/203060667.db2.gz YVGYYUWFPPBMRL-UHFFFAOYSA-N 1 1 316.430 2.291 40 0 DEABMO O=C(c1cscn1)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC000096080970 193528494 /nfs/dbraw/zinc/52/84/94/193528494.db2.gz YDEFBYREERBPKZ-OKILXGFUSA-N 1 1 305.447 2.337 40 0 DEABMO CC(C)CC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019446425 182123445 /nfs/dbraw/zinc/12/34/45/182123445.db2.gz HOXWJZLEVNDNBZ-HNNXBMFYSA-N 1 1 302.422 2.174 40 0 DEABMO C[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000041019236 183156690 /nfs/dbraw/zinc/15/66/90/183156690.db2.gz AVOSLHYTJPSEDD-UHFFFAOYSA-N 1 1 317.364 2.187 40 0 DEABMO C[C@@H]1CCC[N@@H+](C[C@H](O)COCCOc2ccc(F)cc2)C1 ZINC000041690217 183217908 /nfs/dbraw/zinc/21/79/08/183217908.db2.gz FTGWBCGALZPYGI-ZBFHGGJFSA-N 1 1 311.397 2.314 40 0 DEABMO COc1cccc([C@@H]2[C@H]([NH3+])C(=O)N2Cc2ccc(F)cc2)c1 ZINC000072228214 257122461 /nfs/dbraw/zinc/12/24/61/257122461.db2.gz IEGPLOSUACSWNI-JKSUJKDBSA-N 1 1 300.333 2.245 40 0 DEABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(F)cc2)cc1OC ZINC000072227204 257122732 /nfs/dbraw/zinc/12/27/32/257122732.db2.gz KGVQAEUIDZKXHY-HZPDHXFCSA-N 1 1 316.332 2.258 40 0 DEABMO CC(C)C[N@H+]1C[C@@H]2CN(Cc3nccs3)CCN2C(C)(C)C1 ZINC000514288611 257216220 /nfs/dbraw/zinc/21/62/20/257216220.db2.gz DHWKUAYIVRYYPJ-HNNXBMFYSA-N 1 1 322.522 2.380 40 0 biogenic,in-vitro DEABMO COc1ccc(C(=O)N2CCC[C@@]3(C[N@@H+](C)CCO3)CC2)cc1 ZINC000306131888 533299602 /nfs/dbraw/zinc/29/96/02/533299602.db2.gz KSCIMHRKYGJYOL-SFHVURJKSA-N 1 1 318.417 2.022 40 0 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c1csc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096219338 402071585 /nfs/dbraw/zinc/07/15/85/402071585.db2.gz YZURFVWBQNALLG-BBRMVZONSA-N 1 1 316.430 2.384 40 0 DEABMO COCCN1CC[C@]2(CCC[N@@H+](Cc3ccsc3)C2)C1=O ZINC000096223957 402071668 /nfs/dbraw/zinc/07/16/68/402071668.db2.gz NVUIXPKEDZFKRC-INIZCTEOSA-N 1 1 308.447 2.209 40 0 DEABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228881 402072675 /nfs/dbraw/zinc/07/26/75/402072675.db2.gz WOHAEXZFLLQRCD-INIZCTEOSA-N 1 1 308.447 2.323 40 0 DEABMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)s1 ZINC000096245983 402073749 /nfs/dbraw/zinc/07/37/49/402073749.db2.gz QFDDOQBKLRTRGF-GJZGRUSLSA-N 1 1 316.430 2.170 40 0 DEABMO c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3CC2CCOCC2)c1 ZINC000096250196 402074596 /nfs/dbraw/zinc/07/45/96/402074596.db2.gz OIKWPODUUSYQHE-OKZBNKHCSA-N 1 1 304.434 2.394 40 0 DEABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)c1ccco1)CCC2 ZINC000096259213 402075628 /nfs/dbraw/zinc/07/56/28/402075628.db2.gz NRIYOSLLYCTLSS-UHFFFAOYSA-N 1 1 316.405 2.362 40 0 DEABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)c1ccco1)CCC2 ZINC000096259213 402075630 /nfs/dbraw/zinc/07/56/30/402075630.db2.gz NRIYOSLLYCTLSS-UHFFFAOYSA-N 1 1 316.405 2.362 40 0 DEABMO c1csc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)n1 ZINC000096255441 402075675 /nfs/dbraw/zinc/07/56/75/402075675.db2.gz ZJCYNHQKOMINTG-UHFFFAOYSA-N 1 1 315.446 2.134 40 0 DEABMO c1csc(C[N@H+]2CCc3ncnc(N4CCCC4)c3CC2)n1 ZINC000096255441 402075677 /nfs/dbraw/zinc/07/56/77/402075677.db2.gz ZJCYNHQKOMINTG-UHFFFAOYSA-N 1 1 315.446 2.134 40 0 DEABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]12)NC1CC1 ZINC000096206050 402068649 /nfs/dbraw/zinc/06/86/49/402068649.db2.gz VWPRVUCMBKGICY-FVQBIDKESA-N 1 1 320.458 2.254 40 0 DEABMO COCCN1CCO[C@H]2CC[N@@H+](Cc3cccc(F)c3C)C[C@@H]21 ZINC000108526720 402255414 /nfs/dbraw/zinc/25/54/14/402255414.db2.gz HLFTXMIOZSFDQA-ROUUACIJSA-N 1 1 322.424 2.056 40 0 DEABMO CS(=O)(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000220646934 402301953 /nfs/dbraw/zinc/30/19/53/402301953.db2.gz QISXOSMPERVACV-UHFFFAOYSA-N 1 1 313.810 2.239 40 0 DEABMO c1csc(C[N@H+]2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@@H]32)c1 ZINC000247841335 402576770 /nfs/dbraw/zinc/57/67/70/402576770.db2.gz QCQAOFFAMRPJHK-AEGPPILISA-N 1 1 304.419 2.019 40 0 DEABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@@H]32)c1 ZINC000247841335 402576772 /nfs/dbraw/zinc/57/67/72/402576772.db2.gz QCQAOFFAMRPJHK-AEGPPILISA-N 1 1 304.419 2.019 40 0 DEABMO COc1cc(OC)c([C@@H]2CC[N@@H+](C)C[C@@H]2OC(C)=O)c(OC)c1 ZINC000100458160 286240438 /nfs/dbraw/zinc/24/04/38/286240438.db2.gz AHNPFVYJZRFONV-CJNGLKHVSA-N 1 1 323.389 2.063 40 0 DEABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cc1cccs1 ZINC000257217965 402704180 /nfs/dbraw/zinc/70/41/80/402704180.db2.gz DBIUIMRAEHISFP-OAHLLOKOSA-N 1 1 316.426 2.472 40 0 DEABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257253824 402708677 /nfs/dbraw/zinc/70/86/77/402708677.db2.gz KAKANTGVCFMQIB-CQSZACIVSA-N 1 1 310.405 2.367 40 0 DEABMO CNc1nccnc1C[C@@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000257282894 402711364 /nfs/dbraw/zinc/71/13/64/402711364.db2.gz OVTJZTGSTIPMCR-AWEZNQCLSA-N 1 1 312.421 2.071 40 0 DEABMO COc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000260733097 402713210 /nfs/dbraw/zinc/71/32/10/402713210.db2.gz FFGYNOJTBXJHJU-ZDUSSCGKSA-N 1 1 322.478 2.499 40 0 DEABMO C[C@H]1c2nc(CC(=O)NC3CC3)cn2CC[N@@H+]1C1CCCC1 ZINC000253591166 402668989 /nfs/dbraw/zinc/66/89/89/402668989.db2.gz KKNYJBMANUOGTN-LBPRGKRZSA-N 1 1 302.422 2.023 40 0 DEABMO C[C@H]1c2nc(CC(=O)NC3CC3)cn2CC[N@H+]1C1CCCC1 ZINC000253591166 402668993 /nfs/dbraw/zinc/66/89/93/402668993.db2.gz KKNYJBMANUOGTN-LBPRGKRZSA-N 1 1 302.422 2.023 40 0 DEABMO c1cncc(-c2ncc3c(n2)[C@]2(CC[N@H+](CC4CC4)C2)COC3)c1 ZINC000096080375 275073771 /nfs/dbraw/zinc/07/37/71/275073771.db2.gz LRSVXDPUHTYNER-IBGZPJMESA-N 1 1 322.412 2.422 40 0 DEABMO CC(C)[N@@H+](CCO)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391716 185168319 /nfs/dbraw/zinc/16/83/19/185168319.db2.gz DBABLFRCGQMVOM-UHFFFAOYSA-N 1 1 320.433 2.490 40 0 DEABMO c1cn(-c2cncc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cn1 ZINC000072355432 191128491 /nfs/dbraw/zinc/12/84/91/191128491.db2.gz ZRMXNPZJYLUMRQ-MRXNPFEDSA-N 1 1 320.400 2.437 40 0 DEABMO CC(C)[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358301 191130493 /nfs/dbraw/zinc/13/04/93/191130493.db2.gz TZMAWPYSTPWTOF-OAHLLOKOSA-N 1 1 317.433 2.142 40 0 DEABMO c1cn(-c2cncc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)cn1 ZINC000072378621 191141489 /nfs/dbraw/zinc/14/14/89/191141489.db2.gz JKZJMSADDLYRTQ-INIZCTEOSA-N 1 1 306.373 2.394 40 0 DEABMO c1cn(-c2cncc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)cn1 ZINC000072378621 191141495 /nfs/dbraw/zinc/14/14/95/191141495.db2.gz JKZJMSADDLYRTQ-INIZCTEOSA-N 1 1 306.373 2.394 40 0 DEABMO C[N@H+]1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005065158 283060618 /nfs/dbraw/zinc/06/06/18/283060618.db2.gz OVGMKPGXRHJNKJ-SJLPKXTDSA-N 1 1 303.402 2.312 40 0 in-vitro DEABMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1CCCC1 ZINC000005730636 181277853 /nfs/dbraw/zinc/27/78/53/181277853.db2.gz RVSRDNZLKOKNCE-WMZOPIPTSA-N 1 1 313.445 2.225 40 0 DEABMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1CCCC1 ZINC000005730636 181277854 /nfs/dbraw/zinc/27/78/54/181277854.db2.gz RVSRDNZLKOKNCE-WMZOPIPTSA-N 1 1 313.445 2.225 40 0 DEABMO CC[C@@H](C)N1C[C@@]2(CCC[N@H+](Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099300 357332655 /nfs/dbraw/zinc/33/26/55/357332655.db2.gz CCQMDKBCFPDWRX-WBMJQRKESA-N 1 1 322.840 2.353 40 0 DEABMO CC[C@@H](C)N1C[C@@]2(CCC[N@@H+](Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099300 357332656 /nfs/dbraw/zinc/33/26/56/357332656.db2.gz CCQMDKBCFPDWRX-WBMJQRKESA-N 1 1 322.840 2.353 40 0 DEABMO CCC(CC)C[N@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099433 357332721 /nfs/dbraw/zinc/33/27/21/357332721.db2.gz JANPQJYKCVZZII-QGZVFWFLSA-N 1 1 302.422 2.342 40 0 DEABMO COc1ccc(OC)c(C(=O)N2CCC[C@@]3(CC[N@H+]3C)C2)c1 ZINC000585101729 357332865 /nfs/dbraw/zinc/33/28/65/357332865.db2.gz BTNOAGOZOBXHLJ-QGZVFWFLSA-N 1 1 304.390 2.014 40 0 DEABMO C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102064 357333034 /nfs/dbraw/zinc/33/30/34/357333034.db2.gz PSJQKQBOQHNPNS-CQSZACIVSA-N 1 1 313.323 2.411 40 0 DEABMO COC[C@H]1CN(Cc2csc(C)n2)CC12CC[NH+](C)CC2 ZINC000585103817 357333852 /nfs/dbraw/zinc/33/38/52/357333852.db2.gz RSLKQRQNWWOVJB-CQSZACIVSA-N 1 1 309.479 2.242 40 0 DEABMO CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccccc1)C2 ZINC000585104683 357334339 /nfs/dbraw/zinc/33/43/39/357334339.db2.gz QXFFOKDAXCMJAO-LJQANCHMSA-N 1 1 316.445 2.394 40 0 DEABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)c1csc(C)n1)CC2 ZINC000585103533 357334442 /nfs/dbraw/zinc/33/44/42/357334442.db2.gz JCABMFBMTKPCHW-CYBMUJFWSA-N 1 1 323.462 2.024 40 0 DEABMO CO[C@@]1(COc2ccc(C)cc2)CC[N@H+](Cc2c[nH]cn2)C1 ZINC000585274854 357342675 /nfs/dbraw/zinc/34/26/75/357342675.db2.gz PNHCBVWWCTWZMQ-KRWDZBQOSA-N 1 1 301.390 2.388 40 0 DEABMO CO[C@@]1(COc2ccc(C)cc2)CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000585274854 357342676 /nfs/dbraw/zinc/34/26/76/357342676.db2.gz PNHCBVWWCTWZMQ-KRWDZBQOSA-N 1 1 301.390 2.388 40 0 DEABMO Cc1noc(C)c1CC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257275851 203004712 /nfs/dbraw/zinc/00/47/12/203004712.db2.gz NRFCXHXUDGAGDZ-QGZVFWFLSA-N 1 1 313.401 2.349 40 0 DEABMO Cc1noc(C)c1CC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257275851 203004715 /nfs/dbraw/zinc/00/47/15/203004715.db2.gz NRFCXHXUDGAGDZ-QGZVFWFLSA-N 1 1 313.401 2.349 40 0 DEABMO c1ccc(OCC[N@@H+]2CCO[C@@H](CCc3ccncn3)C2)cc1 ZINC000257310095 203034307 /nfs/dbraw/zinc/03/43/07/203034307.db2.gz UDQVCGCFKUQGSR-SFHVURJKSA-N 1 1 313.401 2.189 40 0 DEABMO c1ccc(OCC[N@H+]2CCO[C@@H](CCc3ccncn3)C2)cc1 ZINC000257310095 203034312 /nfs/dbraw/zinc/03/43/12/203034312.db2.gz UDQVCGCFKUQGSR-SFHVURJKSA-N 1 1 313.401 2.189 40 0 DEABMO C[C@]1(O)C[N@@H+](CC2CCOCC2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257315127 203039227 /nfs/dbraw/zinc/03/92/27/203039227.db2.gz UZZWOUHWHLMTTG-ROUUACIJSA-N 1 1 323.408 2.456 40 0 DEABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257322427 203046849 /nfs/dbraw/zinc/04/68/49/203046849.db2.gz WFXXKPGNVJNOLU-OAHLLOKOSA-N 1 1 313.401 2.489 40 0 DEABMO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](CC2=COCCO2)C1 ZINC000019376623 182120668 /nfs/dbraw/zinc/12/06/68/182120668.db2.gz VUIJCQLOGBGUJN-ZDUSSCGKSA-N 1 1 316.357 2.120 40 0 DEABMO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](CC2=COCCO2)C1 ZINC000019376623 182120670 /nfs/dbraw/zinc/12/06/70/182120670.db2.gz VUIJCQLOGBGUJN-ZDUSSCGKSA-N 1 1 316.357 2.120 40 0 DEABMO CC(C)CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019446423 182123505 /nfs/dbraw/zinc/12/35/05/182123505.db2.gz HOXWJZLEVNDNBZ-OAHLLOKOSA-N 1 1 302.422 2.174 40 0 DEABMO CC(C)[C@@H](C[N@H+]1CC[C@H](O)C1)NC(=O)OCc1ccccc1 ZINC000044138441 183396754 /nfs/dbraw/zinc/39/67/54/183396754.db2.gz QOZXKKJNTPWTSH-JKSUJKDBSA-N 1 1 306.406 2.004 40 0 DEABMO CN1CC[NH+](CCc2ccc3c(Cl)ccc(O)c3n2)CC1 ZINC000059474705 184138918 /nfs/dbraw/zinc/13/89/18/184138918.db2.gz JMDUENHUBUTXQN-UHFFFAOYSA-N 1 1 305.809 2.384 40 0 DEABMO Cc1cc(N2CCOCC2)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223546 257123550 /nfs/dbraw/zinc/12/35/50/257123550.db2.gz KOLFSOVEJUKZGH-UHFFFAOYSA-N 1 1 307.394 2.251 40 0 DEABMO CC(=O)N1CCCC[C@H]1c1c[nH+]c(N2CCOCC2)cc1C ZINC000072219434 257124521 /nfs/dbraw/zinc/12/45/21/257124521.db2.gz CGHKZXHMKMKTCU-INIZCTEOSA-N 1 1 303.406 2.300 40 0 DEABMO C[C@H]1CCc2c(nc3ncnn3c2NCC[C@@H]2CCC[N@H+]2C)C1 ZINC000004516986 401726739 /nfs/dbraw/zinc/72/67/39/401726739.db2.gz GQPWCKVLROAUMJ-STQMWFEESA-N 1 1 314.437 2.145 40 0 DEABMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000072351369 401709573 /nfs/dbraw/zinc/70/95/73/401709573.db2.gz TZSXHFAPSLHDPO-INIZCTEOSA-N 1 1 312.417 2.491 40 0 DEABMO CN(C)C(=O)c1cn[nH]c1[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000072351369 401709574 /nfs/dbraw/zinc/70/95/74/401709574.db2.gz TZSXHFAPSLHDPO-INIZCTEOSA-N 1 1 312.417 2.491 40 0 DEABMO CN(C)C(=O)c1cn[nH]c1[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000072351369 401709576 /nfs/dbraw/zinc/70/95/76/401709576.db2.gz TZSXHFAPSLHDPO-INIZCTEOSA-N 1 1 312.417 2.491 40 0 DEABMO Cn1cc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cn1 ZINC000012183949 401781185 /nfs/dbraw/zinc/78/11/85/401781185.db2.gz RLIMFTVOGYZIJC-AWEZNQCLSA-N 1 1 312.373 2.165 40 0 DEABMO Cn1cc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cn1 ZINC000012183949 401781188 /nfs/dbraw/zinc/78/11/88/401781188.db2.gz RLIMFTVOGYZIJC-AWEZNQCLSA-N 1 1 312.373 2.165 40 0 DEABMO CO[C@H]1CCN(Cc2scnc2C)[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096109450 402059562 /nfs/dbraw/zinc/05/95/62/402059562.db2.gz HIAOEGZBRJLFCP-XHSDSOJGSA-N 1 1 321.490 2.383 40 0 DEABMO c1csc(C[N@@H+]2C[C@@H](N3CCOCC3)[C@H]3OCCC[C@H]3C2)c1 ZINC000096040614 402048864 /nfs/dbraw/zinc/04/88/64/402048864.db2.gz HEAYLEBDHUKPHZ-UAGQMJEPSA-N 1 1 322.474 2.060 40 0 DEABMO O=C([C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]2O1)N1CCCC1 ZINC000096043184 402049520 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357333932 /nfs/dbraw/zinc/33/39/32/357333932.db2.gz XTXCMCOKJVQYED-QGZVFWFLSA-N 1 1 306.381 2.289 40 0 DEABMO CNC(=O)c1sc2nccnc2c1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000585182358 357340017 /nfs/dbraw/zinc/34/00/17/357340017.db2.gz DWDFGXWYMKEWCT-NSHDSACASA-N 1 1 316.430 2.250 40 0 DEABMO Cc1ccc(OC[C@]2(O)CC[N@@H+](CC3CCOCC3)C2)cc1 ZINC000585269421 357340549 /nfs/dbraw/zinc/34/05/49/357340549.db2.gz STLQLOVJJOURCO-SFHVURJKSA-N 1 1 305.418 2.237 40 0 DEABMO O[C@@]1(COc2cccc(F)c2)COCC[N@H+](C2CCCC2)C1 ZINC000585269329 357341103 /nfs/dbraw/zinc/34/11/03/357341103.db2.gz PHJMBSQVGSMRCG-QGZVFWFLSA-N 1 1 309.381 2.210 40 0 DEABMO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585275484 357342407 /nfs/dbraw/zinc/34/24/07/357342407.db2.gz CQKQVESLXCOAHP-SFHVURJKSA-N 1 1 315.417 2.351 40 0 DEABMO Cn1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)n1 ZINC000585274868 357342624 /nfs/dbraw/zinc/34/26/24/357342624.db2.gz PYCJYQBJKFKTPD-IRXDYDNUSA-N 1 1 303.381 2.127 40 0 DEABMO Cn1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)n1 ZINC000585274868 357342626 /nfs/dbraw/zinc/34/26/26/357342626.db2.gz PYCJYQBJKFKTPD-IRXDYDNUSA-N 1 1 303.381 2.127 40 0 DEABMO O[C@H]1CC[N@H+](Cc2cnccn2)C[C@H]1Cc1ccccc1F ZINC000585275119 357342699 /nfs/dbraw/zinc/34/26/99/357342699.db2.gz XJKIFGHCGJCWPZ-PBHICJAKSA-N 1 1 301.365 2.041 40 0 DEABMO O[C@H]1CC[N@@H+](Cc2cnccn2)C[C@H]1Cc1ccccc1F ZINC000585275119 357342701 /nfs/dbraw/zinc/34/27/01/357342701.db2.gz XJKIFGHCGJCWPZ-PBHICJAKSA-N 1 1 301.365 2.041 40 0 DEABMO Cc1n[nH]cc1C[N@H+]1CC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585274845 357342764 /nfs/dbraw/zinc/34/27/64/357342764.db2.gz PJIGRCWTAHKSQE-KRWDZBQOSA-N 1 1 301.390 2.042 40 0 DEABMO CN(C)CCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585286460 357344794 /nfs/dbraw/zinc/34/47/94/357344794.db2.gz YKYGDLWDCGGRAF-GVDBMIGSSA-N 1 1 310.413 2.028 40 0 DEABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2)[C@@H]1O ZINC000585292084 357345888 /nfs/dbraw/zinc/34/58/88/357345888.db2.gz WTXFRLBORXQFKO-KURKYZTESA-N 1 1 301.386 2.046 40 0 DEABMO Cc1noc(C)c1CC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257275850 203003800 /nfs/dbraw/zinc/00/38/00/203003800.db2.gz NRFCXHXUDGAGDZ-KRWDZBQOSA-N 1 1 313.401 2.349 40 0 DEABMO Cc1noc(C)c1CC(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257275850 203003804 /nfs/dbraw/zinc/00/38/04/203003804.db2.gz NRFCXHXUDGAGDZ-KRWDZBQOSA-N 1 1 313.401 2.349 40 0 DEABMO OCC[N@H+](Cc1ccccc1)Cc1ccnc([C@@H]2CCCO2)n1 ZINC000257297922 203023351 /nfs/dbraw/zinc/02/33/51/203023351.db2.gz RJIPYTKLSVWHBY-KRWDZBQOSA-N 1 1 313.401 2.323 40 0 DEABMO OCC[N@@H+](Cc1ccccc1)Cc1ccnc([C@@H]2CCCO2)n1 ZINC000257297922 203023354 /nfs/dbraw/zinc/02/33/54/203023354.db2.gz RJIPYTKLSVWHBY-KRWDZBQOSA-N 1 1 313.401 2.323 40 0 DEABMO Cc1nc(CO[C@@H]2C[N@H+](Cc3ccco3)[C@@H]3COC[C@H]23)cs1 ZINC000096055874 193506347 /nfs/dbraw/zinc/50/63/47/193506347.db2.gz PEEBSHHDSMRIBO-ARFHVFGLSA-N 1 1 320.414 2.461 40 0 DEABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3ccco3)[C@@H]3COC[C@H]23)cs1 ZINC000096055874 193506349 /nfs/dbraw/zinc/50/63/49/193506349.db2.gz PEEBSHHDSMRIBO-ARFHVFGLSA-N 1 1 320.414 2.461 40 0 DEABMO CCn1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCSC)cn1 ZINC000019524996 182128667 /nfs/dbraw/zinc/12/86/67/182128667.db2.gz GZRFNHZMKJFCEE-HOTGVXAUSA-N 1 1 308.495 2.305 40 0 DEABMO C[N@H+]1CCC[C@H](c2ncc3c(n2)CCN(Cc2ccncc2)C3)C1 ZINC000019588696 182132313 /nfs/dbraw/zinc/13/23/13/182132313.db2.gz QAWKRTQTDNDLOD-INIZCTEOSA-N 1 1 323.444 2.239 40 0 DEABMO CCN1CC[NH+](C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000022030731 182305653 /nfs/dbraw/zinc/30/56/53/182305653.db2.gz CFOGQCULUUWTQB-INIZCTEOSA-N 1 1 306.450 2.187 40 0 DEABMO CCN1CC[NH+](C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000022863644 182337959 /nfs/dbraw/zinc/33/79/59/182337959.db2.gz YFJXJPMQFHEZTK-ULQDDVLXSA-N 1 1 312.498 2.216 40 0 DEABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000038832729 183011673 /nfs/dbraw/zinc/01/16/73/183011673.db2.gz GHHQPNYGOUICDQ-HNNXBMFYSA-N 1 1 322.836 2.411 40 0 DEABMO Cc1cc2occ(CC(=O)NN3CC[NH+](C)CC3)c2cc1Cl ZINC000039892739 183022619 /nfs/dbraw/zinc/02/26/19/183022619.db2.gz PMOQWLPGIPHAPY-UHFFFAOYSA-N 1 1 321.808 2.216 40 0 DEABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000072227969 257122712 /nfs/dbraw/zinc/12/27/12/257122712.db2.gz NMGLGAHYUFVYGD-CABCVRRESA-N 1 1 316.744 2.484 40 0 DEABMO O=C(CCSCc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000013688177 401803114 /nfs/dbraw/zinc/80/31/14/401803114.db2.gz KHCDOJCBUHEYFX-UHFFFAOYSA-N 1 1 322.474 2.148 40 0 DEABMO Cc1ccc(NC(=O)C[C@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)c(C)c1 ZINC000009225492 401760450 /nfs/dbraw/zinc/76/04/50/401760450.db2.gz FNQYIYNJXCSCBW-HRCADAONSA-N 1 1 315.417 2.031 40 0 DEABMO COC(=O)[C@H]([NH3+])CSc1cc(C)nc2ccc(OC)cc21 ZINC000012597339 401788820 /nfs/dbraw/zinc/78/88/20/401788820.db2.gz XKKUAMGHHAVSOG-GFCCVEGCSA-N 1 1 306.387 2.144 40 0 DEABMO c1c2cccnc2n(CC[NH+]2CCOCC2)c1[C@H]1CCCO1 ZINC000019347193 401822171 /nfs/dbraw/zinc/82/21/71/401822171.db2.gz BZTKPHZDUILPMN-MRXNPFEDSA-N 1 1 301.390 2.220 40 0 DEABMO O=C(NCc1cccs1)[C@@]12CCO[C@@H]1CC[N@@H+](CC1CC1)C2 ZINC000096038798 402048175 /nfs/dbraw/zinc/04/81/75/402048175.db2.gz PMTXBFCGBZYQTG-NVXWUHKLSA-N 1 1 320.458 2.255 40 0 DEABMO c1ccc(O[C@@H]2C[N@H+](CC3CCOCC3)[C@@H]3CCCO[C@H]23)nc1 ZINC000096042607 402049919 /nfs/dbraw/zinc/04/99/19/402049919.db2.gz RACTXDBLIGAEKP-NUJGCVRESA-N 1 1 318.417 2.119 40 0 DEABMO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)nn1 ZINC000096048476 402050774 /nfs/dbraw/zinc/05/07/74/402050774.db2.gz OHVILCRBBWGLLA-WBVHZDCISA-N 1 1 302.422 2.230 40 0 DEABMO CN(C)C(=O)[C@@H]1C[C@]2(CO1)CCC[N@@H+](Cc1cccs1)C2 ZINC000096048880 402050872 /nfs/dbraw/zinc/05/08/72/402050872.db2.gz OZCJGGOLIJLVBT-GOEBONIOSA-N 1 1 308.447 2.207 40 0 DEABMO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096053922 402051519 /nfs/dbraw/zinc/05/15/19/402051519.db2.gz IJLOLRJWONVDFE-TXEJJXNPSA-N 1 1 319.455 2.409 40 0 DEABMO Cn1cc(N2CC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2=O)cn1 ZINC000096050509 402051841 /nfs/dbraw/zinc/05/18/41/402051841.db2.gz AMXFRGZCEVQULC-INIZCTEOSA-N 1 1 316.430 2.111 40 0 DEABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccnc2)N1Cc1ccncc1 ZINC000096056602 402052697 /nfs/dbraw/zinc/05/26/97/402052697.db2.gz VNLSORDMNFQXMK-QZTJIDSGSA-N 1 1 322.412 2.242 40 0 DEABMO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccoc2)n1 ZINC000096055760 402052908 /nfs/dbraw/zinc/05/29/08/402052908.db2.gz CPKIDVARYAFFSX-DLBZAZTESA-N 1 1 311.385 2.358 40 0 DEABMO CCOC[C@H]1C[N@@H+](CC2CCOCC2)Cc2cn(CC)nc21 ZINC000096059925 402054323 /nfs/dbraw/zinc/05/43/23/402054323.db2.gz XQFQVBBLXBHYPM-MRXNPFEDSA-N 1 1 307.438 2.265 40 0 DEABMO c1ccc(N2CC[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096062477 402055731 /nfs/dbraw/zinc/05/57/31/402055731.db2.gz FLTOHDFFDHNZOV-LJQANCHMSA-N 1 1 324.428 2.206 40 0 DEABMO c1ccc(N2CC[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096062477 402055732 /nfs/dbraw/zinc/05/57/32/402055732.db2.gz FLTOHDFFDHNZOV-LJQANCHMSA-N 1 1 324.428 2.206 40 0 DEABMO c1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096219343 402071079 /nfs/dbraw/zinc/07/10/79/402071079.db2.gz RDRFNLKMUOMENY-WMZOPIPTSA-N 1 1 310.401 2.322 40 0 DEABMO c1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 ZINC000096219416 402071342 /nfs/dbraw/zinc/07/13/42/402071342.db2.gz BLLLVAZJEIVAGU-WMZOPIPTSA-N 1 1 310.401 2.322 40 0 DEABMO Fc1cnc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)nc1 ZINC000096219593 402071528 /nfs/dbraw/zinc/07/15/28/402071528.db2.gz YAIUFCVOWDLUER-XJKSGUPXSA-N 1 1 318.352 2.054 40 0 DEABMO Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]3Cc3cnn(C)c3)C2)cc1 ZINC000096228697 402072857 /nfs/dbraw/zinc/07/28/57/402072857.db2.gz GGFKZWKTKWGXDN-LJQANCHMSA-N 1 1 324.428 2.219 40 0 DEABMO Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+]3Cc3cnn(C)c3)C2)cc1 ZINC000096228697 402072858 /nfs/dbraw/zinc/07/28/58/402072858.db2.gz GGFKZWKTKWGXDN-LJQANCHMSA-N 1 1 324.428 2.219 40 0 DEABMO Cc1cccc(CN2C[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2=O)c1 ZINC000096245282 402073822 /nfs/dbraw/zinc/07/38/22/402073822.db2.gz PWFIHTCYOQPYEE-WMZOPIPTSA-N 1 1 314.429 2.064 40 0 DEABMO O=C1[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CCN1c1cncnc1 ZINC000096249134 402073997 /nfs/dbraw/zinc/07/39/97/402073997.db2.gz BCGUPGZQNHEYLQ-WFASDCNBSA-N 1 1 314.414 2.023 40 0 DEABMO Cn1cccc1C[N@H+]1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096159406 402063350 /nfs/dbraw/zinc/06/33/50/402063350.db2.gz QOPIJJYZFGSIOC-IBGZPJMESA-N 1 1 324.428 2.045 40 0 DEABMO c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ncccn4)C3)C2)nc1 ZINC000096158049 402063420 /nfs/dbraw/zinc/06/34/20/402063420.db2.gz ZPCGWEJPGXWRSL-GOSISDBHSA-N 1 1 309.417 2.364 40 0 DEABMO c1ccc(C[N@H+]2CCOC3(CCN(c4ncccn4)CC3)C2)cc1 ZINC000096158814 402063539 /nfs/dbraw/zinc/06/35/39/402063539.db2.gz OBVURVUNRMHWJQ-UHFFFAOYSA-N 1 1 324.428 2.348 40 0 DEABMO c1ccc(C[N@H+]2CCC3(C2)CCN(c2ncccn2)CC3)nc1 ZINC000096157681 402063568 /nfs/dbraw/zinc/06/35/68/402063568.db2.gz KMOFLFWBOMIPOY-UHFFFAOYSA-N 1 1 309.417 2.364 40 0 DEABMO Fc1cccc(CN2C[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096161710 402064113 /nfs/dbraw/zinc/06/41/13/402064113.db2.gz OHBAZHFPOZUHPA-IYBDPMFKSA-N 1 1 304.409 2.368 40 0 DEABMO CCc1cnc(N2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)nc1 ZINC000096161580 402064291 /nfs/dbraw/zinc/06/42/91/402064291.db2.gz OMAUWLVDWMRKQI-IYBDPMFKSA-N 1 1 309.417 2.002 40 0 DEABMO Cn1cccc1C[NH2+]C1(Cc2cc(-c3ccccn3)on2)COC1 ZINC000067898271 402177853 /nfs/dbraw/zinc/17/78/53/402177853.db2.gz UCKYWQQFWIAKEF-UHFFFAOYSA-N 1 1 324.384 2.176 40 0 biogenic,in-vitro DEABMO Cc1ccc(C[N@@H+]2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)s1 ZINC000257291491 402711538 /nfs/dbraw/zinc/71/15/38/402711538.db2.gz QHDYLLWQXAUZKH-AWEZNQCLSA-N 1 1 305.403 2.434 40 0 DEABMO Cc1ccc(C[N@H+]2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)s1 ZINC000257291491 402711540 /nfs/dbraw/zinc/71/15/40/402711540.db2.gz QHDYLLWQXAUZKH-AWEZNQCLSA-N 1 1 305.403 2.434 40 0 DEABMO CCn1nc(C)c(C[NH2+]Cc2ccnn2CC(F)(F)F)c1F ZINC000256051053 402699844 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/nfs/dbraw/zinc/22/97/00/281229700.db2.gz PBPHJZXWJFLJOW-DLBZAZTESA-N 1 1 301.434 2.470 40 0 DEABMO c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC000096157407 722011870 /nfs/dbraw/zinc/01/18/70/722011870.db2.gz PIOGPKLGNAXDMT-UHFFFAOYSA-N 1 1 309.417 2.364 40 0 DEABMO Cc1[nH+]ccn1C[C@@H]1CC[C@@H]2[C@H](c3cccc(O)c3N2C)C1=O ZINC000039960651 1078254265 /nfs/dbraw/zinc/25/42/65/1078254265.db2.gz HTFQMVKUVPTRGT-BJJXKVORSA-N 1 1 311.385 2.478 40 0 DEABMO O=C(OCc1ccccc1)N1CC[C@H](C[N@H+](CCO)C2CC2)C1 ZINC000079391739 185168373 /nfs/dbraw/zinc/16/83/73/185168373.db2.gz IZQTWAMKAINWEL-MRXNPFEDSA-N 1 1 318.417 2.102 40 0 DEABMO CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079394284 185168802 /nfs/dbraw/zinc/16/88/02/185168802.db2.gz NMPUBZIIOZLDBX-SJORKVTESA-N 1 1 303.450 2.093 40 0 DEABMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253401152 186307127 /nfs/dbraw/zinc/30/71/27/186307127.db2.gz MNQMQMWLTIOVDD-OAHLLOKOSA-N 1 1 320.412 2.068 40 0 biogenic,in-vitro 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Cc1cc(CN2CCO[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)no1 ZINC000257271468 402711167 /nfs/dbraw/zinc/71/11/67/402711167.db2.gz MYLQCMHHQDIATQ-QGZVFWFLSA-N 1 1 316.405 2.326 40 0 DEABMO Cc1nccc([C@@H]2CCC[N@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257331325 402712066 /nfs/dbraw/zinc/71/20/66/402712066.db2.gz XSJQOEZJAWYBNL-OAHLLOKOSA-N 1 1 312.421 2.021 40 0 DEABMO CCCn1nccc1C[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256053693 402700204 /nfs/dbraw/zinc/70/02/04/402700204.db2.gz SLQVQRRHVIEHFJ-UHFFFAOYSA-N 1 1 301.316 2.335 40 0 DEABMO CC(C)n1cnc([C@H]2C[N@@H+](C)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306142147 403950998 /nfs/dbraw/zinc/95/09/98/403950998.db2.gz WRFXBDXVSCABTR-QAPCUYQASA-N 1 1 316.449 2.122 40 0 DEABMO O=C(Nc1cccnc1)[C@@H]1COC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC000097953315 332203470 /nfs/dbraw/zinc/20/34/70/332203470.db2.gz CJLOEOJBIOBKSB-KBRIMQKVSA-N 1 1 315.417 2.157 40 0 DEABMO Cc1cccc(CN2CC[C@@H]3[C@H]2CC[N@H+]3CC2CCOCC2)n1 ZINC000306126609 534710702 /nfs/dbraw/zinc/71/07/02/534710702.db2.gz 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191136856 /nfs/dbraw/zinc/13/68/56/191136856.db2.gz JSAHFTGCDBWQKT-KRWDZBQOSA-N 1 1 313.376 2.434 40 0 DEABMO NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072367505 191136858 /nfs/dbraw/zinc/13/68/58/191136858.db2.gz JSAHFTGCDBWQKT-KRWDZBQOSA-N 1 1 313.376 2.434 40 0 DEABMO CCN(CC)c1ncc(C[N@H+]2CCC[C@@](C)(C(=O)NC)C2)s1 ZINC000072346333 354900658 /nfs/dbraw/zinc/90/06/58/354900658.db2.gz WUIVUMIELNBDEZ-MRXNPFEDSA-N 1 1 324.494 2.337 40 0 DEABMO CCC[C@H](C)[N@H+]1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099607 357332930 /nfs/dbraw/zinc/33/29/30/357332930.db2.gz SGKQGSAUJFFMBK-KSSFIOAISA-N 1 1 317.433 2.003 40 0 DEABMO Cc1ccccc1OC[C@@]1(O)CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000585273234 357341030 /nfs/dbraw/zinc/34/10/30/357341030.db2.gz BFQCDPZDLRZVRN-QGZVFWFLSA-N 1 1 301.390 2.124 40 0 DEABMO Cc1ccccc1OC[C@@]1(O)CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000585273234 357341031 /nfs/dbraw/zinc/34/10/31/357341031.db2.gz BFQCDPZDLRZVRN-QGZVFWFLSA-N 1 1 301.390 2.124 40 0 DEABMO CO[C@]1(COc2ccc(F)cc2)CC[N@H+](Cc2cnccn2)C1 ZINC000585274258 357341205 /nfs/dbraw/zinc/34/12/05/357341205.db2.gz HVGVFYSZFMCZTL-QGZVFWFLSA-N 1 1 317.364 2.286 40 0 DEABMO CO[C@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2cnccn2)C1 ZINC000585274258 357341208 /nfs/dbraw/zinc/34/12/08/357341208.db2.gz HVGVFYSZFMCZTL-QGZVFWFLSA-N 1 1 317.364 2.286 40 0 DEABMO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000585292143 357345916 /nfs/dbraw/zinc/34/59/16/357345916.db2.gz FFYRIHYETHMBHK-MISYRCLQSA-N 1 1 322.408 2.489 40 0 DEABMO O=C(CCC[NH+]1CCCC1)N1CCNC[C@@H]1c1ccccc1 ZINC000257305220 283775444 /nfs/dbraw/zinc/77/54/44/283775444.db2.gz SOYHOENBYCFJJN-QGZVFWFLSA-N 1 1 301.434 2.036 40 0 DEABMO CCN1C(=O)CC[C@@H]2[N@@H+](Cc3cnn(C)c3)CCCC[C@@]21C ZINC000257294517 203019403 /nfs/dbraw/zinc/01/94/03/203019403.db2.gz QUNNNDYLOMGSDI-RDJZCZTQSA-N 1 1 304.438 2.176 40 0 DEABMO CC(=O)NCc1cncc([C@@H]2CCCN2c2cccc(C)[nH+]2)n1 ZINC000257332784 203055117 /nfs/dbraw/zinc/05/51/17/203055117.db2.gz XYPSKXYTSHAKHF-INIZCTEOSA-N 1 1 311.389 2.158 40 0 DEABMO COc1cccc(NC(=O)C2CN(c3cc(C)[nH+]c(C)n3)C2)c1 ZINC000019747707 182142700 /nfs/dbraw/zinc/14/27/00/182142700.db2.gz VJDCRBUVEVXGBA-UHFFFAOYSA-N 1 1 312.373 2.177 40 0 DEABMO OCCNCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000023468464 182361257 /nfs/dbraw/zinc/36/12/57/182361257.db2.gz KBSQMJYCBMAGQG-UHFFFAOYSA-N 1 1 318.392 2.076 40 0 DEABMO O=C1CO[C@H]2C[N@H+](C3CCCCC3)C[C@H]2N1c1ccccc1 ZINC000067897049 296341176 /nfs/dbraw/zinc/34/11/76/296341176.db2.gz HGZPWDUCVRVULG-SJORKVTESA-N 1 1 300.402 2.435 40 0 biogenic,in-vitro DEABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)cc2)cc1OC ZINC000072227453 257122600 /nfs/dbraw/zinc/12/26/00/257122600.db2.gz JRFZBBWKWWBKPV-SJORKVTESA-N 1 1 312.369 2.427 40 0 DEABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc3c(c2)OCO3)cc1C ZINC000072227857 257122874 /nfs/dbraw/zinc/12/28/74/257122874.db2.gz FGLBDKGZUMLVGD-SJORKVTESA-N 1 1 310.353 2.447 40 0 DEABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@H]2c2ccc(C)o2)cc1OC ZINC000072227070 257123372 /nfs/dbraw/zinc/12/33/72/257123372.db2.gz HTYDLQHASXTDHG-HZPDHXFCSA-N 1 1 316.357 2.016 40 0 DEABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)cc(N)n2n1 ZINC000019129361 401821682 /nfs/dbraw/zinc/82/16/82/401821682.db2.gz YTULZVIRZWXXJO-OAHLLOKOSA-N 1 1 322.416 2.395 40 0 DEABMO COc1ccc(OC)c(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000027932340 401848822 /nfs/dbraw/zinc/84/88/22/401848822.db2.gz QFIWEWCTDNJTFH-LBPRGKRZSA-N 1 1 305.378 2.016 40 0 DEABMO c1ccc(C[N@H+]2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)nc1 ZINC000096107826 402059531 /nfs/dbraw/zinc/05/95/31/402059531.db2.gz BOMNMWWQIUJSQY-AEFFLSMTSA-N 1 1 311.385 2.289 40 0 DEABMO Cn1cc(C[NH+]2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096110650 402060548 /nfs/dbraw/zinc/06/05/48/402060548.db2.gz VKKQHANJDGATJF-IRXDYDNUSA-N 1 1 314.408 2.123 40 0 DEABMO CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000096043413 402049366 /nfs/dbraw/zinc/04/93/66/402049366.db2.gz LFOHHCKXTZMQFE-BRWVUGGUSA-N 1 1 302.418 2.002 40 0 DEABMO COCCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccoc1)CC2 ZINC000096047515 402050481 /nfs/dbraw/zinc/05/04/81/402050481.db2.gz BDCKEEBAIICEMO-KRWDZBQOSA-N 1 1 306.406 2.273 40 0 DEABMO CC(C)[N@H+]1CCOC[C@]2(CN(Cc3ccc(F)cc3)CCO2)C1 ZINC000096049729 402050800 /nfs/dbraw/zinc/05/08/00/402050800.db2.gz GRZLBLUZBKNOER-SFHVURJKSA-N 1 1 322.424 2.137 40 0 DEABMO c1cc(C[N@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)co1 ZINC000096048335 402051197 /nfs/dbraw/zinc/05/11/97/402051197.db2.gz DBQXZXVFMHHACF-RDJZCZTQSA-N 1 1 314.389 2.305 40 0 DEABMO c1cc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096047714 402051279 /nfs/dbraw/zinc/05/12/79/402051279.db2.gz PABDGCHCXFCCED-ZBFHGGJFSA-N 1 1 316.430 2.384 40 0 DEABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccco2)CC12CCOCC2 ZINC000096052087 402051962 /nfs/dbraw/zinc/05/19/62/402051962.db2.gz XDSCZTZCHGMHAP-HNNXBMFYSA-N 1 1 306.406 2.033 40 0 DEABMO CCOc1ncnc2c1CC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000096058760 402054044 /nfs/dbraw/zinc/05/40/44/402054044.db2.gz GNKOEPHNQHXQBL-UHFFFAOYSA-N 1 1 313.401 2.485 40 0 DEABMO Cc1ccc(C[N@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)o1 ZINC000096058638 402054061 /nfs/dbraw/zinc/05/40/61/402054061.db2.gz DFIBGSSMTMMWMC-AWEZNQCLSA-N 1 1 313.401 2.483 40 0 DEABMO Fc1ccc(C[N@H+]2CC[C@@]23CCN(Cc2cc[nH]n2)C3)cc1 ZINC000096076077 402056822 /nfs/dbraw/zinc/05/68/22/402056822.db2.gz PIBIDVUHKJECPM-QGZVFWFLSA-N 1 1 300.381 2.399 40 0 DEABMO c1coc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c1 ZINC000096209291 402070346 /nfs/dbraw/zinc/07/03/46/402070346.db2.gz VSNRMLICGNWSBB-PBHICJAKSA-N 1 1 300.358 2.202 40 0 DEABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000096218509 402070993 /nfs/dbraw/zinc/07/09/93/402070993.db2.gz OTXUGHFFAHLNTM-CXAGYDPISA-N 1 1 324.371 2.005 40 0 DEABMO Cn1ccnc1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 ZINC000096238421 402073071 /nfs/dbraw/zinc/07/30/71/402073071.db2.gz PBPFLLIKKPLMSF-SFHVURJKSA-N 1 1 310.401 2.049 40 0 DEABMO Cn1ccnc1C[N@H+]1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 ZINC000096238421 402073073 /nfs/dbraw/zinc/07/30/73/402073073.db2.gz PBPFLLIKKPLMSF-SFHVURJKSA-N 1 1 310.401 2.049 40 0 DEABMO Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)o1 ZINC000096245496 402074131 /nfs/dbraw/zinc/07/41/31/402074131.db2.gz XCABEXJAPJJINF-BETUJISGSA-N 1 1 317.414 2.249 40 0 DEABMO c1nc(NCC2CC2)nc2c1COC[C@]21CC[N@@H+](CC2CC2)C1 ZINC000096244110 402074257 /nfs/dbraw/zinc/07/42/57/402074257.db2.gz ZXCJMFALJJLKSC-GOSISDBHSA-N 1 1 314.433 2.182 40 0 DEABMO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccc3c(c2)OCO3)N1CC1CC1 ZINC000096183915 402065110 /nfs/dbraw/zinc/06/51/10/402065110.db2.gz BLVSXCMKVORHCY-CABCVRRESA-N 1 1 314.385 2.001 40 0 DEABMO COc1ccc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3O)cc1OC ZINC000100762155 402142573 /nfs/dbraw/zinc/14/25/73/402142573.db2.gz QKXIPWXFQDIWOM-ITGUQSILSA-N 1 1 307.346 2.245 40 0 biogenic,in-vitro DEABMO COc1ccc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3O)cc1OC ZINC000100762155 402142576 /nfs/dbraw/zinc/14/25/76/402142576.db2.gz QKXIPWXFQDIWOM-ITGUQSILSA-N 1 1 307.346 2.245 40 0 biogenic,in-vitro DEABMO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3csc(C)n3)C2)C1 ZINC000248158921 402584290 /nfs/dbraw/zinc/58/42/90/402584290.db2.gz WOQQVPALGLKJAK-ZDUSSCGKSA-N 1 1 323.462 2.024 40 0 DEABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)c3csc(C)n3)C2)C1 ZINC000248158921 402584292 /nfs/dbraw/zinc/58/42/92/402584292.db2.gz WOQQVPALGLKJAK-ZDUSSCGKSA-N 1 1 323.462 2.024 40 0 DEABMO CN1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)CC1 ZINC000257214799 402703901 /nfs/dbraw/zinc/70/39/01/402703901.db2.gz CNLPTLPVVCPWCI-ROUUACIJSA-N 1 1 322.424 2.124 40 0 DEABMO C[NH+]1CCC(N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)CC1 ZINC000257214799 402703904 /nfs/dbraw/zinc/70/39/04/402703904.db2.gz CNLPTLPVVCPWCI-ROUUACIJSA-N 1 1 322.424 2.124 40 0 DEABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccncc2)nc1 ZINC000257250133 402708735 /nfs/dbraw/zinc/70/87/35/402708735.db2.gz JLDNDJDLCSJBKX-SFHVURJKSA-N 1 1 310.401 2.450 40 0 DEABMO C[N@H+](Cc1ncc[nH]1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O ZINC000257262946 402710141 /nfs/dbraw/zinc/71/01/41/402710141.db2.gz LNSZCPCNRXKVKO-VYDXJSESSA-N 1 1 319.380 2.342 40 0 DEABMO C[N@@H+](Cc1ncc[nH]1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O ZINC000257262946 402710143 /nfs/dbraw/zinc/71/01/43/402710143.db2.gz LNSZCPCNRXKVKO-VYDXJSESSA-N 1 1 319.380 2.342 40 0 DEABMO Cn1cc(C[N@H+]2CCOC[C@@H](Cc3cccc(F)c3)C2)cn1 ZINC000257209723 402702875 /nfs/dbraw/zinc/70/28/75/402702875.db2.gz BRQMMSSVFRDHHL-HNNXBMFYSA-N 1 1 303.381 2.250 40 0 DEABMO Cc1ccccc1CSCC(=O)NCCC[NH+]1CCOCC1 ZINC000408575582 227245548 /nfs/dbraw/zinc/24/55/48/227245548.db2.gz OAFLIVFFQDTEST-UHFFFAOYSA-N 1 1 322.474 2.067 40 0 DEABMO COc1ccc2c3c1O[C@H]1[C@@H](OC)CC=C4[C@@H](C2)[N@H+](C)CC[C@@]341 ZINC000034643615 295278609 /nfs/dbraw/zinc/27/86/09/295278609.db2.gz PIILEVDVSADGMN-UVDFWXMISA-N 1 1 313.397 2.299 40 0 biogenic,in-vitro DEABMO COC[C@H]1CC[N@@H+](C)C2(CN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000306145021 231091684 /nfs/dbraw/zinc/09/16/84/231091684.db2.gz 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Cc1cn[nH]c1C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000072388938 191148613 /nfs/dbraw/zinc/14/86/13/191148613.db2.gz RWCUMUSZBWDYIK-OAHLLOKOSA-N 1 1 318.465 2.471 40 0 DEABMO Cc1cn[nH]c1C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000072388938 191148616 /nfs/dbraw/zinc/14/86/16/191148616.db2.gz RWCUMUSZBWDYIK-OAHLLOKOSA-N 1 1 318.465 2.471 40 0 DEABMO CC(C)(C)C(=O)NC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000004909717 181171200 /nfs/dbraw/zinc/17/12/00/181171200.db2.gz XSEJTIKRBDTDTQ-UHFFFAOYSA-N 1 1 323.481 2.016 40 0 DEABMO Cc1nc(C[NH+]2C[C@H]3CN(C(=O)C4CC(F)C4)C[C@@H]3C2)cs1 ZINC000585107622 357333664 /nfs/dbraw/zinc/33/36/64/357333664.db2.gz ZLVHONYVWYDWAV-QPPOZKHWSA-N 1 1 323.437 2.090 40 0 DEABMO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CC(C)C)C[C@@H]21 ZINC000585109834 357335702 /nfs/dbraw/zinc/33/57/02/357335702.db2.gz ZCXRYYTZTABTHJ-XYJFISCASA-N 1 1 302.418 2.175 40 0 DEABMO CN(C)CCC[N@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585288689 357345110 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ZINC000096086751 402057999 /nfs/dbraw/zinc/05/79/99/402057999.db2.gz YMTJBZGCHRRGRB-UHFFFAOYSA-N 1 1 301.346 2.328 40 0 DEABMO CC(C)[N@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1cccn1C)O2 ZINC000096206652 402069360 /nfs/dbraw/zinc/06/93/60/402069360.db2.gz HHPZDBZWNJZEAU-MAUKXSAKSA-N 1 1 319.449 2.177 40 0 DEABMO O=C1CCCN1[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096207607 402069750 /nfs/dbraw/zinc/06/97/50/402069750.db2.gz KUZBSICAKHQLQZ-WMLDXEAASA-N 1 1 304.390 2.026 40 0 DEABMO CN(C)C(=O)N[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096206219 402069845 /nfs/dbraw/zinc/06/98/45/402069845.db2.gz OVGUNAWIRUMEOQ-FUHWJXTLSA-N 1 1 317.433 2.081 40 0 DEABMO C(c1nnc(C2CC2)o1)[C@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@@H]12 ZINC000096207727 402069895 /nfs/dbraw/zinc/06/98/95/402069895.db2.gz UVKJMDZZNYQBAG-BPLDGKMQSA-N 1 1 303.406 2.379 40 0 DEABMO c1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 ZINC000096219418 402071220 /nfs/dbraw/zinc/07/12/20/402071220.db2.gz BLLLVAZJEIVAGU-FUHWJXTLSA-N 1 1 310.401 2.322 40 0 DEABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)o1 ZINC000096218612 402071519 /nfs/dbraw/zinc/07/15/19/402071519.db2.gz QDNYSVDFVAWPEM-NWANDNLSSA-N 1 1 303.362 2.111 40 0 DEABMO Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4nccn4C)C3)CC2=O)c1 ZINC000096238571 402073374 /nfs/dbraw/zinc/07/33/74/402073374.db2.gz RYILRTXNXLVZMS-IBGZPJMESA-N 1 1 324.428 2.358 40 0 DEABMO Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4nccn4C)C3)CC2=O)c1 ZINC000096238571 402073375 /nfs/dbraw/zinc/07/33/75/402073375.db2.gz RYILRTXNXLVZMS-IBGZPJMESA-N 1 1 324.428 2.358 40 0 DEABMO CC(C)C[N@@H+]1C[C@H]2c3ccccc3N(S(C)(=O)=O)C[C@@H]2C1 ZINC000096251762 402074630 /nfs/dbraw/zinc/07/46/30/402074630.db2.gz CVYQJLOHKXPXSX-DZGCQCFKSA-N 1 1 308.447 2.138 40 0 DEABMO CC[NH+](CC)Cc1nc2c(o1)CN(C(=O)c1ccncc1F)C2 ZINC000096260263 402075516 /nfs/dbraw/zinc/07/55/16/402075516.db2.gz DDLTZRFHQYSJEZ-UHFFFAOYSA-N 1 1 318.352 2.207 40 0 DEABMO CNC(=O)c1cc2c(nc1NC(C)C)CC[N@@H+](CC1CC1)CC2 ZINC000096260422 402075700 /nfs/dbraw/zinc/07/57/00/402075700.db2.gz LLTAZFIYLKOUSM-UHFFFAOYSA-N 1 1 316.449 2.072 40 0 DEABMO Cc1noc(C)c1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161568 402064022 /nfs/dbraw/zinc/06/40/22/402064022.db2.gz CKMRADMOARYKNR-IYBDPMFKSA-N 1 1 312.417 2.250 40 0 DEABMO Cc1noc(C)c1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161568 402064025 /nfs/dbraw/zinc/06/40/25/402064025.db2.gz CKMRADMOARYKNR-IYBDPMFKSA-N 1 1 312.417 2.250 40 0 DEABMO Cc1noc(C)c1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161568 402064026 /nfs/dbraw/zinc/06/40/26/402064026.db2.gz CKMRADMOARYKNR-IYBDPMFKSA-N 1 1 312.417 2.250 40 0 DEABMO COCC[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC000107712322 402239224 /nfs/dbraw/zinc/23/92/24/402239224.db2.gz IDIYRJKYAQCZTE-ROUUACIJSA-N 1 1 320.433 2.116 40 0 DEABMO Fc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)cc1 ZINC000107786321 402240714 /nfs/dbraw/zinc/24/07/14/402240714.db2.gz WHDVPFXQBHJCDM-HZPDHXFCSA-N 1 1 302.353 2.023 40 0 DEABMO Fc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)cc1 ZINC000247504718 402570249 /nfs/dbraw/zinc/57/02/49/402570249.db2.gz GMZANJOEQUBBDF-DJIMGWMZSA-N 1 1 316.380 2.097 40 0 DEABMO Fc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)cc1 ZINC000247504718 402570250 /nfs/dbraw/zinc/57/02/50/402570250.db2.gz GMZANJOEQUBBDF-DJIMGWMZSA-N 1 1 316.380 2.097 40 0 DEABMO Cc1cc(N(C)C)cc([C@@H]2CN(Cc3cncs3)CCO2)[nH+]1 ZINC000257223794 402705050 /nfs/dbraw/zinc/70/50/50/402705050.db2.gz DYWYPDLGAUJEML-INIZCTEOSA-N 1 1 318.446 2.486 40 0 DEABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257230475 402706094 /nfs/dbraw/zinc/70/60/94/402706094.db2.gz GCNDZELBFBJBFV-HNNXBMFYSA-N 1 1 322.416 2.434 40 0 DEABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CC2CCCCC2)[C@H]1O ZINC000257250475 402708911 /nfs/dbraw/zinc/70/89/11/402708911.db2.gz JMQORUXVJNKSEZ-BFYDXBDKSA-N 1 1 305.422 2.343 40 0 DEABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000257204920 402702728 /nfs/dbraw/zinc/70/27/28/402702728.db2.gz AWWHZGYIDLUQMZ-CQSZACIVSA-N 1 1 312.421 2.098 40 0 DEABMO CNc1cnc(C[C@H]2CCC[N@@H+](Cc3cnn(C)c3)CC2)cn1 ZINC000257205731 402702849 /nfs/dbraw/zinc/70/28/49/402702849.db2.gz BAJGJDFVRJIIID-AWEZNQCLSA-N 1 1 314.437 2.097 40 0 DEABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](Cc3cc[nH]n3)CC[C@H]21 ZINC000257208519 402703046 /nfs/dbraw/zinc/70/30/46/402703046.db2.gz BMMREKZKQJKNNP-GUDVDZBRSA-N 1 1 324.428 2.246 40 0 DEABMO CNc1cnc(C[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)CC2)cn1 ZINC000257205732 402703263 /nfs/dbraw/zinc/70/32/63/402703263.db2.gz BAJGJDFVRJIIID-CQSZACIVSA-N 1 1 314.437 2.097 40 0 DEABMO Cc1cnc(OCCc2cnc3n2CC[N@@H+](C(C)C)[C@@H]3C)nc1 ZINC000585098189 405868432 /nfs/dbraw/zinc/86/84/32/405868432.db2.gz RGNGVJRYIFNAHK-CQSZACIVSA-N 1 1 315.421 2.388 40 0 DEABMO Cc1cnc(OCCc2cnc3n2CC[N@H+](C(C)C)[C@@H]3C)nc1 ZINC000585098189 405868439 /nfs/dbraw/zinc/86/84/39/405868439.db2.gz RGNGVJRYIFNAHK-CQSZACIVSA-N 1 1 315.421 2.388 40 0 DEABMO CC[C@H](OC[C@@H](O)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000022030794 281012006 /nfs/dbraw/zinc/01/20/06/281012006.db2.gz VSEBAVWJBVADMN-ROUUACIJSA-N 1 1 306.450 2.153 40 0 DEABMO C[N@H+]1CCN2[C@H](CN(C(=O)c3ccc(Cl)cc3)CC2(C)C)C1 ZINC000253400461 290060325 /nfs/dbraw/zinc/06/03/25/290060325.db2.gz LHBYQFGYSOPBMH-HNNXBMFYSA-N 1 1 321.852 2.190 40 0 biogenic,in-vitro DEABMO COc1ccc2c(c1O)[C@]13CC[N@@H+](C)[C@H](C2)[C@@H]1CCC(=O)C3 ZINC000004777938 295277473 /nfs/dbraw/zinc/27/74/73/295277473.db2.gz CDGFTOARGCEWKI-IYOUNJFTSA-N 1 1 301.386 2.268 40 0 in-vitro DEABMO c1cc2n(n1)C[C@H](CCNc1ncccn1)C[N@@H+](C1CCC1)C2 ZINC000306126648 534476266 /nfs/dbraw/zinc/47/62/66/534476266.db2.gz FAWKRXWIOLTBNJ-CQSZACIVSA-N 1 1 312.421 2.160 40 0 DEABMO Fc1cccc(C[NH+]2CCN(c3nccn4ccnc34)CC2)c1 ZINC000306129776 534517872 /nfs/dbraw/zinc/51/78/72/534517872.db2.gz IMOCNJYYMRJKFZ-UHFFFAOYSA-N 1 1 311.364 2.191 40 0 DEABMO CC[C@@H](C)[C@H]([NH3+])c1nnc(S(=O)(=O)Cc2ccccc2)o1 ZINC000002341171 1077113880 /nfs/dbraw/zinc/11/38/80/1077113880.db2.gz HNXAAZHRCVCRNF-PWSUYJOCSA-N 1 1 309.391 2.089 40 0 DEABMO CC(C)[N@@H+](CCO)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391709 185168452 /nfs/dbraw/zinc/16/84/52/185168452.db2.gz SASWAEPWNDFWPI-QGZVFWFLSA-N 1 1 320.433 2.348 40 0 DEABMO NCC[N@H+](C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079391860 185168472 /nfs/dbraw/zinc/16/84/72/185168472.db2.gz ARRZYMAJRWRFKB-INIZCTEOSA-N 1 1 317.433 2.068 40 0 DEABMO NCC[N@@H+](C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079391860 185168473 /nfs/dbraw/zinc/16/84/73/185168473.db2.gz ARRZYMAJRWRFKB-INIZCTEOSA-N 1 1 317.433 2.068 40 0 DEABMO CC(C)[N@@H+](CCO)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391701 185168644 /nfs/dbraw/zinc/16/86/44/185168644.db2.gz OYGRQARHVPQSKP-KRWDZBQOSA-N 1 1 320.433 2.490 40 0 DEABMO Cn1cc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cn1 ZINC000072389996 191148045 /nfs/dbraw/zinc/14/80/45/191148045.db2.gz JUOMZSBWPPOAGB-OAHLLOKOSA-N 1 1 324.388 2.245 40 0 DEABMO CNc1ncccc1C[N@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(C)=O ZINC000019712326 354045405 /nfs/dbraw/zinc/04/54/05/354045405.db2.gz GDWNQQUQTBWKMH-DLBZAZTESA-N 1 1 316.449 2.489 40 0 DEABMO CO[C@@]1(COc2cccc(C)c2)CC[N@H+](Cc2cnccn2)C1 ZINC000585274960 357342152 /nfs/dbraw/zinc/34/21/52/357342152.db2.gz SFCSSGAXWQBZPV-SFHVURJKSA-N 1 1 313.401 2.455 40 0 DEABMO CO[C@@]1(COc2cccc(C)c2)CC[N@@H+](Cc2cnccn2)C1 ZINC000585274960 357342158 /nfs/dbraw/zinc/34/21/58/357342158.db2.gz SFCSSGAXWQBZPV-SFHVURJKSA-N 1 1 313.401 2.455 40 0 DEABMO CO[C@]1(COc2ccccc2C)CC[N@H+](Cc2cncnc2)C1 ZINC000585275034 357342775 /nfs/dbraw/zinc/34/27/75/357342775.db2.gz UJVHHZVIQXUETR-GOSISDBHSA-N 1 1 313.401 2.455 40 0 DEABMO CO[C@]1(COc2ccccc2C)CC[N@@H+](Cc2cncnc2)C1 ZINC000585275034 357342777 /nfs/dbraw/zinc/34/27/77/357342777.db2.gz UJVHHZVIQXUETR-GOSISDBHSA-N 1 1 313.401 2.455 40 0 DEABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)[C@@H]1OC ZINC000585290265 357345148 /nfs/dbraw/zinc/34/51/48/357345148.db2.gz AUBUCWMTUMKSHO-ZACQAIPSSA-N 1 1 304.390 2.029 40 0 DEABMO C[C@@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)C1=CC[N@@H+](C)CC1 ZINC000332842700 296061337 /nfs/dbraw/zinc/06/13/37/296061337.db2.gz VJZVOZKUTPXFKL-CJNGLKHVSA-N 1 1 317.437 2.297 40 0 DEABMO Cc1nc([C@@]2(C)CCC[N@H+](CC(C)C)C2)nc2c1CC(=O)N2C ZINC000257315662 203041544 /nfs/dbraw/zinc/04/15/44/203041544.db2.gz VCIBJTFFCPVPAF-SFHVURJKSA-N 1 1 316.449 2.313 40 0 DEABMO C[NH+](C)Cc1cncc([C@H]2CCCN2Cc2nccs2)n1 ZINC000257321116 203045059 /nfs/dbraw/zinc/04/50/59/203045059.db2.gz WADMLMCWVQKGIQ-CQSZACIVSA-N 1 1 303.435 2.332 40 0 DEABMO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3cccnc3)[C@H]2C1 ZINC000096054190 193505964 /nfs/dbraw/zinc/50/59/64/193505964.db2.gz RNYZSFDVHZPVAD-CVEARBPZSA-N 1 1 311.385 2.411 40 0 DEABMO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3cccnc3)[C@H]2C1 ZINC000096054190 193505966 /nfs/dbraw/zinc/50/59/66/193505966.db2.gz RNYZSFDVHZPVAD-CVEARBPZSA-N 1 1 311.385 2.411 40 0 DEABMO c1c(C[NH+]2CCCCC2)nc2n1CCN(Cc1ccccn1)C2 ZINC000096059406 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CCOc1ccccc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000016215684 182037523 /nfs/dbraw/zinc/03/75/23/182037523.db2.gz SAUTUQDAKPYZHU-UHFFFAOYSA-N 1 1 323.462 2.094 40 0 DEABMO Cc1[nH+]ccn1CCCNC(=O)c1n[nH]c2c1CCCCCC2 ZINC000019288139 182112720 /nfs/dbraw/zinc/11/27/20/182112720.db2.gz VWMZGWLEOSQTBG-UHFFFAOYSA-N 1 1 315.421 2.394 40 0 DEABMO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN(CCOC(C)C)CC2)c1 ZINC000022887327 182339134 /nfs/dbraw/zinc/33/91/34/182339134.db2.gz MENIMWONHDQUDI-IBGZPJMESA-N 1 1 320.477 2.379 40 0 DEABMO CC[NH+]1CCN(c2cc3sc(=NN)[nH]c3cc2Cl)CC1 ZINC000057332275 184033415 /nfs/dbraw/zinc/03/34/15/184033415.db2.gz ZMTOFEHBTIGQFW-UHFFFAOYSA-N 1 1 311.842 2.377 40 0 DEABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc3c(c2)OCCO3)cc1 ZINC000072227708 257122496 /nfs/dbraw/zinc/12/24/96/257122496.db2.gz BPIQIQZHNQQPPO-QZTJIDSGSA-N 1 1 324.380 2.435 40 0 DEABMO COc1cccc([C@H]2[C@H]([NH3+])C(=O)N2Cc2ccc(F)cc2)c1 ZINC000072228215 257122603 /nfs/dbraw/zinc/12/26/03/257122603.db2.gz IEGPLOSUACSWNI-HOTGVXAUSA-N 1 1 300.333 2.245 40 0 DEABMO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000514289608 257215710 /nfs/dbraw/zinc/21/57/10/257215710.db2.gz MBTFZDSGRBHQPS-ZBFHGGJFSA-N 1 1 314.410 2.466 40 0 biogenic,in-vitro DEABMO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000514289608 257215711 /nfs/dbraw/zinc/21/57/11/257215711.db2.gz MBTFZDSGRBHQPS-ZBFHGGJFSA-N 1 1 314.410 2.466 40 0 biogenic,in-vitro DEABMO COc1cc(Cc2c[nH+]c(N)nc2N)c(C(C)C)cc1OC ZINC000013984253 401805901 /nfs/dbraw/zinc/80/59/01/401805901.db2.gz PYNPWUIBJMVRIG-UHFFFAOYSA-N 1 1 302.378 2.372 40 0 in-vitro DEABMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000019367711 401822117 /nfs/dbraw/zinc/82/21/17/401822117.db2.gz RWRZHMOUEJRKMT-ZJPYXAASSA-N 1 1 312.498 2.072 40 0 DEABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1 ZINC000021434006 401825923 /nfs/dbraw/zinc/82/59/23/401825923.db2.gz MZXQDYFQFXGLHT-UHFFFAOYSA-N 1 1 323.440 2.121 40 0 DEABMO CCO[C@H]1CO[C@@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096107691 402059125 /nfs/dbraw/zinc/05/91/25/402059125.db2.gz UCFHNRSTGZFLHT-PBHICJAKSA-N 1 1 305.374 2.185 40 0 DEABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)s1 ZINC000096110035 402059476 /nfs/dbraw/zinc/05/94/76/402059476.db2.gz MRONUOSAEJINIJ-IUODEOHRSA-N 1 1 305.403 2.148 40 0 DEABMO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)C(C)C)C2)s1 ZINC000096108412 402059612 /nfs/dbraw/zinc/05/96/12/402059612.db2.gz HVKXHUSDTLHEOP-PBHICJAKSA-N 1 1 322.474 2.277 40 0 DEABMO CO[C@@H]1CCN(C(=O)c2ccsc2)[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096108554 402059630 /nfs/dbraw/zinc/05/96/30/402059630.db2.gz CEBKPKBKZAIUMW-ARFHVFGLSA-N 1 1 320.458 2.319 40 0 DEABMO O=C(NCc1cccs1)[C@@H]1C[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O1 ZINC000096043029 402049686 /nfs/dbraw/zinc/04/96/86/402049686.db2.gz CNTKCIYHSDUYEO-CWRNSKLLSA-N 1 1 320.458 2.254 40 0 DEABMO CC(C)NC(=O)[C@H]1C[C@@H]2CC[N@@H+](CCc3ccccc3)C[C@H]2O1 ZINC000096042683 402049724 /nfs/dbraw/zinc/04/97/24/402049724.db2.gz NWEYDZJOTSJOBT-RCCFBDPRSA-N 1 1 316.445 2.233 40 0 DEABMO Cc1noc([C@@H]2C[C@H]3C[N@H+](Cc4scnc4C)C[C@H]3O2)n1 ZINC000096045805 402050334 /nfs/dbraw/zinc/05/03/34/402050334.db2.gz ZSSLDPIIMSRREC-SDDRHHMPSA-N 1 1 306.391 2.105 40 0 DEABMO Cc1noc([C@@H]2C[C@H]3C[N@@H+](Cc4scnc4C)C[C@H]3O2)n1 ZINC000096045805 402050338 /nfs/dbraw/zinc/05/03/38/402050338.db2.gz ZSSLDPIIMSRREC-SDDRHHMPSA-N 1 1 306.391 2.105 40 0 DEABMO COc1ccc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)cc1 ZINC000096054996 402052473 /nfs/dbraw/zinc/05/24/73/402052473.db2.gz GASPNUSGLRSTIH-IEBWSBKVSA-N 1 1 316.445 2.380 40 0 DEABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)CC[C@H]32)o1 ZINC000096057318 402053418 /nfs/dbraw/zinc/05/34/18/402053418.db2.gz ATFMYCGPMHJCLY-ZACQAIPSSA-N 1 1 318.417 2.236 40 0 DEABMO O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC2)O1 ZINC000096065363 402055912 /nfs/dbraw/zinc/05/59/12/402055912.db2.gz QRZVNMQYQULXLT-OAGGEKHMSA-N 1 1 301.390 2.052 40 0 DEABMO Cc1cccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000096215239 402070932 /nfs/dbraw/zinc/07/09/32/402070932.db2.gz GYCDTHMMEVJRKD-MRXNPFEDSA-N 1 1 308.447 2.101 40 0 DEABMO c1ccc(O[C@@H]2CC[N@@H+](Cc3ccncc3)[C@H]3CCO[C@@H]32)nc1 ZINC000096218057 402071196 /nfs/dbraw/zinc/07/11/96/402071196.db2.gz PUQUCBJOWSLEKJ-JZXOWHBKSA-N 1 1 311.385 2.287 40 0 DEABMO c1ccc(O[C@@H]2CC[N@H+](Cc3ccncc3)[C@H]3CCO[C@@H]32)nc1 ZINC000096218057 402071199 /nfs/dbraw/zinc/07/11/99/402071199.db2.gz PUQUCBJOWSLEKJ-JZXOWHBKSA-N 1 1 311.385 2.287 40 0 DEABMO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NC4CCC4)[C@@H](C2)O3)cc1 ZINC000096253075 402074971 /nfs/dbraw/zinc/07/49/71/402074971.db2.gz AEAMQYYVSOLXOV-FGTMMUONSA-N 1 1 314.429 2.253 40 0 DEABMO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NC4CCC4)[C@@H](C2)O3)cc1 ZINC000096253075 402074972 /nfs/dbraw/zinc/07/49/72/402074972.db2.gz AEAMQYYVSOLXOV-FGTMMUONSA-N 1 1 314.429 2.253 40 0 DEABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]32)C(=O)N1C ZINC000096261397 402075689 /nfs/dbraw/zinc/07/56/89/402075689.db2.gz RKDQXIRCCDMYGZ-ZIFCJYIRSA-N 1 1 311.429 2.466 40 0 DEABMO COc1cccc(C[N@@H+](C)[C@H]2CCC[C@@H]3CN(C(N)=O)C[C@@H]32)c1 ZINC000096183134 402065155 /nfs/dbraw/zinc/06/51/55/402065155.db2.gz MBBSFDJRDCGLQW-PVAVHDDUSA-N 1 1 317.433 2.306 40 0 DEABMO O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]21)C1CC1 ZINC000096185462 402066144 /nfs/dbraw/zinc/06/61/44/402066144.db2.gz YWCKEDWJJQVKRI-HRCADAONSA-N 1 1 320.458 2.111 40 0 DEABMO Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)cn1 ZINC000096186413 402066305 /nfs/dbraw/zinc/06/63/05/402066305.db2.gz VSCWLYYYACWEDT-IRXDYDNUSA-N 1 1 310.401 2.190 40 0 DEABMO Cn1ncc2c1[C@H](COCC1CC1)C[N@@H+](CC1CCOCC1)C2 ZINC000096198320 402067195 /nfs/dbraw/zinc/06/71/95/402067195.db2.gz VIHLYVHBBBLXNF-KRWDZBQOSA-N 1 1 319.449 2.173 40 0 DEABMO O=C(c1ccco1)N1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC000096197260 402067518 /nfs/dbraw/zinc/06/75/18/402067518.db2.gz UFFGAIWDQAFEHN-UHFFFAOYSA-N 1 1 314.389 2.118 40 0 DEABMO c1cncc(C[C@H]2[C@@H](OCC3CC3)CC[N@H+]2[C@H]2CCOC2)c1 ZINC000096200560 402067909 /nfs/dbraw/zinc/06/79/09/402067909.db2.gz RUSYQJTWRATFLC-BZSNNMDCSA-N 1 1 302.418 2.283 40 0 DEABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)CC1CC1)[C@@H]2C ZINC000096201228 402068163 /nfs/dbraw/zinc/06/81/63/402068163.db2.gz XFUNRHNJMMHCQV-CYBMUJFWSA-N 1 1 304.438 2.427 40 0 DEABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COC(C)C ZINC000224429082 402314431 /nfs/dbraw/zinc/31/44/31/402314431.db2.gz NDEZZFFOPQTDTL-UHFFFAOYSA-N 1 1 306.406 2.008 40 0 DEABMO CCn1cc(-c2cncc([C@@H]3CCC[N@@H+](CCOC)C3)n2)cn1 ZINC000257246971 402708454 /nfs/dbraw/zinc/70/84/54/402708454.db2.gz IWTZJJLFTHQKKJ-CQSZACIVSA-N 1 1 315.421 2.186 40 0 DEABMO Cc1c(C[N@H+]2CCCC[C@@H]2c2ccnc(N(C)C)n2)cnn1C ZINC000257253208 402708936 /nfs/dbraw/zinc/70/89/36/402708936.db2.gz JXYBYBJXVKQLFR-MRXNPFEDSA-N 1 1 314.437 2.312 40 0 DEABMO Cc1c(C[N@@H+]2CCCC[C@@H]2c2ccnc(N(C)C)n2)cnn1C ZINC000257253208 402708939 /nfs/dbraw/zinc/70/89/39/402708939.db2.gz JXYBYBJXVKQLFR-MRXNPFEDSA-N 1 1 314.437 2.312 40 0 DEABMO Cc1nc[nH]c1C[N@H+]1CC[C@](C)(O)[C@@H](Oc2ccccc2)C1 ZINC000257261448 402709957 /nfs/dbraw/zinc/70/99/57/402709957.db2.gz LHIQDHYFRLOSKL-IRXDYDNUSA-N 1 1 301.390 2.122 40 0 DEABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](Cc2cccc(C)n2)C1 ZINC000257342795 402712027 /nfs/dbraw/zinc/71/20/27/402712027.db2.gz ZQEJWBGSDIZITJ-MRXNPFEDSA-N 1 1 312.417 2.376 40 0 DEABMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257205642 402702967 /nfs/dbraw/zinc/70/29/67/402702967.db2.gz AZZPNVAMGBKPLH-AWEZNQCLSA-N 1 1 304.438 2.163 40 0 DEABMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)nn1 ZINC000333146543 403676903 /nfs/dbraw/zinc/67/69/03/403676903.db2.gz LXLSUGTTZAVZIL-HNNXBMFYSA-N 1 1 302.422 2.312 40 0 DEABMO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)nn1 ZINC000333146545 403677145 /nfs/dbraw/zinc/67/71/45/403677145.db2.gz LXLSUGTTZAVZIL-OAHLLOKOSA-N 1 1 302.422 2.312 40 0 DEABMO Cc1cnc(OC[C@@H]2CCn3nccc3C[N@H+]2C2CCC2)nc1 ZINC000585096983 405866513 /nfs/dbraw/zinc/86/65/13/405866513.db2.gz GJEMUIPMRYMFQQ-INIZCTEOSA-N 1 1 313.405 2.187 40 0 DEABMO C[C@H](CO)Nc1nc(N2CCc3ccccc3C2)cc(C2CC2)[nH+]1 ZINC000329037496 424903078 /nfs/dbraw/zinc/90/30/78/424903078.db2.gz RNLBAOQKQOTZDB-CYBMUJFWSA-N 1 1 324.428 2.709 40 0 DEABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2c2ncccn2)n1 ZINC000072378788 274860159 /nfs/dbraw/zinc/86/01/59/274860159.db2.gz SZVZCSKWLKOVTE-AWEZNQCLSA-N 1 1 307.361 2.102 40 0 DEABMO c1ccc(C[N@H+]2CCc3ncnc(N4CCCC4)c3CC2)nc1 ZINC000096255444 275067161 /nfs/dbraw/zinc/06/71/61/275067161.db2.gz XUZLIFUQMCYPPF-UHFFFAOYSA-N 1 1 309.417 2.073 40 0 DEABMO CC[N@H+](CCN)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391797 276124297 /nfs/dbraw/zinc/12/42/97/276124297.db2.gz DYVKLCUTQDBUJB-QGZVFWFLSA-N 1 1 319.449 2.316 40 0 DEABMO CC[N@@H+](CCN)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391797 276124298 /nfs/dbraw/zinc/12/42/98/276124298.db2.gz DYVKLCUTQDBUJB-QGZVFWFLSA-N 1 1 319.449 2.316 40 0 DEABMO CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCC[N@@H+](CCO)C1 ZINC000079411151 185169853 /nfs/dbraw/zinc/16/98/53/185169853.db2.gz NYQJXGOHNLAGIF-KRWDZBQOSA-N 1 1 320.433 2.490 40 0 DEABMO NCC[N@H+](C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079391857 185168498 /nfs/dbraw/zinc/16/84/98/185168498.db2.gz ARRZYMAJRWRFKB-MRXNPFEDSA-N 1 1 317.433 2.068 40 0 DEABMO NCC[N@@H+](C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079391857 185168499 /nfs/dbraw/zinc/16/84/99/185168499.db2.gz ARRZYMAJRWRFKB-MRXNPFEDSA-N 1 1 317.433 2.068 40 0 DEABMO CC[N@@H+](CCN)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391789 185168567 /nfs/dbraw/zinc/16/85/67/185168567.db2.gz VLVOHPTYECSDBE-UHFFFAOYSA-N 1 1 305.422 2.068 40 0 DEABMO CCN(CC[NH3+])C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391789 185168568 /nfs/dbraw/zinc/16/85/68/185168568.db2.gz VLVOHPTYECSDBE-UHFFFAOYSA-N 1 1 305.422 2.068 40 0 DEABMO c1cc(CN2CC[C@@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)ccn1 ZINC000306144283 231091228 /nfs/dbraw/zinc/09/12/28/231091228.db2.gz ZBDVTIFYPZORBF-QZTJIDSGSA-N 1 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/nfs/dbraw/zinc/33/39/03/357333903.db2.gz DLUSSRRDIIYKGQ-LSDHHAIUSA-N 1 1 313.426 2.490 40 0 DEABMO Cc1n[nH]cc1C[N@H+]1CCC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585274858 357342436 /nfs/dbraw/zinc/34/24/36/357342436.db2.gz PSLGGUROBCYMCH-KRWDZBQOSA-N 1 1 319.380 2.263 40 0 DEABMO CCc1cc(C[N@@H+]2CC[C@@](O)(COc3ccc(F)cc3)C2)on1 ZINC000585278414 357343531 /nfs/dbraw/zinc/34/35/31/357343531.db2.gz SIIMAMOSACWBNE-KRWDZBQOSA-N 1 1 320.364 2.392 40 0 DEABMO CCc1cc(C[N@H+]2CC[C@@](O)(COc3ccc(F)cc3)C2)on1 ZINC000585278414 357343536 /nfs/dbraw/zinc/34/35/36/357343536.db2.gz SIIMAMOSACWBNE-KRWDZBQOSA-N 1 1 320.364 2.392 40 0 DEABMO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2C)nc(C)n1 ZINC000257293876 203018871 /nfs/dbraw/zinc/01/88/71/203018871.db2.gz QRONVPCSMLHBDQ-HNNXBMFYSA-N 1 1 300.410 2.206 40 0 DEABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2C)nc(C)n1 ZINC000257293876 203018875 /nfs/dbraw/zinc/01/88/75/203018875.db2.gz QRONVPCSMLHBDQ-HNNXBMFYSA-N 1 1 300.410 2.206 40 0 DEABMO 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