smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(N1CCCC1)N1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000828388622 759002850 /nfs/dbraw/zinc/00/28/50/759002850.db2.gz OGGAQSRUTOQPOO-CQSZACIVSA-N 1 1 317.455 0.371 50 0 DCAAMO Cc1cc(C)c(C(=O)NCC[N@H+]2CCCC[C@H]2CO)c(=O)[nH]1 ZINC000828710986 759074919 /nfs/dbraw/zinc/07/49/19/759074919.db2.gz USAAJXSRCZYEAC-ZDUSSCGKSA-N 1 1 307.394 0.981 50 0 DCAAMO CS(=O)(=O)CC[N@H+]1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 ZINC000219584334 766272657 /nfs/dbraw/zinc/27/26/57/766272657.db2.gz ZZJSYCFSQPPGTD-ZDUSSCGKSA-N 1 1 310.419 0.695 50 0 DCAAMO O[C@@H]1C[N@@H+](Cc2cnn3cccnc23)C[C@H]1Cc1cnccn1 ZINC001529178109 1014512925 /nfs/dbraw/zinc/51/29/25/1014512925.db2.gz IVTCQLUEUXVINY-IUODEOHRSA-N 1 1 310.361 0.555 50 0 DCAAMO Nc1cc(N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)nc[nH+]1 ZINC000082161156 185174051 /nfs/dbraw/zinc/17/40/51/185174051.db2.gz RODUHNYFUPKHPR-MRXNPFEDSA-N 1 1 319.409 0.650 50 0 DCAAMO CN(CCOc1ccccc1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000095448440 185368265 /nfs/dbraw/zinc/36/82/65/185368265.db2.gz JOFPTBKLROHRFD-MRXNPFEDSA-N 1 1 303.406 0.914 50 0 DCAAMO CC1CC[NH+](C[C@@H](O)Cn2ccnc2S(C)(=O)=O)CC1 ZINC000095438709 185365678 /nfs/dbraw/zinc/36/56/78/185365678.db2.gz GGIPAVBMHNUGNV-GFCCVEGCSA-N 1 1 301.412 0.379 50 0 DCAAMO CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000071712049 191011426 /nfs/dbraw/zinc/01/14/26/191011426.db2.gz BPOGWOCTBDRBRL-ZDUSSCGKSA-N 1 1 305.426 0.832 50 0 DCAAMO COCCC[N@H+]1CC[C@H](Cn2cnc3cn(C)nc3c2=O)C1 ZINC000072158062 191061073 /nfs/dbraw/zinc/06/10/73/191061073.db2.gz CWIRXWXRIZWRFC-LBPRGKRZSA-N 1 1 305.382 0.488 50 0 DCAAMO C[N@@H+]1CCN(C(=O)CCc2cn3ccccc3n2)C[C@@H]1CCO ZINC000072410122 191154667 /nfs/dbraw/zinc/15/46/67/191154667.db2.gz SEZQYNVZVORFCG-HNNXBMFYSA-N 1 1 316.405 0.792 50 0 DCAAMO C[N@H+]1CCN(C(=O)CCc2cn3ccccc3n2)C[C@@H]1CCO ZINC000072410122 191154670 /nfs/dbraw/zinc/15/46/70/191154670.db2.gz SEZQYNVZVORFCG-HNNXBMFYSA-N 1 1 316.405 0.792 50 0 DCAAMO COc1cc2c(cc1OC)CN(C(=O)[C@H]1COCC[NH2+]1)CC2 ZINC000237408185 202257546 /nfs/dbraw/zinc/25/75/46/202257546.db2.gz QWFCRJQJCAOPPK-CYBMUJFWSA-N 1 1 306.362 0.577 50 0 DCAAMO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[NH+](C2CC2)CC1 ZINC000071836783 283808454 /nfs/dbraw/zinc/80/84/54/283808454.db2.gz MAWVSIUWJVPJOZ-UHFFFAOYSA-N 1 1 320.393 0.158 50 0 DCAAMO NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ncccn1)CC2 ZINC000091644939 193084218 /nfs/dbraw/zinc/08/42/18/193084218.db2.gz QYUIMKZYYPPYSN-UHFFFAOYSA-N 1 1 317.393 0.167 50 0 DCAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3nc(C)no3)C2)C1=O ZINC000091737574 193099300 /nfs/dbraw/zinc/09/93/00/193099300.db2.gz ZRVSLPCKVWWGQF-HNNXBMFYSA-N 1 1 308.382 0.839 50 0 DCAAMO NC(=O)[C@H]1CCC[N@@H+](CCNc2nc(N)nc3c2CCCC3)C1 ZINC000091818932 193112304 /nfs/dbraw/zinc/11/23/04/193112304.db2.gz CMYHIBSRUFNOMG-NSHDSACASA-N 1 1 318.425 0.547 50 0 DCAAMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000017306055 182082401 /nfs/dbraw/zinc/08/24/01/182082401.db2.gz NHGHYWIQDBBMTI-LLVKDONJSA-N 1 1 316.365 0.716 50 0 DCAAMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)cc2)CC1 ZINC000019358560 182117821 /nfs/dbraw/zinc/11/78/21/182117821.db2.gz PZCRLHCPNYKRHM-UHFFFAOYSA-N 1 1 305.378 0.589 50 0 DCAAMO Cc1ccc(OC[C@@H](O)CN2CC[NH+](CCO)CC2)cc1C ZINC000021487182 182275084 /nfs/dbraw/zinc/27/50/84/182275084.db2.gz CPEUMMZDNSCLSL-INIZCTEOSA-N 1 1 308.422 0.653 50 0 DCAAMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CCO)CC2)cc1C ZINC000021487182 182275086 /nfs/dbraw/zinc/27/50/86/182275086.db2.gz CPEUMMZDNSCLSL-INIZCTEOSA-N 1 1 308.422 0.653 50 0 DCAAMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)CN1CCOCC1 ZINC000024840017 182392840 /nfs/dbraw/zinc/39/28/40/182392840.db2.gz QNWZTEXBSMTIEL-CQSZACIVSA-N 1 1 308.378 0.540 50 0 DCAAMO COc1ccc(CNC(=O)[C@@H](C)N2CC[NH+](CCO)CC2)cc1 ZINC000043305555 183353137 /nfs/dbraw/zinc/35/31/37/183353137.db2.gz YHXBWKQEFMLJDN-CQSZACIVSA-N 1 1 321.421 0.310 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000044604530 183427144 /nfs/dbraw/zinc/42/71/44/183427144.db2.gz NRQGTHJUJFSLSH-CQSZACIVSA-N 1 1 307.394 0.472 50 0 DCAAMO CN(CCCc1[nH+]ccn1C)c1nccc(N2CC[C@@H](O)C2)n1 ZINC000106263426 194192811 /nfs/dbraw/zinc/19/28/11/194192811.db2.gz GIXBLQUMIOKYON-CYBMUJFWSA-N 1 1 316.409 0.850 50 0 DCAAMO CC[C@H]1CN([C@H](C)C(=O)Nc2ncccn2)CC[N@H+]1CCOC ZINC000106777152 194251627 /nfs/dbraw/zinc/25/16/27/194251627.db2.gz HQAZVIGLUDLENK-KGLIPLIRSA-N 1 1 321.425 0.846 50 0 DCAAMO CCc1nc(C)c(CN2CC[NH+](CCn3cncn3)CC2)[nH]1 ZINC000065424843 184343080 /nfs/dbraw/zinc/34/30/80/184343080.db2.gz LXZFNJKQFJUICR-UHFFFAOYSA-N 1 1 303.414 0.690 50 0 DCAAMO O=c1oc2ccccc2n1CC[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065460976 184349133 /nfs/dbraw/zinc/34/91/33/184349133.db2.gz MCAZOVRJCONUSN-NEPJUHHUSA-N 1 1 301.346 0.947 50 0 DCAAMO COCC[N@H+]1CCC[C@H](Cn2cnc3cn(C)nc3c2=O)C1 ZINC000072154609 285031230 /nfs/dbraw/zinc/03/12/30/285031230.db2.gz NVCCXXRYTIUNGF-LBPRGKRZSA-N 1 1 305.382 0.488 50 0 DCAAMO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1CSC[NH2+]1)CC2 ZINC000236952620 257239522 /nfs/dbraw/zinc/23/95/22/257239522.db2.gz BVOAQLUUGHRSJE-UTUOFQBUSA-N 1 1 300.424 0.427 50 0 DCAAMO CN(Cc1cscn1)C(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000426541349 257246854 /nfs/dbraw/zinc/24/68/54/257246854.db2.gz MIKZGURPLHVLGE-GFCCVEGCSA-N 1 1 312.439 0.989 50 0 DCAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)NCc1nnn[n-]1 ZINC000426538389 257246926 /nfs/dbraw/zinc/24/69/26/257246926.db2.gz LPRFVCLLEMUWOI-LBPRGKRZSA-N 1 1 301.354 0.056 50 0 DCAAMO C[C@@H](CS(C)(=O)=O)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426549871 257247165 /nfs/dbraw/zinc/24/71/65/257247165.db2.gz DFAQEUYRJCVWTG-ZDUSSCGKSA-N 1 1 303.472 0.179 50 0 DCAAMO C[C@@H](CS(C)(=O)=O)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426549871 257247166 /nfs/dbraw/zinc/24/71/66/257247166.db2.gz DFAQEUYRJCVWTG-ZDUSSCGKSA-N 1 1 303.472 0.179 50 0 DCAAMO Cc1cc(NC(=O)CCN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)no1 ZINC000284887113 131119717 /nfs/dbraw/zinc/11/97/17/131119717.db2.gz QYQIXKHMOVNMBK-QWHCGFSZSA-N 1 1 308.382 0.717 50 0 DCAAMO CC[N@@H+](CCC(=O)NC(=O)NC)C[C@H]1COc2ccccc2O1 ZINC000012972105 395688254 /nfs/dbraw/zinc/68/82/54/395688254.db2.gz MLWCLDBFASYRMW-LBPRGKRZSA-N 1 1 321.377 0.994 50 0 DCAAMO Cn1cc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2CC(C)(C)C)cn1 ZINC000013596973 395688657 /nfs/dbraw/zinc/68/86/57/395688657.db2.gz ONJCLVDPIZTGEX-ZDUSSCGKSA-N 1 1 321.425 0.273 50 0 DCAAMO Cn1cc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)cn1 ZINC000013596973 395688658 /nfs/dbraw/zinc/68/86/58/395688658.db2.gz ONJCLVDPIZTGEX-ZDUSSCGKSA-N 1 1 321.425 0.273 50 0 DCAAMO O=C(C[NH+]1CCC(O)CC1)N1CCN(c2ccccc2F)CC1 ZINC000021581897 395691589 /nfs/dbraw/zinc/69/15/89/395691589.db2.gz FNFRUKVUFASTJA-UHFFFAOYSA-N 1 1 321.396 0.931 50 0 DCAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)CC1=CCCCC1 ZINC000089382640 395710444 /nfs/dbraw/zinc/71/04/44/395710444.db2.gz KEAIFESUPWMBPB-MRXNPFEDSA-N 1 1 309.454 0.944 50 0 DCAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000089718319 395714431 /nfs/dbraw/zinc/71/44/31/395714431.db2.gz FCNBQMQJUFOJBZ-CYBMUJFWSA-N 1 1 319.369 0.093 50 0 DCAAMO COc1cccc(OCCNC(=O)CN2CC[N@@H+](C)C[C@H]2C)c1 ZINC000089939029 395716995 /nfs/dbraw/zinc/71/69/95/395716995.db2.gz SOBSLUJGUHZZBX-CQSZACIVSA-N 1 1 321.421 0.826 50 0 DCAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000095402313 395740588 /nfs/dbraw/zinc/74/05/88/395740588.db2.gz YSOVKLSZSDBBQA-ZDUSSCGKSA-N 1 1 317.397 0.745 50 0 DCAAMO CC(C)c1nc(N(C)C)nc(N2CC[NH+](CCCO)CC2)n1 ZINC000096488999 395753682 /nfs/dbraw/zinc/75/36/82/395753682.db2.gz BNPWTSRGEIJCCC-UHFFFAOYSA-N 1 1 308.430 0.565 50 0 DCAAMO CN1CCN([C@@H]2CC[N@@H+](Cc3ccc(OCCO)cc3)C2)CC1 ZINC000097259186 395756394 /nfs/dbraw/zinc/75/63/94/395756394.db2.gz IWAMGDNVKCJOJS-QGZVFWFLSA-N 1 1 319.449 0.879 50 0 DCAAMO NS(=O)(=O)N1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000097233685 395756623 /nfs/dbraw/zinc/75/66/23/395756623.db2.gz XCDLFGXNSKRRFD-UHFFFAOYSA-N 1 1 301.387 0.579 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ccco2)CC1 ZINC000046869150 395781626 /nfs/dbraw/zinc/78/16/26/395781626.db2.gz MRCGJJSNSGUHME-UHFFFAOYSA-N 1 1 308.382 0.631 50 0 DCAAMO CC(C)(C)c1cc(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)[nH]n1 ZINC000097578689 395759191 /nfs/dbraw/zinc/75/91/91/395759191.db2.gz FRBJTNVWDRMYIO-GJZGRUSLSA-N 1 1 322.453 0.975 50 0 DCAAMO C[N@H+]1[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000100115339 395762718 /nfs/dbraw/zinc/76/27/18/395762718.db2.gz STECJAGHUSJQJN-WGGGBPLMSA-N 1 1 303.358 0.918 50 0 biogenic,in-vitro DCAAMO C[N@@H+]1[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000100115339 395762720 /nfs/dbraw/zinc/76/27/20/395762720.db2.gz STECJAGHUSJQJN-WGGGBPLMSA-N 1 1 303.358 0.918 50 0 biogenic,in-vitro DCAAMO O=C1C[C@@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100469242 395763250 /nfs/dbraw/zinc/76/32/50/395763250.db2.gz MUHWOSCKXTZLGL-CQSZACIVSA-N 1 1 321.352 0.068 50 0 DCAAMO CCn1cnnc1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000048261768 395811592 /nfs/dbraw/zinc/81/15/92/395811592.db2.gz UWGVRZPIYCXWER-ZDUSSCGKSA-N 1 1 324.429 0.454 50 0 DCAAMO O=C(CN1CCOC1=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000219934693 395846955 /nfs/dbraw/zinc/84/69/55/395846955.db2.gz SEKHRWRUVYXZJJ-UHFFFAOYSA-N 1 1 318.377 0.568 50 0 DCAAMO O=C(CN1CCOC1=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000219934693 395846957 /nfs/dbraw/zinc/84/69/57/395846957.db2.gz SEKHRWRUVYXZJJ-UHFFFAOYSA-N 1 1 318.377 0.568 50 0 DCAAMO CCc1[nH+]ccn1CC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000219967186 395847223 /nfs/dbraw/zinc/84/72/23/395847223.db2.gz LXTJQDDUTPXYOF-UHFFFAOYSA-N 1 1 316.409 0.523 50 0 DCAAMO CC(C)C[N@H+]1CCN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1CCO ZINC000222867645 395853490 /nfs/dbraw/zinc/85/34/90/395853490.db2.gz VIPRLCZDHDWQIA-ZDUSSCGKSA-N 1 1 307.394 0.540 50 0 DCAAMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000054455490 395900155 /nfs/dbraw/zinc/90/01/55/395900155.db2.gz OBAKYFPPUCCPDU-AWEZNQCLSA-N 1 1 300.366 0.231 50 0 DCAAMO COC(=O)[C@@](C)(O)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000225561917 395862285 /nfs/dbraw/zinc/86/22/85/395862285.db2.gz NCCXCOOQZYZIDY-INIZCTEOSA-N 1 1 308.378 0.434 50 0 DCAAMO C[C@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229576979 395875487 /nfs/dbraw/zinc/87/54/87/395875487.db2.gz SXAUNLLPTSVXTJ-MQYQWHSLSA-N 1 1 323.437 0.611 50 0 DCAAMO C[C@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229576979 395875491 /nfs/dbraw/zinc/87/54/91/395875491.db2.gz SXAUNLLPTSVXTJ-MQYQWHSLSA-N 1 1 323.437 0.611 50 0 DCAAMO O[C@@H](COCc1ccco1)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000229554938 395875558 /nfs/dbraw/zinc/87/55/58/395875558.db2.gz HJWSRRACEWBEPS-GDBMZVCRSA-N 1 1 321.377 0.755 50 0 DCAAMO O[C@@H](COCc1ccco1)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000229554938 395875562 /nfs/dbraw/zinc/87/55/62/395875562.db2.gz HJWSRRACEWBEPS-GDBMZVCRSA-N 1 1 321.377 0.755 50 0 DCAAMO C[C@@H](C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccc(F)cc1 ZINC000230310540 395879948 /nfs/dbraw/zinc/87/99/48/395879948.db2.gz HOYVCXUCIRCGPE-FZMZJTMJSA-N 1 1 305.353 0.572 50 0 DCAAMO C[C@@H](C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccc(F)cc1 ZINC000230310540 395879951 /nfs/dbraw/zinc/87/99/51/395879951.db2.gz HOYVCXUCIRCGPE-FZMZJTMJSA-N 1 1 305.353 0.572 50 0 DCAAMO C[N@@H+]1CCN(c2ncc(F)c(N3CCCC3)n2)C[C@@H]1CCO ZINC000065382444 395993306 /nfs/dbraw/zinc/99/33/06/395993306.db2.gz ODHNZCGUGLKSRQ-LBPRGKRZSA-N 1 1 309.389 0.719 50 0 DCAAMO C[N@H+]1CCN(c2ncc(F)c(N3CCCC3)n2)C[C@@H]1CCO ZINC000065382444 395993310 /nfs/dbraw/zinc/99/33/10/395993310.db2.gz ODHNZCGUGLKSRQ-LBPRGKRZSA-N 1 1 309.389 0.719 50 0 DCAAMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cnc(N2CCOCC2)nc1 ZINC000065404677 395993493 /nfs/dbraw/zinc/99/34/93/395993493.db2.gz HWOSGPFPEWKWFR-KGLIPLIRSA-N 1 1 317.393 0.166 50 0 DCAAMO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cnc(N2CCOCC2)nc1 ZINC000065404677 395993496 /nfs/dbraw/zinc/99/34/96/395993496.db2.gz HWOSGPFPEWKWFR-KGLIPLIRSA-N 1 1 317.393 0.166 50 0 DCAAMO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2C)C[C@H]1C(=O)NC1CC1 ZINC000253414374 396028181 /nfs/dbraw/zinc/02/81/81/396028181.db2.gz XGRISNFGTQKINO-DZGCQCFKSA-N 1 1 306.410 0.702 50 0 DCAAMO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000253490439 396029305 /nfs/dbraw/zinc/02/93/05/396029305.db2.gz IRUZDODHHQGWPC-CHWSQXEVSA-N 1 1 302.440 0.896 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000253490439 396029308 /nfs/dbraw/zinc/02/93/08/396029308.db2.gz IRUZDODHHQGWPC-CHWSQXEVSA-N 1 1 302.440 0.896 50 0 DCAAMO Cc1cc(=O)n(CC[N@H+](C)CCCc2nccn2C)c(=O)[nH]1 ZINC000253536367 396029681 /nfs/dbraw/zinc/02/96/81/396029681.db2.gz OXPHOTYZPYTLCK-UHFFFAOYSA-N 1 1 305.382 0.555 50 0 DCAAMO CCCn1[nH]ccc1=NC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000254498568 396032375 /nfs/dbraw/zinc/03/23/75/396032375.db2.gz DCGKJTGVDCTDSW-ZIAGYGMSSA-N 1 1 323.441 0.040 50 0 DCAAMO CCCn1[nH]ccc1=NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000254498568 396032378 /nfs/dbraw/zinc/03/23/78/396032378.db2.gz DCGKJTGVDCTDSW-ZIAGYGMSSA-N 1 1 323.441 0.040 50 0 DCAAMO CC[N@@H+]1CCO[C@H](CN2CCC[C@H]2C(=O)NCC(F)(F)F)C1 ZINC000249694994 396011328 /nfs/dbraw/zinc/01/13/28/396011328.db2.gz QCCPKTMJYDMQIR-RYUDHWBXSA-N 1 1 323.359 0.850 50 0 DCAAMO CC[N@H+]1CCO[C@H](CN2CCC[C@H]2C(=O)NCC(F)(F)F)C1 ZINC000249694994 396011331 /nfs/dbraw/zinc/01/13/31/396011331.db2.gz QCCPKTMJYDMQIR-RYUDHWBXSA-N 1 1 323.359 0.850 50 0 DCAAMO Cc1noc([C@@H](C)N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)n1 ZINC000069697289 396087226 /nfs/dbraw/zinc/08/72/26/396087226.db2.gz VZCLZHRWAZZPIE-OCCSQVGLSA-N 1 1 320.397 0.314 50 0 DCAAMO CCOC(=O)c1cnn(CC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1N ZINC000069701387 396087659 /nfs/dbraw/zinc/08/76/59/396087659.db2.gz KHZBWLURTWUDAL-GFCCVEGCSA-N 1 1 323.397 0.195 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC000069706808 396087988 /nfs/dbraw/zinc/08/79/88/396087988.db2.gz KAAKBWSOZZLNGO-CYBMUJFWSA-N 1 1 320.397 0.159 50 0 DCAAMO 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/nfs/dbraw/zinc/25/08/14/760250814.db2.gz MKHPVRJRBZFERP-GDBMZVCRSA-N 1 1 319.405 0.673 50 0 DCAAMO O=C(c1ccccn1)N1CCC2(C[C@H]3C(=O)NCC[N@@H+]3C2)CC1 ZINC000581811591 760253763 /nfs/dbraw/zinc/25/37/63/760253763.db2.gz SRBDXOCLYLGBRV-AWEZNQCLSA-N 1 1 314.389 0.508 50 0 DCAAMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cnc3ccnn3c2)[C@@H](C)C1 ZINC000585119918 766287478 /nfs/dbraw/zinc/28/74/78/766287478.db2.gz ZXVCDAHVJUWNBZ-NWDGAFQWSA-N 1 1 318.381 0.648 50 0 DCAAMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cnc3ccnn3c2)[C@@H](C)C1 ZINC000585119918 766287483 /nfs/dbraw/zinc/28/74/83/766287483.db2.gz ZXVCDAHVJUWNBZ-NWDGAFQWSA-N 1 1 318.381 0.648 50 0 DCAAMO Cc1nc[nH]c1C(=O)N1CCC[N@@H+](C[C@H]2COCCO2)CC1 ZINC001529185130 1014514630 /nfs/dbraw/zinc/51/46/30/1014514630.db2.gz KKMGMBFSKQCGQE-ZDUSSCGKSA-N 1 1 308.382 0.281 50 0 DCAAMO C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)CC2 ZINC001506396130 1017253532 /nfs/dbraw/zinc/25/35/32/1017253532.db2.gz AHDRYNNJXUDEGU-CYBMUJFWSA-N 1 1 308.426 0.721 50 0 DCAAMO 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CCN1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000019790830 182149458 /nfs/dbraw/zinc/14/94/58/182149458.db2.gz MWHAVCWXXNMAKZ-ZDUSSCGKSA-N 1 1 308.378 0.793 50 0 DCAAMO O=C(CN1CCC(O)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020950982 182256194 /nfs/dbraw/zinc/25/61/94/182256194.db2.gz BWVBNXBPBYRCQJ-MRXNPFEDSA-N 1 1 317.433 0.834 50 0 DCAAMO COc1cc(C)c(CN2CC[NH+](C[C@@H](O)CO)CC2)cc1OC ZINC000022780800 182333698 /nfs/dbraw/zinc/33/36/98/182333698.db2.gz FVKVSBKVYGIOQT-OAHLLOKOSA-N 1 1 324.421 0.483 50 0 DCAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(=O)[nH]c2)C[C@H](C)O1 ZINC000040489226 183079263 /nfs/dbraw/zinc/07/92/63/183079263.db2.gz BGLPOGLYAJILTC-RYUDHWBXSA-N 1 1 307.394 0.993 50 0 DCAAMO Cn1c(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc(=O)n(C)c1=O ZINC000056635859 184016430 /nfs/dbraw/zinc/01/64/30/184016430.db2.gz LTZIXJXFLSESML-UHFFFAOYSA-N 1 1 317.345 0.445 50 0 DCAAMO Cn1c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc(=O)n(C)c1=O ZINC000056635859 184016432 /nfs/dbraw/zinc/01/64/32/184016432.db2.gz 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O=C1CCCN1C[C@@H](O)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000172434838 396131030 /nfs/dbraw/zinc/13/10/30/396131030.db2.gz BHHWYQJIPQQDML-INIZCTEOSA-N 1 1 309.454 0.920 50 0 DCAAMO COc1c(CNCC(=O)N2CC[NH+](C)CC2)c(C(C)C)nn1C ZINC000069510878 396081135 /nfs/dbraw/zinc/08/11/35/396081135.db2.gz BBGBQLWESJAOOO-UHFFFAOYSA-N 1 1 323.441 0.416 50 0 DCAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cncn2)n(C)n1 ZINC000069589576 396083952 /nfs/dbraw/zinc/08/39/52/396083952.db2.gz XSWHYVGSJBORHP-GFCCVEGCSA-N 1 1 303.370 0.423 50 0 DCAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cncn2)n(C)n1 ZINC000069589576 396083953 /nfs/dbraw/zinc/08/39/53/396083953.db2.gz XSWHYVGSJBORHP-GFCCVEGCSA-N 1 1 303.370 0.423 50 0 DCAAMO CC(=O)N1CCC(C[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)CC1 ZINC000076048413 396193600 /nfs/dbraw/zinc/19/36/00/396193600.db2.gz PNEDSASPKBCAJK-CQSZACIVSA-N 1 1 307.398 0.745 50 0 DCAAMO CC(=O)N1CCC(C[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)CC1 ZINC000076048413 396193602 /nfs/dbraw/zinc/19/36/02/396193602.db2.gz 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396635507 /nfs/dbraw/zinc/63/55/07/396635507.db2.gz NUUVVKVHTSALHN-UHFFFAOYSA-N 1 1 317.393 0.522 50 0 DCAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000593876105 397465313 /nfs/dbraw/zinc/46/53/13/397465313.db2.gz VBNKSQSPUAMGAO-TUAOUCFPSA-N 1 1 310.398 0.354 50 0 DCAAMO CCc1nnc2ccc(N3CC[N@@H+](CCOC)[C@@H](C)C3)nn21 ZINC000246246177 287079939 /nfs/dbraw/zinc/07/99/39/287079939.db2.gz SDQSGUSICWPFJU-LBPRGKRZSA-N 1 1 304.398 0.844 50 0 DCAAMO C[NH+]1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000025461250 415161665 /nfs/dbraw/zinc/16/16/65/415161665.db2.gz RXDJEWSQRIMMOI-UHFFFAOYSA-N 1 1 300.362 0.630 50 0 DCAAMO Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)n(C)n1 ZINC000043434045 415214975 /nfs/dbraw/zinc/21/49/75/415214975.db2.gz JKTGOYYATRHZFR-UHFFFAOYSA-N 1 1 308.430 0.876 50 0 DCAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1ccncc1 ZINC000044967835 415240962 /nfs/dbraw/zinc/24/09/62/415240962.db2.gz FXJYSNDRWBJSAY-ZFWWWQNUSA-N 1 1 320.393 0.940 50 0 DCAAMO CC[C@H](CNC(=O)Cn1cnnn1)[N@H+]1CCc2ccccc2C1 ZINC000046246600 415259771 /nfs/dbraw/zinc/25/97/71/415259771.db2.gz YPWLPXWDRUQHHO-OAHLLOKOSA-N 1 1 314.393 0.626 50 0 DCAAMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000332132193 415261450 /nfs/dbraw/zinc/26/14/50/415261450.db2.gz JVBMQRFEQWDQEO-INIZCTEOSA-N 1 1 324.446 0.910 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1nnc2ccccc2c1=O ZINC000044890063 415228986 /nfs/dbraw/zinc/22/89/86/415228986.db2.gz PBOHKEGZDNJHSY-LBPRGKRZSA-N 1 1 315.377 0.392 50 0 DCAAMO C[C@@H](Cc1ccco1)NC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000044914882 415231946 /nfs/dbraw/zinc/23/19/46/415231946.db2.gz KDSDHETZBRTGDL-NSHDSACASA-N 1 1 308.382 0.460 50 0 DCAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1ccncc1 ZINC000044911462 415232139 /nfs/dbraw/zinc/23/21/39/415232139.db2.gz MFGWDIFEUZZWRK-CABCVRRESA-N 1 1 305.378 0.549 50 0 DCAAMO Cc1nc2sc3c(c2c(N2CC[NH2+][C@@H](C(N)=O)C2)n1)CCC3 ZINC000057386253 415336580 /nfs/dbraw/zinc/33/65/80/415336580.db2.gz 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/nfs/dbraw/zinc/56/24/18/415562418.db2.gz PTPLNDDDWQVDGG-UHFFFAOYSA-N 1 1 303.410 0.930 50 0 DCAAMO CC[C@@H]1CN(CC(=O)NCc2ccccn2)CC[N@H+]1C[C@H](C)O ZINC000106929224 415657877 /nfs/dbraw/zinc/65/78/77/415657877.db2.gz YJUXBNNVRDQYIJ-GOEBONIOSA-N 1 1 320.437 0.475 50 0 DCAAMO CCOCC[N@@H+]1CCN(C(=O)CNC(=O)[C@H](C)CC)C[C@@H]1C ZINC000107352735 415666277 /nfs/dbraw/zinc/66/62/77/415666277.db2.gz JQICOMKFQXSCHO-KGLIPLIRSA-N 1 1 313.442 0.718 50 0 DCAAMO CCOCC[N@H+]1CCN(C(=O)CNC(=O)[C@H](C)CC)C[C@@H]1C ZINC000107352735 415666283 /nfs/dbraw/zinc/66/62/83/415666283.db2.gz JQICOMKFQXSCHO-KGLIPLIRSA-N 1 1 313.442 0.718 50 0 DCAAMO C[C@H](CNC(=O)NCCCn1cncn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000107573956 415666675 /nfs/dbraw/zinc/66/66/75/415666675.db2.gz AAAGFCYPKRKQSP-MGPQQGTHSA-N 1 1 324.429 0.465 50 0 DCAAMO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cccc3[nH]nnc32)C[C@H]1O ZINC000299778402 416067600 /nfs/dbraw/zinc/06/76/00/416067600.db2.gz PNVSQXNPKFEFGL-GXFFZTMASA-N 1 1 318.381 0.734 50 0 DCAAMO CCc1nccc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 ZINC000299785952 416069050 /nfs/dbraw/zinc/06/90/50/416069050.db2.gz MWZXFUGBQFPIFR-KBPBESRZSA-N 1 1 300.366 0.976 50 0 DCAAMO CCc1nccc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 ZINC000299785952 416069052 /nfs/dbraw/zinc/06/90/52/416069052.db2.gz MWZXFUGBQFPIFR-KBPBESRZSA-N 1 1 300.366 0.976 50 0 DCAAMO Cn1cc(NC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)nn1 ZINC000299787411 416069174 /nfs/dbraw/zinc/06/91/74/416069174.db2.gz WUMQVLGWXUAFFX-UHFFFAOYSA-N 1 1 315.381 0.950 50 0 DCAAMO Cn1cc(NC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)nn1 ZINC000299787411 416069176 /nfs/dbraw/zinc/06/91/76/416069176.db2.gz WUMQVLGWXUAFFX-UHFFFAOYSA-N 1 1 315.381 0.950 50 0 DCAAMO COCC[N@H+]1CC[C@H](CN(C)C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000299794958 416069419 /nfs/dbraw/zinc/06/94/19/416069419.db2.gz KGWNTWCOTGGLAT-CQSZACIVSA-N 1 1 308.426 0.996 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCCO2)CC1=O ZINC000189543746 416267175 /nfs/dbraw/zinc/26/71/75/416267175.db2.gz GFTQCWCADGIKDP-ZIAGYGMSSA-N 1 1 309.410 0.873 50 0 DCAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)N(C)Cc2ccco2)C[C@H]1C ZINC000247058627 416332663 /nfs/dbraw/zinc/33/26/63/416332663.db2.gz FUTGUFYFYRNJHP-KGLIPLIRSA-N 1 1 309.410 0.625 50 0 DCAAMO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc2nsnc2c1 ZINC000240825143 416330118 /nfs/dbraw/zinc/33/01/18/416330118.db2.gz QNIMZBZXMFDXJD-UHFFFAOYSA-N 1 1 306.391 0.982 50 0 DCAAMO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc2nsnc2c1 ZINC000240825143 416330119 /nfs/dbraw/zinc/33/01/19/416330119.db2.gz QNIMZBZXMFDXJD-UHFFFAOYSA-N 1 1 306.391 0.982 50 0 DCAAMO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@@](O)(CO)CC1 ZINC000244723884 416330704 /nfs/dbraw/zinc/33/07/04/416330704.db2.gz MJIRYXXGJLVDCX-KRWDZBQOSA-N 1 1 306.406 0.821 50 0 DCAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCn1cnnn1 ZINC000583652716 416482588 /nfs/dbraw/zinc/48/25/88/416482588.db2.gz SCMKJFYOBCIIAO-KGLIPLIRSA-N 1 1 306.414 0.786 50 0 biogenic DCAAMO C[NH+]1CCN(C(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)CC1 ZINC000575605409 417539570 /nfs/dbraw/zinc/53/95/70/417539570.db2.gz PCCRVZYANFUVSK-CYBMUJFWSA-N 1 1 323.372 0.826 50 0 DCAAMO CCCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CC)n(C)c1=O ZINC000010330667 273606626 /nfs/dbraw/zinc/60/66/26/273606626.db2.gz JDKOWMTVLIZJJP-UHFFFAOYSA-N 1 1 318.381 0.913 50 0 DCAAMO Cn1ncc2c1nc(N1CC[NH+](C)CC1)nc2N1CCCC1 ZINC000020738571 274902506 /nfs/dbraw/zinc/90/25/06/274902506.db2.gz DFBFDRZHAVAEKE-UHFFFAOYSA-N 1 1 301.398 0.715 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)CSC(F)(F)F)CC1 ZINC000031234887 276999517 /nfs/dbraw/zinc/99/95/17/276999517.db2.gz GCYQMCXMPZQDOD-UHFFFAOYSA-N 1 1 313.345 0.566 50 0 DCAAMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccnn3CC(F)F)[C@H]2C1 ZINC000285645314 277152731 /nfs/dbraw/zinc/15/27/31/277152731.db2.gz FPOHVOXPVDCJRJ-RYUDHWBXSA-N 1 1 314.336 0.693 50 0 DCAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCOC[C@@H]2C)CC1 ZINC000096444049 279360568 /nfs/dbraw/zinc/36/05/68/279360568.db2.gz HDDHGXNHLLGRDY-CABCVRRESA-N 1 1 312.458 0.690 50 0 DCAAMO Cc1c[nH]c(C[N@@H+]2CCc3nc(N(C)C)[nH]c(=O)c3CC2)n1 ZINC000065375777 280279132 /nfs/dbraw/zinc/27/91/32/280279132.db2.gz WRNBOIUXTUTNOU-UHFFFAOYSA-N 1 1 302.382 0.468 50 0 DCAAMO Cc1c[nH]c(C[N@H+]2CCc3nc(N(C)C)[nH]c(=O)c3CC2)n1 ZINC000065375777 280279134 /nfs/dbraw/zinc/27/91/34/280279134.db2.gz WRNBOIUXTUTNOU-UHFFFAOYSA-N 1 1 302.382 0.468 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 ZINC000071881080 280991505 /nfs/dbraw/zinc/99/15/05/280991505.db2.gz FKJJOTGOBIERCU-HNNXBMFYSA-N 1 1 322.453 0.885 50 0 DCAAMO Cc1nc2c(c(NCCN3CCNC3=O)n1)CC[N@@H+](C)CC2 ZINC000065374137 282013003 /nfs/dbraw/zinc/01/30/03/282013003.db2.gz XIPBLSQLMLAKEW-UHFFFAOYSA-N 1 1 304.398 0.253 50 0 DCAAMO CCc1oc(C(N)=O)cc1CN1CCC2(CC1)C[NH2+]CCO2 ZINC000534653679 334312808 /nfs/dbraw/zinc/31/28/08/334312808.db2.gz ZZAQZLAYEFAINS-UHFFFAOYSA-N 1 1 307.394 0.895 50 0 DCAAMO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)CCCC(=O)OC)C[C@H]1C ZINC000390835201 527932926 /nfs/dbraw/zinc/93/29/26/527932926.db2.gz GLTKKUDFURPSKN-VXGBXAGGSA-N 1 1 306.428 0.684 50 0 DCAAMO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)CCCC(=O)OC)C[C@H]1C ZINC000390835201 527932927 /nfs/dbraw/zinc/93/29/27/527932927.db2.gz GLTKKUDFURPSKN-VXGBXAGGSA-N 1 1 306.428 0.684 50 0 DCAAMO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000084325929 545699889 /nfs/dbraw/zinc/69/98/89/545699889.db2.gz QRINROYLFLZYHN-ZDUSSCGKSA-N 1 1 307.442 0.970 50 0 DCAAMO CCn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2CO)cn1 ZINC000670459490 547097285 /nfs/dbraw/zinc/09/72/85/547097285.db2.gz LEMXEMGASGQFNN-LBPRGKRZSA-N 1 1 316.427 0.028 50 0 DCAAMO CCn1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2CO)cn1 ZINC000670459490 547097293 /nfs/dbraw/zinc/09/72/93/547097293.db2.gz LEMXEMGASGQFNN-LBPRGKRZSA-N 1 1 316.427 0.028 50 0 DCAAMO Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000685940323 548746019 /nfs/dbraw/zinc/74/60/19/548746019.db2.gz DPZLZASZQPEREO-ZIAGYGMSSA-N 1 1 322.409 0.835 50 0 DCAAMO Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000685940323 548746024 /nfs/dbraw/zinc/74/60/24/548746024.db2.gz DPZLZASZQPEREO-ZIAGYGMSSA-N 1 1 322.409 0.835 50 0 DCAAMO O[C@H](C[NH2+]CCc1ccccc1)COCCCN1CCOCC1 ZINC000005092974 660910922 /nfs/dbraw/zinc/91/09/22/660910922.db2.gz BPUNQXFFARECOO-GOSISDBHSA-N 1 1 322.449 0.919 50 0 DCAAMO Cn1cncc1C(=O)NC[C@@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000952976585 685600717 /nfs/dbraw/zinc/60/07/17/685600717.db2.gz SPZARRWAIHEDDN-NSHDSACASA-N 1 1 315.381 0.439 50 0 DCAAMO Cc1ncc(CO)c(CNCCC[N@H+]2CCCC[C@H]2CO)c1O ZINC000952976155 685601262 /nfs/dbraw/zinc/60/12/62/685601262.db2.gz QGANRSHMJMAFMD-HNNXBMFYSA-N 1 1 323.437 0.914 50 0 DCAAMO C[NH+](C)C[C@]1(O)CCCN(CC(=O)NCc2ccco2)CC1 ZINC000072135346 685074326 /nfs/dbraw/zinc/07/43/26/685074326.db2.gz RLOHRHQJPSAQDD-INIZCTEOSA-N 1 1 309.410 0.674 50 0 DCAAMO O=C(Cn1ncnn1)N[C@H]1C[N@H+](C2CCCC2)C[C@@H]1C1CC1 ZINC000091713033 685105145 /nfs/dbraw/zinc/10/51/45/685105145.db2.gz AHJIHJBVYPBPHO-KGLIPLIRSA-N 1 1 304.398 0.442 50 0 DCAAMO C[N@H+]1C[C@H]2COC[C@@H]1CN(c1cc(NC3CC3)nc(N)n1)C2 ZINC001704335623 1179977234 /nfs/dbraw/zinc/97/72/34/1179977234.db2.gz CYFZTUVAILCZBF-PWSUYJOCSA-N 1 1 304.398 0.400 50 0 DCAAMO C[N@H+]1CCC[C@]2(CO)CCN(C(=O)c3cccc(N)n3)C[C@@H]12 ZINC001704336196 1179977826 /nfs/dbraw/zinc/97/78/26/1179977826.db2.gz GOVYKGIWOUCEKT-CZUORRHYSA-N 1 1 304.394 0.583 50 0 DCAAMO CCC[N@H+]1CCC[C@H](CNS(=O)(=O)N2CCN(C)CC2)C1 ZINC000822922718 758213529 /nfs/dbraw/zinc/21/35/29/758213529.db2.gz LVPCGJLTVYYVMT-CQSZACIVSA-N 1 1 318.487 0.190 50 0 DCAAMO O=S(=O)(N1CCCC1)N1CCC[N@H+]([C@H]2CCOC2)CC1 ZINC000828388514 759002162 /nfs/dbraw/zinc/00/21/62/759002162.db2.gz GPJISRDFLJPCQI-ZDUSSCGKSA-N 1 1 303.428 0.124 50 0 DCAAMO O=C(N1CCCC1)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000219578287 766270789 /nfs/dbraw/zinc/27/07/89/766270789.db2.gz CSARSXJXNUNNSU-CABCVRRESA-N 1 1 311.426 0.465 50 0 DCAAMO CO[C@@H]1COCC[C@H]1[NH+]1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC000585087952 766275351 /nfs/dbraw/zinc/27/53/51/766275351.db2.gz 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/nfs/dbraw/zinc/15/84/48/185158448.db2.gz KVGQSYRUKWHVKX-MRXNPFEDSA-N 1 1 300.443 0.818 50 0 DCAAMO CC[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000089948587 185270718 /nfs/dbraw/zinc/27/07/18/185270718.db2.gz AHXRKISDTYXSJJ-HUUCEWRRSA-N 1 1 306.410 0.842 50 0 DCAAMO CCCCNC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000089954744 185271836 /nfs/dbraw/zinc/27/18/36/185271836.db2.gz QHVWECKEVFKBEH-AWEZNQCLSA-N 1 1 310.442 0.317 50 0 DCAAMO CC(C)[N@@H+](CCNC(=O)NCCc1nnc2n1CCC2)C1CC1 ZINC000095409936 185356947 /nfs/dbraw/zinc/35/69/47/185356947.db2.gz VBKQFSDGHZDWBY-UHFFFAOYSA-N 1 1 320.441 0.939 50 0 DCAAMO CN(CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C)c1cnccn1 ZINC000069840737 190825831 /nfs/dbraw/zinc/82/58/31/190825831.db2.gz YZZUHGVMQYBOAY-KBPBESRZSA-N 1 1 303.410 0.998 50 0 DCAAMO O=C([O-])C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071753619 191023339 /nfs/dbraw/zinc/02/33/39/191023339.db2.gz HMUQJQZMWIOTET-GFCCVEGCSA-N 1 1 309.410 0.526 50 0 DCAAMO 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395852751 /nfs/dbraw/zinc/85/27/51/395852751.db2.gz FQKUZYGYQOZNKM-NSHDSACASA-N 1 1 303.366 0.893 50 0 DCAAMO CN1CCC([N@H+]2CCC[C@H]2C(=O)NCc2cccnc2N)CC1 ZINC000244898929 395926001 /nfs/dbraw/zinc/92/60/01/395926001.db2.gz ZEBXIHNOKHHZBQ-HNNXBMFYSA-N 1 1 317.437 0.839 50 0 DCAAMO CCC[N@H+](CCO)CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000053094427 395876200 /nfs/dbraw/zinc/87/62/00/395876200.db2.gz KUPGNWGSYQEXJG-HNNXBMFYSA-N 1 1 315.458 0.164 50 0 DCAAMO CCC[N@@H+](CCO)CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000053094427 395876204 /nfs/dbraw/zinc/87/62/04/395876204.db2.gz KUPGNWGSYQEXJG-HNNXBMFYSA-N 1 1 315.458 0.164 50 0 DCAAMO c1csc(C[NH+]2CCN(c3ccc4nnnn4n3)CC2)c1 ZINC000057373604 395943592 /nfs/dbraw/zinc/94/35/92/395943592.db2.gz SAJGDFVCBOLALJ-UHFFFAOYSA-N 1 1 301.379 0.903 50 0 DCAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000248097961 395982412 /nfs/dbraw/zinc/98/24/12/395982412.db2.gz DHQCJGRQXRNXMQ-YNEHKIRRSA-N 1 1 300.424 0.506 50 0 DCAAMO CCCN1C(=O)N[C@@H](CC(=O)NCCn2cc[nH+]c2C)C1=O ZINC000252510305 396022646 /nfs/dbraw/zinc/02/26/46/396022646.db2.gz ZGOIBSSPZKPDQQ-NSHDSACASA-N 1 1 307.354 0.028 50 0 DCAAMO Cn1cc(C[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)cn1 ZINC000252666096 396023867 /nfs/dbraw/zinc/02/38/67/396023867.db2.gz AMIZPUJHOSIBPB-UKRRQHHQSA-N 1 1 306.410 0.580 50 0 DCAAMO COC[C@@H]1C[N@@H+](Cc2cc(C)nn2C)C[C@H]1C(=O)NC1CC1 ZINC000253409597 396026720 /nfs/dbraw/zinc/02/67/20/396026720.db2.gz MBVRNBNEWLKKIZ-SWLSCSKDSA-N 1 1 306.410 0.702 50 0 DCAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2OC)C[C@H]1CO ZINC000253410865 396026787 /nfs/dbraw/zinc/02/67/87/396026787.db2.gz NWQFJYUJSZILAL-UONOGXRCSA-N 1 1 308.378 0.251 50 0 DCAAMO Cc1ccc2cc(CN3CC[N@H+](C)[C@H](CO)C3)c(=O)[nH]c2c1 ZINC000067654591 396030217 /nfs/dbraw/zinc/03/02/17/396030217.db2.gz KPBCHAPWKOMLRV-HNNXBMFYSA-N 1 1 301.390 0.945 50 0 DCAAMO Cc1ccc2cc(C[N@H+]3CCN(C)[C@H](CO)C3)c(=O)[nH]c2c1 ZINC000067654591 396030220 /nfs/dbraw/zinc/03/02/20/396030220.db2.gz 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ZINC000069744538 396089624 /nfs/dbraw/zinc/08/96/24/396089624.db2.gz GSKCWDFLEPTXFX-AWEZNQCLSA-N 1 1 318.421 0.888 50 0 DCAAMO O=C(NC1CC1)[C@H](c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000069778013 396090320 /nfs/dbraw/zinc/09/03/20/396090320.db2.gz UMPMCTISIMDQSE-INIZCTEOSA-N 1 1 303.406 0.616 50 0 DCAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2C1=O ZINC000169751577 396090989 /nfs/dbraw/zinc/09/09/89/396090989.db2.gz JRXCSQMGYWYXAN-OKILXGFUSA-N 1 1 306.337 0.889 50 0 DCAAMO COCC[N@@H+]1CCN(CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1C ZINC000069842174 396092068 /nfs/dbraw/zinc/09/20/68/396092068.db2.gz BBGRFXCMALCSOT-AWEZNQCLSA-N 1 1 323.441 0.031 50 0 DCAAMO COCC[N@H+]1CCN(CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1C ZINC000069842174 396092072 /nfs/dbraw/zinc/09/20/72/396092072.db2.gz BBGRFXCMALCSOT-AWEZNQCLSA-N 1 1 323.441 0.031 50 0 DCAAMO COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000069923800 396095734 /nfs/dbraw/zinc/09/57/34/396095734.db2.gz MFINMSJDDOZXDT-CHWSQXEVSA-N 1 1 312.414 0.999 50 0 DCAAMO O=C(CC[N@@H+]1CCO[C@@H](Cn2cncn2)C1)N1CCCCC1 ZINC000069969881 396096569 /nfs/dbraw/zinc/09/65/69/396096569.db2.gz GBTSRJZWTCXTFL-CQSZACIVSA-N 1 1 307.398 0.382 50 0 DCAAMO O=C(CC[N@H+]1CCO[C@@H](Cn2cncn2)C1)N1CCCCC1 ZINC000069969881 396096571 /nfs/dbraw/zinc/09/65/71/396096571.db2.gz GBTSRJZWTCXTFL-CQSZACIVSA-N 1 1 307.398 0.382 50 0 DCAAMO Cc1cnn(C[C@H]2CCC[N@H+]2C[C@H](O)CN2CCOCC2)c1 ZINC000069950463 396096577 /nfs/dbraw/zinc/09/65/77/396096577.db2.gz WIKZCLBNBZWWCH-HZPDHXFCSA-N 1 1 308.426 0.349 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000070007068 396096945 /nfs/dbraw/zinc/09/69/45/396096945.db2.gz DJADMYTUIGLAFZ-AWEZNQCLSA-N 1 1 306.410 0.676 50 0 DCAAMO Cc1[nH][nH]c(=O)c1CC(=O)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000071278878 396111952 /nfs/dbraw/zinc/11/19/52/396111952.db2.gz WWGSIEQRACRPHV-UHFFFAOYSA-N 1 1 322.409 0.727 50 0 DCAAMO CC(=O)[C@@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]2C=C[C@H]3C=CC=C[C@@H]3[N@H+]21 ZINC000071776050 396114595 /nfs/dbraw/zinc/11/45/95/396114595.db2.gz SAATWYPBUIMNRC-ZPVXKQQTSA-N 1 1 313.353 0.865 50 0 DCAAMO COCCc1noc(C[NH2+]C[C@@H]2CCCN2c2cccnn2)n1 ZINC000071859941 396119589 /nfs/dbraw/zinc/11/95/89/396119589.db2.gz ZZZXKYBNJYMKCG-LBPRGKRZSA-N 1 1 318.381 0.807 50 0 DCAAMO CC(C)[N@H+]1CC[C@@H](NCc2cnc(N3CCOCC3)nc2)C1 ZINC000071857580 396119862 /nfs/dbraw/zinc/11/98/62/396119862.db2.gz UVELYIHMRSHUMV-OAHLLOKOSA-N 1 1 305.426 0.886 50 0 DCAAMO CC(C)N1CC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)nc2)C1 ZINC000071857580 396119865 /nfs/dbraw/zinc/11/98/65/396119865.db2.gz UVELYIHMRSHUMV-OAHLLOKOSA-N 1 1 305.426 0.886 50 0 DCAAMO COc1ccc(COCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000071871309 396120115 /nfs/dbraw/zinc/12/01/15/396120115.db2.gz ZDTWEALURGQTMO-CQSZACIVSA-N 1 1 322.405 0.737 50 0 DCAAMO O=C(C[N@@H+]1CCCC[C@H]1Cn1cncn1)NCc1ccccn1 ZINC000071876443 396121481 /nfs/dbraw/zinc/12/14/81/396121481.db2.gz WFBYWDMBSNXJJI-HNNXBMFYSA-N 1 1 314.393 0.844 50 0 DCAAMO O=C(C[N@H+]1CCCC[C@H]1Cn1cncn1)NCc1ccccn1 ZINC000071876443 396121486 /nfs/dbraw/zinc/12/14/86/396121486.db2.gz WFBYWDMBSNXJJI-HNNXBMFYSA-N 1 1 314.393 0.844 50 0 DCAAMO Nc1ncc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)s1 ZINC000261885197 396075823 /nfs/dbraw/zinc/07/58/23/396075823.db2.gz RUOSZIDGTPLQCW-LLVKDONJSA-N 1 1 310.423 0.796 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)NC2CCOCC2)n1 ZINC000069521575 396081995 /nfs/dbraw/zinc/08/19/95/396081995.db2.gz CZRKFOKSUHELBC-HNNXBMFYSA-N 1 1 321.425 0.655 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)NC2CCOCC2)n1 ZINC000069521575 396081997 /nfs/dbraw/zinc/08/19/97/396081997.db2.gz CZRKFOKSUHELBC-HNNXBMFYSA-N 1 1 321.425 0.655 50 0 DCAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)no1 ZINC000076047286 396193220 /nfs/dbraw/zinc/19/32/20/396193220.db2.gz NYERKXUJCINVLX-KGLIPLIRSA-N 1 1 320.397 0.142 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@H+]([C@@H](C)c3nc(C)no3)C[C@@H]2C)CC1 ZINC000076055558 396194529 /nfs/dbraw/zinc/19/45/29/396194529.db2.gz ZZLMRJKDPZXNCX-SLEUVZQESA-N 1 1 321.425 0.923 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H](C)c3nc(C)no3)C[C@@H]2C)CC1 ZINC000076055558 396194533 /nfs/dbraw/zinc/19/45/33/396194533.db2.gz ZZLMRJKDPZXNCX-SLEUVZQESA-N 1 1 321.425 0.923 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)CC1 ZINC000076055295 396195038 /nfs/dbraw/zinc/19/50/38/396195038.db2.gz UGRHNRTYNZKHCB-IUODEOHRSA-N 1 1 306.410 0.967 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)CC1 ZINC000076055295 396195039 /nfs/dbraw/zinc/19/50/39/396195039.db2.gz UGRHNRTYNZKHCB-IUODEOHRSA-N 1 1 306.410 0.967 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000076055562 396195050 /nfs/dbraw/zinc/19/50/50/396195050.db2.gz DOSFRJLIXYJCDD-SMDDNHRTSA-N 1 1 307.398 0.362 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000076055562 396195052 /nfs/dbraw/zinc/19/50/52/396195052.db2.gz DOSFRJLIXYJCDD-SMDDNHRTSA-N 1 1 307.398 0.362 50 0 DCAAMO C[C@H](C(=O)N1CCCC1)[N@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000076059272 396195953 /nfs/dbraw/zinc/19/59/53/396195953.db2.gz MYCIDNYXIIZUGM-BFQNTYOBSA-N 1 1 322.409 0.307 50 0 DCAAMO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@@H]2C)cc1C(N)=O ZINC000078899124 396257395 /nfs/dbraw/zinc/25/73/95/396257395.db2.gz IXBOUKTXJQXCPC-GWCFXTLKSA-N 1 1 311.407 0.322 50 0 DCAAMO COc1ccc(C[N@H+]2CC[C@]3(CC(=O)NC3=O)C2)c(OC)c1 ZINC000077287842 396217282 /nfs/dbraw/zinc/21/72/82/396217282.db2.gz GSFNSWYYJKTQJH-INIZCTEOSA-N 1 1 304.346 0.942 50 0 DCAAMO O=C(CN1CCC[C@@H](O)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000584886433 396632227 /nfs/dbraw/zinc/63/22/27/396632227.db2.gz XHRJXURXCGQDPD-MRXNPFEDSA-N 1 1 309.454 0.778 50 0 DCAAMO O=C(Cc1ccc(CO)cc1)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000584888897 396633358 /nfs/dbraw/zinc/63/33/58/396633358.db2.gz ORYZFRJVJGXCKP-MRXNPFEDSA-N 1 1 306.406 0.542 50 0 DCAAMO COc1cccc2ncn(C[C@@H]3COCC[N@@H+](C)C3)c(=O)c21 ZINC000584903492 396637029 /nfs/dbraw/zinc/63/70/29/396637029.db2.gz PLAXBDRZQBSKOO-GFCCVEGCSA-N 1 1 303.362 0.983 50 0 DCAAMO O=C(N1CC[NH+](CCCCO)CC1)C1(Cn2ccnc2)CC1 ZINC000584902950 396637298 /nfs/dbraw/zinc/63/72/98/396637298.db2.gz KREJWPIYCCIYST-UHFFFAOYSA-N 1 1 306.410 0.580 50 0 DCAAMO O=S1(=O)CCCN1CC[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000407951747 397333120 /nfs/dbraw/zinc/33/31/20/397333120.db2.gz SYDTXNHNGYEBAZ-SNVBAGLBSA-N 1 1 316.345 0.411 50 0 DCAAMO O=S1(=O)CCCN1CC[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000407951747 397333124 /nfs/dbraw/zinc/33/31/24/397333124.db2.gz SYDTXNHNGYEBAZ-SNVBAGLBSA-N 1 1 316.345 0.411 50 0 DCAAMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000032652116 287293766 /nfs/dbraw/zinc/29/37/66/287293766.db2.gz XOQYSMOFFFWRRK-YPMHNXCESA-N 1 1 324.425 0.588 50 0 DCAAMO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000027342865 415167270 /nfs/dbraw/zinc/16/72/70/415167270.db2.gz WHHCOXWZKLQYLT-JTQLQIEISA-N 1 1 311.382 0.638 50 0 DCAAMO COc1ccnc(N2CCC[N@H+](CC(=O)NC(C)C)CC2)n1 ZINC000026706249 415167992 /nfs/dbraw/zinc/16/79/92/415167992.db2.gz VFOFBTPQRHCMMU-UHFFFAOYSA-N 1 1 307.398 0.522 50 0 DCAAMO COc1ccnc(N2CCC[N@@H+](CC(=O)NC(C)C)CC2)n1 ZINC000026706249 415168002 /nfs/dbraw/zinc/16/80/02/415168002.db2.gz VFOFBTPQRHCMMU-UHFFFAOYSA-N 1 1 307.398 0.522 50 0 DCAAMO CC(C)[C@H](CNC(=O)C1=NN(C)C(=O)CC1)[NH+]1CCOCC1 ZINC000042029030 415207066 /nfs/dbraw/zinc/20/70/66/415207066.db2.gz SXQVNVNVBVVECN-ZDUSSCGKSA-N 1 1 310.398 0.068 50 0 DCAAMO C[NH+]1CCC(N(Cc2ccncc2)C(=O)[C@H]2CNCCO2)CC1 ZINC000072411293 415414087 /nfs/dbraw/zinc/41/40/87/415414087.db2.gz NUBRMTQOMHQNRI-MRXNPFEDSA-N 1 1 318.421 0.493 50 0 DCAAMO CC(C)[N@@H+]1CCCn2nc(C(=O)N[C@@H](C)C(=O)N(C)C)cc2C1 ZINC000067587025 415378477 /nfs/dbraw/zinc/37/84/77/415378477.db2.gz BULJESZLEYYGEX-LBPRGKRZSA-N 1 1 321.425 0.704 50 0 DCAAMO CC(C)[N@H+]1CCCn2nc(C(=O)N[C@@H](C)C(=O)N(C)C)cc2C1 ZINC000067587025 415378487 /nfs/dbraw/zinc/37/84/87/415378487.db2.gz BULJESZLEYYGEX-LBPRGKRZSA-N 1 1 321.425 0.704 50 0 DCAAMO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000067785834 415384985 /nfs/dbraw/zinc/38/49/85/415384985.db2.gz GSFYTFKRMPATIG-FZMZJTMJSA-N 1 1 319.384 0.782 50 0 DCAAMO CC(C)[N@@H+]1CCCn2nc(C(=O)N[C@H]3CCN(C)C3=O)cc2C1 ZINC000067726955 415387394 /nfs/dbraw/zinc/38/73/94/415387394.db2.gz FTTLDNUFGHGPFM-ZDUSSCGKSA-N 1 1 319.409 0.458 50 0 DCAAMO CC(C)[N@H+]1CCCn2nc(C(=O)N[C@H]3CCN(C)C3=O)cc2C1 ZINC000067726955 415387399 /nfs/dbraw/zinc/38/73/99/415387399.db2.gz FTTLDNUFGHGPFM-ZDUSSCGKSA-N 1 1 319.409 0.458 50 0 DCAAMO C[S@](=O)c1ncn(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000095438964 415557601 /nfs/dbraw/zinc/55/76/01/415557601.db2.gz PJNMZXWRXJMYEX-RCDICMHDSA-N 1 1 320.418 0.435 50 0 DCAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1 ZINC000095380988 415559541 /nfs/dbraw/zinc/55/95/41/415559541.db2.gz ULXBMDWUTPRFJN-LLVKDONJSA-N 1 1 307.398 0.131 50 0 DCAAMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1cn(CC(=O)OC)nn1 ZINC000095943928 415563746 /nfs/dbraw/zinc/56/37/46/415563746.db2.gz MWVVTGBHYBCCMR-AAEUAGOBSA-N 1 1 324.381 0.930 50 0 DCAAMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1cn(CC(=O)OC)nn1 ZINC000095943928 415563758 /nfs/dbraw/zinc/56/37/58/415563758.db2.gz MWVVTGBHYBCCMR-AAEUAGOBSA-N 1 1 324.381 0.930 50 0 DCAAMO O=C(NCCc1cccnc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000106838834 415647815 /nfs/dbraw/zinc/64/78/15/415647815.db2.gz LLAUBHNATRJRIJ-LSDHHAIUSA-N 1 1 304.394 0.787 50 0 DCAAMO COC(=O)[C@H]1C[C@@H]([NH+]2CCN(c3ccccn3)CC2)[C@@H](O)C1 ZINC000107070841 415659255 /nfs/dbraw/zinc/65/92/55/415659255.db2.gz NUWLGYXSMBDISC-MJBXVCDLSA-N 1 1 305.378 0.516 50 0 DCAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000107581179 415669394 /nfs/dbraw/zinc/66/93/94/415669394.db2.gz NOAPFZALBRECLN-HIFRSBDPSA-N 1 1 314.393 0.619 50 0 DCAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000107581179 415669397 /nfs/dbraw/zinc/66/93/97/415669397.db2.gz NOAPFZALBRECLN-HIFRSBDPSA-N 1 1 314.393 0.619 50 0 DCAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)c3cn[nH]n3)cc2C1 ZINC000299800671 416071649 /nfs/dbraw/zinc/07/16/49/416071649.db2.gz USORTCZBXDJPHF-UHFFFAOYSA-N 1 1 317.397 0.793 50 0 DCAAMO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)c3cnn[nH]3)cc2C1 ZINC000299800671 416071652 /nfs/dbraw/zinc/07/16/52/416071652.db2.gz USORTCZBXDJPHF-UHFFFAOYSA-N 1 1 317.397 0.793 50 0 DCAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)c3cnn[nH]3)cc2C1 ZINC000299800671 416071656 /nfs/dbraw/zinc/07/16/56/416071656.db2.gz USORTCZBXDJPHF-UHFFFAOYSA-N 1 1 317.397 0.793 50 0 DCAAMO O=C(NC[C@H]1CCC[N@H+](CCO)C1)c1cccn2cnnc12 ZINC000299801977 416071760 /nfs/dbraw/zinc/07/17/60/416071760.db2.gz ZNHYSQKUUFNWJJ-GFCCVEGCSA-N 1 1 303.366 0.163 50 0 DCAAMO C[C@@H](CCc1ccccc1)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000170591823 416026859 /nfs/dbraw/zinc/02/68/59/416026859.db2.gz NFBJQXGKRMJKOT-GOEBONIOSA-N 1 1 315.417 0.898 50 0 DCAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ncc(F)cn2)CC1 ZINC000301760819 416092368 /nfs/dbraw/zinc/09/23/68/416092368.db2.gz GABZHNCRLDIDBM-UHFFFAOYSA-N 1 1 309.389 0.996 50 0 DCAAMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ncc(F)cn2)CC1 ZINC000301760819 416092369 /nfs/dbraw/zinc/09/23/69/416092369.db2.gz GABZHNCRLDIDBM-UHFFFAOYSA-N 1 1 309.389 0.996 50 0 DCAAMO Cc1ccc(CN(C)C(=O)CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)o1 ZINC000242339235 416330392 /nfs/dbraw/zinc/33/03/92/416330392.db2.gz ZGCXNPHCLQVQAT-KGLIPLIRSA-N 1 1 323.437 0.933 50 0 DCAAMO C[N@@H+](CCn1cc[nH]c1=O)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000244691621 416330860 /nfs/dbraw/zinc/33/08/60/416330860.db2.gz JGCJTKIPHACURM-CYBMUJFWSA-N 1 1 306.410 0.899 50 0 DCAAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1cc(=O)n2cccc(O)c2n1 ZINC000244691839 416330991 /nfs/dbraw/zinc/33/09/91/416330991.db2.gz JJZRDWFGRNPHER-SNVBAGLBSA-N 1 1 304.350 0.357 50 0 DCAAMO CCc1cc(NCCN2CC[NH2+]CC2)nc(N2CCCC2)n1 ZINC000534585519 416506817 /nfs/dbraw/zinc/50/68/17/416506817.db2.gz OPEFRTCOENONNL-UHFFFAOYSA-N 1 1 304.442 0.956 50 0 DCAAMO C[N@@H+]1CCOC[C@H]2CCN(S(=O)(=O)c3cccnc3)C[C@H]21 ZINC000575543414 417539959 /nfs/dbraw/zinc/53/99/59/417539959.db2.gz 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O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cn[nH]n1 ZINC000183392487 659174217 /nfs/dbraw/zinc/17/42/17/659174217.db2.gz DJMNMVSZPUAPPA-CYBMUJFWSA-N 1 1 301.350 0.301 50 0 DCAAMO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cnn[nH]1 ZINC000183392487 659174218 /nfs/dbraw/zinc/17/42/18/659174218.db2.gz DJMNMVSZPUAPPA-CYBMUJFWSA-N 1 1 301.350 0.301 50 0 DCAAMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cnn[nH]1 ZINC000183392487 659174221 /nfs/dbraw/zinc/17/42/21/659174221.db2.gz DJMNMVSZPUAPPA-CYBMUJFWSA-N 1 1 301.350 0.301 50 0 DCAAMO Nc1ccncc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261743995 661606558 /nfs/dbraw/zinc/60/65/58/661606558.db2.gz DVIFHVSDMGRTJM-LLVKDONJSA-N 1 1 317.315 0.230 50 0 DCAAMO Cc1cc(C)nc(CCNC(=O)[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000426647395 661688638 /nfs/dbraw/zinc/68/86/38/661688638.db2.gz WEPGJMBMZIZFPI-AWEZNQCLSA-N 1 1 305.426 0.388 50 0 DCAAMO COCCCn1cnnc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C1 ZINC000426700118 661695970 /nfs/dbraw/zinc/69/59/70/661695970.db2.gz 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ZINC000823107067 758224142 /nfs/dbraw/zinc/22/41/42/758224142.db2.gz PFYXWUNVFXRRAR-OAHLLOKOSA-N 1 1 307.442 0.373 50 0 DCAAMO CCN1CCC([N@H+]2CCN(Cc3ncc[nH]3)C[C@@H](O)C2)CC1 ZINC000823107067 758224153 /nfs/dbraw/zinc/22/41/53/758224153.db2.gz PFYXWUNVFXRRAR-OAHLLOKOSA-N 1 1 307.442 0.373 50 0 DCAAMO CC[NH+]1CCN(C2CCN(C(=O)c3c(C)ncn3C)CC2)CC1 ZINC000823112827 758225300 /nfs/dbraw/zinc/22/53/00/758225300.db2.gz ILTIVLWGCQXSDV-UHFFFAOYSA-N 1 1 319.453 0.971 50 0 DCAAMO Cc1nc(N)sc1CC(=O)NCCC[N@H+]1CCC[C@@H](O)C1 ZINC000828627398 759048673 /nfs/dbraw/zinc/04/86/73/759048673.db2.gz MOGBQTUVPHJDEA-LLVKDONJSA-N 1 1 312.439 0.539 50 0 DCAAMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000585121116 766286545 /nfs/dbraw/zinc/28/65/45/766286545.db2.gz GLBREAZSHWFBRJ-CPUCHLNUSA-N 1 1 323.437 0.206 50 0 DCAAMO COc1cccnc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000952884304 768952828 /nfs/dbraw/zinc/95/28/28/768952828.db2.gz XHLHZKUCSLWLCT-VXGBXAGGSA-N 1 1 307.398 0.846 50 0 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1 300.428 0.928 50 0 DCAAMO Cc1nnnn1CCC[N@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000072145283 191051904 /nfs/dbraw/zinc/05/19/04/191051904.db2.gz GKXQRLQBKPQNDI-INIZCTEOSA-N 1 1 322.457 0.948 50 0 DCAAMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)nc(N(C)C)n1 ZINC000072241199 191084867 /nfs/dbraw/zinc/08/48/67/191084867.db2.gz RCIXFHUMPYAHBV-UHFFFAOYSA-N 1 1 307.398 0.303 50 0 DCAAMO C[C@@H]1CN(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000072277738 191099191 /nfs/dbraw/zinc/09/91/91/191099191.db2.gz MEYHITQDBLVGPT-JHJVBQTASA-N 1 1 303.428 0.120 50 0 DCAAMO NC(=O)NCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072426951 191161911 /nfs/dbraw/zinc/16/19/11/191161911.db2.gz NSNPSTHTGNJXGU-UHFFFAOYSA-N 1 1 316.405 0.704 50 0 DCAAMO Nc1nc(CCCNC(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)cs1 ZINC000072476889 191178824 /nfs/dbraw/zinc/17/88/24/191178824.db2.gz VQPMGCJGWLMXSE-LLVKDONJSA-N 1 1 306.395 0.384 50 0 DCAAMO C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000002442815 180924081 /nfs/dbraw/zinc/92/40/81/180924081.db2.gz QRMMPFGUQVKAQQ-SNVBAGLBSA-N 1 1 313.361 0.811 50 0 DCAAMO C[C@@H](CNC(=O)C1(O)Cc2ccccc2C1)C[NH+]1CCOCC1 ZINC000081432360 192263758 /nfs/dbraw/zinc/26/37/58/192263758.db2.gz KKSSMKCMGMRLQC-AWEZNQCLSA-N 1 1 318.417 0.601 50 0 DCAAMO COc1ccnc(N2CCN(C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)c1 ZINC000237373432 202246664 /nfs/dbraw/zinc/24/66/64/202246664.db2.gz YRUGMRIPGVXNCC-UONOGXRCSA-N 1 1 304.394 0.866 50 0 DCAAMO Cn1c(CCNC(=O)[C@H]2COCC[NH2+]2)nc2c1cccc2F ZINC000237737429 202342678 /nfs/dbraw/zinc/34/26/78/202342678.db2.gz FHXPMZBZBCJMEM-LLVKDONJSA-N 1 1 306.341 0.360 50 0 DCAAMO Cn1ncnc1CCNC(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000091452601 193058892 /nfs/dbraw/zinc/05/88/92/193058892.db2.gz UFPJNCFHQNBPOW-AWEZNQCLSA-N 1 1 305.357 0.916 50 0 DCAAMO CCc1nc(C)sc1CNC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000091562969 193073491 /nfs/dbraw/zinc/07/34/91/193073491.db2.gz UJRWROFEDAUCMC-NSHDSACASA-N 1 1 324.450 0.827 50 0 DCAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@@H]1CO ZINC000091645954 193084873 /nfs/dbraw/zinc/08/48/73/193084873.db2.gz RSRBJNCWFWDLBI-HUUCEWRRSA-N 1 1 324.396 0.359 50 0 DCAAMO C[N@@H+](CCO)C[C@@H]1CN(Cc2cccc(F)c2F)C[C@@H]1CO ZINC000092081432 193154607 /nfs/dbraw/zinc/15/46/07/193154607.db2.gz FQUWBDKPJKSOKG-ZIAGYGMSSA-N 1 1 314.376 0.929 50 0 DCAAMO COc1nccnc1N1C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C1 ZINC000092098908 193158818 /nfs/dbraw/zinc/15/88/18/193158818.db2.gz PJBKVDXHIHOSML-ZIAGYGMSSA-N 1 1 323.441 0.023 50 0 DCAAMO COc1nccnc1N1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000092098908 193158820 /nfs/dbraw/zinc/15/88/20/193158820.db2.gz PJBKVDXHIHOSML-ZIAGYGMSSA-N 1 1 323.441 0.023 50 0 DCAAMO C[NH+]1CCN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000016624602 182053928 /nfs/dbraw/zinc/05/39/28/182053928.db2.gz UNFNGAODJTVAFN-STQMWFEESA-N 1 1 305.378 0.102 50 0 DCAAMO NC(=S)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000019361202 182119312 /nfs/dbraw/zinc/11/93/12/182119312.db2.gz PXQXNAPPHFOWAW-UGWHAMFMSA-N 1 1 302.447 0.387 50 0 DCAAMO CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCNCCO)cc1 ZINC000019691209 182137220 /nfs/dbraw/zinc/13/72/20/182137220.db2.gz CKKZCQLMLYDSAM-UHFFFAOYSA-N 1 1 323.437 0.652 50 0 DCAAMO COc1ccc(-c2noc(CN3CC[NH+](CCO)CC3)n2)cc1 ZINC000019836478 182155038 /nfs/dbraw/zinc/15/50/38/182155038.db2.gz UCLUXPCCFMEBGU-UHFFFAOYSA-N 1 1 318.377 0.855 50 0 DCAAMO COC(=O)C[C@@H](C(=O)OC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019891480 182160965 /nfs/dbraw/zinc/16/09/65/182160965.db2.gz RRXNDDWYFLJWDW-HNNXBMFYSA-N 1 1 320.389 0.909 50 0 DCAAMO COc1ccc(N2C(=O)C[C@@H](N3CCC[N@@H+](C)CC3)C2=O)cc1 ZINC000020149185 182192293 /nfs/dbraw/zinc/19/22/93/182192293.db2.gz NEAUJCOVLBYBAZ-OAHLLOKOSA-N 1 1 317.389 0.965 50 0 DCAAMO O=C([O-])[C@@H]1CC2(C[NH2+]1)CCN(c1[nH+]cnc3[nH]ccc31)CC2 ZINC000072440082 284448195 /nfs/dbraw/zinc/44/81/95/284448195.db2.gz GHYXCGTXXSOWMI-NSHDSACASA-N 1 1 301.350 0.991 50 0 DCAAMO CC(C)[C@@H](CNc1ccc2nnnn2n1)N1CC[NH+](C)CC1 ZINC000022917167 182340832 /nfs/dbraw/zinc/34/08/32/182340832.db2.gz ZLDHEKHCFVTCCK-GFCCVEGCSA-N 1 1 304.402 0.203 50 0 DCAAMO CN1CCN2CC[N@H+](Cc3ccc4c(c3)CCO4)C[C@H]2C1=O ZINC000106256009 194192332 /nfs/dbraw/zinc/19/23/32/194192332.db2.gz OQGGVSUYDQBUIJ-HNNXBMFYSA-N 1 1 301.390 0.580 50 0 DCAAMO CN1CCN2CC[N@@H+](Cc3ccc4c(c3)CCO4)C[C@H]2C1=O ZINC000106256009 194192334 /nfs/dbraw/zinc/19/23/34/194192334.db2.gz OQGGVSUYDQBUIJ-HNNXBMFYSA-N 1 1 301.390 0.580 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@H]1CO)N[C@@H]1CCN(c2ccccn2)C1 ZINC000110709186 194353117 /nfs/dbraw/zinc/35/31/17/194353117.db2.gz CHBMRFXNZJXXBH-KGLIPLIRSA-N 1 1 304.394 0.233 50 0 DCAAMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccnn1C1CCCC1 ZINC000058028907 184069739 /nfs/dbraw/zinc/06/97/39/184069739.db2.gz HAWIPSUBXLFVAQ-UHFFFAOYSA-N 1 1 321.425 0.547 50 0 DCAAMO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[NH+](CCO)CC1 ZINC000058013774 184067400 /nfs/dbraw/zinc/06/74/00/184067400.db2.gz OQGWZROLCSPWBZ-AWEZNQCLSA-N 1 1 323.412 0.783 50 0 DCAAMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2occc2C)CC1 ZINC000058203551 184087409 /nfs/dbraw/zinc/08/74/09/184087409.db2.gz IVCKEJSFEFVTFO-UHFFFAOYSA-N 1 1 322.365 0.238 50 0 DCAAMO COc1ccnc(N2CCC[N@@H+](CCC(=O)N(C)C)CC2)n1 ZINC000060340049 184146431 /nfs/dbraw/zinc/14/64/31/184146431.db2.gz WGHQJUHQDPEWKC-UHFFFAOYSA-N 1 1 307.398 0.476 50 0 DCAAMO CCCOCC[NH+]1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC000065374275 184331649 /nfs/dbraw/zinc/33/16/49/184331649.db2.gz FNYRSSXZCWMYAA-UHFFFAOYSA-N 1 1 307.394 0.570 50 0 DCAAMO O=C(c1cc2n(n1)CC[NH2+]C2)N1CCC[C@@H]1Cn1cccn1 ZINC000065494239 184355023 /nfs/dbraw/zinc/35/50/23/184355023.db2.gz ZZMXSIJJCXRMNU-GFCCVEGCSA-N 1 1 300.366 0.488 50 0 DCAAMO C[N@@H+]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H](c2ccccc2)C1 ZINC000065518200 184358587 /nfs/dbraw/zinc/35/85/87/184358587.db2.gz ROHQKIMXDCUELY-CYBMUJFWSA-N 1 1 316.361 0.054 50 0 DCAAMO C[N@H+]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H](c2ccccc2)C1 ZINC000065518200 184358588 /nfs/dbraw/zinc/35/85/88/184358588.db2.gz ROHQKIMXDCUELY-CYBMUJFWSA-N 1 1 316.361 0.054 50 0 DCAAMO [NH3+]CCCOc1ccc(C(=O)NCCc2nn[nH]n2)cc1Cl ZINC000426727560 257243537 /nfs/dbraw/zinc/24/35/37/257243537.db2.gz WQMZMOFYCIAMES-UHFFFAOYSA-N 1 1 324.772 0.553 50 0 DCAAMO Cc1nncn1CC[N@H+]1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426541255 257247270 /nfs/dbraw/zinc/24/72/70/257247270.db2.gz JKOVQJDDULXKDR-AWEZNQCLSA-N 1 1 304.398 0.655 50 0 DCAAMO [NH3+][C@@H]1CCN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@H]1O ZINC000426419661 257251575 /nfs/dbraw/zinc/25/15/75/257251575.db2.gz BZOFMUVUSXJAEX-HUUCEWRRSA-N 1 1 307.394 0.412 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCNc1ncnc2nc[nH]c21 ZINC000012322611 395687543 /nfs/dbraw/zinc/68/75/43/395687543.db2.gz RCTADCSJXGLJEM-LLVKDONJSA-N 1 1 317.397 0.755 50 0 DCAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNc1ncnc2[nH]cnc21 ZINC000012322611 395687544 /nfs/dbraw/zinc/68/75/44/395687544.db2.gz RCTADCSJXGLJEM-LLVKDONJSA-N 1 1 317.397 0.755 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCNc1ncnc2[nH]cnc21 ZINC000012322611 395687545 /nfs/dbraw/zinc/68/75/45/395687545.db2.gz RCTADCSJXGLJEM-LLVKDONJSA-N 1 1 317.397 0.755 50 0 DCAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000000100357 395679816 /nfs/dbraw/zinc/67/98/16/395679816.db2.gz GZMLXNCOTWDBHK-ZDUSSCGKSA-N 1 1 301.346 0.516 50 0 DCAAMO C[NH+]1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 ZINC000030861204 395704807 /nfs/dbraw/zinc/70/48/07/395704807.db2.gz PRVUXNLZPILCKY-UHFFFAOYSA-N 1 1 303.406 0.906 50 0 DCAAMO CC(C)[C@H](CNC(=O)N[C@H](C)Cn1cccn1)[NH+]1CCOCC1 ZINC000089791348 395715391 /nfs/dbraw/zinc/71/53/91/395715391.db2.gz POBVHRFGPVJFOH-CABCVRRESA-N 1 1 323.441 0.928 50 0 DCAAMO c1ncn(CC[N@H+]2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000089835004 395715965 /nfs/dbraw/zinc/71/59/65/395715965.db2.gz UWYDCLQLZWCBLW-IRXDYDNUSA-N 1 1 313.405 0.863 50 0 DCAAMO C[C@H](CNC(=O)Cn1cnnn1)[N@H+]1CCc2ccccc2C1 ZINC000089900770 395716230 /nfs/dbraw/zinc/71/62/30/395716230.db2.gz SNQYFXBZOBDZBN-GFCCVEGCSA-N 1 1 300.366 0.236 50 0 DCAAMO C=CCN1C(=O)NC(=O)C(=C(CC)NCC[NH+](CC)CC)C1=O ZINC000033938093 395717660 /nfs/dbraw/zinc/71/76/60/395717660.db2.gz ZQYCXXUIVBWWQN-OUKQBFOZSA-N 1 1 322.409 0.846 50 0 DCAAMO COc1cc2[nH+]c(N(C)CCCNC=O)nc(N)c2cc1OC ZINC000034963992 395718484 /nfs/dbraw/zinc/71/84/84/395718484.db2.gz FWNCTLUUKXETML-UHFFFAOYSA-N 1 1 319.365 0.802 50 0 in-vitro DCAAMO C[NH+]1CCN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000028901026 395696440 /nfs/dbraw/zinc/69/64/40/395696440.db2.gz MRIDFMFTRJZBLX-UHFFFAOYSA-N 1 1 311.407 0.276 50 0 DCAAMO Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@@H]2CSC[NH2+]2)c1C ZINC000037017631 395725566 /nfs/dbraw/zinc/72/55/66/395725566.db2.gz HMSULSGDDYWSLQ-NSHDSACASA-N 1 1 315.420 0.552 50 0 DCAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000095402288 395740576 /nfs/dbraw/zinc/74/05/76/395740576.db2.gz QFXWUFJWRYLDLK-STQMWFEESA-N 1 1 319.409 0.684 50 0 DCAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000095402288 395740577 /nfs/dbraw/zinc/74/05/77/395740577.db2.gz QFXWUFJWRYLDLK-STQMWFEESA-N 1 1 319.409 0.684 50 0 DCAAMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cnn(C)c1 ZINC000096433875 395753475 /nfs/dbraw/zinc/75/34/75/395753475.db2.gz NRMPHSUJRYIEHJ-UHFFFAOYSA-N 1 1 308.430 0.910 50 0 DCAAMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cnn(C)c1 ZINC000096433875 395753477 /nfs/dbraw/zinc/75/34/77/395753477.db2.gz NRMPHSUJRYIEHJ-UHFFFAOYSA-N 1 1 308.430 0.910 50 0 DCAAMO C[C@@H]1C[NH+](C[C@@H](O)CN2CCc3c(ncn3C)C2)C[C@@H](C)O1 ZINC000106666419 395783877 /nfs/dbraw/zinc/78/38/77/395783877.db2.gz HKACZSQHNXZJHZ-MCIONIFRSA-N 1 1 308.426 0.248 50 0 DCAAMO O[C@H](COCc1ccco1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000044866866 395759180 /nfs/dbraw/zinc/75/91/80/395759180.db2.gz AIWYGMJQPQWPFT-AWEZNQCLSA-N 1 1 318.377 0.769 50 0 DCAAMO Cc1ccc(C)c(CC(=O)N2CC[N@@H+](CCO)C[C@H](O)C2)c1 ZINC000097797196 395760925 /nfs/dbraw/zinc/76/09/25/395760925.db2.gz LRGGCODMYJQVCP-INIZCTEOSA-N 1 1 306.406 0.343 50 0 DCAAMO C[N@H+]1[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12 ZINC000100068371 395762539 /nfs/dbraw/zinc/76/25/39/395762539.db2.gz STECJAGHUSJQJN-AQGHMYMLSA-N 1 1 303.358 0.918 50 0 in-man DCAAMO C[N@@H+]1[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12 ZINC000100068371 395762543 /nfs/dbraw/zinc/76/25/43/395762543.db2.gz STECJAGHUSJQJN-AQGHMYMLSA-N 1 1 303.358 0.918 50 0 in-man DCAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CCNC(=O)C2)C[C@H](C)O1 ZINC000225422136 395860052 /nfs/dbraw/zinc/86/00/52/395860052.db2.gz OXVCBCGUTDQNRF-XQQFMLRXSA-N 1 1 311.426 0.517 50 0 DCAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCNC(=O)C2)C[C@H](C)O1 ZINC000225422136 395860056 /nfs/dbraw/zinc/86/00/56/395860056.db2.gz OXVCBCGUTDQNRF-XQQFMLRXSA-N 1 1 311.426 0.517 50 0 DCAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)c2cnc(N)nc2C)C1 ZINC000223249292 395853972 /nfs/dbraw/zinc/85/39/72/395853972.db2.gz DOHMKJRWQYTACC-LBPRGKRZSA-N 1 1 307.398 0.455 50 0 DCAAMO O=C([C@@H](c1ccccc1)[N@@H+]1CCNC(=O)CC1)N1CCOCC1 ZINC000054258541 395896056 /nfs/dbraw/zinc/89/60/56/395896056.db2.gz BATCVMHHXURODR-MRXNPFEDSA-N 1 1 317.389 0.408 50 0 DCAAMO O=C([C@@H](c1ccccc1)[N@H+]1CCNC(=O)CC1)N1CCOCC1 ZINC000054258541 395896061 /nfs/dbraw/zinc/89/60/61/395896061.db2.gz BATCVMHHXURODR-MRXNPFEDSA-N 1 1 317.389 0.408 50 0 DCAAMO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCOCC3)C2)n1 ZINC000054677346 395904771 /nfs/dbraw/zinc/90/47/71/395904771.db2.gz VSLXECMFJVIODN-WCQYABFASA-N 1 1 308.382 0.805 50 0 DCAAMO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N3CCOCC3)C2)n1 ZINC000054677346 395904775 /nfs/dbraw/zinc/90/47/75/395904775.db2.gz VSLXECMFJVIODN-WCQYABFASA-N 1 1 308.382 0.805 50 0 DCAAMO C[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCCC[C@H]1C ZINC000242273820 395923871 /nfs/dbraw/zinc/92/38/71/395923871.db2.gz YGBVPAKDEUUOHY-JHJVBQTASA-N 1 1 317.455 0.736 50 0 DCAAMO CN(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000244787959 395925411 /nfs/dbraw/zinc/92/54/11/395925411.db2.gz QGZCAJKLSPSJEY-GFCCVEGCSA-N 1 1 317.393 0.821 50 0 DCAAMO CN(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000244787959 395925412 /nfs/dbraw/zinc/92/54/12/395925412.db2.gz QGZCAJKLSPSJEY-GFCCVEGCSA-N 1 1 317.393 0.821 50 0 DCAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)C[C@@H](C)O1 ZINC000229476327 395874876 /nfs/dbraw/zinc/87/48/76/395874876.db2.gz LNZZAZUYWLYDNH-RBSFLKMASA-N 1 1 321.425 0.626 50 0 DCAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2C[C@@H](O)CN2CCOCC2)n1 ZINC000229554658 395875807 /nfs/dbraw/zinc/87/58/07/395875807.db2.gz GTBRSHRDAPJTIE-IRXDYDNUSA-N 1 1 322.453 0.657 50 0 DCAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)Nc1cc[nH]n1 ZINC000229999430 395876136 /nfs/dbraw/zinc/87/61/36/395876136.db2.gz FMOHRHZYUWIUEQ-NEPJUHHUSA-N 1 1 305.382 0.729 50 0 DCAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)C[C@H]1CO ZINC000253397748 396026776 /nfs/dbraw/zinc/02/67/76/396026776.db2.gz BPUBDSOTIHBBNK-LSDHHAIUSA-N 1 1 322.405 0.559 50 0 DCAAMO CC(C)c1ncc(C(=O)NCC[N@H+]2CCC[C@@H](CO)C2)c(=O)[nH]1 ZINC000253536699 396030188 /nfs/dbraw/zinc/03/01/88/396030188.db2.gz LHIUYPUUFOWKSS-GFCCVEGCSA-N 1 1 322.409 0.740 50 0 DCAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO)c1cnccn1 ZINC000257185988 396034417 /nfs/dbraw/zinc/03/44/17/396034417.db2.gz JZZNPZKWESQLNX-SWLSCSKDSA-N 1 1 313.361 0.094 50 0 DCAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO)c1cnccn1 ZINC000257185988 396034421 /nfs/dbraw/zinc/03/44/21/396034421.db2.gz JZZNPZKWESQLNX-SWLSCSKDSA-N 1 1 313.361 0.094 50 0 DCAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO)c1cnc[nH]1 ZINC000257194279 396035885 /nfs/dbraw/zinc/03/58/85/396035885.db2.gz SYSCXTOJKXZJSP-DZGCQCFKSA-N 1 1 300.362 0.632 50 0 DCAAMO CCn1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](CC)C2)c(C)n1 ZINC000067935223 396039495 /nfs/dbraw/zinc/03/94/95/396039495.db2.gz YQDPIQFHGWHAMQ-LBPRGKRZSA-N 1 1 300.428 0.832 50 0 DCAAMO Cc1ncncc1C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000069771873 396089464 /nfs/dbraw/zinc/08/94/64/396089464.db2.gz QPZFETWLPDYHFM-CQSZACIVSA-N 1 1 306.410 0.950 50 0 DCAAMO COc1cccc(C[N@H+]2CCc3nn(C)c(=O)n3CC2)c1OC ZINC000169783121 396091912 /nfs/dbraw/zinc/09/19/12/396091912.db2.gz SOHODHSWZBMUJL-UHFFFAOYSA-N 1 1 318.377 0.657 50 0 DCAAMO COc1cccc(C[N@@H+]2CCc3nn(C)c(=O)n3CC2)c1OC ZINC000169783121 396091913 /nfs/dbraw/zinc/09/19/13/396091913.db2.gz SOHODHSWZBMUJL-UHFFFAOYSA-N 1 1 318.377 0.657 50 0 DCAAMO CC[C@H]1CN(CC(=O)Nc2cc(C)nn2C)CC[N@H+]1CCOC ZINC000069842232 396091923 /nfs/dbraw/zinc/09/19/23/396091923.db2.gz KWTREASHLPZKOX-AWEZNQCLSA-N 1 1 323.441 0.710 50 0 DCAAMO Cc1csc(N2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C)n1 ZINC000069951239 396096589 /nfs/dbraw/zinc/09/65/89/396096589.db2.gz XOYWRJPDQMLPLQ-NSHDSACASA-N 1 1 323.422 0.514 50 0 DCAAMO Cc1csc(N2CC[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C)n1 ZINC000069951239 396096592 /nfs/dbraw/zinc/09/65/92/396096592.db2.gz XOYWRJPDQMLPLQ-NSHDSACASA-N 1 1 323.422 0.514 50 0 DCAAMO COc1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(OC)c1 ZINC000069980955 396097335 /nfs/dbraw/zinc/09/73/35/396097335.db2.gz JMTOZNRYMNIPHJ-LBPRGKRZSA-N 1 1 308.378 0.842 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000071871241 396120723 /nfs/dbraw/zinc/12/07/23/396120723.db2.gz MJHAPLMWHQZDIN-CYBMUJFWSA-N 1 1 307.398 0.194 50 0 DCAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)COC)CC1 ZINC000071920303 396125388 /nfs/dbraw/zinc/12/53/88/396125388.db2.gz NMGSLWHDVPUMCN-ZIAGYGMSSA-N 1 1 300.447 0.594 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000072268900 396128307 /nfs/dbraw/zinc/12/83/07/396128307.db2.gz AEGTWHBBNKWJPP-LBPRGKRZSA-N 1 1 303.366 0.258 50 0 DCAAMO CCn1ccnc1C[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300727 396130654 /nfs/dbraw/zinc/13/06/54/396130654.db2.gz LYXQXWBKSXYBJK-IAQYHMDHSA-N 1 1 305.382 0.713 50 0 DCAAMO CCn1ccnc1C[N@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300727 396130655 /nfs/dbraw/zinc/13/06/55/396130655.db2.gz LYXQXWBKSXYBJK-IAQYHMDHSA-N 1 1 305.382 0.713 50 0 DCAAMO Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@H](O)CN2CCN(C)CC2)c1 ZINC000069536167 396081909 /nfs/dbraw/zinc/08/19/09/396081909.db2.gz PBQRCGOAWLKLSB-XHSDSOJGSA-N 1 1 309.458 0.339 50 0 DCAAMO COCC[NH+]1CCN(Cc2nc(-c3cccnc3)no2)CC1 ZINC000069624485 396084424 /nfs/dbraw/zinc/08/44/24/396084424.db2.gz QWMIPOVYSBBZOS-UHFFFAOYSA-N 1 1 303.366 0.896 50 0 DCAAMO Cc1ccc(F)c(-n2nnnc2CNC[C@H]2C[N@H+](C)CCO2)c1 ZINC000075133289 396176360 /nfs/dbraw/zinc/17/63/60/396176360.db2.gz NNHCLFWVSNDTQW-LBPRGKRZSA-N 1 1 320.372 0.530 50 0 DCAAMO Cc1ccc(F)c(-n2nnnc2CNC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000075133289 396176364 /nfs/dbraw/zinc/17/63/64/396176364.db2.gz NNHCLFWVSNDTQW-LBPRGKRZSA-N 1 1 320.372 0.530 50 0 DCAAMO Cc1ccc(F)c(-n2nnnc2C[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000075133289 396176369 /nfs/dbraw/zinc/17/63/69/396176369.db2.gz NNHCLFWVSNDTQW-LBPRGKRZSA-N 1 1 320.372 0.530 50 0 DCAAMO NC(=O)[C@@H](NCC1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000075602798 396181611 /nfs/dbraw/zinc/18/16/11/396181611.db2.gz FCPRHHLDGNGXDN-HNNXBMFYSA-N 1 1 309.385 0.646 50 0 DCAAMO NC(=O)CN1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178162375 396190253 /nfs/dbraw/zinc/19/02/53/396190253.db2.gz ODPYDAGNIAUVCK-CQSZACIVSA-N 1 1 322.453 0.271 50 0 DCAAMO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3C[N@H+](C)C[C@@H]3C)cc12 ZINC000076058290 396195063 /nfs/dbraw/zinc/19/50/63/396195063.db2.gz HFKPYLKSIKNOMF-TVQRCGJNSA-N 1 1 323.422 0.505 50 0 DCAAMO CN(C)c1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000078788810 396254657 /nfs/dbraw/zinc/25/46/57/396254657.db2.gz RYRFODAAEWEMCI-LSDHHAIUSA-N 1 1 318.421 0.819 50 0 DCAAMO COc1ccccc1CCNC(=O)C[N@@H+]1CCOC[C@@H](CO)C1 ZINC000077320823 396218724 /nfs/dbraw/zinc/21/87/24/396218724.db2.gz WGFJBMCRYPNJOW-CQSZACIVSA-N 1 1 322.405 0.295 50 0 DCAAMO COc1ccccc1CCNC(=O)C[N@H+]1CCOC[C@@H](CO)C1 ZINC000077320823 396218728 /nfs/dbraw/zinc/21/87/28/396218728.db2.gz WGFJBMCRYPNJOW-CQSZACIVSA-N 1 1 322.405 0.295 50 0 DCAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cn(CC[NH3+])nn1 ZINC000077486016 396224399 /nfs/dbraw/zinc/22/43/99/396224399.db2.gz XXDXTOCAIKBLMY-UHFFFAOYSA-N 1 1 317.328 0.524 50 0 DCAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCCc1cn2ccccc2n1 ZINC000584892336 396634285 /nfs/dbraw/zinc/63/42/85/396634285.db2.gz JNZHRKPCVTVIMP-CQSZACIVSA-N 1 1 302.378 0.450 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCCc1cn2ccccc2n1 ZINC000584892336 396634288 /nfs/dbraw/zinc/63/42/88/396634288.db2.gz JNZHRKPCVTVIMP-CQSZACIVSA-N 1 1 302.378 0.450 50 0 DCAAMO C[N@H+]1CCOC[C@H](CNC(=O)Cc2n[nH]c3ccccc23)C1 ZINC000584894652 396634513 /nfs/dbraw/zinc/63/45/13/396634513.db2.gz RPLBUZJSSKKYQQ-GFCCVEGCSA-N 1 1 302.378 0.800 50 0 DCAAMO C[N@@H+]1CCOC[C@H](CNC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000584894652 396634517 /nfs/dbraw/zinc/63/45/17/396634517.db2.gz RPLBUZJSSKKYQQ-GFCCVEGCSA-N 1 1 302.378 0.800 50 0 DCAAMO C[N@H+]1CCOC[C@H](CNC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000584894652 396634521 /nfs/dbraw/zinc/63/45/21/396634521.db2.gz RPLBUZJSSKKYQQ-GFCCVEGCSA-N 1 1 302.378 0.800 50 0 DCAAMO CCc1noc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000584899689 396636180 /nfs/dbraw/zinc/63/61/80/396636180.db2.gz ORWWPBCLGNHZFA-UHFFFAOYSA-N 1 1 316.365 0.816 50 0 DCAAMO CN1CCC(Cn2cnc3cccnc3c2=O)([NH+](C)C)CC1 ZINC000584901696 396637342 /nfs/dbraw/zinc/63/73/42/396637342.db2.gz DVVLMCFIXLPTLF-UHFFFAOYSA-N 1 1 301.394 0.818 50 0 DCAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCC1CCN(C(=O)C2CC2)CC1 ZINC000584903537 396637367 /nfs/dbraw/zinc/63/73/67/396637367.db2.gz XASWKUYQTPZYJG-HNNXBMFYSA-N 1 1 323.437 0.208 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCC1CCN(C(=O)C2CC2)CC1 ZINC000584903537 396637369 /nfs/dbraw/zinc/63/73/69/396637369.db2.gz XASWKUYQTPZYJG-HNNXBMFYSA-N 1 1 323.437 0.208 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCn3cccn3)C[C@H]2C)CC1 ZINC000299754050 396714349 /nfs/dbraw/zinc/71/43/49/396714349.db2.gz RXWLVHSKOMDYBK-GDBMZVCRSA-N 1 1 305.426 0.368 50 0 DCAAMO CC[C@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000027116999 415169460 /nfs/dbraw/zinc/16/94/60/415169460.db2.gz IXHZFTTYPUEYTD-LBPRGKRZSA-N 1 1 314.407 0.824 50 0 DCAAMO CC[C@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000027116999 415169469 /nfs/dbraw/zinc/16/94/69/415169469.db2.gz IXHZFTTYPUEYTD-LBPRGKRZSA-N 1 1 314.407 0.824 50 0 DCAAMO O=C(Cn1nc2ccccn2c1=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044941771 415236724 /nfs/dbraw/zinc/23/67/24/415236724.db2.gz BYTIKICLGOHNRW-QWHCGFSZSA-N 1 1 315.377 0.239 50 0 DCAAMO c1nc2ncnc(NC[C@@]3([NH+]4CCOCC4)CCSC3)c2[nH]1 ZINC000044975867 415238049 /nfs/dbraw/zinc/23/80/49/415238049.db2.gz GOKVBFHSKUPHJA-AWEZNQCLSA-N 1 1 320.422 0.973 50 0 DCAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1ccncc1 ZINC000044967833 415238349 /nfs/dbraw/zinc/23/83/49/415238349.db2.gz FXJYSNDRWBJSAY-UKRRQHHQSA-N 1 1 320.393 0.940 50 0 DCAAMO Cc1c(C(=O)NC2CC[NH+](CC(N)=O)CC2)cnn1C(C)(C)C ZINC000045056901 415241520 /nfs/dbraw/zinc/24/15/20/415241520.db2.gz GFROTTAXAJVEKG-UHFFFAOYSA-N 1 1 321.425 0.626 50 0 DCAAMO COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000048037737 415284315 /nfs/dbraw/zinc/28/43/15/415284315.db2.gz KMYBPKHNDOFTBA-JSGCOSHPSA-N 1 1 319.405 0.550 50 0 DCAAMO Cc1ccc(C[N@@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c(C)c1 ZINC000275472093 415374853 /nfs/dbraw/zinc/37/48/53/415374853.db2.gz AOPXMBIGPDTJNA-INIZCTEOSA-N 1 1 305.422 0.921 50 0 DCAAMO Cc1ccc(C[N@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c(C)c1 ZINC000275472093 415374858 /nfs/dbraw/zinc/37/48/58/415374858.db2.gz AOPXMBIGPDTJNA-INIZCTEOSA-N 1 1 305.422 0.921 50 0 DCAAMO CSc1ncc(C(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)c(=O)[nH]1 ZINC000067695577 415382952 /nfs/dbraw/zinc/38/29/52/415382952.db2.gz NFUUHUWWECTZJQ-UWVGGRQHSA-N 1 1 323.422 0.022 50 0 DCAAMO O=C(C1CCC1)N(CC1=CCC[N@H+](C[C@@H](O)CO)C1)C1CC1 ZINC000067688975 415384499 /nfs/dbraw/zinc/38/44/99/415384499.db2.gz PRBKBLIMFXMIEK-MRXNPFEDSA-N 1 1 308.422 0.763 50 0 DCAAMO CC[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH+]1CCOCC1 ZINC000084735846 415501532 /nfs/dbraw/zinc/50/15/32/415501532.db2.gz CATPGLWVRHPARB-UONOGXRCSA-N 1 1 307.398 0.237 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)CC1 ZINC000075133738 415438443 /nfs/dbraw/zinc/43/84/43/415438443.db2.gz GLQRVEOVDSJZPJ-ZDUSSCGKSA-N 1 1 317.393 0.795 50 0 DCAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1CO ZINC000092081610 415538281 /nfs/dbraw/zinc/53/82/81/415538281.db2.gz YILWCNSXBMHGSE-HUUCEWRRSA-N 1 1 322.453 0.199 50 0 DCAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1CO ZINC000092081610 415538292 /nfs/dbraw/zinc/53/82/92/415538292.db2.gz YILWCNSXBMHGSE-HUUCEWRRSA-N 1 1 322.453 0.199 50 0 DCAAMO COc1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1OC ZINC000095982903 415569318 /nfs/dbraw/zinc/56/93/18/415569318.db2.gz QMYPUDUANDNCEI-LBPRGKRZSA-N 1 1 314.407 0.957 50 0 DCAAMO COc1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1OC ZINC000095982903 415569325 /nfs/dbraw/zinc/56/93/25/415569325.db2.gz QMYPUDUANDNCEI-LBPRGKRZSA-N 1 1 314.407 0.957 50 0 DCAAMO Cn1ccnc1CN(CCO)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000299774688 416065273 /nfs/dbraw/zinc/06/52/73/416065273.db2.gz HXMOIOMNFCMBQH-NSHDSACASA-N 1 1 318.381 0.295 50 0 DCAAMO Cn1cccc(C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)c1=O ZINC000299773606 416065819 /nfs/dbraw/zinc/06/58/19/416065819.db2.gz DRUSUODTNXHQJC-KBPBESRZSA-N 1 1 301.350 0.323 50 0 DCAAMO Cc1cc(CC(=O)NCC2(CN3CC[NH+](C)CC3)CC2)on1 ZINC000299784485 416066921 /nfs/dbraw/zinc/06/69/21/416066921.db2.gz HXAVKNWOTIVFJW-UHFFFAOYSA-N 1 1 306.410 0.669 50 0 DCAAMO O=C(Cn1nccn1)N[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000299795023 416069140 /nfs/dbraw/zinc/06/91/40/416069140.db2.gz LETZHKLSOHPTFZ-CQSZACIVSA-N 1 1 315.377 0.765 50 0 DCAAMO O=C(Cn1nccn1)N[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000299795023 416069143 /nfs/dbraw/zinc/06/91/43/416069143.db2.gz LETZHKLSOHPTFZ-CQSZACIVSA-N 1 1 315.377 0.765 50 0 DCAAMO CCOCC[N@@H+]1CCN(CC(=O)NC2CCOCC2)C[C@H]1C ZINC000247383334 416332751 /nfs/dbraw/zinc/33/27/51/416332751.db2.gz WDPKYBWOSFGLMH-CQSZACIVSA-N 1 1 313.442 0.324 50 0 DCAAMO CCOCC[N@H+]1CCN(CC(=O)NC2CCOCC2)C[C@H]1C ZINC000247383334 416332752 /nfs/dbraw/zinc/33/27/52/416332752.db2.gz WDPKYBWOSFGLMH-CQSZACIVSA-N 1 1 313.442 0.324 50 0 DCAAMO O=C1[C@@H]([N@H+]2CCCC[C@H]2CN2CCOCC2)CCN1C1CC1 ZINC000252517290 416334566 /nfs/dbraw/zinc/33/45/66/416334566.db2.gz DWJQRYZIJWZERD-HOTGVXAUSA-N 1 1 307.438 0.936 50 0 DCAAMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(cn2)OCCC3)[C@H](C)C1 ZINC000253429263 416334753 /nfs/dbraw/zinc/33/47/53/416334753.db2.gz QCOQIORBQNPUQH-OLZOCXBDSA-N 1 1 319.405 0.934 50 0 DCAAMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3c(cn2)OCCC3)[C@H](C)C1 ZINC000253429263 416334754 /nfs/dbraw/zinc/33/47/54/416334754.db2.gz QCOQIORBQNPUQH-OLZOCXBDSA-N 1 1 319.405 0.934 50 0 DCAAMO O=C(NC[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000215655129 416327313 /nfs/dbraw/zinc/32/73/13/416327313.db2.gz NWDJXVCVHBCARJ-LLVKDONJSA-N 1 1 320.393 0.448 50 0 DCAAMO CCn1cc(C(=O)NCC[C@H](C)N2CC[NH+](C)CC2)c(C)n1 ZINC000216158554 416327438 /nfs/dbraw/zinc/32/74/38/416327438.db2.gz KSGARQOEVUCBIJ-ZDUSSCGKSA-N 1 1 307.442 0.967 50 0 DCAAMO C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@@H](C)S1 ZINC000229343540 416328068 /nfs/dbraw/zinc/32/80/68/416328068.db2.gz COGPWVPAVZTIRY-UPJWGTAASA-N 1 1 300.472 0.768 50 0 DCAAMO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000237956518 416329234 /nfs/dbraw/zinc/32/92/34/416329234.db2.gz RYHCOGNBWKKPFX-NSHDSACASA-N 1 1 315.377 0.490 50 0 DCAAMO CC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000241644555 416330347 /nfs/dbraw/zinc/33/03/47/416330347.db2.gz PRSPKIQDCYETBX-VXGBXAGGSA-N 1 1 303.428 0.062 50 0 DCAAMO CN(C)c1noc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)n1 ZINC000241693896 416330375 /nfs/dbraw/zinc/33/03/75/416330375.db2.gz QIPZPWIZSBIKNV-STQMWFEESA-N 1 1 320.397 0.957 50 0 DCAAMO CN(C)c1noc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)n1 ZINC000241693896 416330376 /nfs/dbraw/zinc/33/03/76/416330376.db2.gz QIPZPWIZSBIKNV-STQMWFEESA-N 1 1 320.397 0.957 50 0 DCAAMO CN(C)CC[N@@H+](C)C1CCN(C(=O)c2cnc(N)s2)CC1 ZINC000584888582 416516292 /nfs/dbraw/zinc/51/62/92/416516292.db2.gz CTMPDXGKHSQRJO-UHFFFAOYSA-N 1 1 311.455 0.823 50 0 DCAAMO CN(CC[NH+](C)C)C1CCN(C(=O)c2cnc(N)s2)CC1 ZINC000584888582 416516296 /nfs/dbraw/zinc/51/62/96/416516296.db2.gz CTMPDXGKHSQRJO-UHFFFAOYSA-N 1 1 311.455 0.823 50 0 DCAAMO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)O1 ZINC000585122225 416517546 /nfs/dbraw/zinc/51/75/46/416517546.db2.gz RRLZRBYIGBNATI-YUELXQCFSA-N 1 1 323.437 0.470 50 0 DCAAMO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)O1 ZINC000585122225 416517551 /nfs/dbraw/zinc/51/75/51/416517551.db2.gz RRLZRBYIGBNATI-YUELXQCFSA-N 1 1 323.437 0.470 50 0 DCAAMO Cn1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(C(=O)OC(C)(C)C)n1 ZINC000585117833 416517798 /nfs/dbraw/zinc/51/77/98/416517798.db2.gz YZXSRJNEVKVPMD-SNVBAGLBSA-N 1 1 308.382 0.683 50 0 DCAAMO Cn1cc(C[N@H+]2CC[C@@H](C(N)=O)C2)c(C(=O)OC(C)(C)C)n1 ZINC000585117833 416517801 /nfs/dbraw/zinc/51/78/01/416517801.db2.gz YZXSRJNEVKVPMD-SNVBAGLBSA-N 1 1 308.382 0.683 50 0 DCAAMO COC(=O)NCC(=O)N(C)C[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000082157612 277072767 /nfs/dbraw/zinc/07/27/67/277072767.db2.gz QVJZBIRHGMRENT-AWEZNQCLSA-N 1 1 305.378 0.858 50 0 DCAAMO Cc1ncnc(N2CCC([N@H+]3CCNC(=O)CC3)CC2)c1C ZINC000091985988 279176523 /nfs/dbraw/zinc/17/65/23/279176523.db2.gz NQYBVUXHOJZDSB-UHFFFAOYSA-N 1 1 303.410 0.884 50 0 DCAAMO CC[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH+]1CCOCC1 ZINC000084735845 280349004 /nfs/dbraw/zinc/34/90/04/280349004.db2.gz CATPGLWVRHPARB-ZIAGYGMSSA-N 1 1 307.398 0.237 50 0 DCAAMO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCCN(C(N)=O)CC1)C1CC1 ZINC000089894167 289396169 /nfs/dbraw/zinc/39/61/69/289396169.db2.gz SEUHZQROIVJWIR-GFCCVEGCSA-N 1 1 308.426 0.862 50 0 DCAAMO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCCN(C(N)=O)CC1)C1CC1 ZINC000089894167 289396174 /nfs/dbraw/zinc/39/61/74/289396174.db2.gz SEUHZQROIVJWIR-GFCCVEGCSA-N 1 1 308.426 0.862 50 0 DCAAMO C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H]1c1ccccc1 ZINC000253429222 290133172 /nfs/dbraw/zinc/13/31/72/290133172.db2.gz CFAJEATXCGMQMR-RHSMWYFYSA-N 1 1 317.389 0.407 50 0 DCAAMO Cc1cnc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000060359766 302334782 /nfs/dbraw/zinc/33/47/82/302334782.db2.gz AIWDEQVRXFVVKO-CQSZACIVSA-N 1 1 319.409 0.458 50 0 DCAAMO C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)CCc2ccncc2)CC1 ZINC000534587005 334292476 /nfs/dbraw/zinc/29/24/76/334292476.db2.gz XWKHHCMFLGLFKQ-HOTGVXAUSA-N 1 1 318.421 0.145 50 0 DCAAMO NC(=O)c1cccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000084364146 545701005 /nfs/dbraw/zinc/70/10/05/545701005.db2.gz AWSMWFULVFWJMK-HUUCEWRRSA-N 1 1 317.389 0.457 50 0 DCAAMO O=C(C[C@@H]1OCCc2sccc21)N1CC[NH+](CCO)CC1 ZINC000084618262 545701910 /nfs/dbraw/zinc/70/19/10/545701910.db2.gz ZNMYTWQWMFTFJO-ZDUSSCGKSA-N 1 1 310.419 0.889 50 0 DCAAMO O=C(c1cn2cccnc2n1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000084614952 545702755 /nfs/dbraw/zinc/70/27/55/545702755.db2.gz XJCVYLMUNAIRIB-UONOGXRCSA-N 1 1 315.377 0.401 50 0 DCAAMO O=C(Cc1cccc(O)c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000888096932 661175788 /nfs/dbraw/zinc/17/57/88/661175788.db2.gz WHCSRBKQMWJOMX-CQSZACIVSA-N 1 1 317.389 0.358 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(c2ncnc(Cl)c2NC=O)CC1 ZINC000888097129 661176587 /nfs/dbraw/zinc/17/65/87/661176587.db2.gz BQZSJJZVFUPCLO-JTQLQIEISA-N 1 1 313.789 0.591 50 0 DCAAMO CCCOC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC000952972062 685600185 /nfs/dbraw/zinc/60/01/85/685600185.db2.gz URZWFOKVWPCQOX-UONOGXRCSA-N 1 1 311.426 0.459 50 0 DCAAMO C[N@@H+]1CCN2C[C@@H](NS(=O)(=O)c3cccc(C#N)c3)C[C@H]2C1 ZINC000067817674 685069014 /nfs/dbraw/zinc/06/90/14/685069014.db2.gz IVQPUBLRGABPLG-KBPBESRZSA-N 1 1 320.418 0.225 50 0 DCAAMO C[N@H+]1CCN2C[C@@H](NS(=O)(=O)c3cccc(C#N)c3)C[C@H]2C1 ZINC000067817674 685069023 /nfs/dbraw/zinc/06/90/23/685069023.db2.gz IVQPUBLRGABPLG-KBPBESRZSA-N 1 1 320.418 0.225 50 0 DCAAMO CN1CC[N@@H+]2C[C@@H](NS(=O)(=O)c3cccc(C#N)c3)C[C@H]2C1 ZINC000067817674 685069030 /nfs/dbraw/zinc/06/90/30/685069030.db2.gz IVQPUBLRGABPLG-KBPBESRZSA-N 1 1 320.418 0.225 50 0 DCAAMO CN1CC[N@H+]2C[C@@H](NS(=O)(=O)c3cccc(C#N)c3)C[C@H]2C1 ZINC000067817674 685069038 /nfs/dbraw/zinc/06/90/38/685069038.db2.gz IVQPUBLRGABPLG-KBPBESRZSA-N 1 1 320.418 0.225 50 0 DCAAMO Cc1nc2c(c(C)n1)C[C@H](C[N@@H+]1C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C1)O2 ZINC000072125688 685073585 /nfs/dbraw/zinc/07/35/85/685073585.db2.gz HYKPRBCHTSSBSA-WALBABNVSA-N 1 1 319.405 0.461 50 0 DCAAMO C[N@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(C(F)(F)F)n[nH]1)C2 ZINC001704307438 1179968220 /nfs/dbraw/zinc/96/82/20/1179968220.db2.gz ZGVQYLQIAOHLLG-IUCAKERBSA-N 1 1 318.299 0.831 50 0 DCAAMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(C(F)(F)F)[nH]n1)C2 ZINC001704307438 1179968227 /nfs/dbraw/zinc/96/82/27/1179968227.db2.gz ZGVQYLQIAOHLLG-IUCAKERBSA-N 1 1 318.299 0.831 50 0 DCAAMO C[N@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(C(F)(F)F)[nH]n1)C2 ZINC001704307438 1179968233 /nfs/dbraw/zinc/96/82/33/1179968233.db2.gz ZGVQYLQIAOHLLG-IUCAKERBSA-N 1 1 318.299 0.831 50 0 DCAAMO CS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccoc3)CC[C@@]2(CO)C1 ZINC000675022102 748028275 /nfs/dbraw/zinc/02/82/75/748028275.db2.gz WRLVHQOUWBCUBE-KGLIPLIRSA-N 1 1 314.407 0.355 50 0 DCAAMO CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccoc3)CC[C@@]2(CO)C1 ZINC000675022102 748028283 /nfs/dbraw/zinc/02/82/83/748028283.db2.gz WRLVHQOUWBCUBE-KGLIPLIRSA-N 1 1 314.407 0.355 50 0 DCAAMO COCCCn1c(C)c[nH+]c1[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000581815949 760256152 /nfs/dbraw/zinc/25/61/52/760256152.db2.gz KZPYWBPWCFLVDL-GFCCVEGCSA-N 1 1 301.412 0.977 50 0 DCAAMO CS[C@H](C)C(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000952863574 768915218 /nfs/dbraw/zinc/91/52/18/768915218.db2.gz USZYEKIEVKCITL-CYBMUJFWSA-N 1 1 315.483 0.339 50 0 DCAAMO CS(=O)(=O)N1CC(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000952877765 768942449 /nfs/dbraw/zinc/94/24/49/768942449.db2.gz VDRPUUQQISPXHE-CVEARBPZSA-N 1 1 323.462 0.552 50 0 DCAAMO CN(C)c1nccnc1N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC001529106533 1014496271 /nfs/dbraw/zinc/49/62/71/1014496271.db2.gz PYEAXYAOTMRWDW-AWEZNQCLSA-N 1 1 305.426 0.826 50 0 DCAAMO COCC[N@@H+]1CC[C@H](CN(C)c2nc(NCC(=O)[O-])cc[nH+]2)C1 ZINC001529168791 1014510757 /nfs/dbraw/zinc/51/07/57/1014510757.db2.gz LVKOHJFPJMTPAU-GFCCVEGCSA-N 1 1 323.397 0.378 50 0 DCAAMO COCC[N@H+]1CC[C@H](CN(C)c2nc(NCC(=O)[O-])cc[nH+]2)C1 ZINC001529168791 1014510763 /nfs/dbraw/zinc/51/07/63/1014510763.db2.gz LVKOHJFPJMTPAU-GFCCVEGCSA-N 1 1 323.397 0.378 50 0 DCAAMO Cc1ccccc1[C@H](C(=O)NCc1nc(C(N)=O)no1)[NH+](C)C ZINC000095496539 185374170 /nfs/dbraw/zinc/37/41/70/185374170.db2.gz CFJPRWVTKXIWAV-GFCCVEGCSA-N 1 1 317.349 0.396 50 0 DCAAMO CC[N@H+]1CCN(C(=O)Cn2cccc(OC)c2=O)CC1(C)C ZINC000095501371 185375081 /nfs/dbraw/zinc/37/50/81/185375081.db2.gz DYDYQBYEPQGDDG-UHFFFAOYSA-N 1 1 307.394 0.800 50 0 DCAAMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccccc1F ZINC000079311693 185164476 /nfs/dbraw/zinc/16/44/76/185164476.db2.gz HKYXQRYBGBXXTM-NSHDSACASA-N 1 1 302.371 0.957 50 0 DCAAMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOc1ccccc1F ZINC000079311693 185164477 /nfs/dbraw/zinc/16/44/77/185164477.db2.gz HKYXQRYBGBXXTM-NSHDSACASA-N 1 1 302.371 0.957 50 0 DCAAMO Cc1[nH]nc2ncc(NC(=O)[C@@H](C)N3CC[NH+](C)CC3)cc12 ZINC000090417657 185295063 /nfs/dbraw/zinc/29/50/63/185295063.db2.gz GXHSSLNYPZLHET-LLVKDONJSA-N 1 1 302.382 0.841 50 0 DCAAMO O=C1[C@@H](N2CC[NH+](CCO)CC2)CCCN1c1ccccc1 ZINC000095397640 185353261 /nfs/dbraw/zinc/35/32/61/185353261.db2.gz RQMDBJGQFHQOCL-INIZCTEOSA-N 1 1 303.406 0.792 50 0 DCAAMO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000095453116 185369494 /nfs/dbraw/zinc/36/94/94/185369494.db2.gz GMHWBLKQSMVFDV-UHFFFAOYSA-N 1 1 313.423 0.174 50 0 DCAAMO OCC[C@@H]1CN(Cc2cc3n(n2)CCNC3)CC[N@@H+]1CC1CC1 ZINC000072156559 191058501 /nfs/dbraw/zinc/05/85/01/191058501.db2.gz MQHVBHLERGTMBQ-MRXNPFEDSA-N 1 1 319.453 0.265 50 0 DCAAMO OCC[C@@H]1CN(Cc2cc3n(n2)CCNC3)CC[N@H+]1CC1CC1 ZINC000072156559 191058503 /nfs/dbraw/zinc/05/85/03/191058503.db2.gz MQHVBHLERGTMBQ-MRXNPFEDSA-N 1 1 319.453 0.265 50 0 DCAAMO CCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000072162108 191062932 /nfs/dbraw/zinc/06/29/32/191062932.db2.gz IGGMFCGQUCHLCB-OAHLLOKOSA-N 1 1 303.406 0.946 50 0 DCAAMO CCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000072162108 191062934 /nfs/dbraw/zinc/06/29/34/191062934.db2.gz IGGMFCGQUCHLCB-OAHLLOKOSA-N 1 1 303.406 0.946 50 0 DCAAMO c1c(CN2CCC([NH+]3CCSCC3)CC2)nn2c1CNCC2 ZINC000072164084 191063830 /nfs/dbraw/zinc/06/38/30/191063830.db2.gz VVQQDGODRRWHGK-UHFFFAOYSA-N 1 1 321.494 1.000 50 0 DCAAMO CC[C@@H]1CN(Cc2nc(CCOC)no2)CC[N@H+]1C[C@@H](C)O ZINC000072279821 191102028 /nfs/dbraw/zinc/10/20/28/191102028.db2.gz WGAMWMKEWXIOPE-CHWSQXEVSA-N 1 1 312.414 0.536 50 0 DCAAMO C[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000072300438 191113673 /nfs/dbraw/zinc/11/36/73/191113673.db2.gz ZHDWCRNGKCMCQP-DZGCQCFKSA-N 1 1 306.410 0.532 50 0 DCAAMO Cc1nn(C)c2ncnc(N(C)C[C@H](C)[NH+]3CCOCC3)c12 ZINC000072423390 191158285 /nfs/dbraw/zinc/15/82/85/191158285.db2.gz DZZADMURVGPWEZ-NSHDSACASA-N 1 1 304.398 0.829 50 0 DCAAMO 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/nfs/dbraw/zinc/25/58/73/396255873.db2.gz DNHUMBRFAMYQTI-ZDUSSCGKSA-N 1 1 319.413 0.991 50 0 DCAAMO Cn1ccnc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077516976 396225037 /nfs/dbraw/zinc/22/50/37/396225037.db2.gz LZUHTKBFBAPGRG-INIZCTEOSA-N 1 1 306.410 0.617 50 0 DCAAMO Cn1ccnc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077516976 396225041 /nfs/dbraw/zinc/22/50/41/396225041.db2.gz LZUHTKBFBAPGRG-INIZCTEOSA-N 1 1 306.410 0.617 50 0 DCAAMO Cc1cc(N2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)nc(C)[nH+]1 ZINC000283325366 396329952 /nfs/dbraw/zinc/32/99/52/396329952.db2.gz GVJXAXURXBISBQ-GFCCVEGCSA-N 1 1 319.365 0.287 50 0 DCAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)NCCN2CCCCC2=O)C1 ZINC000584894685 396634494 /nfs/dbraw/zinc/63/44/94/396634494.db2.gz YHQZLYKWHKNMGL-AWEZNQCLSA-N 1 1 311.426 0.614 50 0 DCAAMO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000585136539 396641515 /nfs/dbraw/zinc/64/15/15/396641515.db2.gz KCHRCXOXPDSIPJ-CABCVRRESA-N 1 1 324.425 0.400 50 0 DCAAMO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCCN(Cc2ccccc2)CC1 ZINC000324023188 159013383 /nfs/dbraw/zinc/01/33/83/159013383.db2.gz OANPCIQPGQVNNM-CVEARBPZSA-N 1 1 303.406 0.444 50 0 DCAAMO Cc1nn2cnnc2c(C)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000020994912 415154113 /nfs/dbraw/zinc/15/41/13/415154113.db2.gz WLROEEIUKREATR-UHFFFAOYSA-N 1 1 302.382 0.448 50 0 DCAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc[nH]c2=O)C[C@H](C)O1 ZINC000021063425 415154752 /nfs/dbraw/zinc/15/47/52/415154752.db2.gz PMAMMHFUOMBRGR-TXEJJXNPSA-N 1 1 307.394 0.993 50 0 DCAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc[nH]c2=O)C[C@H](C)O1 ZINC000021063425 415154757 /nfs/dbraw/zinc/15/47/57/415154757.db2.gz PMAMMHFUOMBRGR-TXEJJXNPSA-N 1 1 307.394 0.993 50 0 DCAAMO Cc1cnc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cn1 ZINC000042578935 415210875 /nfs/dbraw/zinc/21/08/75/415210875.db2.gz BUXKPDFVPRIFPT-OAHLLOKOSA-N 1 1 305.426 0.787 50 0 DCAAMO C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)N1CCOCC1 ZINC000044949267 415239279 /nfs/dbraw/zinc/23/92/79/415239279.db2.gz PIBVQLIEQPUJRY-KGLIPLIRSA-N 1 1 324.425 0.902 50 0 DCAAMO CC(C)C[C@@H](CNC(=O)NCc1cc[nH]n1)[NH+]1CCOCC1 ZINC000048331463 415291539 /nfs/dbraw/zinc/29/15/39/415291539.db2.gz HQSCKFSIDPVMOU-AWEZNQCLSA-N 1 1 309.414 0.956 50 0 DCAAMO CC(C)Cn1c(N)c(C(=O)C[N@H+](C)CC2CC2)c(=O)[nH]c1=O ZINC000048367301 415292493 /nfs/dbraw/zinc/29/24/93/415292493.db2.gz DKIUKCSQVPNNCI-UHFFFAOYSA-N 1 1 308.382 0.299 50 0 DCAAMO CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)CC2CC2)c(=O)[nH]c1=O ZINC000048367301 415292504 /nfs/dbraw/zinc/29/25/04/415292504.db2.gz DKIUKCSQVPNNCI-UHFFFAOYSA-N 1 1 308.382 0.299 50 0 DCAAMO COCC[N@H+]1CCCN(C(=O)CCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC000048428899 415293217 /nfs/dbraw/zinc/29/32/17/415293217.db2.gz VTWHYZIEUHASAB-KBPBESRZSA-N 1 1 311.426 0.329 50 0 DCAAMO Cc1ccc(NC(=O)[C@H]2CN(c3ncc(F)cn3)CC[NH2+]2)cn1 ZINC000072120892 415410055 /nfs/dbraw/zinc/41/00/55/415410055.db2.gz FCSJIJXJGLROHU-CYBMUJFWSA-N 1 1 316.340 0.736 50 0 DCAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(-n3cnnc3)n1)C2 ZINC000067689012 415384047 /nfs/dbraw/zinc/38/40/47/415384047.db2.gz LGOXYNMIGBEHQP-QWHCGFSZSA-N 1 1 312.377 0.971 50 0 DCAAMO CCOCC[NH+]1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000084801341 415501056 /nfs/dbraw/zinc/50/10/56/415501056.db2.gz QJRYZLBODFERFQ-OAHLLOKOSA-N 1 1 321.425 0.180 50 0 DCAAMO C[C@H](CCc1cccc(F)c1)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000097084463 415580025 /nfs/dbraw/zinc/58/00/25/415580025.db2.gz SCCPGHDSNBTMEL-IUODEOHRSA-N 1 1 319.380 0.789 50 0 DCAAMO C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1Cc1nccn1C ZINC000106929559 415656187 /nfs/dbraw/zinc/65/61/87/415656187.db2.gz QCSLQIRTUHZUKY-HUUCEWRRSA-N 1 1 307.442 0.257 50 0 DCAAMO C[C@H](C(=O)N1CCCC1)[N@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000107059356 415660242 /nfs/dbraw/zinc/66/02/42/415660242.db2.gz MYCIDNYXIIZUGM-HSMVNMDESA-N 1 1 322.409 0.307 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)NCCc2cn3cccnc3n2)CC1 ZINC000299755764 416064039 /nfs/dbraw/zinc/06/40/39/416064039.db2.gz DFYHRJNMJQGPAO-UHFFFAOYSA-N 1 1 316.409 0.026 50 0 DCAAMO CCc1nnc(CNC(=O)CC[N@@H+](C)[C@H]2CCN(C)C2)s1 ZINC000299762186 416064753 /nfs/dbraw/zinc/06/47/53/416064753.db2.gz LTBJMBRJTLPJRH-NSHDSACASA-N 1 1 311.455 0.743 50 0 DCAAMO CCc1nnc(CNC(=O)CCN(C)[C@H]2CC[N@H+](C)C2)s1 ZINC000299762186 416064755 /nfs/dbraw/zinc/06/47/55/416064755.db2.gz LTBJMBRJTLPJRH-NSHDSACASA-N 1 1 311.455 0.743 50 0 DCAAMO CCc1nnc(CNC(=O)CCN(C)[C@H]2CC[N@@H+](C)C2)s1 ZINC000299762186 416064759 /nfs/dbraw/zinc/06/47/59/416064759.db2.gz LTBJMBRJTLPJRH-NSHDSACASA-N 1 1 311.455 0.743 50 0 DCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(N(C)C)nc1 ZINC000299763470 416065284 /nfs/dbraw/zinc/06/52/84/416065284.db2.gz WGKOEZVOLXBKCO-KBPBESRZSA-N 1 1 306.410 0.985 50 0 DCAAMO C[N@H+]1CCN2CCN(C(=O)CCc3cccc(O)c3)C[C@@H]2C1 ZINC000299775116 416066393 /nfs/dbraw/zinc/06/63/93/416066393.db2.gz HFCHEICEVJGXNJ-HNNXBMFYSA-N 1 1 303.406 0.783 50 0 DCAAMO 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/nfs/dbraw/zinc/06/44/71/685064471.db2.gz AEBMBKQSYAOPSK-AWEZNQCLSA-N 1 1 316.361 0.930 50 0 DCAAMO Cc1nonc1OCCNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000065462818 685064482 /nfs/dbraw/zinc/06/44/82/685064482.db2.gz AEBMBKQSYAOPSK-AWEZNQCLSA-N 1 1 316.361 0.930 50 0 DCAAMO CCN(CC1=CC[N@@H+](CCNC(N)=O)CC1)C(=O)N1CCCC1 ZINC000067851074 685070971 /nfs/dbraw/zinc/07/09/71/685070971.db2.gz FAONOCZFGPTJAL-UHFFFAOYSA-N 1 1 323.441 0.825 50 0 DCAAMO C[N@@H+](CCCNC(=O)c1cnc(C(N)=O)cn1)C1CCCC1 ZINC001772712038 1157848245 /nfs/dbraw/zinc/84/82/45/1157848245.db2.gz KXMQYBQFJVKULR-UHFFFAOYSA-N 1 1 305.382 0.570 50 0 DCAAMO COc1nc(N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)ncc1F ZINC001704301048 1179966022 /nfs/dbraw/zinc/96/60/22/1179966022.db2.gz HSAKJCJPPFUZBE-IUODEOHRSA-N 1 1 310.373 0.907 50 0 DCAAMO C[N@H+]1CCC[C@]2(CO)CCN(c3nc(C(N)=O)cs3)C[C@@H]12 ZINC001704316198 1179971466 /nfs/dbraw/zinc/97/14/66/1179971466.db2.gz ZYFXCQHVOJQMAP-BXUZGUMPSA-N 1 1 310.423 0.525 50 0 DCAAMO 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/nfs/dbraw/zinc/27/52/61/766275261.db2.gz DCKZIBIBEKKBGO-CABCVRRESA-N 1 1 307.394 0.885 50 0 DCAAMO COCC[N@H+]1CC[C@@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC001529133764 1014502106 /nfs/dbraw/zinc/50/21/06/1014502106.db2.gz GOAKOVKEFXCBHD-JTQLQIEISA-N 1 1 305.386 0.326 50 0 DCAAMO CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)CCN1CCOCC1 ZINC001506399224 1017253112 /nfs/dbraw/zinc/25/31/12/1017253112.db2.gz CBPQECYZGQIVEI-CQSZACIVSA-N 1 1 304.456 0.465 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000095480041 185373441 /nfs/dbraw/zinc/37/34/41/185373441.db2.gz GERXNURKBQFOMK-LSDHHAIUSA-N 1 1 314.393 0.863 50 0 DCAAMO CCN1CCN(CC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000071747511 191021459 /nfs/dbraw/zinc/02/14/59/191021459.db2.gz ZHJRCIFLLSPGDD-UHFFFAOYSA-N 1 1 308.470 0.616 50 0 DCAAMO O=C(CCOc1ccccc1)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072150694 191055956 /nfs/dbraw/zinc/05/59/56/191055956.db2.gz AVHJBKNORPSOAO-HNNXBMFYSA-N 1 1 317.389 0.535 50 0 DCAAMO O=C([C@H]1CN(c2ncnc3[nH]ccc32)CC[NH2+]1)N1CCCC1 ZINC000072153133 191056907 /nfs/dbraw/zinc/05/69/07/191056907.db2.gz MSTTXQBGLHHGOL-GFCCVEGCSA-N 1 1 300.366 0.359 50 0 DCAAMO O=c1cc(C[N@@H+]2CCC[C@@](O)(CO)C2)nc2ccc(Cl)cn12 ZINC000072154792 191059914 /nfs/dbraw/zinc/05/99/14/191059914.db2.gz OYTVGBADYKNPAP-HNNXBMFYSA-N 1 1 323.780 0.667 50 0 DCAAMO CNc1nc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCCC2)cs1 ZINC000072138821 191048645 /nfs/dbraw/zinc/04/86/45/191048645.db2.gz FUEVFNFNSPLHQT-NSHDSACASA-N 1 1 323.422 0.221 50 0 DCAAMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000237461021 186292924 /nfs/dbraw/zinc/29/29/24/186292924.db2.gz TZYOVBGAORBXOP-CYBMUJFWSA-N 1 1 320.418 0.914 50 0 DCAAMO OC[C@]1(O)CCC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000072419169 191157261 /nfs/dbraw/zinc/15/72/61/191157261.db2.gz IHZBOVUWWLVBPJ-INIZCTEOSA-N 1 1 300.362 0.858 50 0 DCAAMO Cc1cnc(C)c(N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)n1 ZINC000091768720 193103814 /nfs/dbraw/zinc/10/38/14/193103814.db2.gz 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Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](CO)[C@H](CN(C)CCO)C1 ZINC000092061558 193150017 /nfs/dbraw/zinc/15/00/17/193150017.db2.gz WOPHVXRHBDPZAT-HUUCEWRRSA-N 1 1 310.442 0.001 50 0 DCAAMO Cc1nn(C)c(C)c1C[N@H+]1C[C@H](CO)[C@H](CN(C)CCO)C1 ZINC000092061558 193150019 /nfs/dbraw/zinc/15/00/19/193150019.db2.gz WOPHVXRHBDPZAT-HUUCEWRRSA-N 1 1 310.442 0.001 50 0 DCAAMO COC(=O)[C@@]12CCC[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)C2 ZINC000097082963 284239983 /nfs/dbraw/zinc/23/99/83/284239983.db2.gz OUEYHVGXDIKKQU-JOYOIKCWSA-N 1 1 308.300 0.940 50 0 DCAAMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C2 ZINC000097082963 284239988 /nfs/dbraw/zinc/23/99/88/284239988.db2.gz OUEYHVGXDIKKQU-JOYOIKCWSA-N 1 1 308.300 0.940 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000071877432 296187138 /nfs/dbraw/zinc/18/71/38/296187138.db2.gz LRYZNOTXXUKNOG-GDBMZVCRSA-N 1 1 305.422 0.814 50 0 DCAAMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)CC1 ZINC000019364477 182119279 /nfs/dbraw/zinc/11/92/79/182119279.db2.gz POGSCQABIVBGSB-OAHLLOKOSA-N 1 1 317.389 0.965 50 0 DCAAMO COc1ccc(OC[C@@H](O)CN2CC[NH+](CCO)CC2)cc1 ZINC000019770862 182145172 /nfs/dbraw/zinc/14/51/72/182145172.db2.gz ZGGUJDGEJUFZRU-AWEZNQCLSA-N 1 1 310.394 0.045 50 0 DCAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000019770862 182145173 /nfs/dbraw/zinc/14/51/73/182145173.db2.gz ZGGUJDGEJUFZRU-AWEZNQCLSA-N 1 1 310.394 0.045 50 0 DCAAMO C[NH+]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000020133598 182190757 /nfs/dbraw/zinc/19/07/57/182190757.db2.gz CCLICYSZYRJNHA-UHFFFAOYSA-N 1 1 315.373 0.837 50 0 DCAAMO CCCC[N@@H+](C)CCNC(=O)c1c(O)nc2sccn2c1=O ZINC000020571900 182234051 /nfs/dbraw/zinc/23/40/51/182234051.db2.gz CALLSRSXIVZPJU-UHFFFAOYSA-N 1 1 324.406 0.923 50 0 DCAAMO CCOC(=O)c1n[nH]cc1CN1CC[N@@H+](C(C)C)[C@@H](CCO)C1 ZINC000020538616 182228695 /nfs/dbraw/zinc/22/86/95/182228695.db2.gz KVAZWQGGFTTWED-AWEZNQCLSA-N 1 1 324.425 0.863 50 0 DCAAMO COCCNC(=O)CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000022847781 182336825 /nfs/dbraw/zinc/33/68/25/182336825.db2.gz KRSIQCAKGAFECG-UHFFFAOYSA-N 1 1 305.422 0.875 50 0 DCAAMO CC[C@@](C)(CNC(=O)C1=NN(C)C(=O)CC1)[NH+]1CCOCC1 ZINC000040515330 183088996 /nfs/dbraw/zinc/08/89/96/183088996.db2.gz RJPCDUMOKGSKTP-HNNXBMFYSA-N 1 1 310.398 0.212 50 0 DCAAMO CNC(=O)NC(=O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000058289906 184100691 /nfs/dbraw/zinc/10/06/91/184100691.db2.gz QZILLXPABSVZGZ-NSHDSACASA-N 1 1 312.414 0.315 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c([nH]c1=O)CCCC2 ZINC000061720186 184185341 /nfs/dbraw/zinc/18/53/41/184185341.db2.gz ATJFSHQOHVDTAF-UHFFFAOYSA-N 1 1 319.405 0.706 50 0 DCAAMO Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)n1 ZINC000065575172 184367704 /nfs/dbraw/zinc/36/77/04/184367704.db2.gz LIGZKCGXFUFJDU-ZDUSSCGKSA-N 1 1 317.393 0.676 50 0 DCAAMO Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)n1 ZINC000065575172 184367705 /nfs/dbraw/zinc/36/77/05/184367705.db2.gz LIGZKCGXFUFJDU-ZDUSSCGKSA-N 1 1 317.393 0.676 50 0 DCAAMO Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)on1 ZINC000426733958 257243548 /nfs/dbraw/zinc/24/35/48/257243548.db2.gz FURUUGZXUATHGI-UHFFFAOYSA-N 1 1 306.366 0.410 50 0 DCAAMO C[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](CCC(=O)[O-])CC2)C1 ZINC000426707270 257243797 /nfs/dbraw/zinc/24/37/97/257243797.db2.gz TZRZKOFBBUPEJA-CQSZACIVSA-N 1 1 311.426 0.727 50 0 DCAAMO O=C(NCCn1cccn1)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000426698482 257244128 /nfs/dbraw/zinc/24/41/28/257244128.db2.gz UIIPJBZVOHVCMW-HNNXBMFYSA-N 1 1 321.425 0.371 50 0 DCAAMO O=C([C@@H]1COC(=O)N1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000426433711 257250099 /nfs/dbraw/zinc/25/00/99/257250099.db2.gz WKJOQJGLLNZTAI-ZDUSSCGKSA-N 1 1 304.350 0.224 50 0 DCAAMO O=C([C@@H]1COC(=O)N1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000426433711 257250100 /nfs/dbraw/zinc/25/01/00/257250100.db2.gz WKJOQJGLLNZTAI-ZDUSSCGKSA-N 1 1 304.350 0.224 50 0 DCAAMO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](CC)C2)c(=O)[nH]c1=O ZINC000030142849 395702181 /nfs/dbraw/zinc/70/21/81/395702181.db2.gz KRZBKCXAMDTACM-NSHDSACASA-N 1 1 322.409 0.834 50 0 DCAAMO CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](CC)C2)c(=O)[nH]c1=O ZINC000030142849 395702184 /nfs/dbraw/zinc/70/21/84/395702184.db2.gz KRZBKCXAMDTACM-NSHDSACASA-N 1 1 322.409 0.834 50 0 DCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(N2CCOCC2)nc1 ZINC000089938578 395717012 /nfs/dbraw/zinc/71/70/12/395717012.db2.gz GBORODOCRMALHE-ZDUSSCGKSA-N 1 1 304.394 0.694 50 0 DCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N2CCOCC2)nc1 ZINC000089938578 395717014 /nfs/dbraw/zinc/71/70/14/395717014.db2.gz GBORODOCRMALHE-ZDUSSCGKSA-N 1 1 304.394 0.694 50 0 DCAAMO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C)C2)c(=O)[nH]c1=O ZINC000028903813 395696384 /nfs/dbraw/zinc/69/63/84/395696384.db2.gz VVYMXDZCQIAHRI-LLVKDONJSA-N 1 1 322.409 0.689 50 0 DCAAMO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C)C2)c(=O)[nH]c1=O ZINC000028903813 395696385 /nfs/dbraw/zinc/69/63/85/395696385.db2.gz VVYMXDZCQIAHRI-LLVKDONJSA-N 1 1 322.409 0.689 50 0 DCAAMO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C)CC2)c(=O)[nH]c1=O 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/nfs/dbraw/zinc/09/29/47/396092947.db2.gz OMNKPVBRMLZXHI-KBPBESRZSA-N 1 1 307.398 0.237 50 0 DCAAMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069893049 396093983 /nfs/dbraw/zinc/09/39/83/396093983.db2.gz KRSKZRVPBPTOCK-PMPSAXMXSA-N 1 1 309.410 0.904 50 0 DCAAMO CC[C@@]1(CO)CCC[N@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000170089035 396094236 /nfs/dbraw/zinc/09/42/36/396094236.db2.gz MHZLMLSXTZSTRZ-KRWDZBQOSA-N 1 1 319.453 0.965 50 0 DCAAMO C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000069922877 396095714 /nfs/dbraw/zinc/09/57/14/396095714.db2.gz CYKKRSPCLIYHGC-KGLIPLIRSA-N 1 1 314.426 0.486 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCCS(C)(=O)=O ZINC000069924121 396095768 /nfs/dbraw/zinc/09/57/68/396095768.db2.gz JSTBYRSMTWHRHU-ZIAGYGMSSA-N 1 1 302.440 0.896 50 0 DCAAMO CCCS(=O)(=O)CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069952008 396096010 /nfs/dbraw/zinc/09/60/10/396096010.db2.gz DQPOPXLRZDIYKQ-STQMWFEESA-N 1 1 302.440 0.896 50 0 DCAAMO CCCS(=O)(=O)CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069952008 396096012 /nfs/dbraw/zinc/09/60/12/396096012.db2.gz DQPOPXLRZDIYKQ-STQMWFEESA-N 1 1 302.440 0.896 50 0 DCAAMO O=C(C[NH+]1CCC(N2CCCC2=O)CC1)NCc1ccccn1 ZINC000071761574 396114742 /nfs/dbraw/zinc/11/47/42/396114742.db2.gz QWKAPQLIJMEPAN-UHFFFAOYSA-N 1 1 316.405 0.785 50 0 DCAAMO O=C(Cn1nnc(-c2ccccc2)n1)N1CC[NH+](C2CC2)CC1 ZINC000071836688 396118049 /nfs/dbraw/zinc/11/80/49/396118049.db2.gz ALADCXDHAYPUIH-UHFFFAOYSA-N 1 1 312.377 0.647 50 0 DCAAMO CCn1ccnc1CN1CC[N@H+](CCn2cncn2)C[C@@H]1C ZINC000071863881 396119579 /nfs/dbraw/zinc/11/95/79/396119579.db2.gz JYKVEVNEMWXEIG-AWEZNQCLSA-N 1 1 303.414 0.701 50 0 DCAAMO CCn1ccnc1CN1CC[N@@H+](CCn2cncn2)C[C@@H]1C ZINC000071863881 396119580 /nfs/dbraw/zinc/11/95/80/396119580.db2.gz JYKVEVNEMWXEIG-AWEZNQCLSA-N 1 1 303.414 0.701 50 0 DCAAMO Cc1noc2ncc(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)cc12 ZINC000071871172 396120641 /nfs/dbraw/zinc/12/06/41/396120641.db2.gz YXRDHOHXYDECOW-SNVBAGLBSA-N 1 1 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/nfs/dbraw/zinc/07/82/37/396078237.db2.gz ZUNYBEOXKDATAE-ZDUSSCGKSA-N 1 1 319.365 0.909 50 0 DCAAMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H](C1CC1)N(C)C ZINC000069581316 396083622 /nfs/dbraw/zinc/08/36/22/396083622.db2.gz KQDSGUMWSZFBLG-MRXNPFEDSA-N 1 1 321.469 0.995 50 0 DCAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)no1 ZINC000069630453 396085557 /nfs/dbraw/zinc/08/55/57/396085557.db2.gz GCFCUOIROOHCOB-GFCCVEGCSA-N 1 1 304.354 0.925 50 0 DCAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)no1 ZINC000069630453 396085562 /nfs/dbraw/zinc/08/55/62/396085562.db2.gz GCFCUOIROOHCOB-GFCCVEGCSA-N 1 1 304.354 0.925 50 0 DCAAMO CC(=O)N1CCCC[C@H]1CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000075603017 396182673 /nfs/dbraw/zinc/18/26/73/396182673.db2.gz VIKVLTMTGDSQFW-ZFWWWQNUSA-N 1 1 311.426 0.303 50 0 DCAAMO Cc1noc(CCCC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000076052228 396194795 /nfs/dbraw/zinc/19/47/95/396194795.db2.gz UYBHZGUCXBRHMJ-TZMCWYRMSA-N 1 1 322.409 0.880 50 0 DCAAMO Cc1nc(Cl)cc(NC[C@@](C)(O)C[NH+]2CCOCC2)n1 ZINC000078343444 396242850 /nfs/dbraw/zinc/24/28/50/396242850.db2.gz DNXCOZJSKCXPII-CYBMUJFWSA-N 1 1 300.790 0.934 50 0 DCAAMO Cn1cc(CCC[N@@H+]2CCO[C@@H](CNc3cccnn3)C2)cn1 ZINC000078893715 396256990 /nfs/dbraw/zinc/25/69/90/396256990.db2.gz FKCBKIJEHAGNSB-HNNXBMFYSA-N 1 1 316.409 0.956 50 0 DCAAMO Cn1cc(CCC[N@H+]2CCO[C@@H](CNc3cccnn3)C2)cn1 ZINC000078893715 396256992 /nfs/dbraw/zinc/25/69/92/396256992.db2.gz FKCBKIJEHAGNSB-HNNXBMFYSA-N 1 1 316.409 0.956 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)C1(n2cnnn2)CCCCC1 ZINC000079501351 396265830 /nfs/dbraw/zinc/26/58/30/396265830.db2.gz NIDCLNAPBISQIY-UHFFFAOYSA-N 1 1 322.413 0.171 50 0 DCAAMO O[C@]1(C[NH+]2CCC(Oc3cccnc3)CC2)CNCCOC1 ZINC000077338217 396219166 /nfs/dbraw/zinc/21/91/66/396219166.db2.gz JHUDQUBQCDNQGO-INIZCTEOSA-N 1 1 307.394 0.276 50 0 DCAAMO C[N@H+](CC(=O)N1CCOC[C@H](CO)C1)Cc1ccc(F)cc1 ZINC000077457121 396223361 /nfs/dbraw/zinc/22/33/61/396223361.db2.gz NTKAZHIWKDSPTD-AWEZNQCLSA-N 1 1 310.369 0.725 50 0 DCAAMO C[N@@H+](CC(=O)N1CCOC[C@H](CO)C1)Cc1ccc(F)cc1 ZINC000077457121 396223363 /nfs/dbraw/zinc/22/33/63/396223363.db2.gz NTKAZHIWKDSPTD-AWEZNQCLSA-N 1 1 310.369 0.725 50 0 DCAAMO CC[C@@H](C)[N@@H+](C)CCNc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000290628427 396468227 /nfs/dbraw/zinc/46/82/27/396468227.db2.gz MIDUHCYIDHTOSZ-CYBMUJFWSA-N 1 1 320.441 0.897 50 0 DCAAMO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+](C[C@H]2CCCO2)C1 ZINC000299754219 396713802 /nfs/dbraw/zinc/71/38/02/396713802.db2.gz WMTVPLRXZDWKPT-UONOGXRCSA-N 1 1 308.382 0.980 50 0 DCAAMO CCN1CCc2c3c(N)[nH]nc3nc(N3CCOCC3)c2C1 ZINC000020840642 415155643 /nfs/dbraw/zinc/15/56/43/415155643.db2.gz BQJYZZAVIGZGLL-UHFFFAOYSA-N 1 1 302.382 0.755 50 0 DCAAMO CC(C)C[C@H](CNC(=O)C1=NN(C)C(=O)CC1)[NH+]1CCOCC1 ZINC000022970448 415159814 /nfs/dbraw/zinc/15/98/14/415159814.db2.gz ODMZFBWCDZJIOQ-CYBMUJFWSA-N 1 1 324.425 0.458 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(N(C)C)nc2)CC1 ZINC000025235908 415160873 /nfs/dbraw/zinc/16/08/73/415160873.db2.gz 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/nfs/dbraw/zinc/04/85/51/685048551.db2.gz KKEJOIUEZPXRIO-HUUCEWRRSA-N 1 1 301.390 0.854 50 0 DCAAMO O[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1Cc1cnccn1 ZINC001704300978 1179966570 /nfs/dbraw/zinc/96/65/70/1179966570.db2.gz DMRZQZUYLVGABN-BXUZGUMPSA-N 1 1 307.785 0.862 50 0 DCAAMO O=C(NCCn1cccn1)[C@@H]1Cc2nc[nH]c2C2(CCCC2)[NH2+]1 ZINC000675008860 748025041 /nfs/dbraw/zinc/02/50/41/748025041.db2.gz MXXOJOXELUEKJY-ZDUSSCGKSA-N 1 1 314.393 0.706 50 0 DCAAMO C[N@H+]1CC[C@@](C)(c2nc(CC(N)=O)nn2-c2cccnc2)C1 ZINC000823754956 758265353 /nfs/dbraw/zinc/26/53/53/758265353.db2.gz KXTBMXHQHDUTSS-OAHLLOKOSA-N 1 1 300.366 0.283 50 0 DCAAMO CN1CCN(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000823791295 758275389 /nfs/dbraw/zinc/27/53/89/758275389.db2.gz VHRPVDRICQVREU-CYBMUJFWSA-N 1 1 318.487 0.189 50 0 DCAAMO NC(=O)Cc1nc(CCCn2cccn2)n(-c2cc[nH+]cc2)n1 ZINC000826841834 758845991 /nfs/dbraw/zinc/84/59/91/758845991.db2.gz CGWSHRCUIRFRIV-UHFFFAOYSA-N 1 1 311.349 0.519 50 0 DCAAMO 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/nfs/dbraw/zinc/75/68/95/395756895.db2.gz WFYBMSDRPNVCGX-CYBMUJFWSA-N 1 1 300.399 0.114 50 0 DCAAMO C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CCO1 ZINC000106917485 395784897 /nfs/dbraw/zinc/78/48/97/395784897.db2.gz IXTNHTYQMNMXCV-XQQFMLRXSA-N 1 1 303.428 0.120 50 0 DCAAMO Cc1[nH]c(=O)c(C(=O)NCC[N@H+]2CCCC[C@H]2CO)c(C)c1C ZINC000097822978 395760678 /nfs/dbraw/zinc/76/06/78/395760678.db2.gz YFTBWVQXQZNLAR-AWEZNQCLSA-N 1 1 321.421 0.877 50 0 DCAAMO CN1C[C@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1=O ZINC000046181343 395772912 /nfs/dbraw/zinc/77/29/12/395772912.db2.gz ZJNVRIRSWBRUGE-MRXNPFEDSA-N 1 1 315.417 0.852 50 0 DCAAMO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)[C@H]1CNCCO1 ZINC000214969627 395836888 /nfs/dbraw/zinc/83/68/88/395836888.db2.gz LFELBACXVUQBCE-QGZVFWFLSA-N 1 1 317.433 0.971 50 0 DCAAMO CSCc1noc(CNC(=O)[C@@H]([NH3+])c2c(C)n[nH]c2C)n1 ZINC000219935294 395847120 /nfs/dbraw/zinc/84/71/20/395847120.db2.gz FHKASGZHQJGKMW-NSHDSACASA-N 1 1 310.383 0.589 50 0 DCAAMO C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC000220244780 395848105 /nfs/dbraw/zinc/84/81/05/395848105.db2.gz GDSLNBIQCBCZSO-CYBMUJFWSA-N 1 1 322.409 0.391 50 0 DCAAMO C[NH+]1CCN(CCC(=O)N2CC[C@](O)(c3ccccc3)C2)CC1 ZINC000220446792 395849031 /nfs/dbraw/zinc/84/90/31/395849031.db2.gz DUUNOYZCLJBRLY-GOSISDBHSA-N 1 1 317.433 0.744 50 0 DCAAMO O=C([C@H](c1ccccc1)[N@@H+]1CCNC(=O)CC1)N1CCOCC1 ZINC000054258539 395896038 /nfs/dbraw/zinc/89/60/38/395896038.db2.gz BATCVMHHXURODR-INIZCTEOSA-N 1 1 317.389 0.408 50 0 DCAAMO O=C([C@H](c1ccccc1)[N@H+]1CCNC(=O)CC1)N1CCOCC1 ZINC000054258539 395896041 /nfs/dbraw/zinc/89/60/41/395896041.db2.gz BATCVMHHXURODR-INIZCTEOSA-N 1 1 317.389 0.408 50 0 DCAAMO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000054993070 395909131 /nfs/dbraw/zinc/90/91/31/395909131.db2.gz UGZPXOIGVCNMRT-CQSZACIVSA-N 1 1 319.471 0.760 50 0 DCAAMO O=C(CC[N@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1)Nc1cccnc1 ZINC000244898875 395926295 /nfs/dbraw/zinc/92/62/95/395926295.db2.gz 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396028121 /nfs/dbraw/zinc/02/81/21/396028121.db2.gz UVGQSYSDJHIIAE-GOEBONIOSA-N 1 1 322.405 0.641 50 0 DCAAMO COC[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000253431827 396028474 /nfs/dbraw/zinc/02/84/74/396028474.db2.gz IGAPHSVUSYJYTE-AWEZNQCLSA-N 1 1 312.458 0.737 50 0 DCAAMO CCc1nccn1CCC(=O)N[C@H]1C[C@H]2CN(C)CC[N@H+]2C1 ZINC000067673503 396030856 /nfs/dbraw/zinc/03/08/56/396030856.db2.gz FTQDLCSXJYQNMM-KBPBESRZSA-N 1 1 305.426 0.340 50 0 DCAAMO CS(=O)(=O)NCCC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000066411096 396007171 /nfs/dbraw/zinc/00/71/71/396007171.db2.gz YOWHBQUCUNNNDI-UHFFFAOYSA-N 1 1 313.423 0.454 50 0 DCAAMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000069870593 396093153 /nfs/dbraw/zinc/09/31/53/396093153.db2.gz LVUPGCRSRHRDQM-NWDGAFQWSA-N 1 1 318.377 0.921 50 0 DCAAMO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)CC2 ZINC000069893003 396094036 /nfs/dbraw/zinc/09/40/36/396094036.db2.gz FWUIGUWZQOSWNL-HUUCEWRRSA-N 1 1 307.442 0.584 50 0 DCAAMO 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396075925 /nfs/dbraw/zinc/07/59/25/396075925.db2.gz QLYQXQGVVKPKLK-JKSUJKDBSA-N 1 1 319.409 0.458 50 0 DCAAMO Cc1cc(C)n(C[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CCO2)n1 ZINC000069368934 396075929 /nfs/dbraw/zinc/07/59/29/396075929.db2.gz QLYQXQGVVKPKLK-JKSUJKDBSA-N 1 1 319.409 0.458 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)N2CCOCC2)n1 ZINC000069538549 396082886 /nfs/dbraw/zinc/08/28/86/396082886.db2.gz OUVLJWSZIUBQBU-WFASDCNBSA-N 1 1 321.425 0.607 50 0 DCAAMO COc1coc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1=O ZINC000282277849 396277152 /nfs/dbraw/zinc/27/71/52/396277152.db2.gz JYAWLXNPXVGCRW-GFCCVEGCSA-N 1 1 324.377 0.879 50 0 DCAAMO COCCN1C[C@]2(CCCN(c3nc(N)cc[nH+]3)C2)CCC1=O ZINC000077342252 396219660 /nfs/dbraw/zinc/21/96/60/396219660.db2.gz ZPQBBLZTSMDOHI-INIZCTEOSA-N 1 1 319.409 0.914 50 0 DCAAMO Cn1ccnc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077516980 396224628 /nfs/dbraw/zinc/22/46/28/396224628.db2.gz LZUHTKBFBAPGRG-MRXNPFEDSA-N 1 1 306.410 0.617 50 0 DCAAMO Cn1ccnc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077516980 396224634 /nfs/dbraw/zinc/22/46/34/396224634.db2.gz LZUHTKBFBAPGRG-MRXNPFEDSA-N 1 1 306.410 0.617 50 0 DCAAMO O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CC[NH2+]CC1 ZINC000193228956 396446356 /nfs/dbraw/zinc/44/63/56/396446356.db2.gz BDNVNPKFDUSPKV-UHFFFAOYSA-N 1 1 304.375 0.738 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)NCCCn2cc(Cl)cn2)CC1 ZINC000584894647 396634454 /nfs/dbraw/zinc/63/44/54/396634454.db2.gz FOHNALMYABVXAB-UHFFFAOYSA-N 1 1 313.833 0.680 50 0 DCAAMO COCCN(C)S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000069738022 292434788 /nfs/dbraw/zinc/43/47/88/292434788.db2.gz XUTJLLCRWMYAFR-NSHDSACASA-N 1 1 321.468 0.763 50 0 DCAAMO CCOc1ccc(OCCNC(=O)C[N@@H+](C)C[C@H](C)O)cc1 ZINC000131273697 196156257 /nfs/dbraw/zinc/15/62/57/196156257.db2.gz SEJHFXLDEZKBGI-ZDUSSCGKSA-N 1 1 310.394 0.893 50 0 DCAAMO CC1=[NH+]N(C(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000004316639 415130001 /nfs/dbraw/zinc/13/00/01/415130001.db2.gz NMMJVUUULIYIBO-VIFPVBQESA-N 1 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/nfs/dbraw/zinc/38/82/84/415388284.db2.gz IBKJLYAAHXAUSC-HOTGVXAUSA-N 1 1 316.405 0.763 50 0 DCAAMO CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)c1 ZINC000067934706 415388291 /nfs/dbraw/zinc/38/82/91/415388291.db2.gz IBKJLYAAHXAUSC-HOTGVXAUSA-N 1 1 316.405 0.763 50 0 DCAAMO C[C@H](CO)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000084638270 415495474 /nfs/dbraw/zinc/49/54/74/415495474.db2.gz YEEPZEQTQANXPP-HUUCEWRRSA-N 1 1 320.437 0.877 50 0 DCAAMO C[C@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000084638269 415497050 /nfs/dbraw/zinc/49/70/50/415497050.db2.gz YEEPZEQTQANXPP-LSDHHAIUSA-N 1 1 320.437 0.877 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000075133588 415438755 /nfs/dbraw/zinc/43/87/55/415438755.db2.gz RTCBBWZMXBCWDX-QWHCGFSZSA-N 1 1 308.382 0.014 50 0 DCAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000075603007 415447029 /nfs/dbraw/zinc/44/70/29/415447029.db2.gz FGCXYBIKLFJUKP-ZDUSSCGKSA-N 1 1 315.377 0.406 50 0 DCAAMO 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ZINC000585116324 416518848 /nfs/dbraw/zinc/51/88/48/416518848.db2.gz QTPOGHKYPNOUPH-ZIAGYGMSSA-N 1 1 319.340 0.664 50 0 DCAAMO COCCOCC[N@@H+](C)CCC(=O)N1CCCSCC1 ZINC000585120978 416519042 /nfs/dbraw/zinc/51/90/42/416519042.db2.gz AUNANYJWLVSCIU-UHFFFAOYSA-N 1 1 304.456 0.937 50 0 DCAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)NC(N)=O ZINC000029069935 274275809 /nfs/dbraw/zinc/27/58/09/274275809.db2.gz VUGLXTSWYRLWIR-NSHDSACASA-N 1 1 316.365 0.845 50 0 DCAAMO Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@@H](O)CN2CCN(C)CC2)c1 ZINC000229572159 279034848 /nfs/dbraw/zinc/03/48/48/279034848.db2.gz PBQRCGOAWLKLSB-ARFHVFGLSA-N 1 1 309.458 0.339 50 0 DCAAMO CC[N@@H+](CCCOc1ccc(C(N)=O)cc1)[C@H]1COC[C@@H]1O ZINC000244691881 279186599 /nfs/dbraw/zinc/18/65/99/279186599.db2.gz JKTORQIGESQDQJ-GJZGRUSLSA-N 1 1 308.378 0.636 50 0 DCAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)COC)CC1 ZINC000071920300 279359038 /nfs/dbraw/zinc/35/90/38/279359038.db2.gz NMGSLWHDVPUMCN-KBPBESRZSA-N 1 1 300.447 0.594 50 0 DCAAMO 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/nfs/dbraw/zinc/09/51/76/662095176.db2.gz CHEXVSJMLHNSBQ-UHFFFAOYSA-N 1 1 317.397 0.670 50 0 DCAAMO COCCOC[C@H](O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000043741115 669832972 /nfs/dbraw/zinc/83/29/72/669832972.db2.gz JRIGTVRHELNNNO-QLFBSQMISA-N 1 1 322.405 0.291 50 0 DCAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCC(=O)Nc1nncs1)C2 ZINC000952989407 685602511 /nfs/dbraw/zinc/60/25/11/685602511.db2.gz QJHMQDDLWSZKJF-WDEREUQCSA-N 1 1 323.422 0.952 50 0 DCAAMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)c1nc(C)c[nH]1 ZINC000952963586 685598392 /nfs/dbraw/zinc/59/83/92/685598392.db2.gz JCWDBCSCZKJVMX-NWDGAFQWSA-N 1 1 307.398 0.483 50 0 DCAAMO Cc1ncc(CO)c(CNCCC[N@H+]2CCCC[C@@H]2CO)c1O ZINC000952976160 685600809 /nfs/dbraw/zinc/60/08/09/685600809.db2.gz QGANRSHMJMAFMD-OAHLLOKOSA-N 1 1 323.437 0.914 50 0 DCAAMO C[N@H+]1CCCC[C@@H]1CCn1ncc(N2CCOCC2)cc1=O ZINC000095361428 685111867 /nfs/dbraw/zinc/11/18/67/685111867.db2.gz AOKYTEUIVQTRNK-CQSZACIVSA-N 1 1 306.410 0.954 50 0 DCAAMO 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415385521 /nfs/dbraw/zinc/38/55/21/415385521.db2.gz UDVGPTYPPIPAPG-KBPBESRZSA-N 1 1 303.410 0.168 50 0 DCAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCS(=O)(=O)N(C)C)C1 ZINC000067743827 415386166 /nfs/dbraw/zinc/38/61/66/415386166.db2.gz BOUISWBSIBHUFI-GFCCVEGCSA-N 1 1 305.444 0.114 50 0 DCAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC000075602874 415448210 /nfs/dbraw/zinc/44/82/10/415448210.db2.gz JYMHXDAQCIMWAY-LBPRGKRZSA-N 1 1 315.373 0.667 50 0 DCAAMO CCc1nnc(N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)s1 ZINC000091254411 415534554 /nfs/dbraw/zinc/53/45/54/415534554.db2.gz CXPOCKAVAVWIJZ-AWEZNQCLSA-N 1 1 309.439 0.891 50 0 DCAAMO COc1cc(C)ccc1CN1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091620930 415537003 /nfs/dbraw/zinc/53/70/03/415537003.db2.gz FCAAMCRMFRXRSG-IAGOWNOFSA-N 1 1 322.449 0.968 50 0 DCAAMO COc1cc(C)ccc1C[N@@H+]1C[C@H](CO)[C@H](CN(C)CCO)C1 ZINC000091620930 415537008 /nfs/dbraw/zinc/53/70/08/415537008.db2.gz FCAAMCRMFRXRSG-IAGOWNOFSA-N 1 1 322.449 0.968 50 0 DCAAMO 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ZINC000240500002 416330162 /nfs/dbraw/zinc/33/01/62/416330162.db2.gz NQJZVLABHXUYNQ-UHFFFAOYSA-N 1 1 300.428 0.612 50 0 DCAAMO Cn1cc(C[N@@H+]2CC[C@H](C(N)=O)C2)c(C(=O)OC(C)(C)C)n1 ZINC000585117832 416518148 /nfs/dbraw/zinc/51/81/48/416518148.db2.gz YZXSRJNEVKVPMD-JTQLQIEISA-N 1 1 308.382 0.683 50 0 DCAAMO Cn1cc(C[N@H+]2CC[C@H](C(N)=O)C2)c(C(=O)OC(C)(C)C)n1 ZINC000585117832 416518152 /nfs/dbraw/zinc/51/81/52/416518152.db2.gz YZXSRJNEVKVPMD-JTQLQIEISA-N 1 1 308.382 0.683 50 0 DCAAMO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)O1 ZINC000585122224 416518508 /nfs/dbraw/zinc/51/85/08/416518508.db2.gz RRLZRBYIGBNATI-SNPRPXQTSA-N 1 1 323.437 0.470 50 0 DCAAMO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)O1 ZINC000585122224 416518511 /nfs/dbraw/zinc/51/85/11/416518511.db2.gz RRLZRBYIGBNATI-SNPRPXQTSA-N 1 1 323.437 0.470 50 0 DCAAMO CN(CCC(C)(C)O)c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426495589 416770310 /nfs/dbraw/zinc/77/03/10/416770310.db2.gz 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ZINC000095384319 279110699 /nfs/dbraw/zinc/11/06/99/279110699.db2.gz HUROXYUNKCFFJA-CQSZACIVSA-N 1 1 304.394 0.805 50 0 DCAAMO CC[NH2+][C@@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530622 279508398 /nfs/dbraw/zinc/50/83/98/279508398.db2.gz IAVUPMFITXYVAF-POYBYMJQSA-N 1 1 324.449 0.612 50 0 DCAAMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCc1cnn(C)c1 ZINC000275801569 288145486 /nfs/dbraw/zinc/14/54/86/288145486.db2.gz WTYNUOCABXLPPD-CYBMUJFWSA-N 1 1 323.441 0.449 50 0 DCAAMO COc1cccc([C@H]2[C@@H](NS(N)(=O)=O)CC[N@@H+]2C2CC2)c1 ZINC000179902142 295330851 /nfs/dbraw/zinc/33/08/51/295330851.db2.gz LQFMNAMRHRCFDC-KBPBESRZSA-N 1 1 311.407 0.766 50 0 DCAAMO COc1cccc([C@H]2[C@@H](NS(N)(=O)=O)CC[N@H+]2C2CC2)c1 ZINC000179902142 295330853 /nfs/dbraw/zinc/33/08/53/295330853.db2.gz LQFMNAMRHRCFDC-KBPBESRZSA-N 1 1 311.407 0.766 50 0 DCAAMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000054371502 297104037 /nfs/dbraw/zinc/10/40/37/297104037.db2.gz UHQDIQCXXXJYFH-SNVBAGLBSA-N 1 1 318.420 0.073 50 0 DCAAMO COc1ccc2nc(CNC(=O)C[C@H]3C[NH2+]CCO3)[nH]c2c1 ZINC000534582447 334289623 /nfs/dbraw/zinc/28/96/23/334289623.db2.gz FYZUHYWWYJMBLY-NSHDSACASA-N 1 1 304.350 0.566 50 0 DCAAMO Cc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)cn1 ZINC000534676255 334323561 /nfs/dbraw/zinc/32/35/61/334323561.db2.gz NFYDXPOWCYJVAI-GJZGRUSLSA-N 1 1 304.394 0.135 50 0 DCAAMO O=C([C@@H]1COCC[NH2+]1)N1CCN(c2ccccc2Cl)CC1 ZINC000088357875 526493593 /nfs/dbraw/zinc/49/35/93/526493593.db2.gz APKGEYBXKSBFGD-ZDUSSCGKSA-N 1 1 309.797 0.977 50 0 DCAAMO CC[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735867 545703633 /nfs/dbraw/zinc/70/36/33/545703633.db2.gz KBBMECRWZCALCI-KGLIPLIRSA-N 1 1 323.393 0.931 50 0 DCAAMO CCc1nc(S(=O)(=O)NC[C@@H]2CC[N@@H+](CCOC)C2)c[nH]1 ZINC000670455604 547097961 /nfs/dbraw/zinc/09/79/61/547097961.db2.gz IGENUYYSGHRAIJ-NSHDSACASA-N 1 1 316.427 0.219 50 0 DCAAMO O=C(CCCN1CCCC1=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000670462586 547098680 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1014517509 /nfs/dbraw/zinc/51/75/09/1014517509.db2.gz YNNSMNIMINNQCU-UHFFFAOYSA-N 1 1 321.469 0.037 50 0 DCAAMO C[C@@H]1CN(C(=O)C[NH+]2CCC(c3nncn3C)CC2)C[C@H](C)O1 ZINC001506415562 1017264177 /nfs/dbraw/zinc/26/41/77/1017264177.db2.gz DSHROYGDQBQUSL-BETUJISGSA-N 1 1 321.425 0.630 50 0 DCAAMO Cn1ncc2c1nc(N1CCC[C@@]3(CC[N@@H+](C)C3)C1)nc2N ZINC001506423596 1017265412 /nfs/dbraw/zinc/26/54/12/1017265412.db2.gz YBNNUDWSAZOMMW-HNNXBMFYSA-N 1 1 301.398 0.868 50 0 DCAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](O)C2)CC1 ZINC000074657417 185006182 /nfs/dbraw/zinc/00/61/82/185006182.db2.gz PWHZDHRGZJIKPQ-LSDHHAIUSA-N 1 1 312.458 0.426 50 0 DCAAMO Cc1nnnn1-c1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000095479850 185373485 /nfs/dbraw/zinc/37/34/85/185373485.db2.gz FPIOPBWVOZPNKE-UHFFFAOYSA-N 1 1 300.366 0.748 50 0 DCAAMO CCn1cc(CC[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cn1 ZINC000328591168 231233786 /nfs/dbraw/zinc/23/37/86/231233786.db2.gz KSLMZZJGQWHLKS-CQSZACIVSA-N 1 1 314.455 0.849 50 0 DCAAMO CCCc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)n(C)n1 ZINC000082156491 192362985 /nfs/dbraw/zinc/36/29/85/192362985.db2.gz NZDDXODMOATDDF-AWEZNQCLSA-N 1 1 308.426 0.949 50 0 DCAAMO CC[N@H+]1CCC[C@H](CN(C)C(=O)c2ccn3nnnc3c2)C1 ZINC000071750174 191022655 /nfs/dbraw/zinc/02/26/55/191022655.db2.gz KRJJDMLACBJOAZ-GFCCVEGCSA-N 1 1 302.382 0.928 50 0 DCAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCC[C@](O)(CO)C1 ZINC000072146459 191053828 /nfs/dbraw/zinc/05/38/28/191053828.db2.gz WQMTVCZQBRYMBL-QGZVFWFLSA-N 1 1 304.390 0.391 50 0 DCAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCC[C@](O)(CO)C1 ZINC000072146459 191053831 /nfs/dbraw/zinc/05/38/31/191053831.db2.gz WQMTVCZQBRYMBL-QGZVFWFLSA-N 1 1 304.390 0.391 50 0 DCAAMO Cc1nc2c(cnn2C)c(N(C)C[C@@H](C)[NH+]2CCOCC2)n1 ZINC000072148291 191054658 /nfs/dbraw/zinc/05/46/58/191054658.db2.gz GDHJJIQWDAKUCK-LLVKDONJSA-N 1 1 304.398 0.829 50 0 DCAAMO O=c1cc(C[N@@H+]2CCC[C@](O)(CO)C2)nc2ccc(Cl)cn12 ZINC000072154791 191059788 /nfs/dbraw/zinc/05/97/88/191059788.db2.gz 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/nfs/dbraw/zinc/35/94/34/184359434.db2.gz UWWXERIEZRYSJF-UHFFFAOYSA-N 1 1 323.777 0.556 50 0 DCAAMO Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(=O)[nH]1 ZINC000065552884 184365237 /nfs/dbraw/zinc/36/52/37/184365237.db2.gz PJDJESIUFDHDLF-ZDUSSCGKSA-N 1 1 305.378 0.620 50 0 DCAAMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccnn1C ZINC000065563869 184366377 /nfs/dbraw/zinc/36/63/77/184366377.db2.gz NOVHFVQYDYKRND-UHFFFAOYSA-N 1 1 304.398 0.588 50 0 DCAAMO O=C1NCCN2CCN(C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC000067740673 296375775 /nfs/dbraw/zinc/37/57/75/296375775.db2.gz KBDKZFPQTQOJTL-HNNXBMFYSA-N 1 1 306.454 0.415 50 0 DCAAMO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCc1cnc[nH]1 ZINC000426429861 257249985 /nfs/dbraw/zinc/24/99/85/257249985.db2.gz UGYPSDMXVSBQPJ-LBPRGKRZSA-N 1 1 302.382 0.432 50 0 DCAAMO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CCc2nc[nH]c2C1 ZINC000426420033 257250692 /nfs/dbraw/zinc/25/06/92/257250692.db2.gz UBDWSXDPTKCNDD-LBPRGKRZSA-N 1 1 314.393 0.658 50 0 DCAAMO 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CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000089930502 395717141 /nfs/dbraw/zinc/71/71/41/395717141.db2.gz WCCWTWTVZRPQAJ-STQMWFEESA-N 1 1 308.382 0.014 50 0 DCAAMO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCCC1 ZINC000029166354 395697165 /nfs/dbraw/zinc/69/71/65/395697165.db2.gz RGPXCDMPGNZDSZ-LBPRGKRZSA-N 1 1 302.440 0.944 50 0 DCAAMO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCCC1 ZINC000029166354 395697166 /nfs/dbraw/zinc/69/71/66/395697166.db2.gz RGPXCDMPGNZDSZ-LBPRGKRZSA-N 1 1 302.440 0.944 50 0 DCAAMO C[NH+]1CCN(C(=O)COCc2nc(-c3cccnc3)no2)CC1 ZINC000096182092 395747097 /nfs/dbraw/zinc/74/70/97/395747097.db2.gz WMRFUZQSGVCOPC-UHFFFAOYSA-N 1 1 317.349 0.422 50 0 DCAAMO C[C@@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000107058930 395784856 /nfs/dbraw/zinc/78/48/56/395784856.db2.gz XDESDXJMZMBZCT-QMTHXVAHSA-N 1 1 323.418 0.201 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cnnc2)nc1 ZINC000097742921 395760328 /nfs/dbraw/zinc/76/03/28/395760328.db2.gz SCNYMNILJMAWOE-ZDUSSCGKSA-N 1 1 300.366 0.876 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)c1cn2nc(Cl)ccc2n1 ZINC000097938903 395761298 /nfs/dbraw/zinc/76/12/98/395761298.db2.gz SMMCQTFZTVRJBO-UHFFFAOYSA-N 1 1 323.784 0.835 50 0 DCAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCNc2cnccn2)C1 ZINC000046382408 395776208 /nfs/dbraw/zinc/77/62/08/395776208.db2.gz ABDFTQCYCVMHLW-CYBMUJFWSA-N 1 1 306.414 0.920 50 0 DCAAMO Cc1nc2ncnn2c(C)c1CCC(=O)NCC[N@H+](C)C1CC1 ZINC000048289664 395812403 /nfs/dbraw/zinc/81/24/03/395812403.db2.gz LPMIMBKVQPPDAU-UHFFFAOYSA-N 1 1 316.409 0.884 50 0 DCAAMO CCCNC(=O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 ZINC000051101853 395844450 /nfs/dbraw/zinc/84/44/50/395844450.db2.gz ALIGHWHUHKQFJB-ZDUSSCGKSA-N 1 1 319.471 0.552 50 0 DCAAMO CCCNC(=O)C[N@H+]1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 ZINC000051101853 395844453 /nfs/dbraw/zinc/84/44/53/395844453.db2.gz ALIGHWHUHKQFJB-ZDUSSCGKSA-N 1 1 319.471 0.552 50 0 DCAAMO Cc1ccc(C[N@H+](C)CC(=O)NCCc2noc(CO)n2)cc1 ZINC000219261414 395844567 /nfs/dbraw/zinc/84/45/67/395844567.db2.gz UMULEHZETKDPBA-UHFFFAOYSA-N 1 1 318.377 0.661 50 0 DCAAMO Cc1ccc(C[N@@H+](C)CC(=O)NCCc2noc(CO)n2)cc1 ZINC000219261414 395844569 /nfs/dbraw/zinc/84/45/69/395844569.db2.gz UMULEHZETKDPBA-UHFFFAOYSA-N 1 1 318.377 0.661 50 0 DCAAMO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000236756879 395897846 /nfs/dbraw/zinc/89/78/46/395897846.db2.gz MDUOITVUBJJOEV-XHSDSOJGSA-N 1 1 305.422 0.721 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)c1ccnc(-n2cncn2)c1 ZINC000054705687 395904505 /nfs/dbraw/zinc/90/45/05/395904505.db2.gz DWXAQAJUGWWFKK-UHFFFAOYSA-N 1 1 316.365 0.114 50 0 DCAAMO CC(C)Cn1cncc1CNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055089932 395910565 /nfs/dbraw/zinc/91/05/65/395910565.db2.gz YAHFHEBJFZHLJX-CYBMUJFWSA-N 1 1 321.425 0.353 50 0 DCAAMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC000225706099 395863133 /nfs/dbraw/zinc/86/31/33/395863133.db2.gz OUZJBNZSJQNHDK-OAHLLOKOSA-N 1 1 323.437 0.709 50 0 DCAAMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC000225706099 395863134 /nfs/dbraw/zinc/86/31/34/395863134.db2.gz OUZJBNZSJQNHDK-OAHLLOKOSA-N 1 1 323.437 0.709 50 0 DCAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)no1 ZINC000229296514 395873876 /nfs/dbraw/zinc/87/38/76/395873876.db2.gz NYERKXUJCINVLX-ZIAGYGMSSA-N 1 1 320.397 0.142 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N2CCO[C@@H](C)C2)n1 ZINC000229481132 395874641 /nfs/dbraw/zinc/87/46/41/395874641.db2.gz DPNTWEFHROFVDW-WFASDCNBSA-N 1 1 321.425 0.607 50 0 DCAAMO C[C@@](O)(C[N@@H+]1CCO[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000229499733 395874742 /nfs/dbraw/zinc/87/47/42/395874742.db2.gz DVDMNTXGLFFSEQ-HZPDHXFCSA-N 1 1 302.378 0.887 50 0 DCAAMO C[C@@](O)(C[N@H+]1CCO[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000229499733 395874746 /nfs/dbraw/zinc/87/47/46/395874746.db2.gz DVDMNTXGLFFSEQ-HZPDHXFCSA-N 1 1 302.378 0.887 50 0 DCAAMO C[C@@H](Cc1ccccc1)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000230284169 395880134 /nfs/dbraw/zinc/88/01/34/395880134.db2.gz ZDMPQBQIPVZAIM-ZFWWWQNUSA-N 1 1 301.390 0.508 50 0 DCAAMO C[N@H+]1CCC[C@H](C(=O)NCc2csc(N3CCOCC3)n2)C1 ZINC000230570092 395881910 /nfs/dbraw/zinc/88/19/10/395881910.db2.gz SNHDFVSKMDHMGO-LBPRGKRZSA-N 1 1 324.450 0.938 50 0 DCAAMO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000248119916 395982533 /nfs/dbraw/zinc/98/25/33/395982533.db2.gz JUOBMIYVMTXKKS-MGPQQGTHSA-N 1 1 311.451 0.993 50 0 DCAAMO CCOCC[N@@H+]1CCN(CC(=O)NCc2ccccn2)C[C@H]1C ZINC000248320383 395984597 /nfs/dbraw/zinc/98/45/97/395984597.db2.gz SBPIAFAETVKGNM-OAHLLOKOSA-N 1 1 320.437 0.740 50 0 DCAAMO CCOCC[N@H+]1CCN(CC(=O)NCc2ccccn2)C[C@H]1C ZINC000248320383 395984598 /nfs/dbraw/zinc/98/45/98/395984598.db2.gz SBPIAFAETVKGNM-OAHLLOKOSA-N 1 1 320.437 0.740 50 0 DCAAMO CS(=O)(=O)NC[C@H]1CC[N@H+](C2CSCCSC2)C1 ZINC000067676397 396031054 /nfs/dbraw/zinc/03/10/54/396031054.db2.gz KXDURDYHSMXCKI-SNVBAGLBSA-N 1 1 310.510 0.706 50 0 DCAAMO 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ZINC000075403554 396180055 /nfs/dbraw/zinc/18/00/55/396180055.db2.gz NJAAGRARRLPEKW-KBPBESRZSA-N 1 1 317.389 0.866 50 0 DCAAMO CC(C)[N@@H+]1C[C@H](NS(=O)(=O)N(C)C2CCOCC2)[C@@H](C)C1 ZINC000078899191 396257121 /nfs/dbraw/zinc/25/71/21/396257121.db2.gz ZNPKSGCMQXNTCD-JSGCOSHPSA-N 1 1 319.471 0.660 50 0 DCAAMO COC[C@@H](C)[NH+]1CCN(C(=O)COc2c(C)nn(C)c2C)CC1 ZINC000079101776 396261764 /nfs/dbraw/zinc/26/17/64/396261764.db2.gz XBUSRHWVNPRNDF-GFCCVEGCSA-N 1 1 324.425 0.595 50 0 DCAAMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077376328 396220099 /nfs/dbraw/zinc/22/00/99/396220099.db2.gz DKLVSJXMUCGMET-CYBMUJFWSA-N 1 1 321.425 0.063 50 0 DCAAMO Cc1cc(C)n(CC[N@@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000084104728 396318664 /nfs/dbraw/zinc/31/86/64/396318664.db2.gz UTAWKGRNENGKHI-MRXNPFEDSA-N 1 1 319.409 0.905 50 0 DCAAMO COc1cccc(CNC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c1 ZINC000190808211 396411597 /nfs/dbraw/zinc/41/15/97/396411597.db2.gz AFVUBKBRORSHBT-QWHCGFSZSA-N 1 1 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ZINC000023584592 182363764 /nfs/dbraw/zinc/36/37/64/182363764.db2.gz LUBPDQIFMHBAHA-UHFFFAOYSA-N 1 1 322.409 0.786 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)nc1 ZINC000040288022 183051843 /nfs/dbraw/zinc/05/18/43/183051843.db2.gz ZWYFSRZZCZGNGF-LBPRGKRZSA-N 1 1 306.366 0.629 50 0 DCAAMO CC1CC[NH+](CCNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000044969450 183469160 /nfs/dbraw/zinc/46/91/60/183469160.db2.gz DFDXPDBYGQTEAH-ZDUSSCGKSA-N 1 1 317.455 0.547 50 0 DCAAMO COC(=O)CC1CC[NH+](Cc2oc(CO)cc(=O)c2O)CC1 ZINC000062001677 184200399 /nfs/dbraw/zinc/20/03/99/184200399.db2.gz ILHILIMMVKIQMI-UHFFFAOYSA-N 1 1 311.334 0.613 50 0 biogenic DCAAMO Cc1nc(C)c(CC(=O)N2CCN3CC[N@H+](C)C[C@@H]3C2)s1 ZINC000065372040 184330217 /nfs/dbraw/zinc/33/02/17/184330217.db2.gz DHIFFOKYGMGXTA-CYBMUJFWSA-N 1 1 308.451 0.761 50 0 DCAAMO C[C@@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC000065427600 184343560 /nfs/dbraw/zinc/34/35/60/184343560.db2.gz YPTMYIIXMXQETA-NWDGAFQWSA-N 1 1 303.428 0.299 50 0 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/nfs/dbraw/zinc/68/87/97/395688797.db2.gz WCYJRFGPPSTHIM-JTQLQIEISA-N 1 1 317.349 0.762 50 0 DCAAMO OCC[NH+]1CCN(c2nncc(-c3ccccc3F)n2)CC1 ZINC000020998008 395691528 /nfs/dbraw/zinc/69/15/28/395691528.db2.gz UPNYDNGPDMPKHX-UHFFFAOYSA-N 1 1 303.341 0.792 50 0 DCAAMO CC[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000030144089 395702033 /nfs/dbraw/zinc/70/20/33/395702033.db2.gz WDXLMZPGTSUMLI-JTQLQIEISA-N 1 1 320.393 0.758 50 0 DCAAMO CC[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000030144089 395702036 /nfs/dbraw/zinc/70/20/36/395702036.db2.gz WDXLMZPGTSUMLI-JTQLQIEISA-N 1 1 320.393 0.758 50 0 DCAAMO Cc1[nH+]ccn1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000030697755 395703998 /nfs/dbraw/zinc/70/39/98/395703998.db2.gz NWJCTMGOTWNIIE-UHFFFAOYSA-N 1 1 319.365 0.723 50 0 DCAAMO CCc1nc(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)no1 ZINC000089290013 395709765 /nfs/dbraw/zinc/70/97/65/395709765.db2.gz JSFJQVMVZMBNGN-GFCCVEGCSA-N 1 1 307.398 0.546 50 0 DCAAMO NC(=O)NC[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000032935670 395715148 /nfs/dbraw/zinc/71/51/48/395715148.db2.gz SRZJJDKEPCGFAC-GFCCVEGCSA-N 1 1 322.384 0.822 50 0 DCAAMO NC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000032935670 395715151 /nfs/dbraw/zinc/71/51/51/395715151.db2.gz SRZJJDKEPCGFAC-GFCCVEGCSA-N 1 1 322.384 0.822 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(Cc3ncc[nH]3)C[C@H]2C)CC1 ZINC000089937264 395717169 /nfs/dbraw/zinc/71/71/69/395717169.db2.gz DNCHFYDQPFATCK-HIFRSBDPSA-N 1 1 305.426 0.784 50 0 DCAAMO CC[NH+]1CCN(C(=O)Cn2cnc3oc(C)c(C)c3c2=O)CC1 ZINC000035378358 395720049 /nfs/dbraw/zinc/72/00/49/395720049.db2.gz XNPTYTAWWKBUNL-UHFFFAOYSA-N 1 1 318.377 0.770 50 0 DCAAMO O=C(c1cnn2cccnc12)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000084614906 395698372 /nfs/dbraw/zinc/69/83/72/395698372.db2.gz NVERGPBCQGIPSU-KGLIPLIRSA-N 1 1 315.377 0.401 50 0 DCAAMO CC[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000084735661 395698952 /nfs/dbraw/zinc/69/89/52/395698952.db2.gz 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395783796 /nfs/dbraw/zinc/78/37/96/395783796.db2.gz QLYQXQGVVKPKLK-CVEARBPZSA-N 1 1 319.409 0.458 50 0 DCAAMO O[C@@H]1CN(CCN2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000108402080 395788601 /nfs/dbraw/zinc/78/86/01/395788601.db2.gz WUXUALHWKFMQCU-GOSISDBHSA-N 1 1 319.449 0.497 50 0 DCAAMO O[C@H]1CN(Cc2ccccc2)CC[N@H+](CCN2CCOCC2)C1 ZINC000108402080 395788605 /nfs/dbraw/zinc/78/86/05/395788605.db2.gz WUXUALHWKFMQCU-GOSISDBHSA-N 1 1 319.449 0.497 50 0 DCAAMO O[C@H]1CN(Cc2ccccc2)CC[N@@H+](CCN2CCOCC2)C1 ZINC000108402080 395788611 /nfs/dbraw/zinc/78/86/11/395788611.db2.gz WUXUALHWKFMQCU-GOSISDBHSA-N 1 1 319.449 0.497 50 0 DCAAMO CN(C)C(=O)N1CC[N@H+](CCOCc2ccccc2)C[C@@H](O)C1 ZINC000097610262 395759111 /nfs/dbraw/zinc/75/91/11/395759111.db2.gz HTWAUZLJANIZKK-MRXNPFEDSA-N 1 1 321.421 0.863 50 0 DCAAMO CN(C)C(=O)N1CC[N@@H+](CCOCc2ccccc2)C[C@@H](O)C1 ZINC000097610262 395759112 /nfs/dbraw/zinc/75/91/12/395759112.db2.gz HTWAUZLJANIZKK-MRXNPFEDSA-N 1 1 321.421 0.863 50 0 DCAAMO 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/nfs/dbraw/zinc/04/70/49/396047049.db2.gz HQFVOSOXLBMAQP-MKBNYLNASA-N 1 1 324.425 0.553 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)NCc2ccccc2F)CC1 ZINC000069652568 396086345 /nfs/dbraw/zinc/08/63/45/396086345.db2.gz YZBSBLDQJFFDEU-CYBMUJFWSA-N 1 1 309.385 0.440 50 0 DCAAMO COCc1ccccc1CNC(=O)CN1CC[NH+](CCO)CC1 ZINC000069773429 396090346 /nfs/dbraw/zinc/09/03/46/396090346.db2.gz KQNMYDZGKVFVPH-UHFFFAOYSA-N 1 1 321.421 0.059 50 0 DCAAMO Cc1ccc(CN(C)C(=O)CN2CC[NH+](CCO)CC2)c(C)c1 ZINC000069773115 396090412 /nfs/dbraw/zinc/09/04/12/396090412.db2.gz SPPPFRBHASCZTH-UHFFFAOYSA-N 1 1 319.449 0.872 50 0 DCAAMO Cn1cc([C@H]2C[C@@H]2C(=O)N2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000069844770 396091839 /nfs/dbraw/zinc/09/18/39/396091839.db2.gz ZBRQCBHYTWMNIG-KGLIPLIRSA-N 1 1 306.410 0.439 50 0 DCAAMO C[C@H](O)CN1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000069870697 396092773 /nfs/dbraw/zinc/09/27/73/396092773.db2.gz AIWBBFSBVHPFLT-HNNXBMFYSA-N 1 1 305.422 0.643 50 0 DCAAMO C[C@H](O)CN1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000069870697 396092775 /nfs/dbraw/zinc/09/27/75/396092775.db2.gz AIWBBFSBVHPFLT-HNNXBMFYSA-N 1 1 305.422 0.643 50 0 DCAAMO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)CC2 ZINC000069893000 396093525 /nfs/dbraw/zinc/09/35/25/396093525.db2.gz FWUIGUWZQOSWNL-CABCVRRESA-N 1 1 307.442 0.584 50 0 DCAAMO Cc1nc2n(n1)C[C@H](NC[C@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000069893000 396093528 /nfs/dbraw/zinc/09/35/28/396093528.db2.gz FWUIGUWZQOSWNL-CABCVRRESA-N 1 1 307.442 0.584 50 0 DCAAMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CCN2C(=O)CNC2=O)n1 ZINC000069949718 396096189 /nfs/dbraw/zinc/09/61/89/396096189.db2.gz WMHPMPVJBXNWPV-CYBMUJFWSA-N 1 1 320.397 0.301 50 0 DCAAMO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N(C)CCOC)C1 ZINC000069972362 396097395 /nfs/dbraw/zinc/09/73/95/396097395.db2.gz XWKCJHFLIQFWLJ-STQMWFEESA-N 1 1 300.399 0.755 50 0 DCAAMO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N(C)CCOC)C1 ZINC000069972362 396097396 /nfs/dbraw/zinc/09/73/96/396097396.db2.gz 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O=C(C[N@@H+]1CCCC[C@@H]1Cn1cncn1)NC1CCOCC1 ZINC000071876461 396121550 /nfs/dbraw/zinc/12/15/50/396121550.db2.gz IMAONNBBBOQCLK-CQSZACIVSA-N 1 1 307.398 0.428 50 0 DCAAMO O=C(C[N@H+]1CCCC[C@@H]1Cn1cncn1)NC1CCOCC1 ZINC000071876461 396121554 /nfs/dbraw/zinc/12/15/54/396121554.db2.gz IMAONNBBBOQCLK-CQSZACIVSA-N 1 1 307.398 0.428 50 0 DCAAMO C[C@@H](CNc1cncc(-n2cccn2)n1)[NH+]1CCN(C)CC1 ZINC000071899575 396124590 /nfs/dbraw/zinc/12/45/90/396124590.db2.gz YYXCXCHTDSZKKR-ZDUSSCGKSA-N 1 1 301.398 0.710 50 0 DCAAMO C[C@]1([C@@H]2CCC[N@@H+](CCc3ccccn3)C2)NC(=O)NC1=O ZINC000072300751 396130882 /nfs/dbraw/zinc/13/08/82/396130882.db2.gz JXUAMWMGEBPSCP-MLGOLLRUSA-N 1 1 302.378 0.934 50 0 DCAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1c[nH]c(=O)[nH]1 ZINC000069351805 396076101 /nfs/dbraw/zinc/07/61/01/396076101.db2.gz KBNXNOIRETZEFN-UHFFFAOYSA-N 1 1 308.382 0.468 50 0 DCAAMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000069464143 396079295 /nfs/dbraw/zinc/07/92/95/396079295.db2.gz 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ZINC000263818685 396234186 /nfs/dbraw/zinc/23/41/86/396234186.db2.gz WYSHEJXSXZNADN-UHFFFAOYSA-N 1 1 323.360 0.778 50 0 DCAAMO Cn1ccnc1CN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000078777048 396253602 /nfs/dbraw/zinc/25/36/02/396253602.db2.gz DNJTURBQSYAVEM-AWEZNQCLSA-N 1 1 305.426 0.549 50 0 DCAAMO C[C@@H]1CCN(C(=O)NC[C@@H](c2cnn(C)c2)[NH+](C)C)[C@H]1CO ZINC000190567288 396408459 /nfs/dbraw/zinc/40/84/59/396408459.db2.gz CHGQHSNMHPTCSG-XBFCOCLRSA-N 1 1 309.414 0.435 50 0 DCAAMO Cn1cccc1C(=O)C(=O)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000584885888 396632546 /nfs/dbraw/zinc/63/25/46/396632546.db2.gz FEWKESIXFOGVDX-CQSZACIVSA-N 1 1 319.405 0.513 50 0 DCAAMO Cn1cccc1C(=O)C(=O)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000584885888 396632549 /nfs/dbraw/zinc/63/25/49/396632549.db2.gz FEWKESIXFOGVDX-CQSZACIVSA-N 1 1 319.405 0.513 50 0 DCAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cnc2ccnn2c1C ZINC000584901708 396636904 /nfs/dbraw/zinc/63/69/04/396636904.db2.gz WMSJSZNULMVSBS-STQMWFEESA-N 1 1 303.366 0.487 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330366457 159164221 /nfs/dbraw/zinc/16/42/21/159164221.db2.gz RFCGPDBTGUDPJJ-LLVKDONJSA-N 1 1 301.416 0.266 50 0 DCAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCNC(=O)C2)cc1 ZINC000014043187 415151323 /nfs/dbraw/zinc/15/13/23/415151323.db2.gz RPFGBBVXTWBUBH-HNNXBMFYSA-N 1 1 317.389 0.791 50 0 DCAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCNC(=O)C2)cc1 ZINC000014043187 415151333 /nfs/dbraw/zinc/15/13/33/415151333.db2.gz RPFGBBVXTWBUBH-HNNXBMFYSA-N 1 1 317.389 0.791 50 0 DCAAMO O=C(C[NH+]1CCC(O)CC1)N1CCN(c2ccccn2)CC1 ZINC000010053401 415144041 /nfs/dbraw/zinc/14/40/41/415144041.db2.gz OUXYSUFNTTWYKV-UHFFFAOYSA-N 1 1 304.394 0.187 50 0 DCAAMO COC(=O)c1cc2occc2n1C[C@@H](O)C[NH+]1CCOCC1 ZINC000025758185 415165547 /nfs/dbraw/zinc/16/55/47/415165547.db2.gz PUSYXRLDKZFDPR-NSHDSACASA-N 1 1 308.334 0.714 50 0 DCAAMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(O)c2)CC1 ZINC000044901087 415231847 /nfs/dbraw/zinc/23/18/47/415231847.db2.gz 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ZINC000075602941 415447785 /nfs/dbraw/zinc/44/77/85/415447785.db2.gz INXDAPBHHMZOTB-ZDUSSCGKSA-N 1 1 315.377 0.406 50 0 DCAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000095954116 415563446 /nfs/dbraw/zinc/56/34/46/415563446.db2.gz ITBFUHAHNOTIFO-LLVKDONJSA-N 1 1 311.407 0.466 50 0 DCAAMO O=C(C[NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)N1CCOCC1 ZINC000096006515 415573184 /nfs/dbraw/zinc/57/31/84/415573184.db2.gz MNNXANWTBOMWDQ-ZDUSSCGKSA-N 1 1 316.760 0.961 50 0 DCAAMO CCCn1ncc(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)c1C ZINC000097076530 415582919 /nfs/dbraw/zinc/58/29/19/415582919.db2.gz HZNZLXFUJMKSLS-IRXDYDNUSA-N 1 1 322.453 0.869 50 0 DCAAMO CCCn1ncc(C[N@@H+]2CCCN([C@H]3COC[C@@H]3O)CC2)c1C ZINC000097076530 415582925 /nfs/dbraw/zinc/58/29/25/415582925.db2.gz HZNZLXFUJMKSLS-IRXDYDNUSA-N 1 1 322.453 0.869 50 0 DCAAMO CCCn1ncc(C[N@H+]2CCCN([C@H]3COC[C@@H]3O)CC2)c1C ZINC000097076530 415582929 /nfs/dbraw/zinc/58/29/29/415582929.db2.gz HZNZLXFUJMKSLS-IRXDYDNUSA-N 1 1 322.453 0.869 50 0 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/nfs/dbraw/zinc/07/09/00/416070900.db2.gz NATDMQANLDBYKI-LBPRGKRZSA-N 1 1 302.382 0.975 50 0 DCAAMO COCC[N@H+]1CCC[C@H](CNC(=O)c2cc(C)nc(N)n2)C1 ZINC000299798929 416071324 /nfs/dbraw/zinc/07/13/24/416071324.db2.gz PLKLADHDSBROMT-GFCCVEGCSA-N 1 1 307.398 0.455 50 0 DCAAMO Cc1cc(NC(=O)CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n(C)n1 ZINC000247021896 416332592 /nfs/dbraw/zinc/33/25/92/416332592.db2.gz CRUPMFZLSFREGK-OLZOCXBDSA-N 1 1 309.414 0.054 50 0 DCAAMO CC[N@H+]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CCOCC(F)F ZINC000252510191 416334557 /nfs/dbraw/zinc/33/45/57/416334557.db2.gz ZDIYFXSVQWQYBN-NWDGAFQWSA-N 1 1 306.353 0.980 50 0 DCAAMO O=C(CN1CCOCC1=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000240886264 416329991 /nfs/dbraw/zinc/32/99/91/416329991.db2.gz IOIHDCILCKECRD-DZGCQCFKSA-N 1 1 321.421 0.321 50 0 DCAAMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000241409030 416330135 /nfs/dbraw/zinc/33/01/35/416330135.db2.gz NDZKSJQLUUURKT-ARFHVFGLSA-N 1 1 309.454 0.918 50 0 DCAAMO 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JXJRUWORPCUDQF-UHFFFAOYSA-N 1 1 302.422 0.910 50 0 DCAAMO Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000583651697 416482113 /nfs/dbraw/zinc/48/21/13/416482113.db2.gz RJHCANKQWNUPNM-CYBMUJFWSA-N 1 1 312.439 0.752 50 0 DCAAMO NC(=O)[C@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000585117645 416518225 /nfs/dbraw/zinc/51/82/25/416518225.db2.gz PXGZECAJEAASNR-QMMMGPOBSA-N 1 1 324.182 0.799 50 0 DCAAMO Cc1cc([C@H]2CN(c3nc(N)nc(N)[nH+]3)CCO2)ccc1F ZINC000624075155 416951656 /nfs/dbraw/zinc/95/16/56/416951656.db2.gz YFLPIQFPVLIHDZ-LLVKDONJSA-N 1 1 304.329 0.722 50 0 DCAAMO CNc1cc([C@H]2C[C@@H](NC(=O)c3[nH]nnc3C)C2)[nH+]c(N)n1 ZINC000244858626 273975189 /nfs/dbraw/zinc/97/51/89/273975189.db2.gz VOUXLCFYKQICJQ-OCAPTIKFSA-N 1 1 302.342 0.203 50 0 DCAAMO C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3C)n(C)c1=O ZINC000009060117 275403860 /nfs/dbraw/zinc/40/38/60/275403860.db2.gz CLLMMEQDBCAATN-AATRIKPKSA-N 1 1 302.338 0.299 50 0 DCAAMO CC(=O)N[C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000042028298 278126481 /nfs/dbraw/zinc/12/64/81/278126481.db2.gz ZJZQWNIRUUNHTH-HUUCEWRRSA-N 1 1 313.442 0.620 50 0 DCAAMO CC[N@@H+](C)[C@H]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000225672108 279046143 /nfs/dbraw/zinc/04/61/43/279046143.db2.gz QUPDRQLOHZNCEX-ZDUSSCGKSA-N 1 1 308.426 0.877 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000069919179 288106124 /nfs/dbraw/zinc/10/61/24/288106124.db2.gz XSXODPNKOLEXCH-NSHDSACASA-N 1 1 312.332 0.871 50 0 DCAAMO C[NH+]1CCN(CC2(CNC(=O)c3ccc(CO)o3)CC2)CC1 ZINC000534588264 334293021 /nfs/dbraw/zinc/29/30/21/334293021.db2.gz DBVWLRGRIWWKDG-UHFFFAOYSA-N 1 1 307.394 0.529 50 0 DCAAMO CC[NH+]1CCN(C(=O)c2cnc(N3CCOCC3)nc2C)CC1 ZINC000021638734 545643499 /nfs/dbraw/zinc/64/34/99/545643499.db2.gz ALVUHDHEHPITGH-UHFFFAOYSA-N 1 1 319.409 0.399 50 0 DCAAMO COCC[N@H+]1CC[C@@H](N(Cc2nnc(C3CC3)n2C)C(C)=O)C1 ZINC000084671390 545702068 /nfs/dbraw/zinc/70/20/68/545702068.db2.gz DGLCNADAKMYFHS-CQSZACIVSA-N 1 1 321.425 0.762 50 0 DCAAMO 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/nfs/dbraw/zinc/23/93/31/257239331.db2.gz SRQBIPAUZVGXSN-KRWDZBQOSA-N 1 1 320.389 0.957 50 0 DCAAMO Cc1[nH+]ccn1[C@H](C)C(=O)N1CCC2(CC1)CN(C)C(=O)CO2 ZINC000426677694 257244193 /nfs/dbraw/zinc/24/41/93/257244193.db2.gz PQOHEWZWUALTAA-GFCCVEGCSA-N 1 1 320.393 0.602 50 0 DCAAMO CC(C)[N@H+]1CC[C@H](CN(C)C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000426490405 257248789 /nfs/dbraw/zinc/24/87/89/257248789.db2.gz FTQMEPBQEWCJLT-LLVKDONJSA-N 1 1 308.382 0.619 50 0 DCAAMO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC000025480232 395693539 /nfs/dbraw/zinc/69/35/39/395693539.db2.gz LXYZGDDVXFRMDT-ZDUSSCGKSA-N 1 1 305.378 0.344 50 0 DCAAMO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436614 395700203 /nfs/dbraw/zinc/70/02/03/395700203.db2.gz MMHAFRCIXGNLJY-CQSZACIVSA-N 1 1 318.373 0.944 50 0 DCAAMO C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@H]1C[N@@H+](C)CCO ZINC000085469929 395700872 /nfs/dbraw/zinc/70/08/72/395700872.db2.gz NPQSRTCSDOQAQD-HUUCEWRRSA-N 1 1 322.405 0.605 50 0 DCAAMO 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RDWXBOXVQALVDI-GXTWGEPZSA-N 1 1 315.373 0.824 50 0 DCAAMO Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000036038045 395721991 /nfs/dbraw/zinc/72/19/91/395721991.db2.gz RDWXBOXVQALVDI-GXTWGEPZSA-N 1 1 315.373 0.824 50 0 DCAAMO CCN1C(=O)N[C@](C)([C@H]2CCC[N@@H+](CCn3cncn3)C2)C1=O ZINC000095402604 395740333 /nfs/dbraw/zinc/74/03/33/395740333.db2.gz HTRKHEFNVIMKFV-SWLSCSKDSA-N 1 1 320.397 0.321 50 0 DCAAMO CCc1nc(CN(C)[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)no1 ZINC000095402654 395740455 /nfs/dbraw/zinc/74/04/55/395740455.db2.gz HFMVXBUTIGHDGH-RYUDHWBXSA-N 1 1 309.414 0.615 50 0 DCAAMO C[N@H+](CCn1cnnc1)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000096466228 395753867 /nfs/dbraw/zinc/75/38/67/395753867.db2.gz DEIODAIUSBAQII-AWEZNQCLSA-N 1 1 315.377 0.330 50 0 DCAAMO C[N@@H+](CCn1cnnc1)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000096466228 395753869 /nfs/dbraw/zinc/75/38/69/395753869.db2.gz DEIODAIUSBAQII-AWEZNQCLSA-N 1 1 315.377 0.330 50 0 DCAAMO c1cc(-c2nn[nH]n2)ccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097272373 395756712 /nfs/dbraw/zinc/75/67/12/395756712.db2.gz YDFOMCIUZLDKKE-HNNXBMFYSA-N 1 1 313.409 0.346 50 0 DCAAMO C[C@]1(O)CC[N@H+](C2CCN(C(=O)c3ccccn3)CC2)C[C@@H]1O ZINC000097294691 395757141 /nfs/dbraw/zinc/75/71/41/395757141.db2.gz ZRTPBFMHUNHJJE-RDJZCZTQSA-N 1 1 319.405 0.504 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000107058249 395784469 /nfs/dbraw/zinc/78/44/69/395784469.db2.gz DOSFRJLIXYJCDD-FZMZJTMJSA-N 1 1 307.398 0.362 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000107058249 395784474 /nfs/dbraw/zinc/78/44/74/395784474.db2.gz DOSFRJLIXYJCDD-FZMZJTMJSA-N 1 1 307.398 0.362 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@@H]2C)CC1 ZINC000107058139 395784750 /nfs/dbraw/zinc/78/47/50/395784750.db2.gz UGRHNRTYNZKHCB-WFASDCNBSA-N 1 1 306.410 0.967 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3ncc(C)o3)C[C@@H]2C)CC1 ZINC000107058139 395784752 /nfs/dbraw/zinc/78/47/52/395784752.db2.gz UGRHNRTYNZKHCB-WFASDCNBSA-N 1 1 306.410 0.967 50 0 DCAAMO C[N@H+]1[C@@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000112980745 395826633 /nfs/dbraw/zinc/82/66/33/395826633.db2.gz STECJAGHUSJQJN-KLOLGFOXSA-N 1 1 303.358 0.918 50 0 DCAAMO C[N@@H+]1[C@@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000112980745 395826635 /nfs/dbraw/zinc/82/66/35/395826635.db2.gz STECJAGHUSJQJN-KLOLGFOXSA-N 1 1 303.358 0.918 50 0 DCAAMO CCc1[nH+]ccn1CCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000223514459 395855993 /nfs/dbraw/zinc/85/59/93/395855993.db2.gz RGYVARBQEAVXLZ-UHFFFAOYSA-N 1 1 321.381 0.282 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCCNc2cccnc2)C1 ZINC000055211779 395914386 /nfs/dbraw/zinc/91/43/86/395914386.db2.gz RYDSMYRBDFXIAM-CYBMUJFWSA-N 1 1 319.409 0.197 50 0 DCAAMO Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000226814766 395867400 /nfs/dbraw/zinc/86/74/00/395867400.db2.gz RDWXBOXVQALVDI-OCCSQVGLSA-N 1 1 315.373 0.824 50 0 DCAAMO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000226814766 395867403 /nfs/dbraw/zinc/86/74/03/395867403.db2.gz RDWXBOXVQALVDI-OCCSQVGLSA-N 1 1 315.373 0.824 50 0 DCAAMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000229554606 395875336 /nfs/dbraw/zinc/87/53/36/395875336.db2.gz KRSKZRVPBPTOCK-OWCLPIDISA-N 1 1 309.410 0.904 50 0 DCAAMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000229594289 395875577 /nfs/dbraw/zinc/87/55/77/395875577.db2.gz WNFOXZFGTKIXAK-QWHCGFSZSA-N 1 1 324.425 0.684 50 0 DCAAMO O[C@@H](CN1CCOCC1)C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000247800970 395978853 /nfs/dbraw/zinc/97/88/53/395978853.db2.gz VKGPXTOMZOFCAG-HOTGVXAUSA-N 1 1 308.426 0.431 50 0 DCAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1CO ZINC000253414489 396028076 /nfs/dbraw/zinc/02/80/76/396028076.db2.gz XQKAYQRCSUBWTL-LSDHHAIUSA-N 1 1 320.389 0.177 50 0 DCAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1CO ZINC000253414202 396028165 /nfs/dbraw/zinc/02/81/65/396028165.db2.gz WTFTVMBDJZMGNO-JKSUJKDBSA-N 1 1 306.406 0.859 50 0 DCAAMO Cc1cc(=O)n(CC[N@H+](CCO)Cc2ccccc2F)c(=O)[nH]1 ZINC000253537047 396030410 /nfs/dbraw/zinc/03/04/10/396030410.db2.gz VSBOFZHRKBJMGK-UHFFFAOYSA-N 1 1 321.352 0.891 50 0 DCAAMO Cc1cc(=O)n(CC[N@@H+](CCO)Cc2ccccc2F)c(=O)[nH]1 ZINC000253537047 396030413 /nfs/dbraw/zinc/03/04/13/396030413.db2.gz VSBOFZHRKBJMGK-UHFFFAOYSA-N 1 1 321.352 0.891 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)CC1 ZINC000257366476 396047130 /nfs/dbraw/zinc/04/71/30/396047130.db2.gz ZZLMRJKDPZXNCX-TYNCELHUSA-N 1 1 321.425 0.923 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)CC1 ZINC000257366476 396047132 /nfs/dbraw/zinc/04/71/32/396047132.db2.gz ZZLMRJKDPZXNCX-TYNCELHUSA-N 1 1 321.425 0.923 50 0 DCAAMO CCCn1ncnc1[C@H](C)NC(=O)CC[NH+]1CCN(C)CC1 ZINC000252482232 396019871 /nfs/dbraw/zinc/01/98/71/396019871.db2.gz DBBNGQPKBTZCPQ-ZDUSSCGKSA-N 1 1 308.430 0.503 50 0 DCAAMO CCc1nccn1CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000252483655 396019944 /nfs/dbraw/zinc/01/99/44/396019944.db2.gz FGOYDJHTZXBNMC-UHFFFAOYSA-N 1 1 300.428 0.413 50 0 DCAAMO COCCCNC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(C)=O ZINC000069705836 396087982 /nfs/dbraw/zinc/08/79/82/396087982.db2.gz XVNVWOKZAYTFST-HUUCEWRRSA-N 1 1 311.426 0.614 50 0 DCAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)Cc2cccs2)CC1 ZINC000069739951 396088384 /nfs/dbraw/zinc/08/83/84/396088384.db2.gz QZTHIPBABQFXGF-ZDUSSCGKSA-N 1 1 312.435 0.832 50 0 DCAAMO C[C@H](O)CN1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000069742769 396089228 /nfs/dbraw/zinc/08/92/28/396089228.db2.gz SKFRMLXYYQTXGR-HOCLYGCPSA-N 1 1 305.422 0.814 50 0 DCAAMO C[C@H](c1cccs1)N(C)C(=O)CN1CC[NH+](CCO)CC1 ZINC000069772119 396089470 /nfs/dbraw/zinc/08/94/70/396089470.db2.gz TYFFQFRVRPNLSW-CYBMUJFWSA-N 1 1 311.451 0.877 50 0 DCAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000069846236 396091928 /nfs/dbraw/zinc/09/19/28/396091928.db2.gz FEXSPIZJVZQLQL-HNNXBMFYSA-N 1 1 321.425 0.466 50 0 DCAAMO c1nnc2ccc(N3CC[NH+](C[C@@H]4CCCCO4)CC3)nn12 ZINC000069871072 396092716 /nfs/dbraw/zinc/09/27/16/396092716.db2.gz OUIROYZLAXHMLY-ZDUSSCGKSA-N 1 1 302.382 0.815 50 0 DCAAMO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H]2Cn2cccn2)C1=O ZINC000069930294 396095365 /nfs/dbraw/zinc/09/53/65/396095365.db2.gz BKJKSTCNTXXJDX-GFCCVEGCSA-N 1 1 305.382 0.678 50 0 DCAAMO CCC(=O)N1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000071817068 396116170 /nfs/dbraw/zinc/11/61/70/396116170.db2.gz KXMIDBWIXUDURX-UHFFFAOYSA-N 1 1 310.398 0.261 50 0 DCAAMO CCC(=O)N1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000071817068 396116171 /nfs/dbraw/zinc/11/61/71/396116171.db2.gz KXMIDBWIXUDURX-UHFFFAOYSA-N 1 1 310.398 0.261 50 0 DCAAMO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCN1CCCC1=O ZINC000071824668 396117318 /nfs/dbraw/zinc/11/73/18/396117318.db2.gz SMKIVYMQXHMRSB-HNNXBMFYSA-N 1 1 301.390 0.911 50 0 DCAAMO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCCN1CCCC1=O ZINC000071824668 396117319 /nfs/dbraw/zinc/11/73/19/396117319.db2.gz SMKIVYMQXHMRSB-HNNXBMFYSA-N 1 1 301.390 0.911 50 0 DCAAMO C[C@H](O)C[NH+]1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000071871240 396120453 /nfs/dbraw/zinc/12/04/53/396120453.db2.gz MJHAPLMWHQZDIN-ZDUSSCGKSA-N 1 1 307.398 0.194 50 0 DCAAMO O=C(C[N@@H+]1CCCC[C@H]1Cn1cncn1)NC1CCOCC1 ZINC000071876460 396121865 /nfs/dbraw/zinc/12/18/65/396121865.db2.gz IMAONNBBBOQCLK-AWEZNQCLSA-N 1 1 307.398 0.428 50 0 DCAAMO O=C(C[N@H+]1CCCC[C@H]1Cn1cncn1)NC1CCOCC1 ZINC000071876460 396121868 /nfs/dbraw/zinc/12/18/68/396121868.db2.gz IMAONNBBBOQCLK-AWEZNQCLSA-N 1 1 307.398 0.428 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCNS(C)(=O)=O ZINC000071880423 396122839 /nfs/dbraw/zinc/12/28/39/396122839.db2.gz YYRULRZZUZDEDP-UONOGXRCSA-N 1 1 317.455 0.401 50 0 DCAAMO COc1c([C@H]2CCC[N@@H+]2CCN2C(=O)CNC2=O)c(C)nn1C ZINC000072253750 396127852 /nfs/dbraw/zinc/12/78/52/396127852.db2.gz VZQLMBWGTLAZHV-LLVKDONJSA-N 1 1 321.381 0.426 50 0 DCAAMO COc1c([C@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)c(C)nn1C ZINC000072253750 396127855 /nfs/dbraw/zinc/12/78/55/396127855.db2.gz VZQLMBWGTLAZHV-LLVKDONJSA-N 1 1 321.381 0.426 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072255164 396128294 /nfs/dbraw/zinc/12/82/94/396128294.db2.gz MGGUPPAMTZUNDQ-LBPRGKRZSA-N 1 1 300.428 0.871 50 0 DCAAMO CC[C@@H]1CN(CC(=O)Nc2cccnc2)CC[N@H+]1C[C@@H](C)O ZINC000072279815 396129064 /nfs/dbraw/zinc/12/90/64/396129064.db2.gz WDKJUTQEDDIQNB-UKRRQHHQSA-N 1 1 306.410 0.797 50 0 DCAAMO COCCC[N@@H+](C)CCNC(=O)CNC(=O)CCC(C)C ZINC000072295862 396129819 /nfs/dbraw/zinc/12/98/19/396129819.db2.gz DPUHPQVMVZVMAB-UHFFFAOYSA-N 1 1 301.431 0.623 50 0 DCAAMO C[NH+]1CCN(C(=O)CCCn2nnc(-c3ccccc3)n2)CC1 ZINC000069443027 396078888 /nfs/dbraw/zinc/07/88/88/396078888.db2.gz AEBWUNSZOIGOPB-UHFFFAOYSA-N 1 1 314.393 0.894 50 0 DCAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2C[C@H](O)Cn2cccn2)n1 ZINC000069521345 396082178 /nfs/dbraw/zinc/08/21/78/396082178.db2.gz GVDBLGYOFHHGLO-CABCVRRESA-N 1 1 304.398 0.617 50 0 DCAAMO CC(=O)N1CCCC[C@@H]1CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000075603019 396182464 /nfs/dbraw/zinc/18/24/64/396182464.db2.gz VIKVLTMTGDSQFW-DZGCQCFKSA-N 1 1 311.426 0.303 50 0 DCAAMO CCn1ccnc1CN1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000076055318 396194877 /nfs/dbraw/zinc/19/48/77/396194877.db2.gz XGUPLTHIODVOLO-GOEBONIOSA-N 1 1 319.453 0.887 50 0 DCAAMO CCn1ccnc1C[N@@H+]1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000076055318 396194879 /nfs/dbraw/zinc/19/48/79/396194879.db2.gz XGUPLTHIODVOLO-GOEBONIOSA-N 1 1 319.453 0.887 50 0 DCAAMO CCn1ccnc1C[N@H+]1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000076055318 396194882 /nfs/dbraw/zinc/19/48/82/396194882.db2.gz XGUPLTHIODVOLO-GOEBONIOSA-N 1 1 319.453 0.887 50 0 DCAAMO CCn1cc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cn1 ZINC000076058701 396194933 /nfs/dbraw/zinc/19/49/33/396194933.db2.gz HSYBLVFYODAFGQ-AAEUAGOBSA-N 1 1 300.428 0.910 50 0 DCAAMO C[C@@]1([C@H]2CCC[N@@H+](CCc3ccncc3)C2)NC(=O)NC1=O ZINC000076059295 396195889 /nfs/dbraw/zinc/19/58/89/396195889.db2.gz FFRUIKUBULLSJD-BBRMVZONSA-N 1 1 302.378 0.934 50 0 DCAAMO Cc1noc(CCCC(=O)NCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000044939685 415233791 /nfs/dbraw/zinc/23/37/91/415233791.db2.gz KYTQMWWWCPAKOL-VXGBXAGGSA-N 1 1 310.398 0.926 50 0 DCAAMO O=C(CC[N@H+](CCO)CCCO)N1CCc2sccc2C1 ZINC000069874818 415403668 /nfs/dbraw/zinc/40/36/68/415403668.db2.gz CRGOQRPKKQPQFJ-UHFFFAOYSA-N 1 1 312.435 0.700 50 0 DCAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCn3cncn3)CC2)C[C@H](C)O1 ZINC000072436657 415412630 /nfs/dbraw/zinc/41/26/30/415412630.db2.gz FQVHTDMCPWYOCP-OKILXGFUSA-N 1 1 321.425 0.768 50 0 DCAAMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C(CO)CO)C2)cc1 ZINC000067834359 415384533 /nfs/dbraw/zinc/38/45/33/415384533.db2.gz RKGVEUNBIXINBK-ZDUSSCGKSA-N 1 1 307.394 0.792 50 0 DCAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000075132259 415437645 /nfs/dbraw/zinc/43/76/45/415437645.db2.gz HOADHHIBNSMABQ-GFCCVEGCSA-N 1 1 305.382 0.726 50 0 DCAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000075132259 415437659 /nfs/dbraw/zinc/43/76/59/415437659.db2.gz HOADHHIBNSMABQ-GFCCVEGCSA-N 1 1 305.382 0.726 50 0 DCAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CNC(=O)N2)cc1F ZINC000089735870 415521935 /nfs/dbraw/zinc/52/19/35/415521935.db2.gz QXKARVDUCWHBKU-GFCCVEGCSA-N 1 1 317.324 0.617 50 0 DCAAMO CN1CC[C@]2(CN(C(=O)N3CCOCC3)CC[N@H+]2C)CCC1=O ZINC000095358948 415552268 /nfs/dbraw/zinc/55/22/68/415552268.db2.gz ZEMSGXPLSPLNGT-INIZCTEOSA-N 1 1 324.425 0.067 50 0 DCAAMO CCN1C[C@H](c2nc(CN3CC[NH+](C)CC3)no2)CCC1=O ZINC000095368084 415552382 /nfs/dbraw/zinc/55/23/82/415552382.db2.gz XJVGRNAGWAINEF-GFCCVEGCSA-N 1 1 307.398 0.543 50 0 DCAAMO C[C@H](C(=O)N1CCC[C@H]1Cn1cccn1)N1CC[NH+](C)CC1 ZINC000095364975 415554186 /nfs/dbraw/zinc/55/41/86/415554186.db2.gz SVHMWPKVSMIIEJ-CABCVRRESA-N 1 1 305.426 0.510 50 0 DCAAMO Cc1nc2ncccc2c(NCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000095387427 415558363 /nfs/dbraw/zinc/55/83/63/415558363.db2.gz OWXAVRFYUMUZAW-GFCCVEGCSA-N 1 1 314.393 0.942 50 0 DCAAMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccnn2C)C1 ZINC000096009255 415572867 /nfs/dbraw/zinc/57/28/67/415572867.db2.gz LFCDOXOSGOEENP-JSGCOSHPSA-N 1 1 314.455 0.612 50 0 DCAAMO CC(C)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 ZINC000097033995 415580440 /nfs/dbraw/zinc/58/04/40/415580440.db2.gz PWCDIFIBTOUGQD-AWEZNQCLSA-N 1 1 301.390 0.607 50 0 DCAAMO CC(C)(C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 ZINC000097033995 415580445 /nfs/dbraw/zinc/58/04/45/415580445.db2.gz PWCDIFIBTOUGQD-AWEZNQCLSA-N 1 1 301.390 0.607 50 0 DCAAMO C[N@H+]1CCN(c2nc3c(cc2C(N)=O)CCC3)C[C@H]1CCO ZINC000106949689 415655097 /nfs/dbraw/zinc/65/50/97/415655097.db2.gz LJQGVRTXVYHGSL-GFCCVEGCSA-N 1 1 304.394 0.172 50 0 DCAAMO CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCc1ccccn1 ZINC000299792474 416069123 /nfs/dbraw/zinc/06/91/23/416069123.db2.gz FZEKNBPPDCCSMW-AWEZNQCLSA-N 1 1 304.394 0.341 50 0 DCAAMO CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCc1ccccn1 ZINC000299792474 416069127 /nfs/dbraw/zinc/06/91/27/416069127.db2.gz FZEKNBPPDCCSMW-AWEZNQCLSA-N 1 1 304.394 0.341 50 0 DCAAMO CCn1ccnc1CN1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000239636988 416330142 /nfs/dbraw/zinc/33/01/42/416330142.db2.gz BHZZLOZWTRJPAA-HZPDHXFCSA-N 1 1 321.469 0.740 50 0 DCAAMO CCN1CC[C@@]2(CN(Cc3nnc(C)o3)CC[N@H+]2C)CCC1=O ZINC000091620280 276221466 /nfs/dbraw/zinc/22/14/66/276221466.db2.gz DSNVXGCVDCXFND-MRXNPFEDSA-N 1 1 321.425 0.897 50 0 DCAAMO CC[NH2+][C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530620 279508487 /nfs/dbraw/zinc/50/84/87/279508487.db2.gz IAVUPMFITXYVAF-HTRCEHHLSA-N 1 1 324.449 0.612 50 0 in-vitro DCAAMO COc1cccc(C(=O)N2CCOC[C@@H]2C[N@@H+](C)CCO)c1 ZINC000085469804 295285377 /nfs/dbraw/zinc/28/53/77/295285377.db2.gz SHODMCQEVFAVHW-AWEZNQCLSA-N 1 1 308.378 0.460 50 0 DCAAMO Nc1cc[nH+]c(N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)n1 ZINC000082121615 295365770 /nfs/dbraw/zinc/36/57/70/295365770.db2.gz PZGWESJJKDDPKB-INIZCTEOSA-N 1 1 319.409 0.650 50 0 DCAAMO CC(=O)NCc1cc2n(n1)CCN(C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244633482 526799405 /nfs/dbraw/zinc/79/94/05/526799405.db2.gz GDRVEIIHXCOYTJ-OKILXGFUSA-N 1 1 305.426 0.852 50 0 DCAAMO Cc1cc(C(=O)N2CCN([C@H](C)C[NH+]3CCOCC3)CC2)on1 ZINC000091598151 545718925 /nfs/dbraw/zinc/71/89/25/545718925.db2.gz WDMWMYOPWQMPRH-CQSZACIVSA-N 1 1 322.409 0.462 50 0 DCAAMO Cc1cc(C(=O)N2CCN([C@@H](C)C[NH+]3CCOCC3)CC2)on1 ZINC000091598150 545719201 /nfs/dbraw/zinc/71/92/01/545719201.db2.gz WDMWMYOPWQMPRH-AWEZNQCLSA-N 1 1 322.409 0.462 50 0 DCAAMO CCc1nc(S(=O)(=O)NC[C@H]2CC[N@@H+](CCOC)C2)c[nH]1 ZINC000670455603 547097738 /nfs/dbraw/zinc/09/77/38/547097738.db2.gz IGENUYYSGHRAIJ-LLVKDONJSA-N 1 1 316.427 0.219 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CN1CCC(c2nnc(CO)n2C)CC1 ZINC000244602091 660602317 /nfs/dbraw/zinc/60/23/17/660602317.db2.gz DXJKMDHYEVGKGO-CQSZACIVSA-N 1 1 307.442 0.971 50 0 DCAAMO CCN1CCC[C@@H]1C[NH+]1CCC(c2nnc(CO)n2C)CC1 ZINC000244602091 660602318 /nfs/dbraw/zinc/60/23/18/660602318.db2.gz DXJKMDHYEVGKGO-CQSZACIVSA-N 1 1 307.442 0.971 50 0 DCAAMO CC[C@@H]1CN(C(=O)c2c[nH]c3ncnn3c2=O)CC[N@H+]1C(C)C ZINC000101896440 658321405 /nfs/dbraw/zinc/32/14/05/658321405.db2.gz SASVEBUSKQWRGQ-LLVKDONJSA-N 1 1 318.381 0.362 50 0 DCAAMO NC(=O)[C@@H]1CCC[N@@H+](CCn2cnc3sccc3c2=O)C1 ZINC000032565384 664684512 /nfs/dbraw/zinc/68/45/12/664684512.db2.gz KCURPLBLRILBNE-SNVBAGLBSA-N 1 1 306.391 0.655 50 0 DCAAMO Cn1ccnc1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)C1CC1 ZINC000952965891 685599279 /nfs/dbraw/zinc/59/92/79/685599279.db2.gz UOJTTZAUGQPGQS-TZMCWYRMSA-N 1 1 319.409 0.185 50 0 DCAAMO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000067588157 685068903 /nfs/dbraw/zinc/06/89/03/685068903.db2.gz CXQVTTMQKSMKOV-GJZGRUSLSA-N 1 1 319.409 0.154 50 0 DCAAMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000067588157 685068909 /nfs/dbraw/zinc/06/89/09/685068909.db2.gz CXQVTTMQKSMKOV-GJZGRUSLSA-N 1 1 319.409 0.154 50 0 DCAAMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000067588157 685068915 /nfs/dbraw/zinc/06/89/15/685068915.db2.gz CXQVTTMQKSMKOV-GJZGRUSLSA-N 1 1 319.409 0.154 50 0 DCAAMO Cc1c[nH+]ccc1N1CCCN(C(=O)C[C@@H]2COCCN2)CC1 ZINC000072120696 685073454 /nfs/dbraw/zinc/07/34/54/685073454.db2.gz VCKVJCPVDYGDRA-OAHLLOKOSA-N 1 1 318.421 0.807 50 0 DCAAMO CN(CCc1noc(C2CC2)n1)C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072448493 685074984 /nfs/dbraw/zinc/07/49/84/685074984.db2.gz ZFNVDVWAOWERJA-CYBMUJFWSA-N 1 1 316.365 0.558 50 0 DCAAMO C[N@H+]1CCC[C@]2(CO)CCN(C(=O)c3ccc(N)nc3)C[C@@H]12 ZINC001704299614 1179965091 /nfs/dbraw/zinc/96/50/91/1179965091.db2.gz OQBYLIPQNJIQRP-CZUORRHYSA-N 1 1 304.394 0.583 50 0 DCAAMO CN1C(=O)[C@H]2COC[C@@H]1C[N@@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC001704312701 1179969210 /nfs/dbraw/zinc/96/92/10/1179969210.db2.gz IZUMEDQIOGEQHF-KGLIPLIRSA-N 1 1 318.373 0.747 50 0 DCAAMO CN1C(=O)[C@H]2COC[C@@H]1C[N@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC001704312701 1179969216 /nfs/dbraw/zinc/96/92/16/1179969216.db2.gz IZUMEDQIOGEQHF-KGLIPLIRSA-N 1 1 318.373 0.747 50 0 DCAAMO Cc1nc(C)c(CC(=O)N2C[C@H]3COC[C@@H]2C[N@@H+](C)C3)c(=O)[nH]1 ZINC001704312495 1179969268 /nfs/dbraw/zinc/96/92/68/1179969268.db2.gz DQDMHOPIEGOGPJ-STQMWFEESA-N 1 1 320.393 0.131 50 0 DCAAMO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCCO3)C2 ZINC001704315748 1179971548 /nfs/dbraw/zinc/97/15/48/1179971548.db2.gz CPRDSKISLVJBMA-OCCSQVGLSA-N 1 1 318.373 0.860 50 0 DCAAMO C[N@H+]1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCCO3)C2 ZINC001704315748 1179971551 /nfs/dbraw/zinc/97/15/51/1179971551.db2.gz CPRDSKISLVJBMA-OCCSQVGLSA-N 1 1 318.373 0.860 50 0 DCAAMO COc1cc(O)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[N@H+](C)C3)c1 ZINC001704333684 1179976478 /nfs/dbraw/zinc/97/64/78/1179976478.db2.gz DCWKJERBCLJYDW-YPMHNXCESA-N 1 1 306.362 0.803 50 0 DCAAMO COc1cc(O)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[N@@H+](C)C3)c1 ZINC001704333684 1179976482 /nfs/dbraw/zinc/97/64/82/1179976482.db2.gz DCWKJERBCLJYDW-YPMHNXCESA-N 1 1 306.362 0.803 50 0 DCAAMO Cn1c(=O)[nH]cc(CC[N@@H+](C)Cc2ccc3nonc3c2)c1=O ZINC001704348766 1179982091 /nfs/dbraw/zinc/98/20/91/1179982091.db2.gz FRAXGPMCQSAUHJ-UHFFFAOYSA-N 1 1 315.333 0.697 50 0 DCAAMO C[N@H+]1CC[C@@H](NS(=O)(=O)CCOc2ccc(F)cc2)C1 ZINC000823755232 758265030 /nfs/dbraw/zinc/26/50/30/758265030.db2.gz NAKKKFUSYJSALC-GFCCVEGCSA-N 1 1 302.371 0.828 50 0 DCAAMO O=S(=O)(NCCC[N@@H+]1CCCC[C@H]1CO)N1CCCC1 ZINC000828711008 759073657 /nfs/dbraw/zinc/07/36/57/759073657.db2.gz XWRDMBJZZLSOPV-ZDUSSCGKSA-N 1 1 305.444 0.154 50 0 DCAAMO CC(C)[C@]1(O)CN(C(=O)CC[N@H+]2CCCN(C)CC2)C[C@H]1C ZINC000219576258 766271078 /nfs/dbraw/zinc/27/10/78/766271078.db2.gz VCESNCLKDPPBSC-NVXWUHKLSA-N 1 1 311.470 0.879 50 0 DCAAMO CC(C)[C@]1(O)CN(C(=O)CCN2CCC[N@H+](C)CC2)C[C@H]1C ZINC000219576258 766271080 /nfs/dbraw/zinc/27/10/80/766271080.db2.gz VCESNCLKDPPBSC-NVXWUHKLSA-N 1 1 311.470 0.879 50 0 DCAAMO CC(C)[C@]1(O)CN(C(=O)CCN2CCC[N@@H+](C)CC2)C[C@H]1C ZINC000219576258 766271083 /nfs/dbraw/zinc/27/10/83/766271083.db2.gz VCESNCLKDPPBSC-NVXWUHKLSA-N 1 1 311.470 0.879 50 0 DCAAMO O=C(C1CC=CC1)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000952868171 768923873 /nfs/dbraw/zinc/92/38/73/768923873.db2.gz ZVGSPMOLFRINCI-UHFFFAOYSA-N 1 1 307.438 0.554 50 0 DCAAMO Cc1cccc(C[N@@H+]2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)n1 ZINC001529168155 1014510963 /nfs/dbraw/zinc/51/09/63/1014510963.db2.gz XAYMKTLBLBXZPW-JSGCOSHPSA-N 1 1 313.423 0.074 50 0 DCAAMO Cc1cccc(C[N@H+]2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)n1 ZINC001529168155 1014510972 /nfs/dbraw/zinc/51/09/72/1014510972.db2.gz XAYMKTLBLBXZPW-JSGCOSHPSA-N 1 1 313.423 0.074 50 0 DCAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCO[C@H](C)C2)CC1 ZINC000074659036 185006293 /nfs/dbraw/zinc/00/62/93/185006293.db2.gz DWMCVOVIDGSMER-LSDHHAIUSA-N 1 1 312.458 0.690 50 0 DCAAMO COCC[NH+]1CCN(C(=O)Nc2cc(C(N)=O)ccc2C)CC1 ZINC000095521337 185377390 /nfs/dbraw/zinc/37/73/90/185377390.db2.gz RRXJKLLLJGTXQE-UHFFFAOYSA-N 1 1 320.393 0.890 50 0 DCAAMO Cc1nc(CCNC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)cc(=O)[nH]1 ZINC000095525124 185377934 /nfs/dbraw/zinc/37/79/34/185377934.db2.gz OFGNQNWOYAUWAX-CYBMUJFWSA-N 1 1 306.410 0.857 50 0 DCAAMO CC(C)[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@H]1NS(C)(=O)=O ZINC000082114864 192358423 /nfs/dbraw/zinc/35/84/23/192358423.db2.gz CXAQJORZCJQOMB-NWDGAFQWSA-N 1 1 323.422 0.968 50 0 DCAAMO CN1CCO[C@H](C(=O)N2CCN(c3cc[nH+]cc3Cl)CC2)C1 ZINC000095437770 185365414 /nfs/dbraw/zinc/36/54/14/185365414.db2.gz NYHYNQXHFWVUSN-AWEZNQCLSA-N 1 1 324.812 0.714 50 0 DCAAMO CNS(=O)(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)C)cc1 ZINC000071760826 191026186 /nfs/dbraw/zinc/02/61/86/191026186.db2.gz VMHZGIWTKYPVAE-LLVKDONJSA-N 1 1 313.423 0.503 50 0 DCAAMO CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)C)cc1 ZINC000071760826 191026189 /nfs/dbraw/zinc/02/61/89/191026189.db2.gz VMHZGIWTKYPVAE-LLVKDONJSA-N 1 1 313.423 0.503 50 0 DCAAMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccn3nnnc3c2)C1 ZINC000071750175 191021710 /nfs/dbraw/zinc/02/17/10/191021710.db2.gz KRJJDMLACBJOAZ-LBPRGKRZSA-N 1 1 302.382 0.928 50 0 DCAAMO NC(=O)C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072137025 191046684 /nfs/dbraw/zinc/04/66/84/191046684.db2.gz MYWLSUVAKRFGCS-AWEZNQCLSA-N 1 1 320.412 0.897 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072137025 191046687 /nfs/dbraw/zinc/04/66/87/191046687.db2.gz MYWLSUVAKRFGCS-AWEZNQCLSA-N 1 1 320.412 0.897 50 0 DCAAMO NC(=O)CN1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072137025 191046690 /nfs/dbraw/zinc/04/66/90/191046690.db2.gz MYWLSUVAKRFGCS-AWEZNQCLSA-N 1 1 320.412 0.897 50 0 DCAAMO C[NH+]1CCN(NC(=O)c2cccnc2O[C@H]2CCOC2)CC1 ZINC000253408278 186308082 /nfs/dbraw/zinc/30/80/82/186308082.db2.gz XKELQPUZBCHGLE-LBPRGKRZSA-N 1 1 306.366 0.142 50 0 DCAAMO CC[C@@]1(O)CC[N@@H+](CCCOc2ccc(C(N)=O)cc2)C[C@H]1O ZINC000072411950 191155271 /nfs/dbraw/zinc/15/52/71/191155271.db2.gz ZRSXPWRSTSUOPG-NVXWUHKLSA-N 1 1 322.405 0.762 50 0 DCAAMO O=C(NCc1ccc2c(c1)OCO2)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072424099 191159617 /nfs/dbraw/zinc/15/96/17/191159617.db2.gz CXLYEILGRDCFSM-AWEZNQCLSA-N 1 1 300.318 0.642 50 0 DCAAMO COc1ccc(C[N@@H+]2CCN(CC(N)=O)C[C@@H]2CCO)cc1C ZINC000072434753 191166170 /nfs/dbraw/zinc/16/61/70/191166170.db2.gz XZSPNRDOJZSBLC-HNNXBMFYSA-N 1 1 321.421 0.358 50 0 DCAAMO COc1ccc(C[N@H+]2CCN(CC(N)=O)C[C@@H]2CCO)cc1C ZINC000072434753 191166172 /nfs/dbraw/zinc/16/61/72/191166172.db2.gz XZSPNRDOJZSBLC-HNNXBMFYSA-N 1 1 321.421 0.358 50 0 DCAAMO CC(C)Cc1noc(CN(C)C(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)n1 ZINC000072477212 191179576 /nfs/dbraw/zinc/17/95/76/191179576.db2.gz ONOKHSHUMJJDTQ-CQSZACIVSA-N 1 1 318.381 0.837 50 0 DCAAMO O=C(Cn1nc2n(c1=O)CCCCC2)N1CC[NH+](C2CC2)CC1 ZINC000089819260 192878787 /nfs/dbraw/zinc/87/87/87/192878787.db2.gz YMVPCVOALPFSKI-UHFFFAOYSA-N 1 1 319.409 0.078 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)c1cnc2sccn2c1=O ZINC000016647889 182055642 /nfs/dbraw/zinc/05/56/42/182055642.db2.gz 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/nfs/dbraw/zinc/75/94/53/395759453.db2.gz QJRDPUCWHPKZIQ-CQSZACIVSA-N 1 1 321.425 0.875 50 0 DCAAMO Cc1n[nH]c(CCC(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000097766555 395760152 /nfs/dbraw/zinc/76/01/52/395760152.db2.gz STOAOIGHSHVVNM-ZDUSSCGKSA-N 1 1 321.425 0.273 50 0 DCAAMO Cc1[nH]nc(CCC(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000097766555 395760154 /nfs/dbraw/zinc/76/01/54/395760154.db2.gz STOAOIGHSHVVNM-ZDUSSCGKSA-N 1 1 321.425 0.273 50 0 DCAAMO Cc1[nH]nc(CCC(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000097766555 395760156 /nfs/dbraw/zinc/76/01/56/395760156.db2.gz STOAOIGHSHVVNM-ZDUSSCGKSA-N 1 1 321.425 0.273 50 0 DCAAMO O=C([O-])[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000097773090 395760917 /nfs/dbraw/zinc/76/09/17/395760917.db2.gz HCJWNFNCTGCZAE-CQSZACIVSA-N 1 1 300.362 0.978 50 0 DCAAMO O=C([O-])[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000097773090 395760919 /nfs/dbraw/zinc/76/09/19/395760919.db2.gz HCJWNFNCTGCZAE-CQSZACIVSA-N 1 1 300.362 0.978 50 0 DCAAMO OCC[NH+]1CCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000046055633 395770269 /nfs/dbraw/zinc/77/02/69/395770269.db2.gz LUASXRBELJSVOT-UHFFFAOYSA-N 1 1 302.378 0.770 50 0 DCAAMO NC(=O)C1CC[NH+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000051186035 395848407 /nfs/dbraw/zinc/84/84/07/395848407.db2.gz CXLYYZBKPOUDKI-UHFFFAOYSA-N 1 1 323.368 0.518 50 0 DCAAMO Cn1ccc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1=O ZINC000051734930 395854027 /nfs/dbraw/zinc/85/40/27/395854027.db2.gz RPOAGNZAPDOSQR-CYBMUJFWSA-N 1 1 313.423 0.289 50 0 DCAAMO NC(=O)C[NH+]1CCC(NC(=O)CSc2ccncc2)CC1 ZINC000047471172 395793925 /nfs/dbraw/zinc/79/39/25/395793925.db2.gz OKXSRUAWAFKFMK-UHFFFAOYSA-N 1 1 308.407 0.240 50 0 DCAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCNC(=O)C1 ZINC000122651830 395887955 /nfs/dbraw/zinc/88/79/55/395887955.db2.gz QCTLYGYVBDZCLB-HNNXBMFYSA-N 1 1 316.405 0.792 50 0 DCAAMO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000054993069 395908910 /nfs/dbraw/zinc/90/89/10/395908910.db2.gz UGZPXOIGVCNMRT-AWEZNQCLSA-N 1 1 319.471 0.760 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(Cl)nc2)C1 ZINC000055383140 395917908 /nfs/dbraw/zinc/91/79/08/395917908.db2.gz UMYWZEYCYAJIFY-LLVKDONJSA-N 1 1 310.785 0.549 50 0 DCAAMO O=C(C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1)N1CCOCC1 ZINC000052834114 395871088 /nfs/dbraw/zinc/87/10/88/395871088.db2.gz SFIVDOYUMNWMLJ-HNNXBMFYSA-N 1 1 317.389 0.408 50 0 DCAAMO O=C(C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1)N1CCOCC1 ZINC000052834114 395871089 /nfs/dbraw/zinc/87/10/89/395871089.db2.gz SFIVDOYUMNWMLJ-HNNXBMFYSA-N 1 1 317.389 0.408 50 0 DCAAMO O=C(C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1)N1CCNC1=O ZINC000052834497 395871592 /nfs/dbraw/zinc/87/15/92/395871592.db2.gz RRXWILSGKRXUDY-CYBMUJFWSA-N 1 1 316.361 0.101 50 0 DCAAMO O=C(C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1)N1CCNC1=O ZINC000052834497 395871594 /nfs/dbraw/zinc/87/15/94/395871594.db2.gz RRXWILSGKRXUDY-CYBMUJFWSA-N 1 1 316.361 0.101 50 0 DCAAMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000229265050 395873719 /nfs/dbraw/zinc/87/37/19/395873719.db2.gz DILJFTNDIFEYAE-CMPLNLGQSA-N 1 1 307.419 0.829 50 0 DCAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000229778539 395876392 /nfs/dbraw/zinc/87/63/92/395876392.db2.gz GJWMHOGELKNHPO-RYUDHWBXSA-N 1 1 317.455 0.162 50 0 DCAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000229778539 395876396 /nfs/dbraw/zinc/87/63/96/395876396.db2.gz GJWMHOGELKNHPO-RYUDHWBXSA-N 1 1 317.455 0.162 50 0 DCAAMO O=C1CCCN1C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C1CCCCC1 ZINC000230190735 395879465 /nfs/dbraw/zinc/87/94/65/395879465.db2.gz UDGQOHDUCLNXRM-HRCADAONSA-N 1 1 310.438 0.985 50 0 DCAAMO Cc1ccnc(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000065001092 395990874 /nfs/dbraw/zinc/99/08/74/395990874.db2.gz PVAADFQOQPVXOK-CQSZACIVSA-N 1 1 303.410 0.775 50 0 DCAAMO CN(Cc1nncn1C)c1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000065384258 395993129 /nfs/dbraw/zinc/99/31/29/395993129.db2.gz BXGBQYJNGDCOKK-UHFFFAOYSA-N 1 1 303.370 0.203 50 0 DCAAMO 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415557091 /nfs/dbraw/zinc/55/70/91/415557091.db2.gz JJSSEFCWHQQMOH-INIZCTEOSA-N 1 1 321.425 0.759 50 0 DCAAMO CCn1cnnc1C[N@H+]1CC[C@]2(C1)CCCN(CCOC)C2=O ZINC000095375687 415557096 /nfs/dbraw/zinc/55/70/96/415557096.db2.gz JJSSEFCWHQQMOH-INIZCTEOSA-N 1 1 321.425 0.759 50 0 DCAAMO O=C(Cn1cnnn1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095383004 415559086 /nfs/dbraw/zinc/55/90/86/415559086.db2.gz DTVISKILIKLLGF-ZIAGYGMSSA-N 1 1 304.398 0.396 50 0 DCAAMO C[C@@H]1C[NH+](C[C@@H](O)Cn2nc(-c3ccco3)oc2=O)C[C@@H](C)O1 ZINC000106830555 415647080 /nfs/dbraw/zinc/64/70/80/415647080.db2.gz BZICFCPHWAXTFG-IJLUTSLNSA-N 1 1 323.349 0.566 50 0 DCAAMO Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000102701008 415598202 /nfs/dbraw/zinc/59/82/02/415598202.db2.gz RDWXBOXVQALVDI-JSGCOSHPSA-N 1 1 315.373 0.824 50 0 DCAAMO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000102701008 415598207 /nfs/dbraw/zinc/59/82/07/415598207.db2.gz RDWXBOXVQALVDI-JSGCOSHPSA-N 1 1 315.373 0.824 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)Cn2cccn2)C1 ZINC000107573679 415666406 /nfs/dbraw/zinc/66/64/06/415666406.db2.gz MITDBDPRNMGZKN-CABCVRRESA-N 1 1 323.441 0.928 50 0 DCAAMO Cc1ccncc1CCC[N@@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000289557008 415708320 /nfs/dbraw/zinc/70/83/20/415708320.db2.gz GPPPJBAOUNKWAH-MRXNPFEDSA-N 1 1 320.437 0.441 50 0 DCAAMO Cc1ccncc1CCC[N@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000289557008 415708323 /nfs/dbraw/zinc/70/83/23/415708323.db2.gz GPPPJBAOUNKWAH-MRXNPFEDSA-N 1 1 320.437 0.441 50 0 DCAAMO Cc1nn(CCNC(=O)[C@@H](C)N2CC[NH+](C)CC2)c(C)c1C ZINC000299777405 416067273 /nfs/dbraw/zinc/06/72/73/416067273.db2.gz NHLDKQAHCAGAOY-OAHLLOKOSA-N 1 1 307.442 0.560 50 0 DCAAMO O=C(CCn1cc(Cl)cn1)NCC[N@@H+]1CCCC[C@H]1CO ZINC000299778295 416067541 /nfs/dbraw/zinc/06/75/41/416067541.db2.gz GYZUOHNGOUSYTF-ZDUSSCGKSA-N 1 1 314.817 0.890 50 0 DCAAMO CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000171164359 416037781 /nfs/dbraw/zinc/03/77/81/416037781.db2.gz XUSPAQCADCUQCS-AWEZNQCLSA-N 1 1 318.425 0.793 50 0 DCAAMO C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H]1c1ccccc1 ZINC000253429238 416334788 /nfs/dbraw/zinc/33/47/88/416334788.db2.gz CFAJEATXCGMQMR-YOEHRIQHSA-N 1 1 317.389 0.407 50 0 DCAAMO C[C@H](C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccc(F)cc1 ZINC000195573051 416326820 /nfs/dbraw/zinc/32/68/20/416326820.db2.gz HOYVCXUCIRCGPE-BXUZGUMPSA-N 1 1 305.353 0.572 50 0 DCAAMO C[C@H](C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccc(F)cc1 ZINC000195573051 416326821 /nfs/dbraw/zinc/32/68/21/416326821.db2.gz HOYVCXUCIRCGPE-BXUZGUMPSA-N 1 1 305.353 0.572 50 0 DCAAMO NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000239347224 416330046 /nfs/dbraw/zinc/33/00/46/416330046.db2.gz MLZJDHFHGJFLBQ-YPMHNXCESA-N 1 1 301.346 0.516 50 0 DCAAMO NC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000239347224 416330047 /nfs/dbraw/zinc/33/00/47/416330047.db2.gz MLZJDHFHGJFLBQ-YPMHNXCESA-N 1 1 301.346 0.516 50 0 DCAAMO CN(C)c1noc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)n1 ZINC000241693893 416330454 /nfs/dbraw/zinc/33/04/54/416330454.db2.gz QIPZPWIZSBIKNV-CHWSQXEVSA-N 1 1 320.397 0.957 50 0 DCAAMO CN(C)c1noc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)n1 ZINC000241693893 416330455 /nfs/dbraw/zinc/33/04/55/416330455.db2.gz QIPZPWIZSBIKNV-CHWSQXEVSA-N 1 1 320.397 0.957 50 0 DCAAMO CN(CCCc1nccn1C)C(=O)C[C@@H]1CN(C)CC[N@H+]1C ZINC000244633470 416330569 /nfs/dbraw/zinc/33/05/69/416330569.db2.gz GDPFVCSQAXGGFO-CQSZACIVSA-N 1 1 307.442 0.447 50 0 DCAAMO CN(CCCc1nccn1C)C(=O)C[C@@H]1C[N@H+](C)CCN1C ZINC000244633470 416330570 /nfs/dbraw/zinc/33/05/70/416330570.db2.gz GDPFVCSQAXGGFO-CQSZACIVSA-N 1 1 307.442 0.447 50 0 DCAAMO CN(CCCc1nccn1C)C(=O)C[C@@H]1C[N@@H+](C)CCN1C ZINC000244633470 416330571 /nfs/dbraw/zinc/33/05/71/416330571.db2.gz GDPFVCSQAXGGFO-CQSZACIVSA-N 1 1 307.442 0.447 50 0 DCAAMO CC(C)C[N@H+]1CCN(CC(=O)Nc2ccn(C)n2)C[C@@H]1CCO ZINC000244748629 416330881 /nfs/dbraw/zinc/33/08/81/416330881.db2.gz OLMCPTBYPZAJSJ-AWEZNQCLSA-N 1 1 323.441 0.383 50 0 DCAAMO CCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000005148175 273683066 /nfs/dbraw/zinc/68/30/66/273683066.db2.gz LSLXOJYLGXOXJO-SECBINFHSA-N 1 1 304.354 0.693 50 0 DCAAMO CC[C@@H](C)n1c2c(nc1N1CC[NH+](C)CC1)n(C)c(=O)[nH]c2=O ZINC000000237783 276421655 /nfs/dbraw/zinc/42/16/55/276421655.db2.gz ISBCDRWCQCZASP-SNVBAGLBSA-N 1 1 320.397 0.146 50 0 biogenic DCAAMO CN1[NH+]=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005148120 277214039 /nfs/dbraw/zinc/21/40/39/277214039.db2.gz ZTIOYAYJXVAYBN-UHFFFAOYSA-N 1 1 304.354 0.286 50 0 DCAAMO C[NH+](C)[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC000091747114 289395676 /nfs/dbraw/zinc/39/56/76/289395676.db2.gz JQOAYQUFXKFWAD-CABCVRRESA-N 1 1 324.446 0.977 50 0 DCAAMO C[C@H](O)C[N@H+]1CCN([C@H](C(N)=O)c2ccc(F)cc2)C[C@H]1C ZINC000247229613 290117230 /nfs/dbraw/zinc/11/72/30/290117230.db2.gz RDAFNZFGVMKGIS-XUJVJEKNSA-N 1 1 309.385 0.739 50 0 DCAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2CO)C[C@H](C)O1 ZINC000092028584 332117841 /nfs/dbraw/zinc/11/78/41/332117841.db2.gz XRDUWRBHMYBGJL-OCVGTWLNSA-N 1 1 310.438 0.963 50 0 DCAAMO C[N@@H+](CCO)CCNC(=O)N(Cc1ccc(O)cc1)C1CC1 ZINC000534656786 334314286 /nfs/dbraw/zinc/31/42/86/334314286.db2.gz LHVPQYHVPMULDI-UHFFFAOYSA-N 1 1 307.394 0.990 50 0 DCAAMO O=C(CC1CC[NH2+]CC1)N1CCN(CC2CC2)[C@H](CCO)C1 ZINC000534649366 334316963 /nfs/dbraw/zinc/31/69/63/334316963.db2.gz UPQRHIQCFZUUAG-MRXNPFEDSA-N 1 1 309.454 0.681 50 0 DCAAMO Cc1cc(N2CCCC2)n2nc(CN3CC[NH+](C)CC3)nc2n1 ZINC000065311528 545659202 /nfs/dbraw/zinc/65/92/02/545659202.db2.gz OSWMSDKREVCQAU-UHFFFAOYSA-N 1 1 315.425 0.780 50 0 DCAAMO CCN(C(=O)C[N@@H+]1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O)C1CC1 ZINC000084761090 545703997 /nfs/dbraw/zinc/70/39/97/545703997.db2.gz HNHBELBCHHJCPF-INIZCTEOSA-N 1 1 322.409 0.402 50 0 DCAAMO CCN(C(=O)C[N@H+]1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O)C1CC1 ZINC000084761090 545704001 /nfs/dbraw/zinc/70/40/01/545704001.db2.gz HNHBELBCHHJCPF-INIZCTEOSA-N 1 1 322.409 0.402 50 0 DCAAMO CO[C@H]1C[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C[C@@H]1O ZINC000670436805 547089554 /nfs/dbraw/zinc/08/95/54/547089554.db2.gz RGNAGNFUXUGNDL-KBPBESRZSA-N 1 1 312.797 0.690 50 0 DCAAMO CO[C@H]1C[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)C[C@@H]1O ZINC000670436805 547089555 /nfs/dbraw/zinc/08/95/55/547089555.db2.gz RGNAGNFUXUGNDL-KBPBESRZSA-N 1 1 312.797 0.690 50 0 DCAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCCN1CCCCC1=O ZINC000670447579 547094614 /nfs/dbraw/zinc/09/46/14/547094614.db2.gz ZBHYZPJOXMVUAR-CQSZACIVSA-N 1 1 310.442 0.141 50 0 DCAAMO Cc1ccc(NCCCNC(=O)C[N@@H+]2CCC[C@@H](O)C2)nc1 ZINC000670461039 547098750 /nfs/dbraw/zinc/09/87/50/547098750.db2.gz OFMRZRYFLRDOCL-CQSZACIVSA-N 1 1 306.410 0.765 50 0 DCAAMO Cc1ccc(NCCCNC(=O)C[N@H+]2CCC[C@@H](O)C2)nc1 ZINC000670461039 547098758 /nfs/dbraw/zinc/09/87/58/547098758.db2.gz OFMRZRYFLRDOCL-CQSZACIVSA-N 1 1 306.410 0.765 50 0 DCAAMO CN(C)C(=O)[C@](C)(NC[C@@H](O)C[N@@H+](C)C1CC1)C(F)(F)F ZINC000888095789 661168615 /nfs/dbraw/zinc/16/86/15/661168615.db2.gz WAMDSSRYLYBZHT-PWSUYJOCSA-N 1 1 311.348 0.440 50 0 DCAAMO O=C(Cn1ccnc1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000299788450 659645581 /nfs/dbraw/zinc/64/55/81/659645581.db2.gz SPJDSXDEWGAHCR-HUUCEWRRSA-N 1 1 315.377 0.030 50 0 DCAAMO O=C(Cn1ccnc1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000299788450 659645587 /nfs/dbraw/zinc/64/55/87/659645587.db2.gz SPJDSXDEWGAHCR-HUUCEWRRSA-N 1 1 315.377 0.030 50 0 DCAAMO CCn1cc(S(=O)(=O)N[C@H]2C[N@@H+](CC)CC2(C)C)cn1 ZINC000952993512 665873119 /nfs/dbraw/zinc/87/31/19/665873119.db2.gz NWHLBJRNPXOCIM-LBPRGKRZSA-N 1 1 300.428 0.912 50 0 DCAAMO CN(Cc1nc2ccccc2n1C)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC000067726211 662850758 /nfs/dbraw/zinc/85/07/58/662850758.db2.gz KPDQSPWQSJHHRD-LBPRGKRZSA-N 1 1 312.377 0.825 50 0 DCAAMO Cc1cccn(CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1=O ZINC000186886552 666606911 /nfs/dbraw/zinc/60/69/11/666606911.db2.gz MTAURHUVVBDPQM-AWEZNQCLSA-N 1 1 321.421 0.460 50 0 DCAAMO C[C@@H](c1nccs1)N(C)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952963556 685598208 /nfs/dbraw/zinc/59/82/08/685598208.db2.gz KSIQHAUJERPINB-QWRGUYRKSA-N 1 1 310.423 0.860 50 0 DCAAMO CN(CCCC[NH+]1CCOCC1)C(=O)/C=C/c1cnc(N)nc1 ZINC000952967583 685598886 /nfs/dbraw/zinc/59/88/86/685598886.db2.gz LFVFCVRVRZTWOX-SNAWJCMRSA-N 1 1 319.409 0.643 50 0 DCAAMO Nc1nnc(CCCNc2nc(N3CC[C@H](O)C3)cc[nH+]2)s1 ZINC000065395609 685062807 /nfs/dbraw/zinc/06/28/07/685062807.db2.gz QIPKEMUKDNCYRG-VIFPVBQESA-N 1 1 321.410 0.526 50 0 DCAAMO O=C(C[N@H+]1C[C@@H]2COCC[C@]2(CO)C1)NCCc1ccccc1 ZINC001772704785 1157842625 /nfs/dbraw/zinc/84/26/25/1157842625.db2.gz FGWXYCUYZOPUDS-SJLPKXTDSA-N 1 1 318.417 0.676 50 0 DCAAMO C[N@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc3n[nH]nc3c1)C2 ZINC001704310290 1179969043 /nfs/dbraw/zinc/96/90/43/1179969043.db2.gz QYSOMFNHTMLEMX-JQWIXIFHSA-N 1 1 301.350 0.361 50 0 DCAAMO O=C1N[C@@H]2COC[C@H]1C[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC001704332490 1179976674 /nfs/dbraw/zinc/97/66/74/1179976674.db2.gz XUKUWIIALLBJIK-CABCVRRESA-N 1 1 312.373 0.819 50 0 DCAAMO CCN1CCC(C[NH2+][C@H](C)CS(C)(=O)=O)(N(C)C)CC1 ZINC000823107382 758223819 /nfs/dbraw/zinc/22/38/19/758223819.db2.gz VOXHOPZQUPCFHN-CYBMUJFWSA-N 1 1 305.488 0.425 50 0 DCAAMO CCS(=O)(=O)NC[C@@H](C)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000823412738 758246413 /nfs/dbraw/zinc/24/64/13/758246413.db2.gz ONIYQGFIWFSPSW-CYBMUJFWSA-N 1 1 303.472 0.732 50 0 DCAAMO CCS(=O)(=O)NC[C@@H](C)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000823412738 758246421 /nfs/dbraw/zinc/24/64/21/758246421.db2.gz ONIYQGFIWFSPSW-CYBMUJFWSA-N 1 1 303.472 0.732 50 0 DCAAMO C[C@H](CCC(=O)N(C)Cc1nncn1C)N1CC[NH+](C)CC1 ZINC000823789388 758275341 /nfs/dbraw/zinc/27/53/41/758275341.db2.gz KJFKBYBVQIYCTR-CYBMUJFWSA-N 1 1 308.430 0.190 50 0 DCAAMO Nc1nc(NC[C@@H]2CC[N@H+](C3CC3)C2)cc(N2CCOCC2)n1 ZINC000827587277 758869846 /nfs/dbraw/zinc/86/98/46/758869846.db2.gz YAQZKNFTWCGXHC-LBPRGKRZSA-N 1 1 318.425 0.792 50 0 DCAAMO Cc1nc(N)sc1CC(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000828710824 759072353 /nfs/dbraw/zinc/07/23/53/759072353.db2.gz KCBLYXQBYQPVAL-NSHDSACASA-N 1 1 312.439 0.539 50 0 DCAAMO Cc1nc(N)sc1CC(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000828710823 759072716 /nfs/dbraw/zinc/07/27/16/759072716.db2.gz KCBLYXQBYQPVAL-LLVKDONJSA-N 1 1 312.439 0.539 50 0 DCAAMO Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000585115031 766284288 /nfs/dbraw/zinc/28/42/88/766284288.db2.gz JNYXTGZLLAJEBG-OLZOCXBDSA-N 1 1 312.439 0.609 50 0 DCAAMO [NH3+][C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C[C@H]1O ZINC000082108812 192357182 /nfs/dbraw/zinc/35/71/82/192357182.db2.gz RXEOUIUOBFZDBP-BXUZGUMPSA-N 1 1 304.325 0.750 50 0 DCAAMO Nc1cc[nH+]c(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)n1 ZINC000082125739 192359959 /nfs/dbraw/zinc/35/99/59/192359959.db2.gz ICIIIJXFGFSQFM-HNNXBMFYSA-N 1 1 305.382 0.260 50 0 DCAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(C)CCNC(=O)C(C)C)CC1 ZINC000095453479 185369529 /nfs/dbraw/zinc/36/95/29/185369529.db2.gz GEZOYTNKIZYGAB-AWEZNQCLSA-N 1 1 312.458 0.243 50 0 DCAAMO CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)C)CC1 ZINC000095453479 185369530 /nfs/dbraw/zinc/36/95/30/185369530.db2.gz GEZOYTNKIZYGAB-AWEZNQCLSA-N 1 1 312.458 0.243 50 0 DCAAMO CCN1CCN(C(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)C)CC1 ZINC000095453479 185369531 /nfs/dbraw/zinc/36/95/31/185369531.db2.gz GEZOYTNKIZYGAB-AWEZNQCLSA-N 1 1 312.458 0.243 50 0 DCAAMO Cn1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)O3)CC2)n1 ZINC000072125468 191041739 /nfs/dbraw/zinc/04/17/39/191041739.db2.gz POHVJFTXPYCWBM-AWEZNQCLSA-N 1 1 307.354 0.323 50 0 DCAAMO Cn1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)CC2)n1 ZINC000072125468 191041743 /nfs/dbraw/zinc/04/17/43/191041743.db2.gz POHVJFTXPYCWBM-AWEZNQCLSA-N 1 1 307.354 0.323 50 0 DCAAMO O=C(CO)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072148258 191053944 /nfs/dbraw/zinc/05/39/44/191053944.db2.gz SHCCTVZOVPWVIC-CQSZACIVSA-N 1 1 321.396 0.931 50 0 DCAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1cnn(C)c1 ZINC000072300223 191114270 /nfs/dbraw/zinc/11/42/70/191114270.db2.gz XGYFFVXXTYJAGG-LBPRGKRZSA-N 1 1 309.395 0.778 50 0 DCAAMO COCC[C@H](CO)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000225585072 186280409 /nfs/dbraw/zinc/28/04/09/186280409.db2.gz YFQDUVWOVLNMGY-CHWSQXEVSA-N 1 1 301.431 0.803 50 0 DCAAMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000072462870 191172770 /nfs/dbraw/zinc/17/27/70/191172770.db2.gz KCXUHAXDFYCKGE-OAHLLOKOSA-N 1 1 316.405 0.663 50 0 DCAAMO Cc1scnc1C(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091350511 193045415 /nfs/dbraw/zinc/04/54/15/193045415.db2.gz IPCKKSLTZAARQY-OAHLLOKOSA-N 1 1 322.434 0.878 50 0 DCAAMO Cc1scnc1C(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091350511 193045418 /nfs/dbraw/zinc/04/54/18/193045418.db2.gz IPCKKSLTZAARQY-OAHLLOKOSA-N 1 1 322.434 0.878 50 0 DCAAMO Cc1nonc1C[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091586411 193075846 /nfs/dbraw/zinc/07/58/46/193075846.db2.gz CXRRHZPEJHMZMF-UHFFFAOYSA-N 1 1 322.409 0.965 50 0 DCAAMO O=C(C[NH+]1CCC2(CC1)OCCC[C@@H]2O)NCc1ccccn1 ZINC000091690250 193092174 /nfs/dbraw/zinc/09/21/74/193092174.db2.gz JBNWOSFQRNCTBF-HNNXBMFYSA-N 1 1 319.405 0.704 50 0 DCAAMO CN1CC[C@]2(CN(C(=O)c3ccon3)CC[N@@H+]2C)CCC1=O ZINC000091694232 193093126 /nfs/dbraw/zinc/09/31/26/193093126.db2.gz ULVGPYXSFXVEKZ-HNNXBMFYSA-N 1 1 306.366 0.443 50 0 DCAAMO CN1CC[C@]2(CN(C(=O)c3ccon3)CC[N@H+]2C)CCC1=O ZINC000091694232 193093128 /nfs/dbraw/zinc/09/31/28/193093128.db2.gz ULVGPYXSFXVEKZ-HNNXBMFYSA-N 1 1 306.366 0.443 50 0 DCAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2ccc3nccn3c2)C1 ZINC000091625193 193080365 /nfs/dbraw/zinc/08/03/65/193080365.db2.gz TUWOMXHNSBPIKW-LBPRGKRZSA-N 1 1 315.377 0.261 50 0 DCAAMO CC(C)c1cncnc1N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091934068 193129004 /nfs/dbraw/zinc/12/90/04/193129004.db2.gz NIQUOOHMAKSOJF-ZIAGYGMSSA-N 1 1 308.426 0.569 50 0 DCAAMO COCC[C@@H]1COCCN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000253429373 202887581 /nfs/dbraw/zinc/88/75/81/202887581.db2.gz SBGCIYAKLDSGSM-OLZOCXBDSA-N 1 1 302.440 0.688 50 0 DCAAMO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH+](C)C ZINC000017052434 182070555 /nfs/dbraw/zinc/07/05/55/182070555.db2.gz KITBQUPEKSOGRZ-UHFFFAOYSA-N 1 1 313.379 0.832 50 0 DCAAMO O=C(CN1CCC[C@@H](O)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020942017 182256208 /nfs/dbraw/zinc/25/62/08/182256208.db2.gz UPDHAVJZLGTVOX-IAGOWNOFSA-N 1 1 317.433 0.834 50 0 DCAAMO Cc1ccc(OC[C@H](O)CN2CC[NH+](CCO)CC2)cc1C ZINC000021487183 182274999 /nfs/dbraw/zinc/27/49/99/182274999.db2.gz CPEUMMZDNSCLSL-MRXNPFEDSA-N 1 1 308.422 0.653 50 0 DCAAMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(CCO)CC2)cc1C ZINC000021487183 182275002 /nfs/dbraw/zinc/27/50/02/182275002.db2.gz CPEUMMZDNSCLSL-MRXNPFEDSA-N 1 1 308.422 0.653 50 0 DCAAMO COCCNC(=O)CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000023256532 182354763 /nfs/dbraw/zinc/35/47/63/182354763.db2.gz QESPBLOBDNVIMU-INIZCTEOSA-N 1 1 321.421 0.100 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCc2cnn(C)c2)C1 ZINC000043820973 183386495 /nfs/dbraw/zinc/38/64/95/183386495.db2.gz QNKMCTJDYIKDPW-HNNXBMFYSA-N 1 1 323.441 0.619 50 0 DCAAMO CN1CCN2CC[N@@H+](CCOCc3ccccc3)C[C@H]2C1=O ZINC000106255609 194192676 /nfs/dbraw/zinc/19/26/76/194192676.db2.gz HUJRGRUJFSYJAU-INIZCTEOSA-N 1 1 303.406 0.661 50 0 DCAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000106401030 194207325 /nfs/dbraw/zinc/20/73/25/194207325.db2.gz IQDBNXQZXQUQNF-UHFFFAOYSA-N 1 1 303.366 0.487 50 0 DCAAMO CC(C)[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1cnn(C)c1 ZINC000055919903 184000900 /nfs/dbraw/zinc/00/09/00/184000900.db2.gz JNZYRKWLQOUYAP-UHFFFAOYSA-N 1 1 307.398 0.961 50 0 DCAAMO CC(C)c1nc(CCN(C)C(=O)CN2CCC[N@@H+](C)CC2)no1 ZINC000065386269 184333173 /nfs/dbraw/zinc/33/31/73/184333173.db2.gz YVSGLLAAQFZSRH-UHFFFAOYSA-N 1 1 323.441 0.831 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)NCCSc2ccccn2)CC1 ZINC000065373522 184330558 /nfs/dbraw/zinc/33/05/58/184330558.db2.gz RXMJRMKNPGEODU-UHFFFAOYSA-N 1 1 308.451 0.927 50 0 DCAAMO Cc1nc[nH]c1CSCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)C2 ZINC000065373368 184330864 /nfs/dbraw/zinc/33/08/64/184330864.db2.gz FYIFVWFFPUFCMP-IUODEOHRSA-N 1 1 323.466 0.219 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1(n2cnnn2)CCCCC1 ZINC000095476415 285285137 /nfs/dbraw/zinc/28/51/37/285285137.db2.gz RGEWARDOQTUXRK-ZDUSSCGKSA-N 1 1 306.414 0.933 50 0 DCAAMO CC[N@H+]1CCC[C@@](C)(C(=O)N2CCN(c3nc[nH]n3)CC2)C1 ZINC000426700091 257244175 /nfs/dbraw/zinc/24/41/75/257244175.db2.gz SLJSVWNVQTWIIK-OAHLLOKOSA-N 1 1 306.414 0.575 50 0 DCAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cncc(=O)[nH]1 ZINC000426596675 257245765 /nfs/dbraw/zinc/24/57/65/257245765.db2.gz WXPLYGBRGUSLAI-CQSZACIVSA-N 1 1 312.373 0.899 50 0 DCAAMO CC(C)C[C@H](CNC(=O)[C@@H](C)n1cncn1)[NH+]1CCOCC1 ZINC000045236565 257269919 /nfs/dbraw/zinc/26/99/19/257269919.db2.gz BTXNTSMGEKCPLT-ZIAGYGMSSA-N 1 1 309.414 0.702 50 0 DCAAMO CC[NH+](CC)CC(=O)Nc1nn(-c2ccccc2)nc1C(N)=O ZINC000000112882 395679779 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ZINC000071870855 396120233 /nfs/dbraw/zinc/12/02/33/396120233.db2.gz HOHLJASZISMTRG-GFCCVEGCSA-N 1 1 303.370 0.857 50 0 DCAAMO O=c1cc(C[N@H+]2CCC[C@@H]2Cn2cncn2)nc2ccccn12 ZINC000071875138 396120444 /nfs/dbraw/zinc/12/04/44/396120444.db2.gz WCKDHAPJLYJBIK-CQSZACIVSA-N 1 1 310.361 0.951 50 0 DCAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)n1 ZINC000071876089 396121234 /nfs/dbraw/zinc/12/12/34/396121234.db2.gz NPIORKHKNGEALB-CYBMUJFWSA-N 1 1 305.382 0.516 50 0 DCAAMO Cc1cnn(C[C@H]2CCC[N@H+]2CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000071875890 396121414 /nfs/dbraw/zinc/12/14/14/396121414.db2.gz AHCNCAWWVSXFCM-CYBMUJFWSA-N 1 1 319.409 0.986 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)Cc2cn3ccccc3n2)CC1 ZINC000071881027 396122606 /nfs/dbraw/zinc/12/26/06/396122606.db2.gz MIPKSWQMQXGNJK-HNNXBMFYSA-N 1 1 316.405 0.792 50 0 DCAAMO CN(C)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nn1 ZINC000072269907 396129144 /nfs/dbraw/zinc/12/91/44/396129144.db2.gz IFNGWQLIRITOQJ-ZIAGYGMSSA-N 1 1 319.409 0.214 50 0 DCAAMO 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/nfs/dbraw/zinc/19/49/49/396194949.db2.gz SYWQYRYUWNNCBH-HZMBPMFUSA-N 1 1 323.418 0.800 50 0 DCAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)no1 ZINC000078890924 396256063 /nfs/dbraw/zinc/25/60/63/396256063.db2.gz IUTHTIFJCUFOGN-CQSZACIVSA-N 1 1 317.393 0.783 50 0 DCAAMO CC[NH+]1CCN(C(=O)CNc2ncnc3onc(C)c32)CC1 ZINC000192450192 396431382 /nfs/dbraw/zinc/43/13/82/396431382.db2.gz FBCHYIPCMMJFED-UHFFFAOYSA-N 1 1 304.354 0.502 50 0 DCAAMO COc1cccc2ncn(C[C@H]3C[N@H+](C)CCN3C)c(=O)c21 ZINC000584891905 396634028 /nfs/dbraw/zinc/63/40/28/396634028.db2.gz JWVBENNNBDPYLF-GFCCVEGCSA-N 1 1 302.378 0.651 50 0 DCAAMO COc1cccc2ncn(C[C@H]3C[N@@H+](C)CCN3C)c(=O)c21 ZINC000584891905 396634032 /nfs/dbraw/zinc/63/40/32/396634032.db2.gz JWVBENNNBDPYLF-GFCCVEGCSA-N 1 1 302.378 0.651 50 0 DCAAMO Cc1[nH+]cn(CCNC(=O)[C@@H]2CCCCn3nnnc32)c1C ZINC000584900336 396636505 /nfs/dbraw/zinc/63/65/05/396636505.db2.gz BLHHFQLWXMWJGE-GFCCVEGCSA-N 1 1 303.370 0.570 50 0 DCAAMO 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C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1 ZINC000100915644 415593788 /nfs/dbraw/zinc/59/37/88/415593788.db2.gz KLYSZPIUXVRPKJ-TZMCWYRMSA-N 1 1 317.389 0.637 50 0 DCAAMO Cc1nnc(CN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000107690886 415672472 /nfs/dbraw/zinc/67/24/72/415672472.db2.gz BSIRUCTUCFNXHB-CQSZACIVSA-N 1 1 309.439 0.633 50 0 DCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CSc1nnc(C)o1 ZINC000299777933 416068237 /nfs/dbraw/zinc/06/82/37/416068237.db2.gz LXARDRFUJVVYIB-QWRGUYRKSA-N 1 1 314.411 0.694 50 0 DCAAMO O=C([C@@H]1COCCO1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299779167 416068306 /nfs/dbraw/zinc/06/83/06/416068306.db2.gz DHEJGNLGMCPAJN-HNNXBMFYSA-N 1 1 305.378 0.531 50 0 DCAAMO O=C([C@@H]1COCCO1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299779167 416068309 /nfs/dbraw/zinc/06/83/09/416068309.db2.gz DHEJGNLGMCPAJN-HNNXBMFYSA-N 1 1 305.378 0.531 50 0 DCAAMO O=C(CC[N@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1)NC1CCCC1 ZINC000299790356 416069001 /nfs/dbraw/zinc/06/90/01/416069001.db2.gz 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CC(=O)N1CC[NH+]([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)C[C@@H]2C)CC1 ZINC000084685868 545703166 /nfs/dbraw/zinc/70/31/66/545703166.db2.gz UFRNUGDXTIYKQJ-CTHBEMJXSA-N 1 1 309.410 0.175 50 0 DCAAMO C[N@H+]1C[C@H](NC(=O)C2([NH+]3CCCC3)CCCC2)C[C@H]1C(=O)[O-] ZINC000426373900 661559534 /nfs/dbraw/zinc/55/95/34/661559534.db2.gz ZQBUUHPZWPIUMO-OLZOCXBDSA-N 1 1 309.410 0.669 50 0 DCAAMO C[N@H+]1CCCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 ZINC000061197384 664595492 /nfs/dbraw/zinc/59/54/92/664595492.db2.gz TXGAWVDOUZFBNQ-UHFFFAOYSA-N 1 1 322.434 0.977 50 0 DCAAMO Cc1nccc([C@@H]2CCC[N@@H+](CCS(=O)(=O)N(C)C)C2)n1 ZINC000585081718 666170495 /nfs/dbraw/zinc/17/04/95/666170495.db2.gz MPZIZRCIPBAGKF-CYBMUJFWSA-N 1 1 312.439 0.856 50 0 DCAAMO Cc1nccc([C@@H]2CCC[N@H+](CCS(=O)(=O)N(C)C)C2)n1 ZINC000585081718 666170497 /nfs/dbraw/zinc/17/04/97/666170497.db2.gz MPZIZRCIPBAGKF-CYBMUJFWSA-N 1 1 312.439 0.856 50 0 DCAAMO O=C(NCCn1ccnn1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000952963861 685598176 /nfs/dbraw/zinc/59/81/76/685598176.db2.gz ADVFCXRBANNARR-ZDUSSCGKSA-N 1 1 303.366 0.900 50 0 DCAAMO Cc1nc2c(c(N3CCO[C@H](CCO)C3)n1)CC[N@@H+](C)CC2 ZINC000065405801 685063885 /nfs/dbraw/zinc/06/38/85/685063885.db2.gz YWOROBOIMKDGOH-CYBMUJFWSA-N 1 1 306.410 0.403 50 0 DCAAMO C[N@H+]1CCC[C@]2(CO)CCN(c3nc(N)nc4nc[nH]c43)C[C@@H]12 ZINC001704307547 1179967976 /nfs/dbraw/zinc/96/79/76/1179967976.db2.gz JQVAPDDKQCNWRW-MEBBXXQBSA-N 1 1 317.397 0.218 50 0 DCAAMO O=C1N[C@@H]2COC[C@H]1C[N@H+](Cc1nc3c(s1)CCCC3)C2 ZINC001704311367 1179968760 /nfs/dbraw/zinc/96/87/60/1179968760.db2.gz GRDYGXIMJYOPJE-MNOVXSKESA-N 1 1 307.419 0.969 50 0 DCAAMO O=C1N[C@@H]2COC[C@H]1C[N@@H+](Cc1nc3c(s1)CCCC3)C2 ZINC001704311367 1179968765 /nfs/dbraw/zinc/96/87/65/1179968765.db2.gz GRDYGXIMJYOPJE-MNOVXSKESA-N 1 1 307.419 0.969 50 0 DCAAMO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2 ZINC001704311442 1179970132 /nfs/dbraw/zinc/97/01/32/1179970132.db2.gz JXPIWFMDZNOHBV-OLZOCXBDSA-N 1 1 318.373 0.860 50 0 DCAAMO 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/nfs/dbraw/zinc/27/16/45/257271645.db2.gz OUECFEWHLIYQSW-SECBINFHSA-N 1 1 317.397 0.028 50 0 DCAAMO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089522516 257271647 /nfs/dbraw/zinc/27/16/47/257271647.db2.gz OUECFEWHLIYQSW-SECBINFHSA-N 1 1 317.397 0.028 50 0 DCAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](O)C1 ZINC000426581058 257245815 /nfs/dbraw/zinc/24/58/15/257245815.db2.gz XIBXJHABSBXGLB-ZIAGYGMSSA-N 1 1 323.368 0.079 50 0 DCAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](O)C1 ZINC000426581058 257245816 /nfs/dbraw/zinc/24/58/16/257245816.db2.gz XIBXJHABSBXGLB-ZIAGYGMSSA-N 1 1 323.368 0.079 50 0 DCAAMO C[N@@H+]1C[C@H]2CN(C(=O)c3cnc4c(O)cccn4c3=O)C[C@H]2C1 ZINC000426599468 257246146 /nfs/dbraw/zinc/24/61/46/257246146.db2.gz BUDGCNPPIWEHCU-PHIMTYICSA-N 1 1 314.345 0.034 50 0 DCAAMO COc1c[nH]c(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)cc1=O ZINC000426471040 257249423 /nfs/dbraw/zinc/24/94/23/257249423.db2.gz ZQLJNCNKIDGMOX-STQMWFEESA-N 1 1 321.377 0.367 50 0 DCAAMO 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/nfs/dbraw/zinc/75/76/49/395757649.db2.gz YCMAUKNGPMIGMA-HNNXBMFYSA-N 1 1 306.410 0.700 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cc(C)on3)C[C@@H]2C)CC1 ZINC000107058222 395784332 /nfs/dbraw/zinc/78/43/32/395784332.db2.gz JTOQIOOWTUCVEZ-LRDDRELGSA-N 1 1 306.410 0.967 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3cc(C)on3)C[C@@H]2C)CC1 ZINC000107058222 395784336 /nfs/dbraw/zinc/78/43/36/395784336.db2.gz JTOQIOOWTUCVEZ-LRDDRELGSA-N 1 1 306.410 0.967 50 0 DCAAMO CC(=O)N1CC[NH+]([C@H]2CN(Cc3cc(C)on3)C[C@@H]2C)CC1 ZINC000107058222 395784338 /nfs/dbraw/zinc/78/43/38/395784338.db2.gz JTOQIOOWTUCVEZ-LRDDRELGSA-N 1 1 306.410 0.967 50 0 DCAAMO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3C[N@H+](C)C[C@H]3C)cc12 ZINC000107058921 395784620 /nfs/dbraw/zinc/78/46/20/395784620.db2.gz HFKPYLKSIKNOMF-NOZJJQNGSA-N 1 1 323.422 0.505 50 0 DCAAMO O[C@@H](COCc1ccco1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000044866862 395759410 /nfs/dbraw/zinc/75/94/10/395759410.db2.gz AIWYGMJQPQWPFT-CQSZACIVSA-N 1 1 318.377 0.769 50 0 DCAAMO C[N@H+]1CCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C[C@H](O)C1 ZINC000097675541 395759852 /nfs/dbraw/zinc/75/98/52/395759852.db2.gz LJSHKAGAFDHIRD-OAHLLOKOSA-N 1 1 300.362 0.825 50 0 DCAAMO CNc1cc[nH+]c(N2CCN(C(=O)N3CCCC3)C[C@H](O)C2)n1 ZINC000097698700 395760289 /nfs/dbraw/zinc/76/02/89/395760289.db2.gz SHBSNJUYVIMGDD-GFCCVEGCSA-N 1 1 320.397 0.217 50 0 DCAAMO COc1ccc(N2C(=O)C[C@H](N3CCC[N@@H+](C)CC3)C2=O)cc1 ZINC000101751833 395767159 /nfs/dbraw/zinc/76/71/59/395767159.db2.gz NEAUJCOVLBYBAZ-HNNXBMFYSA-N 1 1 317.389 0.965 50 0 DCAAMO CC(C)(CN1CCOCC1)C[N@H+]1CCCn2nc(CO)cc2C1 ZINC000218884881 395843938 /nfs/dbraw/zinc/84/39/38/395843938.db2.gz UOUFRHYSHLWRJU-UHFFFAOYSA-N 1 1 322.453 0.940 50 0 DCAAMO CC(C)(CN1CCCn2nc(CO)cc2C1)C[NH+]1CCOCC1 ZINC000218884881 395843940 /nfs/dbraw/zinc/84/39/40/395843940.db2.gz UOUFRHYSHLWRJU-UHFFFAOYSA-N 1 1 322.453 0.940 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCN(Cc2ccsc2)CC1 ZINC000051204654 395848234 /nfs/dbraw/zinc/84/82/34/395848234.db2.gz 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395914331 /nfs/dbraw/zinc/91/43/31/395914331.db2.gz RYDSMYRBDFXIAM-ZDUSSCGKSA-N 1 1 319.409 0.197 50 0 DCAAMO CC(C)n1cnnc1CN(C)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055414736 395918636 /nfs/dbraw/zinc/91/86/36/395918636.db2.gz ZHJAVTIJNQSVQR-LBPRGKRZSA-N 1 1 322.413 0.015 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2C[C@@H](O)CN2CCOCC2)n1 ZINC000229515135 395874548 /nfs/dbraw/zinc/87/45/48/395874548.db2.gz LPSVLSSURZZPFV-HOTGVXAUSA-N 1 1 323.441 0.052 50 0 DCAAMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000229457711 395874653 /nfs/dbraw/zinc/87/46/53/395874653.db2.gz BGQCNEMKLKBLDL-IAGOWNOFSA-N 1 1 317.433 0.816 50 0 DCAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000060524345 395963061 /nfs/dbraw/zinc/96/30/61/395963061.db2.gz DENVTQCCVNCDAK-QWHCGFSZSA-N 1 1 317.455 0.401 50 0 DCAAMO Cn1nccc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000063502417 395978644 /nfs/dbraw/zinc/97/86/44/395978644.db2.gz SQWIFJUVAOXLAZ-UHFFFAOYSA-N 1 1 313.405 0.972 50 0 DCAAMO 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/nfs/dbraw/zinc/03/03/52/396030352.db2.gz UFGNHGQPMVDBOP-QWHCGFSZSA-N 1 1 318.425 0.371 50 0 DCAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccncn1 ZINC000257180866 396033983 /nfs/dbraw/zinc/03/39/83/396033983.db2.gz DYADYOAVKGKZSP-GOEBONIOSA-N 1 1 312.373 0.699 50 0 DCAAMO CC(C)C[NH+]1CCc2nnc([C@H]3CC[N@@H+](CCO)C3)n2CC1 ZINC000257189511 396034684 /nfs/dbraw/zinc/03/46/84/396034684.db2.gz JBNZUYVZDAOJQQ-AWEZNQCLSA-N 1 1 307.442 0.574 50 0 DCAAMO Cc1noc([C@@]23C[N@H+](CCO)C[C@@H]2CCN(C(=O)C(C)C)C3)n1 ZINC000257187855 396035060 /nfs/dbraw/zinc/03/50/60/396035060.db2.gz CNSYVIMTQQKTFO-XJKSGUPXSA-N 1 1 322.409 0.428 50 0 DCAAMO CCC1=NO[C@H](C[NH+]2CCN(c3ccnc4nncn43)CC2)C1 ZINC000252483992 396020635 /nfs/dbraw/zinc/02/06/35/396020635.db2.gz FLSHNNJJYJCDFT-ZDUSSCGKSA-N 1 1 315.381 0.801 50 0 DCAAMO O=C(CC[N@@H+]1CCC[C@H]1CO)N1CCN(c2ccccn2)CC1 ZINC000069779577 396090150 /nfs/dbraw/zinc/09/01/50/396090150.db2.gz WYYWSGIJNRVMHT-HNNXBMFYSA-N 1 1 318.421 0.577 50 0 DCAAMO CCc1ncc2c(n1)C[N@@H+](C[C@H](O)CN1CCOCC1)CC2 ZINC000069878146 396093498 /nfs/dbraw/zinc/09/34/98/396093498.db2.gz JYRYWEQYSJCFTB-CQSZACIVSA-N 1 1 306.410 0.090 50 0 DCAAMO CCc1ncc2c(n1)C[N@H+](C[C@H](O)CN1CCOCC1)CC2 ZINC000069878146 396093501 /nfs/dbraw/zinc/09/35/01/396093501.db2.gz JYRYWEQYSJCFTB-CQSZACIVSA-N 1 1 306.410 0.090 50 0 DCAAMO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)CC2 ZINC000069893005 396093744 /nfs/dbraw/zinc/09/37/44/396093744.db2.gz FWUIGUWZQOSWNL-LSDHHAIUSA-N 1 1 307.442 0.584 50 0 DCAAMO Cc1nc2n(n1)C[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000069893005 396093745 /nfs/dbraw/zinc/09/37/45/396093745.db2.gz FWUIGUWZQOSWNL-LSDHHAIUSA-N 1 1 307.442 0.584 50 0 DCAAMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)CCO1 ZINC000071821634 396115910 /nfs/dbraw/zinc/11/59/10/396115910.db2.gz KOYIBBZIBQZFBJ-LLVKDONJSA-N 1 1 306.366 0.508 50 0 DCAAMO C[C@@H]1C[NH+](C[C@H](O)Cn2nc(-c3ccco3)oc2=O)C[C@@H](C)O1 ZINC000071825103 396117245 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287321289 /nfs/dbraw/zinc/32/12/89/287321289.db2.gz PXTKLOCBQPVCPA-QGZVFWFLSA-N 1 1 305.422 0.691 50 0 DCAAMO C[C@@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000153044450 415974912 /nfs/dbraw/zinc/97/49/12/415974912.db2.gz ITDRHTOWVSNQAT-GFCCVEGCSA-N 1 1 323.368 0.679 50 0 DCAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2cncc(F)c2)C1 ZINC000299768789 416066294 /nfs/dbraw/zinc/06/62/94/416066294.db2.gz MJCPOTMOWPDLMI-NSHDSACASA-N 1 1 323.372 0.930 50 0 DCAAMO COCC[N@H+]1CCC[C@H](C(=O)NCc2nc(C)cc(=O)[nH]2)C1 ZINC000299786080 416069322 /nfs/dbraw/zinc/06/93/22/416069322.db2.gz LWMPSIIADFXULI-LBPRGKRZSA-N 1 1 308.382 0.465 50 0 DCAAMO Cc1ccc2[nH]c(CCNC(=O)C[N@@H+]3CCC[C@@H](O)C3)nc2c1 ZINC000299799580 416071377 /nfs/dbraw/zinc/07/13/77/416071377.db2.gz SLUJFDSMGVCNIN-CYBMUJFWSA-N 1 1 316.405 0.987 50 0 DCAAMO Cc1ccc2[nH]c(CCNC(=O)C[N@H+]3CCC[C@@H](O)C3)nc2c1 ZINC000299799580 416071380 /nfs/dbraw/zinc/07/13/80/416071380.db2.gz SLUJFDSMGVCNIN-CYBMUJFWSA-N 1 1 316.405 0.987 50 0 DCAAMO 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CC[N@@H+](C1CN(C(=O)c2cc(C)n(C)n2)C1)C1CCN(C)CC1 ZINC000581799709 747692812 /nfs/dbraw/zinc/69/28/12/747692812.db2.gz MIVOBFWKMXYEBL-UHFFFAOYSA-N 1 1 319.453 0.969 50 0 DCAAMO CCN(C1CN(C(=O)c2cc(C)n(C)n2)C1)C1CC[NH+](C)CC1 ZINC000581799709 747692816 /nfs/dbraw/zinc/69/28/16/747692816.db2.gz MIVOBFWKMXYEBL-UHFFFAOYSA-N 1 1 319.453 0.969 50 0 DCAAMO CCN1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000823112821 758225114 /nfs/dbraw/zinc/22/51/14/758225114.db2.gz HEKOHCXUPDFXKI-MRXNPFEDSA-N 1 1 310.486 0.813 50 0 DCAAMO CCN1CCN(CC(=O)N(C)C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000823112821 758225125 /nfs/dbraw/zinc/22/51/25/758225125.db2.gz HEKOHCXUPDFXKI-MRXNPFEDSA-N 1 1 310.486 0.813 50 0 DCAAMO Nc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)cc(N2CCOCC2)n1 ZINC000827587273 758869342 /nfs/dbraw/zinc/86/93/42/758869342.db2.gz YAQZKNFTWCGXHC-GFCCVEGCSA-N 1 1 318.425 0.792 50 0 DCAAMO Cc1n[nH]c(CCC(=O)NCC[N@H+]2CCCC[C@H]2CO)c1C ZINC000828710773 759072372 /nfs/dbraw/zinc/07/23/72/759072372.db2.gz 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/nfs/dbraw/zinc/17/40/59/185174059.db2.gz VKRYXHWDFFGTCK-UHFFFAOYSA-N 1 1 323.360 0.701 50 0 DCAAMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C(C)(C)C1 ZINC000095452477 185369209 /nfs/dbraw/zinc/36/92/09/185369209.db2.gz UPFPCEDGGXFQHI-UHFFFAOYSA-N 1 1 311.451 0.991 50 0 DCAAMO CNS(=O)(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C)cc1 ZINC000071760824 191025988 /nfs/dbraw/zinc/02/59/88/191025988.db2.gz VMHZGIWTKYPVAE-NSHDSACASA-N 1 1 313.423 0.503 50 0 DCAAMO CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)cc1 ZINC000071760824 191025990 /nfs/dbraw/zinc/02/59/90/191025990.db2.gz VMHZGIWTKYPVAE-NSHDSACASA-N 1 1 313.423 0.503 50 0 DCAAMO CNc1nc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCCC2)cs1 ZINC000072138820 191047605 /nfs/dbraw/zinc/04/76/05/191047605.db2.gz FUEVFNFNSPLHQT-LLVKDONJSA-N 1 1 323.422 0.221 50 0 DCAAMO COc1cc(C)sc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072153900 191057318 /nfs/dbraw/zinc/05/73/18/191057318.db2.gz AUZRDLFFVWIEIA-LLVKDONJSA-N 1 1 323.418 0.758 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000072268874 191091666 /nfs/dbraw/zinc/09/16/66/191091666.db2.gz DBDDHCLMEKKIRT-AWEZNQCLSA-N 1 1 305.378 0.314 50 0 DCAAMO C[NH+]1CCC(N(Cc2ccncc2)C(=O)[C@@H]2CNCCO2)CC1 ZINC000072411292 282697152 /nfs/dbraw/zinc/69/71/52/282697152.db2.gz NUBRMTQOMHQNRI-INIZCTEOSA-N 1 1 318.421 0.493 50 0 DCAAMO CN(C)C(=O)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000072294610 191110980 /nfs/dbraw/zinc/11/09/80/191110980.db2.gz JCMQSQHTNXXGOG-AWEZNQCLSA-N 1 1 305.378 0.092 50 0 DCAAMO CN(C)C(=O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000072294610 191110983 /nfs/dbraw/zinc/11/09/83/191110983.db2.gz JCMQSQHTNXXGOG-AWEZNQCLSA-N 1 1 305.378 0.092 50 0 DCAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCC2)cn1 ZINC000253408007 186308433 /nfs/dbraw/zinc/30/84/33/186308433.db2.gz RWBVFHVNQKAXQJ-UHFFFAOYSA-N 1 1 313.361 0.814 50 0 DCAAMO C[NH+](C)Cc1csc(C[N@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c1 ZINC000072411882 191156168 /nfs/dbraw/zinc/15/61/68/191156168.db2.gz 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/nfs/dbraw/zinc/91/30/30/192913030.db2.gz ICXHBISOZXPVLL-CQSZACIVSA-N 1 1 321.421 0.826 50 0 DCAAMO C[N@@H+]1CCN(C(=O)c2ccc(CO)o2)C[C@@]12CCNC(=O)CC2 ZINC000091693920 193093136 /nfs/dbraw/zinc/09/31/36/193093136.db2.gz CGJJRHKDKMUBHQ-MRXNPFEDSA-N 1 1 321.377 0.198 50 0 DCAAMO C[N@H+]1CCN(C(=O)c2ccc(CO)o2)C[C@@]12CCNC(=O)CC2 ZINC000091693920 193093138 /nfs/dbraw/zinc/09/31/38/193093138.db2.gz CGJJRHKDKMUBHQ-MRXNPFEDSA-N 1 1 321.377 0.198 50 0 DCAAMO COc1ccc(COC[C@H](O)C[NH+]2CCOCC2)cc1OC ZINC000019338615 182116776 /nfs/dbraw/zinc/11/67/76/182116776.db2.gz MABSQKAHKUSDJJ-CQSZACIVSA-N 1 1 311.378 0.914 50 0 DCAAMO CCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000022972212 182343970 /nfs/dbraw/zinc/34/39/70/182343970.db2.gz BFDVTZAKPDALSG-OAHLLOKOSA-N 1 1 317.389 0.965 50 0 DCAAMO CC[N@@H+](CCO)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000024672475 182386939 /nfs/dbraw/zinc/38/69/39/182386939.db2.gz ALMSBRPXOCTGPW-UHFFFAOYSA-N 1 1 316.423 0.630 50 0 DCAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000056640776 184016600 /nfs/dbraw/zinc/01/66/00/184016600.db2.gz DRGRFPWGNJRDQD-UHFFFAOYSA-N 1 1 303.362 0.725 50 0 DCAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCNC(=O)C1 ZINC000057139046 184028229 /nfs/dbraw/zinc/02/82/29/184028229.db2.gz KRSNWSUSYFBCFO-OAHLLOKOSA-N 1 1 301.390 0.857 50 0 DCAAMO CCOc1ccc(C[N@@H+]2CCN3CCN(C)C(=O)[C@@H]3C2)cn1 ZINC000065370231 184329462 /nfs/dbraw/zinc/32/94/62/184329462.db2.gz ULVWFAGXIFIVFN-AWEZNQCLSA-N 1 1 304.394 0.439 50 0 DCAAMO CCOc1ccc(C[N@H+]2CCN3CCN(C)C(=O)[C@@H]3C2)cn1 ZINC000065370231 184329464 /nfs/dbraw/zinc/32/94/64/184329464.db2.gz ULVWFAGXIFIVFN-AWEZNQCLSA-N 1 1 304.394 0.439 50 0 DCAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CC(n3nc(C)cc3C)C2)C1 ZINC000065407359 184339208 /nfs/dbraw/zinc/33/92/08/184339208.db2.gz RBBPPCWSUUXDNW-CQSZACIVSA-N 1 1 306.410 0.852 50 0 DCAAMO Cc1nn(C)c(N2CCOCC2)c1CNC[C@H]1CCC[N@@H+]1C ZINC000065478061 184352434 /nfs/dbraw/zinc/35/24/34/184352434.db2.gz HHCNLHXPHYTEKR-CQSZACIVSA-N 1 1 307.442 0.749 50 0 DCAAMO Cc1nn(C)c(N2CCOCC2)c1CNC[C@H]1CCC[N@H+]1C ZINC000065478061 184352436 /nfs/dbraw/zinc/35/24/36/184352436.db2.gz HHCNLHXPHYTEKR-CQSZACIVSA-N 1 1 307.442 0.749 50 0 DCAAMO NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000065536990 184362237 /nfs/dbraw/zinc/36/22/37/184362237.db2.gz BLRPMIALKXHSPO-NSHDSACASA-N 1 1 324.406 0.692 50 0 DCAAMO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)N1CCNC(=O)C1 ZINC000065553485 184365283 /nfs/dbraw/zinc/36/52/83/184365283.db2.gz WYBHHLQKBNCDCT-HNNXBMFYSA-N 1 1 319.380 0.791 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)N1CCNC(=O)C1 ZINC000065553485 184365284 /nfs/dbraw/zinc/36/52/84/184365284.db2.gz WYBHHLQKBNCDCT-HNNXBMFYSA-N 1 1 319.380 0.791 50 0 DCAAMO CCO[C@H]1C[N@@H+](CC)C[C@@H]1NC(=O)c1nnc2nc(C)ccn21 ZINC000426689157 257244014 /nfs/dbraw/zinc/24/40/14/257244014.db2.gz JHDBPJPTOUHIMA-RYUDHWBXSA-N 1 1 318.381 0.272 50 0 DCAAMO CC(C)c1nccc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000426623187 257245083 /nfs/dbraw/zinc/24/50/83/257245083.db2.gz HPOJBXRDAZCWGE-GFCCVEGCSA-N 1 1 319.409 0.527 50 0 DCAAMO CC(=O)N[C@@H](C1=CCC[N@@H+](CCNC(N)=O)C1)C(F)(F)F ZINC000065381070 685062838 /nfs/dbraw/zinc/06/28/38/685062838.db2.gz UDPBQANENPVKHG-JTQLQIEISA-N 1 1 308.304 0.354 50 0 DCAAMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCNC(=O)C2)c1 ZINC000009903266 395685537 /nfs/dbraw/zinc/68/55/37/395685537.db2.gz LFLYTVKBZFNPSU-OAHLLOKOSA-N 1 1 317.389 0.791 50 0 DCAAMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCNC(=O)C2)c1 ZINC000009903266 395685538 /nfs/dbraw/zinc/68/55/38/395685538.db2.gz LFLYTVKBZFNPSU-OAHLLOKOSA-N 1 1 317.389 0.791 50 0 DCAAMO c1ccc(-n2nnnc2N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000014014667 395688998 /nfs/dbraw/zinc/68/89/98/395688998.db2.gz DVSFYIBCKWFLJW-OAHLLOKOSA-N 1 1 314.393 0.963 50 0 DCAAMO C[NH+](C)CCNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000000425335 395680432 /nfs/dbraw/zinc/68/04/32/395680432.db2.gz MMCZSCQRFSTAAT-UHFFFAOYSA-N 1 1 306.391 0.737 50 0 DCAAMO CC[C@](C)(CNC(=O)[C@@H](NC(C)=O)C(C)C)[NH+]1CCOCC1 ZINC000031930652 395708640 /nfs/dbraw/zinc/70/86/40/395708640.db2.gz LDXKMBRTAGNHLZ-GOEBONIOSA-N 1 1 313.442 0.764 50 0 DCAAMO NC(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000032804123 395713907 /nfs/dbraw/zinc/71/39/07/395713907.db2.gz FBFAUIIAZBVLSF-UHFFFAOYSA-N 1 1 301.390 0.769 50 0 DCAAMO Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089729924 395714377 /nfs/dbraw/zinc/71/43/77/395714377.db2.gz GEIJAJMXCJLUBO-GFCCVEGCSA-N 1 1 314.389 0.867 50 0 DCAAMO Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089729924 395714380 /nfs/dbraw/zinc/71/43/80/395714380.db2.gz GEIJAJMXCJLUBO-GFCCVEGCSA-N 1 1 314.389 0.867 50 0 DCAAMO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CCN1c1nccs1 ZINC000089939426 395717084 /nfs/dbraw/zinc/71/70/84/395717084.db2.gz YYRVSEPITRZPCJ-SNVBAGLBSA-N 1 1 309.395 0.205 50 0 DCAAMO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCN1c1nccs1 ZINC000089939426 395717087 /nfs/dbraw/zinc/71/70/87/395717087.db2.gz 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50 0 DCAAMO CCCn1ncc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N(C)C3=O)c1C ZINC001704331099 1179975625 /nfs/dbraw/zinc/97/56/25/1179975625.db2.gz NWIZDNAHBLGYNG-CABCVRRESA-N 1 1 306.410 0.891 50 0 DCAAMO COc1ccnc(C[N@@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)c1 ZINC001704358754 1179984948 /nfs/dbraw/zinc/98/49/48/1179984948.db2.gz RXQHWCXRSVZYGY-MLGOLLRUSA-N 1 1 300.362 0.916 50 0 DCAAMO O=C1CC[C@@H]([N@@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)CCN1CC1CC1 ZINC001529144368 1014504546 /nfs/dbraw/zinc/50/45/46/1014504546.db2.gz ZLGIGWKNBOEKPW-BPKGMFCQSA-N 1 1 322.449 0.841 50 0 DCAAMO O=C(CCn1cnnc1)N1CCC[N@H+](Cc2ccoc2)CC1 ZINC001529142174 1014504884 /nfs/dbraw/zinc/50/48/84/1014504884.db2.gz GWOBPVXBAYKPIX-UHFFFAOYSA-N 1 1 303.366 0.996 50 0 DCAAMO O=C(CCn1cnnc1)N1CCC[N@@H+](Cc2ccoc2)CC1 ZINC001529142174 1014504896 /nfs/dbraw/zinc/50/48/96/1014504896.db2.gz GWOBPVXBAYKPIX-UHFFFAOYSA-N 1 1 303.366 0.996 50 0 DCAAMO COCCn1cnnc1CCNc1nc(N(C)C)c(C)c[nH+]1 ZINC001529174447 1014512979 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C[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 ZINC000004373770 181103023 /nfs/dbraw/zinc/10/30/23/181103023.db2.gz GYDIMRVZEILFNH-CYBMUJFWSA-N 1 1 320.368 0.888 50 0 DCAAMO O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1COCC[NH2+]1 ZINC000237906092 202386755 /nfs/dbraw/zinc/38/67/55/202386755.db2.gz RASJRDQRDYNSKE-SNVBAGLBSA-N 1 1 319.283 0.627 50 0 DCAAMO Cc1cnc(C)nc1N[C@H]1C[N@@H+](C(CO)CO)C[C@@H]1C(C)C ZINC000091518606 193068098 /nfs/dbraw/zinc/06/80/98/193068098.db2.gz FWZAGJXZOPCKHZ-CABCVRRESA-N 1 1 308.426 0.815 50 0 DCAAMO O=C(C[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2O)NCCc1ccccc1 ZINC000091602775 193078625 /nfs/dbraw/zinc/07/86/25/193078625.db2.gz ABSHBJAKKVGDEN-IYBDPMFKSA-N 1 1 318.417 0.553 50 0 DCAAMO CN(Cc1cccnc1Cl)C(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000091474507 193061310 /nfs/dbraw/zinc/06/13/10/193061310.db2.gz KBGJURNAVGVARK-UHFFFAOYSA-N 1 1 324.812 0.891 50 0 DCAAMO Cc1nc(CCNC(=O)CC[C@@H]2CCC[N@H+](C)C2)cc(=O)[nH]1 ZINC000091645766 193085043 /nfs/dbraw/zinc/08/50/43/193085043.db2.gz 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/nfs/dbraw/zinc/33/97/94/182339794.db2.gz YAJLQTJZGLPIHS-UHFFFAOYSA-N 1 1 309.385 0.706 50 0 DCAAMO C[C@@H](CNC(=O)CN1CCSC1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040512351 183087498 /nfs/dbraw/zinc/08/74/98/183087498.db2.gz XESXOAPBEKMULF-SDDRHHMPSA-N 1 1 315.439 0.769 50 0 DCAAMO C[C@@H](CNC(=O)CN1CCSC1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040512351 183087499 /nfs/dbraw/zinc/08/74/99/183087499.db2.gz XESXOAPBEKMULF-SDDRHHMPSA-N 1 1 315.439 0.769 50 0 DCAAMO COC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccco1 ZINC000110655118 194347336 /nfs/dbraw/zinc/34/73/36/194347336.db2.gz RAIYGHWSSBTNFB-CHWSQXEVSA-N 1 1 310.398 0.512 50 0 DCAAMO Cn1cc(-c2nc(CN3CC[NH+](CCO)CC3)cs2)cn1 ZINC000060460705 184149514 /nfs/dbraw/zinc/14/95/14/184149514.db2.gz MYCFSMJWCZVRQD-UHFFFAOYSA-N 1 1 307.423 0.654 50 0 DCAAMO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000065541580 184363580 /nfs/dbraw/zinc/36/35/80/184363580.db2.gz HHSLRBLDISOZMH-NSHDSACASA-N 1 1 308.382 0.805 50 0 DCAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000065586501 184369150 /nfs/dbraw/zinc/36/91/50/184369150.db2.gz GJWMHOGELKNHPO-VXGBXAGGSA-N 1 1 317.455 0.162 50 0 DCAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000065586501 184369151 /nfs/dbraw/zinc/36/91/51/184369151.db2.gz GJWMHOGELKNHPO-VXGBXAGGSA-N 1 1 317.455 0.162 50 0 DCAAMO CC(=O)NCCNC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000065593614 184370322 /nfs/dbraw/zinc/37/03/22/184370322.db2.gz AQGDKMWVHOTTBA-CQSZACIVSA-N 1 1 319.409 0.068 50 0 DCAAMO COc1c(C[NH2+]CCS(=O)(=O)NC(C)(C)C)c(C)nn1C ZINC000065514475 184358091 /nfs/dbraw/zinc/35/80/91/184358091.db2.gz XVDARDNMPGPYSA-UHFFFAOYSA-N 1 1 318.443 0.545 50 0 DCAAMO Cc1[nH+]ccn1CCNC(=O)c1cccc(OCC(N)=O)c1 ZINC000346546200 254065896 /nfs/dbraw/zinc/06/58/96/254065896.db2.gz GWWVSACXEADKBB-UHFFFAOYSA-N 1 1 302.334 0.486 50 0 DCAAMO COC[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000253431829 285229296 /nfs/dbraw/zinc/22/92/96/285229296.db2.gz 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CCOC[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000069744595 396089545 /nfs/dbraw/zinc/08/95/45/396089545.db2.gz ASUNTQQOYKXAKK-GFCCVEGCSA-N 1 1 315.801 0.823 50 0 DCAAMO CC[NH+]1CCN(c2nc3c(s2)CN(C(=O)COC)CC3)CC1 ZINC000169751811 396090808 /nfs/dbraw/zinc/09/08/08/396090808.db2.gz DCBXEZIHHLGJGI-UHFFFAOYSA-N 1 1 324.450 0.816 50 0 DCAAMO COc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000069844284 396091943 /nfs/dbraw/zinc/09/19/43/396091943.db2.gz OESQHUFATLYIBF-JSGCOSHPSA-N 1 1 319.405 0.897 50 0 DCAAMO COc1cc(C)nc(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000069844265 396091979 /nfs/dbraw/zinc/09/19/79/396091979.db2.gz IOGOAQYQBULRDL-UHFFFAOYSA-N 1 1 321.425 0.782 50 0 DCAAMO CCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000069895844 396093736 /nfs/dbraw/zinc/09/37/36/396093736.db2.gz FURYQHCOYMGQRR-AWEZNQCLSA-N 1 1 303.472 0.828 50 0 DCAAMO CCc1ncc2c(n1)C[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000069951852 396096312 /nfs/dbraw/zinc/09/63/12/396096312.db2.gz 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/nfs/dbraw/zinc/12/18/92/396121892.db2.gz AZMZPZMPLKPQPZ-CQSZACIVSA-N 1 1 307.398 0.428 50 0 DCAAMO C[C@]1([C@H]2CCC[N@@H+](CC(=O)NCC3CCC3)C2)NC(=O)NC1=O ZINC000072300683 396130638 /nfs/dbraw/zinc/13/06/38/396130638.db2.gz MOFZTVBUWLTVPQ-BLLLJJGKSA-N 1 1 322.409 0.213 50 0 DCAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCCC[C@@H]2Cn2cncn2)CCO1 ZINC000069493042 396080053 /nfs/dbraw/zinc/08/00/53/396080053.db2.gz NOGBPFZHDFPSPO-ZIAGYGMSSA-N 1 1 307.398 0.380 50 0 DCAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCCC[C@@H]2Cn2cncn2)CCO1 ZINC000069493042 396080056 /nfs/dbraw/zinc/08/00/56/396080056.db2.gz NOGBPFZHDFPSPO-ZIAGYGMSSA-N 1 1 307.398 0.380 50 0 DCAAMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000069625285 396084485 /nfs/dbraw/zinc/08/44/85/396084485.db2.gz DYKGYJZWIHBTBU-KKUMJFAQSA-N 1 1 310.398 0.299 50 0 DCAAMO CC[C@H]1CN(C(=O)C[NH+]2CCC(N3CCNC3=O)CC2)CCO1 ZINC000069630993 396085314 /nfs/dbraw/zinc/08/53/14/396085314.db2.gz LYHDVMZQBGASPF-AWEZNQCLSA-N 1 1 324.425 0.113 50 0 DCAAMO NC(=O)CO[C@H]1CC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000075094054 396176077 /nfs/dbraw/zinc/17/60/77/396176077.db2.gz IKCVHGWQQCZYQR-GOEBONIOSA-N 1 1 317.389 0.583 50 0 DCAAMO NC(=O)CO[C@H]1CC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000075094054 396176078 /nfs/dbraw/zinc/17/60/78/396176078.db2.gz IKCVHGWQQCZYQR-GOEBONIOSA-N 1 1 317.389 0.583 50 0 DCAAMO CC(=O)N1CCCC[C@H]1CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000075603018 396182732 /nfs/dbraw/zinc/18/27/32/396182732.db2.gz VIKVLTMTGDSQFW-HIFRSBDPSA-N 1 1 311.426 0.303 50 0 DCAAMO Cc1cc(C)n2cc(C[N@H+]3CCc4nn(C)c(=O)cc4C3)nc2n1 ZINC000076064762 396195826 /nfs/dbraw/zinc/19/58/26/396195826.db2.gz KJJNZVQQOPFXLQ-UHFFFAOYSA-N 1 1 324.388 0.998 50 0 DCAAMO Cc1cc(C)n2cc(C[N@@H+]3CCc4nn(C)c(=O)cc4C3)nc2n1 ZINC000076064762 396195828 /nfs/dbraw/zinc/19/58/28/396195828.db2.gz KJJNZVQQOPFXLQ-UHFFFAOYSA-N 1 1 324.388 0.998 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2C)CC1 ZINC000084124219 396318186 /nfs/dbraw/zinc/31/81/86/396318186.db2.gz JPUCDDWRABFHSB-BLLLJJGKSA-N 1 1 306.410 0.967 50 0 DCAAMO Cn1nccc1[C@H]1[C@H]([NH2+]CC(=O)N2CCC2)CC(=O)N1C1CC1 ZINC000285139096 396348458 /nfs/dbraw/zinc/34/84/58/396348458.db2.gz OOCLFESKEYCYPU-MLGOLLRUSA-N 1 1 317.393 0.046 50 0 DCAAMO Nc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)ccn1 ZINC000193407790 396450823 /nfs/dbraw/zinc/45/08/23/396450823.db2.gz ZLDNMMDHQKLBOO-ZDUSSCGKSA-N 1 1 310.423 0.664 50 0 DCAAMO Nc1cc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)ccn1 ZINC000193407790 396450825 /nfs/dbraw/zinc/45/08/25/396450825.db2.gz ZLDNMMDHQKLBOO-ZDUSSCGKSA-N 1 1 310.423 0.664 50 0 DCAAMO O=S(=O)(N1CCCC1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000584888882 396633034 /nfs/dbraw/zinc/63/30/34/396633034.db2.gz HPRLGKZDOWFOKG-GFCCVEGCSA-N 1 1 305.469 0.450 50 0 DCAAMO COCC[N@H+]1CC[C@H](C(=O)NC2(C(N)=O)CCCCCC2)C1 ZINC000584892189 396633936 /nfs/dbraw/zinc/63/39/36/396633936.db2.gz VIWVBMSFWCQHFM-ZDUSSCGKSA-N 1 1 311.426 0.649 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)NCc2ccc3[nH]cnc3c2)CC1 ZINC000584893797 396635053 /nfs/dbraw/zinc/63/50/53/396635053.db2.gz KPPJXGGKCUFOOJ-UHFFFAOYSA-N 1 1 301.394 0.817 50 0 DCAAMO C[N@@H+]1CCCN(CC(=O)NCc2ccc3nc[nH]c3c2)CC1 ZINC000584893797 396635054 /nfs/dbraw/zinc/63/50/54/396635054.db2.gz KPPJXGGKCUFOOJ-UHFFFAOYSA-N 1 1 301.394 0.817 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)NCc2ccc3nc[nH]c3c2)CC1 ZINC000584893797 396635055 /nfs/dbraw/zinc/63/50/55/396635055.db2.gz KPPJXGGKCUFOOJ-UHFFFAOYSA-N 1 1 301.394 0.817 50 0 DCAAMO CC(C)O[C@H]1CN(C(=O)CCC[NH+]2CCOCC2)C[C@@H]1O ZINC000584901334 396637333 /nfs/dbraw/zinc/63/73/33/396637333.db2.gz XSQYLDYCYXHUKK-KBPBESRZSA-N 1 1 300.399 0.096 50 0 DCAAMO CC(C)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000019796868 415152923 /nfs/dbraw/zinc/15/29/23/415152923.db2.gz SXFJTQVRZHWHDC-STQMWFEESA-N 1 1 317.432 0.624 50 0 DCAAMO C[NH+]1CCN(C(=O)CCCn2nnc3ccccc3c2=O)CC1 ZINC000020547793 415153363 /nfs/dbraw/zinc/15/33/63/415153363.db2.gz WEJUHJXYBGOALD-UHFFFAOYSA-N 1 1 315.377 0.346 50 0 DCAAMO CC[N@H+]1CCC[C@](O)(CN2CCN(c3cnccn3)CC2)C1 ZINC000046087863 415255842 /nfs/dbraw/zinc/25/58/42/415255842.db2.gz QWYCQIMYMCWPTJ-MRXNPFEDSA-N 1 1 305.426 0.445 50 0 DCAAMO COc1ccc(NC(=O)NC2CC[NH+](CC(N)=O)CC2)cn1 ZINC000048019158 415283083 /nfs/dbraw/zinc/28/30/83/415283083.db2.gz AKLANOQNLWEAFP-UHFFFAOYSA-N 1 1 307.354 0.161 50 0 DCAAMO CN(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000072163727 415409373 /nfs/dbraw/zinc/40/93/73/415409373.db2.gz IICBFIOJWHIAKO-HNNXBMFYSA-N 1 1 303.406 0.898 50 0 DCAAMO CN(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000072163727 415409381 /nfs/dbraw/zinc/40/93/81/415409381.db2.gz IICBFIOJWHIAKO-HNNXBMFYSA-N 1 1 303.406 0.898 50 0 DCAAMO CC[C@@H](C)n1nccc1NC(=O)[C@H](C)N1CC[NH+](CCO)CC1 ZINC000066863411 415369134 /nfs/dbraw/zinc/36/91/34/415369134.db2.gz ONBPVLPHZAIKGP-KGLIPLIRSA-N 1 1 323.441 0.791 50 0 DCAAMO CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CC[NH+](CCO)CC1 ZINC000066863410 415371529 /nfs/dbraw/zinc/37/15/29/415371529.db2.gz ONBPVLPHZAIKGP-UONOGXRCSA-N 1 1 323.441 0.791 50 0 DCAAMO CCc1c(C)nn(CC(=O)NCC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000067740553 415384132 /nfs/dbraw/zinc/38/41/32/415384132.db2.gz HDHARNJBVYMXAQ-CQSZACIVSA-N 1 1 308.426 0.899 50 0 DCAAMO CCc1c(C)nn(CC(=O)NCC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000067740553 415384142 /nfs/dbraw/zinc/38/41/42/415384142.db2.gz HDHARNJBVYMXAQ-CQSZACIVSA-N 1 1 308.426 0.899 50 0 DCAAMO CC(C)C[N@H+]1CCCN(C(=O)CCCS(N)(=O)=O)CC1 ZINC000067688467 415386445 /nfs/dbraw/zinc/38/64/45/415386445.db2.gz CUSPEWDRXKINEG-UHFFFAOYSA-N 1 1 305.444 0.245 50 0 DCAAMO Nc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000067851355 415390867 /nfs/dbraw/zinc/39/08/67/415390867.db2.gz YKJRRMNBWMALOE-JTQLQIEISA-N 1 1 318.356 0.778 50 0 DCAAMO CC[C@@H]1CN(CC(=O)Nc2nccs2)CC[N@H+]1C[C@@H](C)O ZINC000084736458 415500893 /nfs/dbraw/zinc/50/08/93/415500893.db2.gz QSUUWYJILMVZSC-VXGBXAGGSA-N 1 1 312.439 0.859 50 0 DCAAMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000075132986 415437687 /nfs/dbraw/zinc/43/76/87/415437687.db2.gz YNYBKVLBNFJRLR-MGPQQGTHSA-N 1 1 307.398 0.426 50 0 DCAAMO O=C(C[N@H+]1CCCC[C@H]1CCn1cccn1)N1CCOCC1 ZINC000077337238 415462260 /nfs/dbraw/zinc/46/22/60/415462260.db2.gz WBISYWOQPQNTIC-HNNXBMFYSA-N 1 1 306.410 0.987 50 0 DCAAMO COCCN1CCC[C@@]2(CC[N@@H+](CCc3cnn(C)c3)C2)C1=O ZINC000091410545 415533738 /nfs/dbraw/zinc/53/37/38/415533738.db2.gz QVTMPCLYGRVUTN-KRWDZBQOSA-N 1 1 320.437 0.924 50 0 DCAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCCc2nc(COC)no2)C1 ZINC000095375565 415558601 /nfs/dbraw/zinc/55/86/01/415558601.db2.gz DCGNPZCDIJGROO-HNNXBMFYSA-N 1 1 310.398 0.997 50 0 DCAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCCc2nc(N)cc(=O)[nH]2)C1 ZINC000095383919 415558719 /nfs/dbraw/zinc/55/87/19/415558719.db2.gz AWFYXJZYODGEDU-OAHLLOKOSA-N 1 1 307.398 0.133 50 0 DCAAMO Cc1noc(CN2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)n1 ZINC000095951883 415563857 /nfs/dbraw/zinc/56/38/57/415563857.db2.gz KAXQUUSMZBUMHK-UHFFFAOYSA-N 1 1 303.366 0.395 50 0 DCAAMO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000097033540 415581898 /nfs/dbraw/zinc/58/18/98/415581898.db2.gz GBPBSNNLWKKEDB-KWQFWETISA-N 1 1 300.355 0.768 50 0 DCAAMO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000097033539 415582124 /nfs/dbraw/zinc/58/21/24/415582124.db2.gz GBPBSNNLWKKEDB-LDYMZIIASA-N 1 1 300.355 0.768 50 0 DCAAMO CC[C@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)CC[N@H+]1C[C@H](C)O ZINC000106869324 415653545 /nfs/dbraw/zinc/65/35/45/415653545.db2.gz LLNNGOPJLMHJCG-FZMZJTMJSA-N 1 1 323.441 0.742 50 0 DCAAMO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000107348260 415663091 /nfs/dbraw/zinc/66/30/91/415663091.db2.gz XKFSGPAPYXTYEO-WDEREUQCSA-N 1 1 302.421 0.890 50 0 DCAAMO O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000107348260 415663095 /nfs/dbraw/zinc/66/30/95/415663095.db2.gz XKFSGPAPYXTYEO-WDEREUQCSA-N 1 1 302.421 0.890 50 0 DCAAMO C[N@H+]1CCN(Cc2nnc(C3CC3)o2)C[C@@]12CCNC(=O)CC2 ZINC000107646473 415672020 /nfs/dbraw/zinc/67/20/20/415672020.db2.gz IFFRCYUDZGMJMH-MRXNPFEDSA-N 1 1 319.409 0.733 50 0 DCAAMO CNC(=O)CC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425985362 287321155 /nfs/dbraw/zinc/32/11/55/287321155.db2.gz PXTKLOCBQPVCPA-KRWDZBQOSA-N 1 1 305.422 0.691 50 0 DCAAMO CNC(=O)CCN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425985362 287321170 /nfs/dbraw/zinc/32/11/70/287321170.db2.gz PXTKLOCBQPVCPA-KRWDZBQOSA-N 1 1 305.422 0.691 50 0 DCAAMO CNC(=O)CCN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425985362 287321172 /nfs/dbraw/zinc/32/11/72/287321172.db2.gz PXTKLOCBQPVCPA-KRWDZBQOSA-N 1 1 305.422 0.691 50 0 DCAAMO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[NH2+]C[C@H]2C)n[nH]1 ZINC000125340213 415865063 /nfs/dbraw/zinc/86/50/63/415865063.db2.gz RTVINOYBOVZDNF-SECBINFHSA-N 1 1 302.382 0.861 50 0 DCAAMO CN(C)c1ncc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)cn1 ZINC000299800271 416070638 /nfs/dbraw/zinc/07/06/38/416070638.db2.gz UWSPMJLUAGWUQM-KBPBESRZSA-N 1 1 315.381 0.480 50 0 DCAAMO Cc1nc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)n(C)c1C ZINC000299800715 416071033 /nfs/dbraw/zinc/07/10/33/416071033.db2.gz IMKMQDSPELBBLR-KBPBESRZSA-N 1 1 302.382 0.974 50 0 DCAAMO Cc1nc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)n(C)c1C ZINC000299800715 416071036 /nfs/dbraw/zinc/07/10/36/416071036.db2.gz IMKMQDSPELBBLR-KBPBESRZSA-N 1 1 302.382 0.974 50 0 DCAAMO CCn1nc(C)c(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000299802101 416071128 /nfs/dbraw/zinc/07/11/28/416071128.db2.gz XHKYNZYOJZIAGY-CYBMUJFWSA-N 1 1 321.425 0.447 50 0 DCAAMO COc1cccc(CNC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)c1 ZINC000225502613 416327752 /nfs/dbraw/zinc/32/77/52/416327752.db2.gz AFVUBKBRORSHBT-OLZOCXBDSA-N 1 1 310.394 0.375 50 0 DCAAMO CC[N@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](C)C1 ZINC000240321590 416329982 /nfs/dbraw/zinc/32/99/82/416329982.db2.gz FAOHNNQXIIHULG-LBPRGKRZSA-N 1 1 315.377 0.344 50 0 DCAAMO CCOCC[N@H+]1CCN(CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC000241719853 416330338 /nfs/dbraw/zinc/33/03/38/416330338.db2.gz QQFJLWGKNKUBNW-CQSZACIVSA-N 1 1 321.487 0.311 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@@](O)(CO)CC1)NCCc1ccc(F)cc1 ZINC000244715971 416330715 /nfs/dbraw/zinc/33/07/15/416330715.db2.gz LFZVWRVGNZOJID-KRWDZBQOSA-N 1 1 324.396 0.694 50 0 DCAAMO Cc1ccc(NCCCNC(=O)CN2CCN(C)C2=O)[nH+]c1 ZINC000426359861 416761577 /nfs/dbraw/zinc/76/15/77/416761577.db2.gz NSDDFMJXFVLNDK-UHFFFAOYSA-N 1 1 305.382 0.676 50 0 DCAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCc2nc(N)nc(N(C)C)n2)C1 ZINC000426374423 416762453 /nfs/dbraw/zinc/76/24/53/416762453.db2.gz SQFCBSNJSZBUPU-HNNXBMFYSA-N 1 1 321.429 0.258 50 0 DCAAMO OCCNc1nc(N2CCSCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426711311 416781303 /nfs/dbraw/zinc/78/13/03/416781303.db2.gz LKMGVFDEWWTNCC-NSHDSACASA-N 1 1 310.423 0.938 50 0 DCAAMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000584907895 546302646 /nfs/dbraw/zinc/30/26/46/546302646.db2.gz VZUSDDHJYHUASX-UHFFFAOYSA-N 1 1 319.361 0.261 50 0 DCAAMO CCCN(Cc1nccn1C)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952980847 685601191 /nfs/dbraw/zinc/60/11/91/685601191.db2.gz RPDIROKJHOHWBL-ZDUSSCGKSA-N 1 1 321.425 0.356 50 0 DCAAMO O=C1[C@@H]2CSCN2C(=O)[C@H]2C[N@@H+](CC3CCCCC3)CCN12 ZINC000014750564 685048569 /nfs/dbraw/zinc/04/85/69/685048569.db2.gz UGZQCTGVKGJVEK-KGLIPLIRSA-N 1 1 323.462 0.995 50 0 DCAAMO CC(=O)N[C@H](C1=CCC[N@H+](CCNC(N)=O)C1)C(F)(F)F ZINC000065381071 685063574 /nfs/dbraw/zinc/06/35/74/685063574.db2.gz UDPBQANENPVKHG-SNVBAGLBSA-N 1 1 308.304 0.354 50 0 DCAAMO CC(=O)N[C@H](C1=CCC[N@@H+](CCNC(N)=O)C1)C(F)(F)F ZINC000065381071 685063584 /nfs/dbraw/zinc/06/35/84/685063584.db2.gz UDPBQANENPVKHG-SNVBAGLBSA-N 1 1 308.304 0.354 50 0 DCAAMO COCc1cc(CN(C)c2nc(N)nc3c2CC[NH2+]CC3)n[nH]1 ZINC000072438701 685074689 /nfs/dbraw/zinc/07/46/89/685074689.db2.gz XTTGYLFOQPEONT-UHFFFAOYSA-N 1 1 317.397 0.253 50 0 DCAAMO CC(C)c1cc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)no1 ZINC000082107227 685082634 /nfs/dbraw/zinc/08/26/34/685082634.db2.gz UEHLJPKEXLSLAD-NSHDSACASA-N 1 1 308.382 0.725 50 0 DCAAMO C[C@@H](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)Cc1cccc(F)c1 ZINC000585128957 1158818139 /nfs/dbraw/zinc/81/81/39/1158818139.db2.gz SCVXACFRJOKUJE-CXAGYDPISA-N 1 1 324.396 0.862 50 0 DCAAMO CN(C)c1ccc(C[N@@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)cn1 ZINC001704280529 1179958480 /nfs/dbraw/zinc/95/84/80/1179958480.db2.gz USHWMNDWWHTPOZ-GDBMZVCRSA-N 1 1 313.405 0.973 50 0 DCAAMO CC(C)[N@H+]1C[C@H](NC(=O)CN(C)C(N)=O)[C@@H](c2ccccc2)C1 ZINC000219582401 766272374 /nfs/dbraw/zinc/27/23/74/766272374.db2.gz GAUZVTMCQYFXNC-CABCVRRESA-N 1 1 318.421 0.990 50 0 DCAAMO COCCOCC[N@@H+](C)CCC(=O)NCCc1ccccn1 ZINC000585121398 766286444 /nfs/dbraw/zinc/28/64/44/766286444.db2.gz OFQOYBQLDOYRRH-UHFFFAOYSA-N 1 1 309.410 0.725 50 0 DCAAMO C[C@H](O)C[N@@H+](C)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC000952879669 768944149 /nfs/dbraw/zinc/94/41/49/768944149.db2.gz GIOSDEPMVJSQHS-AEGPPILISA-N 1 1 308.378 0.681 50 0 DCAAMO CC(=O)N1CCC([N@@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)CC1 ZINC001529168645 1014511693 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O=C(N[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1C1CC1)c1cnn[nH]1 ZINC000091746439 193100906 /nfs/dbraw/zinc/10/09/06/193100906.db2.gz XQIRYOCHQXBHLL-OCCSQVGLSA-N 1 1 305.382 0.424 50 0 DCAAMO O=C(N[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1C1CC1)c1cnn[nH]1 ZINC000091746439 193100907 /nfs/dbraw/zinc/10/09/07/193100907.db2.gz XQIRYOCHQXBHLL-OCCSQVGLSA-N 1 1 305.382 0.424 50 0 DCAAMO CSCC(=O)N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091830879 193114312 /nfs/dbraw/zinc/11/43/12/193114312.db2.gz JMZSBFOZBWITRJ-XJFOESAGSA-N 1 1 316.467 0.526 50 0 DCAAMO O=C(CC[NH+]1CCN(CCO)CC1)Nc1ccc(F)c(F)c1 ZINC000019293106 182113275 /nfs/dbraw/zinc/11/32/75/182113275.db2.gz XICMQOBCAKGYQD-UHFFFAOYSA-N 1 1 313.348 0.903 50 0 DCAAMO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000019831218 182154271 /nfs/dbraw/zinc/15/42/71/182154271.db2.gz GYUVPHRWLLGPLU-CQSZACIVSA-N 1 1 319.405 0.702 50 0 DCAAMO CCC(CC)[C@H](CNC(=O)c1nccnc1N)[NH+]1CCOCC1 ZINC000022899238 182340048 /nfs/dbraw/zinc/34/00/48/182340048.db2.gz 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Cc1ccnc(NCCNC(=O)CN2CCC[N@H+](C)CC2)c1 ZINC000065428906 184343662 /nfs/dbraw/zinc/34/36/62/184343662.db2.gz VAYAPOLANUFSSJ-UHFFFAOYSA-N 1 1 305.426 0.556 50 0 DCAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cn[nH]c1 ZINC000065433695 184344121 /nfs/dbraw/zinc/34/41/21/184344121.db2.gz NHKNIDGUKJZDOB-YPMHNXCESA-N 1 1 309.370 0.269 50 0 DCAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000065397856 184335770 /nfs/dbraw/zinc/33/57/70/184335770.db2.gz VYAGCLPOZKRMHA-CQSZACIVSA-N 1 1 304.394 0.802 50 0 DCAAMO COC(=O)CN[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000121113227 257239470 /nfs/dbraw/zinc/23/94/70/257239470.db2.gz SRQBIPAUZVGXSN-QGZVFWFLSA-N 1 1 320.389 0.957 50 0 DCAAMO COC(=O)CN[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000121113227 257239472 /nfs/dbraw/zinc/23/94/72/257239472.db2.gz SRQBIPAUZVGXSN-QGZVFWFLSA-N 1 1 320.389 0.957 50 0 DCAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C2(C)COC2)[C@H](O)C1 ZINC000426596487 257246285 /nfs/dbraw/zinc/24/62/85/257246285.db2.gz 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396084580 /nfs/dbraw/zinc/08/45/80/396084580.db2.gz RCMYUNILARZJTB-GFCCVEGCSA-N 1 1 308.407 0.888 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCCC[C@H]1Cn1cncn1 ZINC000075131982 396176579 /nfs/dbraw/zinc/17/65/79/396176579.db2.gz GVUWSEUCYKUQQA-ZDUSSCGKSA-N 1 1 315.443 0.414 50 0 DCAAMO Cc1ncc2c(n1)C[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000075605442 396182443 /nfs/dbraw/zinc/18/24/43/396182443.db2.gz AJZVUEOBQRNEEN-CABCVRRESA-N 1 1 307.394 0.700 50 0 DCAAMO Cc1ncc2c(n1)C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000075605442 396182444 /nfs/dbraw/zinc/18/24/44/396182444.db2.gz AJZVUEOBQRNEEN-CABCVRRESA-N 1 1 307.394 0.700 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)CC1 ZINC000076056662 396194735 /nfs/dbraw/zinc/19/47/35/396194735.db2.gz QWLHFSVJICFTCZ-ZBFHGGJFSA-N 1 1 322.453 0.093 50 0 DCAAMO Cn1cnc2cc(C(=O)N3CC[N@H+](C)[C@@H](CCO)C3)ccc21 ZINC000584890209 396633422 /nfs/dbraw/zinc/63/34/22/396633422.db2.gz SBVLQQAMBIYOAV-ZDUSSCGKSA-N 1 1 302.378 0.712 50 0 DCAAMO Cn1cnc2cc(C(=O)N3CC[N@@H+](C)[C@@H](CCO)C3)ccc21 ZINC000584890209 396633425 /nfs/dbraw/zinc/63/34/25/396633425.db2.gz SBVLQQAMBIYOAV-ZDUSSCGKSA-N 1 1 302.378 0.712 50 0 DCAAMO C[N@@H+]1CCN(C(=O)CCC(=O)NC2CCCC2)C[C@H]1CCO ZINC000584888691 396633503 /nfs/dbraw/zinc/63/35/03/396633503.db2.gz VQBBMXPODAERSN-CQSZACIVSA-N 1 1 311.426 0.350 50 0 DCAAMO C[N@H+]1CCN(C(=O)CCC(=O)NC2CCCC2)C[C@H]1CCO ZINC000584888691 396633506 /nfs/dbraw/zinc/63/35/06/396633506.db2.gz VQBBMXPODAERSN-CQSZACIVSA-N 1 1 311.426 0.350 50 0 DCAAMO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408093316 397346230 /nfs/dbraw/zinc/34/62/30/397346230.db2.gz OBYSCACUJXYZJM-MHEUCROKSA-N 1 1 311.426 0.469 50 0 DCAAMO C[NH+](C)C1(CNC(=O)c2ccc3[nH]nnc3c2)CCOCC1 ZINC000073131069 158053868 /nfs/dbraw/zinc/05/38/68/158053868.db2.gz VZYRVUDUYQWHHB-UHFFFAOYSA-N 1 1 303.366 0.799 50 0 DCAAMO Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000025070263 415158816 /nfs/dbraw/zinc/15/88/16/415158816.db2.gz RDWXBOXVQALVDI-TZMCWYRMSA-N 1 1 315.373 0.824 50 0 DCAAMO Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000025070263 415158828 /nfs/dbraw/zinc/15/88/28/415158828.db2.gz RDWXBOXVQALVDI-TZMCWYRMSA-N 1 1 315.373 0.824 50 0 DCAAMO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000032652127 415184285 /nfs/dbraw/zinc/18/42/85/415184285.db2.gz XOQYSMOFFFWRRK-WCQYABFASA-N 1 1 324.425 0.588 50 0 DCAAMO NC(=O)C[NH+]1CCC(NC(=O)CCc2ccccc2F)CC1 ZINC000045891149 415255424 /nfs/dbraw/zinc/25/54/24/415255424.db2.gz VGASULFKNUDPSM-UHFFFAOYSA-N 1 1 307.369 0.824 50 0 DCAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CCC(=O)NC2)ccn1 ZINC000048238918 415288484 /nfs/dbraw/zinc/28/84/84/415288484.db2.gz LOMQXXXDFDUFQU-ZDUSSCGKSA-N 1 1 313.361 0.718 50 0 DCAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCCc1ccc2c(c1)OCCO2 ZINC000048301553 415289718 /nfs/dbraw/zinc/28/97/18/415289718.db2.gz YZUFPCNPGIEWLJ-AWEZNQCLSA-N 1 1 320.389 0.573 50 0 DCAAMO 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308.382 0.182 50 0 DCAAMO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO ZINC000257187207 396035295 /nfs/dbraw/zinc/03/52/95/396035295.db2.gz ABLAALXMEHYLCL-GXTWGEPZSA-N 1 1 315.377 0.038 50 0 DCAAMO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO ZINC000257187207 396035299 /nfs/dbraw/zinc/03/52/99/396035299.db2.gz ABLAALXMEHYLCL-GXTWGEPZSA-N 1 1 315.377 0.038 50 0 DCAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CN1CSCC1=O ZINC000249681099 396011500 /nfs/dbraw/zinc/01/15/00/396011500.db2.gz BHIDCZJPTIGXIO-QWHCGFSZSA-N 1 1 311.451 0.995 50 0 DCAAMO C[C@@H]1CC[N@@H+](CCCNS(C)(=O)=O)C[C@H]1n1ccnc1 ZINC000252486315 396021031 /nfs/dbraw/zinc/02/10/31/396021031.db2.gz IHGDPHGCUMHUCB-CHWSQXEVSA-N 1 1 300.428 0.705 50 0 DCAAMO O=C(CN1CC[NH+](C[C@H](O)c2ccccc2)CC1)NCC1CC1 ZINC000069701893 396087392 /nfs/dbraw/zinc/08/73/92/396087392.db2.gz QEQKERFJNVUYFP-KRWDZBQOSA-N 1 1 317.433 0.864 50 0 DCAAMO CCOCC[N@@H+]1CCN(CC(=O)NCc2ccccn2)C[C@@H]1C ZINC000069818895 396091222 /nfs/dbraw/zinc/09/12/22/396091222.db2.gz SBPIAFAETVKGNM-HNNXBMFYSA-N 1 1 320.437 0.740 50 0 DCAAMO CCOCC[N@H+]1CCN(CC(=O)NCc2ccccn2)C[C@@H]1C ZINC000069818895 396091225 /nfs/dbraw/zinc/09/12/25/396091225.db2.gz SBPIAFAETVKGNM-HNNXBMFYSA-N 1 1 320.437 0.740 50 0 DCAAMO CC[C@H]1CN(CC(=O)NCc2ccccn2)CC[N@H+]1CCOC ZINC000069842252 396092078 /nfs/dbraw/zinc/09/20/78/396092078.db2.gz UGEJHJYQTDEJGM-INIZCTEOSA-N 1 1 320.437 0.740 50 0 DCAAMO CCc1ncc2c(n1)C[N@@H+](C[C@@H](O)CN1CCOCC1)CC2 ZINC000069878150 396093850 /nfs/dbraw/zinc/09/38/50/396093850.db2.gz JYRYWEQYSJCFTB-AWEZNQCLSA-N 1 1 306.410 0.090 50 0 DCAAMO CCc1ncc2c(n1)C[N@H+](C[C@@H](O)CN1CCOCC1)CC2 ZINC000069878150 396093853 /nfs/dbraw/zinc/09/38/53/396093853.db2.gz JYRYWEQYSJCFTB-AWEZNQCLSA-N 1 1 306.410 0.090 50 0 DCAAMO Cc1ccc(N2CCC[C@@H]([N@H+](C)CCS(C)(=O)=O)C2)nn1 ZINC000069920737 396094830 /nfs/dbraw/zinc/09/48/30/396094830.db2.gz QGPONWXCRWOHRF-CYBMUJFWSA-N 1 1 312.439 0.730 50 0 DCAAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)CCS(C)(=O)=O)C2)nn1 ZINC000069920737 396094831 /nfs/dbraw/zinc/09/48/31/396094831.db2.gz QGPONWXCRWOHRF-CYBMUJFWSA-N 1 1 312.439 0.730 50 0 DCAAMO C[C@@H](C(=O)N1CCc2sccc2C1)N1CC[NH+](CCO)CC1 ZINC000069924070 396095279 /nfs/dbraw/zinc/09/52/79/396095279.db2.gz QYGQTEWVJOANBU-ZDUSSCGKSA-N 1 1 323.462 0.631 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc3c2OCO3)CC1 ZINC000069951668 396096415 /nfs/dbraw/zinc/09/64/15/396096415.db2.gz HBIOGBJNBHJUSG-LBPRGKRZSA-N 1 1 306.362 0.944 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)CCNc2ncccn2)CC1 ZINC000069969654 396096634 /nfs/dbraw/zinc/09/66/34/396096634.db2.gz YWHJKDNRFXKETC-ZDUSSCGKSA-N 1 1 307.398 0.194 50 0 DCAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC000070040912 396099291 /nfs/dbraw/zinc/09/92/91/396099291.db2.gz CVIDWHBLVFSUCY-INIZCTEOSA-N 1 1 321.421 0.474 50 0 DCAAMO Cn1cc([C@@H]2CCC[N@H+]2CCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000071797216 396115530 /nfs/dbraw/zinc/11/55/30/396115530.db2.gz 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396120610 /nfs/dbraw/zinc/12/06/10/396120610.db2.gz MPMSACIHWGFBGK-JTQLQIEISA-N 1 1 302.386 0.828 50 0 DCAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N(C)Cc2ccco2)C[C@H]1C ZINC000071877533 396121190 /nfs/dbraw/zinc/12/11/90/396121190.db2.gz FUTGUFYFYRNJHP-ZIAGYGMSSA-N 1 1 309.410 0.625 50 0 DCAAMO CN(C)c1ccc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)nn1 ZINC000071882232 396122978 /nfs/dbraw/zinc/12/29/78/396122978.db2.gz NNMKROIJTIJFNL-UHFFFAOYSA-N 1 1 307.398 0.071 50 0 DCAAMO CC(C)(C)OC(=O)CC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000071885896 396123342 /nfs/dbraw/zinc/12/33/42/396123342.db2.gz MOPJZARDORURJV-NSHDSACASA-N 1 1 321.443 0.223 50 0 DCAAMO CN(C)c1ncccc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269157 396128151 /nfs/dbraw/zinc/12/81/51/396128151.db2.gz WLWSVVMSARVGGI-GJZGRUSLSA-N 1 1 318.421 0.819 50 0 DCAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cncn2)C[C@@H](C)O1 ZINC000069490231 396080373 /nfs/dbraw/zinc/08/03/73/396080373.db2.gz XIIDOIAPWHAMKG-FPCVCCKLSA-N 1 1 323.441 0.213 50 0 DCAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cncn2)C[C@H](C)O1 ZINC000069490228 396080480 /nfs/dbraw/zinc/08/04/80/396080480.db2.gz XIIDOIAPWHAMKG-QXSJWSMHSA-N 1 1 323.441 0.213 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2C[C@H](O)Cn2cccn2)n1 ZINC000069521342 396081866 /nfs/dbraw/zinc/08/18/66/396081866.db2.gz GVDBLGYOFHHGLO-GJZGRUSLSA-N 1 1 304.398 0.617 50 0 DCAAMO Cc1cc(C)n(CC[N@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)n1 ZINC000076059126 396195012 /nfs/dbraw/zinc/19/50/12/396195012.db2.gz CAJANTPIEWSKSO-XJKSGUPXSA-N 1 1 319.409 0.810 50 0 DCAAMO CCn1ccnc1CN1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000076055322 396195099 /nfs/dbraw/zinc/19/50/99/396195099.db2.gz XGUPLTHIODVOLO-GDBMZVCRSA-N 1 1 319.453 0.887 50 0 DCAAMO CCn1ccnc1C[N@@H+]1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000076055322 396195100 /nfs/dbraw/zinc/19/51/00/396195100.db2.gz XGUPLTHIODVOLO-GDBMZVCRSA-N 1 1 319.453 0.887 50 0 DCAAMO CCn1ccnc1C[N@H+]1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000076055322 396195103 /nfs/dbraw/zinc/19/51/03/396195103.db2.gz XGUPLTHIODVOLO-GDBMZVCRSA-N 1 1 319.453 0.887 50 0 DCAAMO CCn1nc(C)c(S(=O)(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2C)c1C ZINC000076058221 396195181 /nfs/dbraw/zinc/19/51/81/396195181.db2.gz ZJCVWROAHABVOS-JOYOIKCWSA-N 1 1 300.428 0.748 50 0 DCAAMO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3C[N@H+](C)C[C@@H]3C)cc12 ZINC000076058296 396195227 /nfs/dbraw/zinc/19/52/27/396195227.db2.gz HFKPYLKSIKNOMF-ZANVPECISA-N 1 1 323.422 0.505 50 0 DCAAMO CC(C)N1CCC[C@H]([N@H+]2CCCN(CC(=O)N(C)C)CC2)C1=O ZINC000079014039 396260064 /nfs/dbraw/zinc/26/00/64/396260064.db2.gz COKIHKVDFGTLAO-HNNXBMFYSA-N 1 1 324.469 0.482 50 0 DCAAMO CC(C)N1CCC[C@@H]([N@H+]2CCCN(CC(=O)N(C)C)CC2)C1=O ZINC000079014044 396260195 /nfs/dbraw/zinc/26/01/95/396260195.db2.gz COKIHKVDFGTLAO-OAHLLOKOSA-N 1 1 324.469 0.482 50 0 DCAAMO COc1coc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1=O ZINC000282277871 396277061 /nfs/dbraw/zinc/27/70/61/396277061.db2.gz JYAWLXNPXVGCRW-LBPRGKRZSA-N 1 1 324.377 0.879 50 0 DCAAMO O=C(c1ccccn1)N1CCC([N@H+]2CCOC[C@H](O)C2)CC1 ZINC000077340680 396219274 /nfs/dbraw/zinc/21/92/74/396219274.db2.gz QGTPLZFBCCSTTE-CQSZACIVSA-N 1 1 305.378 0.379 50 0 DCAAMO O[C@]1(C[NH2+]CCc2noc(-c3ccccc3)n2)CNCCOC1 ZINC000077485852 396224040 /nfs/dbraw/zinc/22/40/40/396224040.db2.gz IVTYYEUAPRFNAA-MRXNPFEDSA-N 1 1 318.377 0.220 50 0 DCAAMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCc1ccnn1C ZINC000186658548 396354602 /nfs/dbraw/zinc/35/46/02/396354602.db2.gz VGHKIHZOWRYJJI-CYBMUJFWSA-N 1 1 323.441 0.449 50 0 DCAAMO COCC[N@H+]1CCC[C@H](Cn2cnc3nccnc3c2=O)C1 ZINC000584902254 396637218 /nfs/dbraw/zinc/63/72/18/396637218.db2.gz UWEHUXVILGBGLL-LBPRGKRZSA-N 1 1 303.366 0.545 50 0 DCAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C)CC1 ZINC000299754175 396714461 /nfs/dbraw/zinc/71/44/61/396714461.db2.gz KIIALSPDIRDJSJ-USXIJHARSA-N 1 1 309.454 0.897 50 0 DCAAMO O=S1(=O)CCCN1CC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000407951744 397333211 /nfs/dbraw/zinc/33/32/11/397333211.db2.gz SYDTXNHNGYEBAZ-JTQLQIEISA-N 1 1 316.345 0.411 50 0 DCAAMO O=S1(=O)CCCN1CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000407951744 397333214 /nfs/dbraw/zinc/33/32/14/397333214.db2.gz SYDTXNHNGYEBAZ-JTQLQIEISA-N 1 1 316.345 0.411 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccccc2OC)CC1 ZINC000025229170 415161759 /nfs/dbraw/zinc/16/17/59/415161759.db2.gz DIBUIUOXVHKKON-UHFFFAOYSA-N 1 1 319.405 0.564 50 0 DCAAMO O=C(CCn1cccn1)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000046050191 415256363 /nfs/dbraw/zinc/25/63/63/415256363.db2.gz YOMVFOJEAGJXQS-HUUCEWRRSA-N 1 1 322.409 0.127 50 0 DCAAMO CC[C@@](C)(CNC(=O)NCCc1cnn(C)c1)[NH+]1CCOCC1 ZINC000046940326 415261785 /nfs/dbraw/zinc/26/17/85/415261785.db2.gz QLEFGICWZIQDLB-INIZCTEOSA-N 1 1 323.441 0.763 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2=NN(C)C(=O)CC2)C1 ZINC000044893834 415227813 /nfs/dbraw/zinc/22/78/13/415227813.db2.gz CHIQDFRSEANCEG-GFCCVEGCSA-N 1 1 310.398 0.068 50 0 DCAAMO CC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000048251813 415288678 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/nfs/dbraw/zinc/77/07/17/758770717.db2.gz BECDIOHVBDKFMW-ZDUSSCGKSA-N 1 1 311.426 0.518 50 0 DCAAMO COCC[N@H+]1CCC[C@@H](c2nc(CC(N)=O)nn2C(C)(C)C)C1 ZINC000824413123 758773124 /nfs/dbraw/zinc/77/31/24/758773124.db2.gz DLINTVFFSCNHQG-GFCCVEGCSA-N 1 1 323.441 0.887 50 0 DCAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)N2CCC(C)CC2)C1 ZINC000824412342 758773241 /nfs/dbraw/zinc/77/32/41/758773241.db2.gz GSMSMIFGNPQYOJ-AWEZNQCLSA-N 1 1 319.471 0.521 50 0 DCAAMO O=c1c2ncccc2ncn1CCC[N@@H+]1CCC[C@H](CO)C1 ZINC000828711299 759074522 /nfs/dbraw/zinc/07/45/22/759074522.db2.gz YYURXXKPSXHXCJ-ZDUSSCGKSA-N 1 1 302.378 0.886 50 0 DCAAMO Cn1ncc2c1nc(NCC[N@H+]1CCCC[C@H]1CO)nc2N ZINC001529117871 1014498644 /nfs/dbraw/zinc/49/86/44/1014498644.db2.gz BWYCVPSKKMMYQK-JTQLQIEISA-N 1 1 305.386 0.204 50 0 DCAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)Nc1ccccc1F ZINC000078871521 185121351 /nfs/dbraw/zinc/12/13/51/185121351.db2.gz CJZSYTSABKEZQT-CYBMUJFWSA-N 1 1 324.400 0.898 50 0 DCAAMO 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COc1ccc(NC(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)cc1 ZINC000065386531 184333404 /nfs/dbraw/zinc/33/34/04/184333404.db2.gz LCKKTXGOGLBPNU-UHFFFAOYSA-N 1 1 318.377 0.934 50 0 DCAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC000065382810 184332898 /nfs/dbraw/zinc/33/28/98/184332898.db2.gz GLKUBGQINBIRLP-ZDUSSCGKSA-N 1 1 319.409 0.996 50 0 DCAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC000065382810 184332900 /nfs/dbraw/zinc/33/29/00/184332900.db2.gz GLKUBGQINBIRLP-ZDUSSCGKSA-N 1 1 319.409 0.996 50 0 DCAAMO COCC[N@H+]1CC[C@H](C(=O)N2CC(n3nc(C)cc3C)C2)C1 ZINC000065407360 184339577 /nfs/dbraw/zinc/33/95/77/184339577.db2.gz RBBPPCWSUUXDNW-AWEZNQCLSA-N 1 1 306.410 0.852 50 0 DCAAMO Cc1cc2oc(=O)cc(C[NH2+][C@H](C(N)=O)[C@@H](C)O)c2cc1C ZINC000065425911 184342906 /nfs/dbraw/zinc/34/29/06/184342906.db2.gz TYOPRVPXBCQVGQ-BMIGLBTASA-N 1 1 304.346 0.734 50 0 DCAAMO CC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000065439564 184345734 /nfs/dbraw/zinc/34/57/34/184345734.db2.gz 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C[C@@H]1C[N@H+](C[C@@H](O)CN2CCc3c(ncn3C)C2)C[C@H](C)O1 ZINC000106666421 395783270 /nfs/dbraw/zinc/78/32/70/395783270.db2.gz HKACZSQHNXZJHZ-MJBXVCDLSA-N 1 1 308.426 0.248 50 0 DCAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@@H](O)Cn3cccn3)C2)n1 ZINC000106786929 395783437 /nfs/dbraw/zinc/78/34/37/395783437.db2.gz YEYPURWZKGMPBR-JKSUJKDBSA-N 1 1 318.425 0.865 50 0 DCAAMO Cn1nccc1C(=O)N1CC[N@H+](C2CCCCC2)C[C@@H](O)C1 ZINC000097515202 395758563 /nfs/dbraw/zinc/75/85/63/395758563.db2.gz JZQDMXHRJYYOOY-CQSZACIVSA-N 1 1 306.410 0.872 50 0 DCAAMO O=C(N1CC[N@H+](CCCO)C[C@H](O)C1)C1(c2ccccc2)CC1 ZINC000097527853 395758885 /nfs/dbraw/zinc/75/88/85/395758885.db2.gz XTBPQHYPUKHBQZ-INIZCTEOSA-N 1 1 318.417 0.606 50 0 DCAAMO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CCn1cccn1 ZINC000111282410 395806045 /nfs/dbraw/zinc/80/60/45/395806045.db2.gz RFUIQVWITAQLQF-UHFFFAOYSA-N 1 1 315.377 0.943 50 0 DCAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccco1 ZINC000048289063 395812409 /nfs/dbraw/zinc/81/24/09/395812409.db2.gz QDSXEIZVLRBDIT-NEPJUHHUSA-N 1 1 308.382 0.789 50 0 DCAAMO CC(C)[C@@H](NC(=O)CC[NH+]1CCN(C)CC1)c1ncnn1C ZINC000222819015 395853329 /nfs/dbraw/zinc/85/33/29/395853329.db2.gz OZDPYOVKTAPOJP-CQSZACIVSA-N 1 1 308.430 0.266 50 0 DCAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000108929086 395795200 /nfs/dbraw/zinc/79/52/00/395795200.db2.gz IDOMCNAYGAWNAG-OUAUKWLOSA-N 1 1 322.409 0.215 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000229555579 395875943 /nfs/dbraw/zinc/87/59/43/395875943.db2.gz PSMHAFQQSNVFJT-BZUAXINKSA-N 1 1 306.410 0.719 50 0 DCAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000230567067 395881840 /nfs/dbraw/zinc/88/18/40/395881840.db2.gz ZWXWFZVGFJRNNX-LBPRGKRZSA-N 1 1 320.368 0.817 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000230567067 395881843 /nfs/dbraw/zinc/88/18/43/395881843.db2.gz ZWXWFZVGFJRNNX-LBPRGKRZSA-N 1 1 320.368 0.817 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121505134 395884872 /nfs/dbraw/zinc/88/48/72/395884872.db2.gz LPTDPESQQXIHTN-UHFFFAOYSA-N 1 1 317.455 0.212 50 0 DCAAMO Cc1ccccc1OCC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000056672368 395932551 /nfs/dbraw/zinc/93/25/51/395932551.db2.gz RHMRWRSUQAGVQY-UHFFFAOYSA-N 1 1 317.389 0.903 50 0 DCAAMO Cc1cc(=O)n(CCN2CC([N@@H+]3CCCC[C@H]3C)C2)c(=O)[nH]1 ZINC000253536568 396030594 /nfs/dbraw/zinc/03/05/94/396030594.db2.gz IEAQOYBVMGMILI-CYBMUJFWSA-N 1 1 306.410 0.816 50 0 DCAAMO CCCc1cc(C(=O)N2CCC3(CC2)[NH2+]CCNC3=O)no1 ZINC000067772366 396033168 /nfs/dbraw/zinc/03/31/68/396033168.db2.gz ZKSUYAAAGGQLAC-UHFFFAOYSA-N 1 1 306.366 0.321 50 0 DCAAMO O=C(NC[C@H]1CC[N@H+](C2CCOCC2)C1)c1c[nH]c(=O)cn1 ZINC000067908576 396039084 /nfs/dbraw/zinc/03/90/84/396039084.db2.gz KECIMPAYUFOUSU-LLVKDONJSA-N 1 1 306.366 0.001 50 0 DCAAMO CN1CC[N@@H+]2C[C@@H](NC(=O)C(=O)CCc3ccccc3)C[C@H]2C1 ZINC000067982885 396041658 /nfs/dbraw/zinc/04/16/58/396041658.db2.gz UKKZAWQERGGOLX-HOTGVXAUSA-N 1 1 315.417 0.693 50 0 DCAAMO CN1CC[N@H+]2C[C@@H](NC(=O)C(=O)CCc3ccccc3)C[C@H]2C1 ZINC000067982885 396041660 /nfs/dbraw/zinc/04/16/60/396041660.db2.gz UKKZAWQERGGOLX-HOTGVXAUSA-N 1 1 315.417 0.693 50 0 DCAAMO C[N@@H+]1CCN2C[C@@H](NC(=O)C(=O)CCc3ccccc3)C[C@H]2C1 ZINC000067982885 396041665 /nfs/dbraw/zinc/04/16/65/396041665.db2.gz UKKZAWQERGGOLX-HOTGVXAUSA-N 1 1 315.417 0.693 50 0 DCAAMO C[N@H+]1CCN2C[C@@H](NC(=O)C(=O)CCc3ccccc3)C[C@H]2C1 ZINC000067982885 396041668 /nfs/dbraw/zinc/04/16/68/396041668.db2.gz UKKZAWQERGGOLX-HOTGVXAUSA-N 1 1 315.417 0.693 50 0 DCAAMO CC[N@@H+](CCCS(N)(=O)=O)Cc1ccc2c(c1)OCO2 ZINC000068457230 396056420 /nfs/dbraw/zinc/05/64/20/396056420.db2.gz OJSWDKDXNLJWNK-UHFFFAOYSA-N 1 1 300.380 0.916 50 0 DCAAMO C[C@H](OC[C@@H]1CCCCO1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000069738554 396088414 /nfs/dbraw/zinc/08/84/14/396088414.db2.gz YKRYWBWQKKPVHX-ZNMIVQPWSA-N 1 1 313.442 0.323 50 0 DCAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000069739939 396088785 /nfs/dbraw/zinc/08/87/85/396088785.db2.gz MPWRHFVKSUETML-OAHLLOKOSA-N 1 1 324.396 0.910 50 0 DCAAMO O=C1OCC[C@@H]1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000069771879 396089427 /nfs/dbraw/zinc/08/94/27/396089427.db2.gz DEBLDWGTTVAVKL-ZBFHGGJFSA-N 1 1 320.389 0.359 50 0 DCAAMO CCn1cc(CN2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000069740997 396089820 /nfs/dbraw/zinc/08/98/20/396089820.db2.gz LFDZPQPJGIRPAH-INIZCTEOSA-N 1 1 319.453 0.889 50 0 DCAAMO COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)O)CC1 ZINC000069847682 396091966 /nfs/dbraw/zinc/09/19/66/396091966.db2.gz RIDCKLYMDDJZSB-OCCSQVGLSA-N 1 1 312.410 0.633 50 0 DCAAMO CCc1cc(N2CC[NH2+][C@@H](C(=O)[O-])C2)nc(N2CCCCC2)[nH+]1 ZINC000071415602 396113520 /nfs/dbraw/zinc/11/35/20/396113520.db2.gz MZDZGKZKOGVBEF-CYBMUJFWSA-N 1 1 319.409 0.892 50 0 DCAAMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)CCO1 ZINC000071821652 396116134 /nfs/dbraw/zinc/11/61/34/396116134.db2.gz OMJBLVXMKKPQTC-GFCCVEGCSA-N 1 1 320.393 0.106 50 0 DCAAMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2ncc3ccccc3c2=O)C[C@H](C)O1 ZINC000071825070 396117251 /nfs/dbraw/zinc/11/72/51/396117251.db2.gz MBNRMGZISLNHAU-GUTXKFCHSA-N 1 1 317.389 0.867 50 0 DCAAMO C[C@@H]1C[N@H+](C[C@H](O)Cn2ncc3ccccc3c2=O)C[C@H](C)O1 ZINC000071825070 396117253 /nfs/dbraw/zinc/11/72/53/396117253.db2.gz MBNRMGZISLNHAU-GUTXKFCHSA-N 1 1 317.389 0.867 50 0 DCAAMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)CC(N)=O ZINC000071822575 396117275 /nfs/dbraw/zinc/11/72/75/396117275.db2.gz VYNQDDWHCUUPPU-UKRRQHHQSA-N 1 1 318.421 0.183 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1 ZINC000071871374 396120388 /nfs/dbraw/zinc/12/03/88/396120388.db2.gz UEDIRJWTEAIEQN-LLVKDONJSA-N 1 1 318.377 0.005 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000071871095 396120623 /nfs/dbraw/zinc/12/06/23/396120623.db2.gz PSBZORRLAVSIBA-GFCCVEGCSA-N 1 1 315.373 0.667 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC000071880504 396122412 /nfs/dbraw/zinc/12/24/12/396122412.db2.gz NKYWBHUHENTBKI-LSDHHAIUSA-N 1 1 309.410 0.321 50 0 DCAAMO O=C(CNC(=O)OCC(F)(F)F)N1CC[NH+](C2CC2)CC1 ZINC000071896097 396123466 /nfs/dbraw/zinc/12/34/66/396123466.db2.gz DEYZQRYYWALZOL-UHFFFAOYSA-N 1 1 309.288 0.582 50 0 DCAAMO COc1c(C)c[nH+]c(CN2CCN(S(N)(=O)=O)CC2)c1C ZINC000071893601 396123864 /nfs/dbraw/zinc/12/38/64/396123864.db2.gz CCBAGUOGNNWQJM-UHFFFAOYSA-N 1 1 314.411 0.028 50 0 DCAAMO NC(=O)COc1cccc(C[N@H+]2CCC[C@H]2Cn2cncn2)c1 ZINC000069620759 396084532 /nfs/dbraw/zinc/08/45/32/396084532.db2.gz PKGOORCPNZAVGQ-AWEZNQCLSA-N 1 1 315.377 0.807 50 0 DCAAMO COC(=O)[C@@H]1C[C@@H](O)[C@@H]([NH+]2CCN(c3ccccn3)CC2)C1 ZINC000075104340 396176027 /nfs/dbraw/zinc/17/60/27/396176027.db2.gz NUWLGYXSMBDISC-MELADBBJSA-N 1 1 305.378 0.516 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000075131979 396176924 /nfs/dbraw/zinc/17/69/24/396176924.db2.gz GVUWSEUCYKUQQA-CYBMUJFWSA-N 1 1 315.443 0.414 50 0 DCAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CCc3cnn(C)c3)C2)no1 ZINC000076047360 396192872 /nfs/dbraw/zinc/19/28/72/396192872.db2.gz ICYNGSKLLXMIPE-CQSZACIVSA-N 1 1 304.398 0.860 50 0 DCAAMO CC[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000076058366 396195092 /nfs/dbraw/zinc/19/50/92/396195092.db2.gz QHLODQSUAKNYLR-ZWNOBZJWSA-N 1 1 311.407 0.404 50 0 DCAAMO CN(C)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000078788805 396254596 /nfs/dbraw/zinc/25/45/96/396254596.db2.gz RYRFODAAEWEMCI-HUUCEWRRSA-N 1 1 318.421 0.819 50 0 DCAAMO O=C(CN1CCC[N@@H+](CCN2CCCC2=O)CC1)N1CCCC1 ZINC000079954211 396273269 /nfs/dbraw/zinc/27/32/69/396273269.db2.gz MFURDVCFAJKAEI-UHFFFAOYSA-N 1 1 322.453 0.239 50 0 DCAAMO O=C(C[N@@H+]1CCCN(CCN2CCCC2=O)CC1)N1CCCC1 ZINC000079954211 396273270 /nfs/dbraw/zinc/27/32/70/396273270.db2.gz MFURDVCFAJKAEI-UHFFFAOYSA-N 1 1 322.453 0.239 50 0 DCAAMO O=C(C[N@H+]1CCCN(CCN2CCCC2=O)CC1)N1CCCC1 ZINC000079954211 396273272 /nfs/dbraw/zinc/27/32/72/396273272.db2.gz MFURDVCFAJKAEI-UHFFFAOYSA-N 1 1 322.453 0.239 50 0 DCAAMO C[C@@H](C(=O)NCCC1N=NC(=O)N1C)[N@@H+](C)C1CCCCC1 ZINC000584896758 396635707 /nfs/dbraw/zinc/63/57/07/396635707.db2.gz RNUCWQHDOHZQBP-NSHDSACASA-N 1 1 309.414 0.832 50 0 DCAAMO O=C(CN1CCCCCC1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000584902766 396637282 /nfs/dbraw/zinc/63/72/82/396637282.db2.gz XXYSVEIJUBXHLX-HOTGVXAUSA-N 1 1 309.454 0.920 50 0 DCAAMO O=C(Cc1ccc(O)cc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000585136674 396641558 /nfs/dbraw/zinc/64/15/58/396641558.db2.gz PECRJFSIUOVDGV-CQSZACIVSA-N 1 1 317.389 0.358 50 0 DCAAMO O=C(Cn1ncccc1=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256978 396942466 /nfs/dbraw/zinc/94/24/66/396942466.db2.gz NLMYKOHSBWJGAN-ZDUSSCGKSA-N 1 1 318.402 0.696 50 0 DCAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000370211021 397456656 /nfs/dbraw/zinc/45/66/56/397456656.db2.gz AWJIIONDWCWIPA-NWDGAFQWSA-N 1 1 320.459 0.179 50 0 DCAAMO COCC1(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)CC1 ZINC000091636986 292212062 /nfs/dbraw/zinc/21/20/62/292212062.db2.gz FFSPPXUXIIBFRW-INIZCTEOSA-N 1 1 309.410 0.226 50 0 DCAAMO C[C@@H](C(=O)N1CC[NH+](C)CC1)n1nnc2ccccc2c1=O ZINC000020547617 415153964 /nfs/dbraw/zinc/15/39/64/415153964.db2.gz WUSAQFUOBWZOAZ-NSHDSACASA-N 1 1 301.350 0.127 50 0 DCAAMO CCC[N@@H+](CC(=O)NC(N)=O)C[C@H]1COc2ccccc2O1 ZINC000026663546 415167482 /nfs/dbraw/zinc/16/74/82/415167482.db2.gz CQYXHWDBGYUNEJ-NSHDSACASA-N 1 1 307.350 0.733 50 0 DCAAMO CCC[N@H+](CC(=O)NC(N)=O)C[C@H]1COc2ccccc2O1 ZINC000026663546 415167491 /nfs/dbraw/zinc/16/74/91/415167491.db2.gz CQYXHWDBGYUNEJ-NSHDSACASA-N 1 1 307.350 0.733 50 0 DCAAMO Cc1c(C(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cnn1C ZINC000044911380 415232838 /nfs/dbraw/zinc/23/28/38/415232838.db2.gz BQAPPMPZAQYJIW-DZGCQCFKSA-N 1 1 322.409 0.196 50 0 DCAAMO CCC[N@@H+](CCO)C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000046342896 415259256 /nfs/dbraw/zinc/25/92/56/415259256.db2.gz ZGNBFMCYCZXTPI-CQSZACIVSA-N 1 1 311.378 0.997 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCSC2=O)C1 ZINC000044874988 415229449 /nfs/dbraw/zinc/22/94/49/415229449.db2.gz VTFFKUICVORGDW-LBPRGKRZSA-N 1 1 315.439 0.628 50 0 DCAAMO CC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000048251811 415286824 /nfs/dbraw/zinc/28/68/24/415286824.db2.gz GCUAZXRACWVUCX-CQSZACIVSA-N 1 1 318.425 0.650 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1[nH]nc2ncccc21 ZINC000049550332 415309914 /nfs/dbraw/zinc/30/99/14/415309914.db2.gz YQLUOSBHXBVXBQ-JTQLQIEISA-N 1 1 316.365 0.497 50 0 DCAAMO COCCN1CCC([NH2+]Cc2c(C)nn(C)c2N(C)C)CC1 ZINC000058434392 415341487 /nfs/dbraw/zinc/34/14/87/415341487.db2.gz CTRGRZQQFZJQGW-UHFFFAOYSA-N 1 1 309.458 0.995 50 0 DCAAMO CCC(C)(C)NC(=O)C(=O)N1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067790082 415383889 /nfs/dbraw/zinc/38/38/89/415383889.db2.gz CAMDSWUOQWBUKN-UHFFFAOYSA-N 1 1 324.469 0.530 50 0 DCAAMO CCC(C)(C)NC(=O)C(=O)N1CCC2(CC1)CN(C)CC[N@@H+]2C ZINC000067790082 415383896 /nfs/dbraw/zinc/38/38/96/415383896.db2.gz CAMDSWUOQWBUKN-UHFFFAOYSA-N 1 1 324.469 0.530 50 0 DCAAMO CCC(C)(C)NC(=O)C(=O)N1CCC2(CC1)CN(C)CC[N@H+]2C ZINC000067790082 415383901 /nfs/dbraw/zinc/38/39/01/415383901.db2.gz CAMDSWUOQWBUKN-UHFFFAOYSA-N 1 1 324.469 0.530 50 0 DCAAMO CC[C@H]1CN(CC(=O)NCc2ccccn2)CC[N@H+]1C[C@@H](C)O ZINC000075129474 415438286 /nfs/dbraw/zinc/43/82/86/415438286.db2.gz YJUXBNNVRDQYIJ-ZBFHGGJFSA-N 1 1 320.437 0.475 50 0 DCAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc[nH]c1=O)C2 ZINC000095352772 415549859 /nfs/dbraw/zinc/54/98/59/415549859.db2.gz CDXGQUGZVVRADK-CHWSQXEVSA-N 1 1 305.378 0.558 50 0 DCAAMO COc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1OC ZINC000095982902 415569294 /nfs/dbraw/zinc/56/92/94/415569294.db2.gz QMYPUDUANDNCEI-GFCCVEGCSA-N 1 1 314.407 0.957 50 0 DCAAMO COc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1OC ZINC000095982902 415569301 /nfs/dbraw/zinc/56/93/01/415569301.db2.gz QMYPUDUANDNCEI-GFCCVEGCSA-N 1 1 314.407 0.957 50 0 DCAAMO CCn1ccnc1CN1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000106929563 415657048 /nfs/dbraw/zinc/65/70/48/415657048.db2.gz BHZZLOZWTRJPAA-JKSUJKDBSA-N 1 1 321.469 0.740 50 0 DCAAMO O=C(CCn1cc(Cl)cn1)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000299778283 416067831 /nfs/dbraw/zinc/06/78/31/416067831.db2.gz GYZUOHNGOUSYTF-CYBMUJFWSA-N 1 1 314.817 0.890 50 0 DCAAMO COc1ccc2nc(CCNC(=O)c3cc(N)n[nH]3)[nH]c2c1 ZINC000215445653 416327225 /nfs/dbraw/zinc/32/72/25/416327225.db2.gz XKPLMPPPQHVMGX-UHFFFAOYSA-N 1 1 300.322 0.849 50 0 DCAAMO Cc1n[nH]c(C)c1CCCNC(=O)C[C@@H]1CN(C)CC[N@H+]1C ZINC000240662406 416330024 /nfs/dbraw/zinc/33/00/24/416330024.db2.gz PKSBUQXXIYFVFC-CQSZACIVSA-N 1 1 307.442 0.711 50 0 DCAAMO Cc1n[nH]c(C)c1CCCNC(=O)C[C@@H]1C[N@@H+](C)CCN1C ZINC000240662406 416330025 /nfs/dbraw/zinc/33/00/25/416330025.db2.gz PKSBUQXXIYFVFC-CQSZACIVSA-N 1 1 307.442 0.711 50 0 DCAAMO Cc1n[nH]c(C)c1CCCNC(=O)C[C@@H]1C[N@H+](C)CCN1C ZINC000240662406 416330026 /nfs/dbraw/zinc/33/00/26/416330026.db2.gz PKSBUQXXIYFVFC-CQSZACIVSA-N 1 1 307.442 0.711 50 0 DCAAMO CN(CCC(C)(C)O)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426495588 416771768 /nfs/dbraw/zinc/77/17/68/416771768.db2.gz IZVBNFHGNDZJPN-GFCCVEGCSA-N 1 1 324.425 0.982 50 0 DCAAMO CSCCCNc1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426552409 416775748 /nfs/dbraw/zinc/77/57/48/416775748.db2.gz XNDXWERZVINGDH-LLVKDONJSA-N 1 1 324.450 1.326 50 0 DCAAMO O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CCOC2)CC1)N1CCCC1 ZINC000363000657 262093323 /nfs/dbraw/zinc/09/33/23/262093323.db2.gz ORVIWCPHVMNOLK-AWEZNQCLSA-N 1 1 309.410 0.180 50 0 DCAAMO O=C(C[N@H+]1CCCN(C(=O)[C@H]2CCOC2)CC1)N1CCCC1 ZINC000363000657 262093325 /nfs/dbraw/zinc/09/33/25/262093325.db2.gz ORVIWCPHVMNOLK-AWEZNQCLSA-N 1 1 309.410 0.180 50 0 DCAAMO CCC(CC)[C@@H](CNC(=O)C1=NNC(=O)CC1)[NH+]1CCOCC1 ZINC000065609414 275957786 /nfs/dbraw/zinc/95/77/86/275957786.db2.gz ZWZNSTXWSGBTGL-CQSZACIVSA-N 1 1 324.425 0.506 50 0 DCAAMO CC[N@@H+](C)[C@@H]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000225672076 276309374 /nfs/dbraw/zinc/30/93/74/276309374.db2.gz 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O=C(c1cn2cccnc2n1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000084614948 545703141 /nfs/dbraw/zinc/70/31/41/545703141.db2.gz XJCVYLMUNAIRIB-KBPBESRZSA-N 1 1 315.377 0.401 50 0 DCAAMO O=C(CCN1CCCCC1=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670438029 547091199 /nfs/dbraw/zinc/09/11/99/547091199.db2.gz DMACGBUNSDORTG-CQSZACIVSA-N 1 1 311.426 0.352 50 0 DCAAMO COCCC(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000670445408 547093588 /nfs/dbraw/zinc/09/35/88/547093588.db2.gz WYKLAVLKSKGOJG-UHFFFAOYSA-N 1 1 318.439 0.181 50 0 DCAAMO CNS(=O)(=O)CCNC(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000952981671 665841941 /nfs/dbraw/zinc/84/19/41/665841941.db2.gz OMCFYZDZELRYMP-ZDUSSCGKSA-N 1 1 313.423 0.263 50 0 DCAAMO COc1ccc([C@H]2NC(CO)(CO)[C@H]3C[N@H+](C)C[C@H]32)cc1C ZINC000065372420 685063421 /nfs/dbraw/zinc/06/34/21/685063421.db2.gz KEGLOHKFYUUYCM-IJEWVQPXSA-N 1 1 306.406 0.549 50 0 DCAAMO COc1ccc([C@H]2NC(CO)(CO)[C@H]3C[N@@H+](C)C[C@H]32)cc1C ZINC000065372420 685063434 /nfs/dbraw/zinc/06/34/34/685063434.db2.gz 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ZINC001704305572 1179967946 /nfs/dbraw/zinc/96/79/46/1179967946.db2.gz LKCPWHCFVCCJDV-MRXNPFEDSA-N 1 1 311.393 0.911 50 0 DCAAMO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)c1scc3c1OCCO3)C2 ZINC001704311860 1179968883 /nfs/dbraw/zinc/96/88/83/1179968883.db2.gz URBUXQHFQBXPDR-MNOVXSKESA-N 1 1 324.402 0.922 50 0 DCAAMO C[N@H+]1C[C@H]2COC[C@@H]1CN(C(=O)c1scc3c1OCCO3)C2 ZINC001704311860 1179968890 /nfs/dbraw/zinc/96/88/90/1179968890.db2.gz URBUXQHFQBXPDR-MNOVXSKESA-N 1 1 324.402 0.922 50 0 DCAAMO COc1ccc(O)c(C(=O)N2C[C@H]3COC[C@@H]2C[N@@H+](C)C3)c1 ZINC001704326226 1179973163 /nfs/dbraw/zinc/97/31/63/1179973163.db2.gz YJJKZXSAFVVGMC-RYUDHWBXSA-N 1 1 306.362 0.803 50 0 DCAAMO C[N@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)Cn1nc3ccccc3n1)C2 ZINC001704336936 1179977623 /nfs/dbraw/zinc/97/76/23/1179977623.db2.gz NAFCXHNPOFCQML-STQMWFEESA-N 1 1 315.377 0.220 50 0 DCAAMO COCC[N@H+]1CCC[C@@H](CNS(=O)(=O)N2CCCC2)C1 ZINC000824413181 758773607 /nfs/dbraw/zinc/77/36/07/758773607.db2.gz SPTFWOBSSMFYNH-ZDUSSCGKSA-N 1 1 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/nfs/dbraw/zinc/35/16/88/185351688.db2.gz JDMIHVQFWKYDRM-UHFFFAOYSA-N 1 1 305.426 0.493 50 0 DCAAMO C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095399369 185353839 /nfs/dbraw/zinc/35/38/39/185353839.db2.gz LBRNRTRRAUCHFX-ZDUSSCGKSA-N 1 1 300.366 0.967 50 0 DCAAMO CN(CC[N@@H+](C)C1CC1)C(=O)CCCCCCS(N)(=O)=O ZINC000408518181 529901514 /nfs/dbraw/zinc/90/15/14/529901514.db2.gz WGIVPJVOVXPRDL-UHFFFAOYSA-N 1 1 319.471 0.778 50 0 DCAAMO Nc1n[nH]c(CCNC(=O)C2([NH+]3CCOCC3)CCCCC2)n1 ZINC000534576213 412539145 /nfs/dbraw/zinc/53/91/45/412539145.db2.gz MMGJYIZMWDKGBD-UHFFFAOYSA-N 1 1 322.413 0.081 50 0 DCAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ncc[nH]1 ZINC000072158297 191061572 /nfs/dbraw/zinc/06/15/72/191061572.db2.gz UTCSYZOBWPXFDD-LBPRGKRZSA-N 1 1 307.398 0.215 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 ZINC000072269897 191092941 /nfs/dbraw/zinc/09/29/41/191092941.db2.gz JZIIBWUZDBBJDW-LBPRGKRZSA-N 1 1 307.398 0.071 50 0 DCAAMO Cc1nnc(SCCNC(=O)[C@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000072429577 191162396 /nfs/dbraw/zinc/16/23/96/191162396.db2.gz VNLYRUSVBOPQNK-JTQLQIEISA-N 1 1 324.435 0.665 50 0 DCAAMO Cc1nc(C2CC[NH+](CC(N)=O)CC2)cc(N2CCOCC2)n1 ZINC000072432230 191164824 /nfs/dbraw/zinc/16/48/24/191164824.db2.gz MQTLAGGTVASKAC-UHFFFAOYSA-N 1 1 319.409 0.286 50 0 DCAAMO CN1CCO[C@H](C(=O)Nc2ccc3c(c2)N(C)CC[N@H+](C)C3)C1 ZINC000095464823 283022681 /nfs/dbraw/zinc/02/26/81/283022681.db2.gz HDFLNFHEXNBNDD-INIZCTEOSA-N 1 1 318.421 0.837 50 0 DCAAMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000237633994 202313052 /nfs/dbraw/zinc/31/30/52/202313052.db2.gz TZYOVBGAORBXOP-ZDUSSCGKSA-N 1 1 320.418 0.914 50 0 DCAAMO O=C(NCCOc1ncc(Cl)cc1Cl)[C@H]1COCC[NH2+]1 ZINC000237791579 202355276 /nfs/dbraw/zinc/35/52/76/202355276.db2.gz PZBFFZSRTLOJMJ-SNVBAGLBSA-N 1 1 320.176 0.872 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)n2cccc2c1=O ZINC000006799580 181390497 /nfs/dbraw/zinc/39/04/97/181390497.db2.gz JFRAJKDTJSTEHJ-CYBMUJFWSA-N 1 1 317.393 0.405 50 0 DCAAMO C[C@H](O)CN1CC2(CCC1=O)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000091416486 193052878 /nfs/dbraw/zinc/05/28/78/193052878.db2.gz ZQUXFIRQXGNASG-ZDUSSCGKSA-N 1 1 306.410 0.995 50 0 DCAAMO CC[C@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)c1nc(C)no1 ZINC000091746258 193100380 /nfs/dbraw/zinc/10/03/80/193100380.db2.gz CCXOGTXVVOZQDR-NSHDSACASA-N 1 1 309.370 0.143 50 0 DCAAMO CN1CCC[C@]2(CCN(C(=O)CN3CCC[N@@H+](C)CC3)C2)C1=O ZINC000092038314 193146437 /nfs/dbraw/zinc/14/64/37/193146437.db2.gz QGDRGNWHWDWPAI-QGZVFWFLSA-N 1 1 322.453 0.095 50 0 DCAAMO O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000106094610 284086551 /nfs/dbraw/zinc/08/65/51/284086551.db2.gz LIFJZSOGDWJKGI-IJLUTSLNSA-N 1 1 301.412 0.100 50 0 DCAAMO CCCc1ccc(OC[C@H](O)CN2CC[NH+](CCO)CC2)cc1 ZINC000019771040 182145029 /nfs/dbraw/zinc/14/50/29/182145029.db2.gz XAHZYJGMXUKMTQ-QGZVFWFLSA-N 1 1 322.449 0.989 50 0 DCAAMO CCCc1ccc(OC[C@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000019771040 182145030 /nfs/dbraw/zinc/14/50/30/182145030.db2.gz XAHZYJGMXUKMTQ-QGZVFWFLSA-N 1 1 322.449 0.989 50 0 DCAAMO C[NH+]1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000019924890 182165207 /nfs/dbraw/zinc/16/52/07/182165207.db2.gz KPHBYPTZJIUQPU-UHFFFAOYSA-N 1 1 301.350 0.838 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1COc2ccccc2O1 ZINC000020290082 182202929 /nfs/dbraw/zinc/20/29/29/182202929.db2.gz AFKPUDOAONZLNQ-OAHLLOKOSA-N 1 1 306.362 0.665 50 0 DCAAMO CCn1c(N)c(C(=O)C[N@@H+](CC)C2CCCCC2)c(=O)[nH]c1=O ZINC000040468767 183073635 /nfs/dbraw/zinc/07/36/35/183073635.db2.gz WNUHTEBXOTYSKP-UHFFFAOYSA-N 1 1 322.409 0.976 50 0 DCAAMO C[C@@H](CNC(=O)CN1CCSC1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000040512353 183087556 /nfs/dbraw/zinc/08/75/56/183087556.db2.gz XESXOAPBEKMULF-QJPTWQEYSA-N 1 1 315.439 0.769 50 0 DCAAMO COc1ccc(CC(=O)N2CC[NH+](CCC(N)=O)CC2)cc1 ZINC000041532957 183199086 /nfs/dbraw/zinc/19/90/86/183199086.db2.gz WUELUGGPZKMMKU-UHFFFAOYSA-N 1 1 305.378 0.257 50 0 DCAAMO 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C[C@H](C(=O)N1CCOCC1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069873337 396092849 /nfs/dbraw/zinc/09/28/49/396092849.db2.gz OMNKPVBRMLZXHI-KGLIPLIRSA-N 1 1 307.398 0.237 50 0 DCAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2CCN2C(=O)CNC2=O)c1 ZINC000069976584 396096805 /nfs/dbraw/zinc/09/68/05/396096805.db2.gz HRZFGUKEHWSJIS-CYBMUJFWSA-N 1 1 305.382 0.598 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000070015579 396097964 /nfs/dbraw/zinc/09/79/64/396097964.db2.gz QOHOXMHULABZFG-GFCCVEGCSA-N 1 1 301.416 0.024 50 0 DCAAMO CCOCC[NH+]1CCN([C@@H](C)C(=O)NCc2ccco2)CC1 ZINC000070021787 396098476 /nfs/dbraw/zinc/09/84/76/396098476.db2.gz JOBARWMHTXCYSR-AWEZNQCLSA-N 1 1 309.410 0.938 50 0 DCAAMO CC(C)n1nccc1NC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000071864434 396119277 /nfs/dbraw/zinc/11/92/77/396119277.db2.gz AAUQDUXGJIUYRA-UONOGXRCSA-N 1 1 323.441 0.789 50 0 DCAAMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071875676 396120127 /nfs/dbraw/zinc/12/01/27/396120127.db2.gz 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396122307 /nfs/dbraw/zinc/12/23/07/396122307.db2.gz LAJLSZKREBSRQK-JKSUJKDBSA-N 1 1 323.437 0.711 50 0 DCAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000071881888 396122475 /nfs/dbraw/zinc/12/24/75/396122475.db2.gz VDWWKNJSJBKCRX-HNNXBMFYSA-N 1 1 322.405 0.850 50 0 DCAAMO CCc1nc(CN2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)no1 ZINC000071882279 396122550 /nfs/dbraw/zinc/12/25/50/396122550.db2.gz IALKOQNRHKIFJX-ZDUSSCGKSA-N 1 1 319.413 0.820 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)NC1CCOCC1 ZINC000071880482 396122636 /nfs/dbraw/zinc/12/26/36/396122636.db2.gz NTHZKDRBNCSZFR-HZPDHXFCSA-N 1 1 323.437 0.757 50 0 DCAAMO Cn1cc([C@H](CNC(=O)NCC[C@H]2CCCO2)[NH+](C)C)cn1 ZINC000072287687 396129896 /nfs/dbraw/zinc/12/98/96/396129896.db2.gz GDFQDTNYPJDSRN-KGLIPLIRSA-N 1 1 309.414 0.891 50 0 DCAAMO O=C(c1ccc(=O)[nH]n1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000069326508 396074706 /nfs/dbraw/zinc/07/47/06/396074706.db2.gz WPRKZFQOPVRWDK-GFCCVEGCSA-N 1 1 306.366 0.509 50 0 DCAAMO NC(=O)NC(=O)CC[NH+]1CCN(C(=O)CC2CCCC2)CC1 ZINC000069351528 396075962 /nfs/dbraw/zinc/07/59/62/396075962.db2.gz DQOZGSIILHYXMZ-UHFFFAOYSA-N 1 1 310.398 0.296 50 0 DCAAMO CCNS(=O)(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192940586 396440851 /nfs/dbraw/zinc/44/08/51/396440851.db2.gz OXQHLKKSUSZUBI-AWEZNQCLSA-N 1 1 312.439 0.690 50 0 DCAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCS(=O)(=O)CC1 ZINC000562265666 396653644 /nfs/dbraw/zinc/65/36/44/396653644.db2.gz CNEPRVDIVAMGFQ-ZDUSSCGKSA-N 1 1 302.440 0.944 50 0 DCAAMO Cn1cnnc1CCC(=O)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000584891251 396633838 /nfs/dbraw/zinc/63/38/38/396633838.db2.gz BHPUGINBFBWMGJ-AWEZNQCLSA-N 1 1 321.425 0.053 50 0 DCAAMO C[NH+]1CCN(C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771156 415154565 /nfs/dbraw/zinc/15/45/65/415154565.db2.gz UMKHHVFLPHOCOC-GJZGRUSLSA-N 1 1 322.405 0.451 50 0 DCAAMO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000025408577 415162037 /nfs/dbraw/zinc/16/20/37/415162037.db2.gz 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/nfs/dbraw/zinc/25/63/16/415256316.db2.gz YOMVFOJEAGJXQS-LSDHHAIUSA-N 1 1 322.409 0.127 50 0 DCAAMO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046996744 415266307 /nfs/dbraw/zinc/26/63/07/415266307.db2.gz HCSCPAIDTALWEC-JHJVBQTASA-N 1 1 315.439 0.153 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000044894751 415229496 /nfs/dbraw/zinc/22/94/96/415229496.db2.gz DLYDREVYWJYGTP-ZDUSSCGKSA-N 1 1 317.455 0.259 50 0 DCAAMO CC[C@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735924 415499306 /nfs/dbraw/zinc/49/93/06/415499306.db2.gz PLAQNNJGVCEGRN-GJZGRUSLSA-N 1 1 306.410 0.761 50 0 DCAAMO CCOC(=O)CCC(=O)N1CC[NH+](CCn2ccnc2)CC1 ZINC000075158001 415437903 /nfs/dbraw/zinc/43/79/03/415437903.db2.gz JKHUBYIESOHWNF-UHFFFAOYSA-N 1 1 308.382 0.371 50 0 DCAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000075132256 415437919 /nfs/dbraw/zinc/43/79/19/415437919.db2.gz HOADHHIBNSMABQ-LBPRGKRZSA-N 1 1 305.382 0.726 50 0 DCAAMO 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/nfs/dbraw/zinc/32/67/46/416326746.db2.gz NKJAGQFJJYLIBZ-BFHYXJOUSA-N 1 1 303.472 0.730 50 0 DCAAMO [NH3+]Cc1nc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cs1 ZINC000238020357 416329579 /nfs/dbraw/zinc/32/95/79/416329579.db2.gz RXXRTRMOZUBNFC-LBPRGKRZSA-N 1 1 324.450 0.929 50 0 DCAAMO CC(C)n1cnnc1[C@H](C)NC(=O)CC[NH+]1CCN(C)CC1 ZINC000244673754 416330871 /nfs/dbraw/zinc/33/08/71/416330871.db2.gz HUXFNGPLHWKNPG-ZDUSSCGKSA-N 1 1 308.430 0.674 50 0 DCAAMO CNc1ncc(C(=O)N2CCC([N@@H+](C)CCN(C)C)CC2)cn1 ZINC000584888279 416515726 /nfs/dbraw/zinc/51/57/26/416515726.db2.gz RIPHDNDPNZDTOL-UHFFFAOYSA-N 1 1 320.441 0.616 50 0 DCAAMO CNc1ncc(C(=O)N2CCC(N(C)CC[NH+](C)C)CC2)cn1 ZINC000584888279 416515729 /nfs/dbraw/zinc/51/57/29/416515729.db2.gz RIPHDNDPNZDTOL-UHFFFAOYSA-N 1 1 320.441 0.616 50 0 DCAAMO CN(C(=O)[C@H]1CCCCC(=O)N1)C(C)(C)C[NH+]1CCOCC1 ZINC000408520875 288905997 /nfs/dbraw/zinc/90/59/97/288905997.db2.gz VJZLMZDCAHPOMR-CYBMUJFWSA-N 1 1 311.426 0.614 50 0 DCAAMO 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/nfs/dbraw/zinc/11/43/87/191114387.db2.gz XGYFFVXXTYJAGG-GFCCVEGCSA-N 1 1 309.395 0.778 50 0 DCAAMO Cc1nc[nH]c1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072417812 191155942 /nfs/dbraw/zinc/15/59/42/191155942.db2.gz SNTIVGHCTRHWRG-DZGCQCFKSA-N 1 1 306.410 0.913 50 0 DCAAMO O=C(NCCCn1nccc1C1CC1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072462581 191172197 /nfs/dbraw/zinc/17/21/97/191172197.db2.gz AAGPYKCEVBBIJD-HNNXBMFYSA-N 1 1 314.393 0.877 50 0 DCAAMO CC(C)[C@@H](CNC(=O)N[C@H](C)Cn1cccn1)[NH+]1CCOCC1 ZINC000089791347 192871222 /nfs/dbraw/zinc/87/12/22/192871222.db2.gz POBVHRFGPVJFOH-HUUCEWRRSA-N 1 1 323.441 0.928 50 0 DCAAMO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CNCCO1 ZINC000237518066 202268093 /nfs/dbraw/zinc/26/80/93/202268093.db2.gz QMQATYSCEHSYTK-KBMXLJTQSA-N 1 1 318.421 0.397 50 0 DCAAMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CNCCO1 ZINC000237518066 202268096 /nfs/dbraw/zinc/26/80/96/202268096.db2.gz QMQATYSCEHSYTK-KBMXLJTQSA-N 1 1 318.421 0.397 50 0 DCAAMO COc1ccc([C@H](CNS(C)(=O)=O)[NH+](C)C)cc1OC ZINC000006086176 181311585 /nfs/dbraw/zinc/31/15/85/181311585.db2.gz YQHNEULDFJZDAQ-NSHDSACASA-N 1 1 302.396 0.856 50 0 DCAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000089937990 192912567 /nfs/dbraw/zinc/91/25/67/192912567.db2.gz PWJUOUCULGMIHW-GFCCVEGCSA-N 1 1 315.377 0.344 50 0 DCAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000089937990 192912570 /nfs/dbraw/zinc/91/25/70/192912570.db2.gz PWJUOUCULGMIHW-GFCCVEGCSA-N 1 1 315.377 0.344 50 0 DCAAMO CCOc1ncccc1CNC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000091587237 193076089 /nfs/dbraw/zinc/07/60/89/193076089.db2.gz BBVVUKKQHIBMCU-UHFFFAOYSA-N 1 1 320.393 0.294 50 0 DCAAMO C[N@@H+](CCO)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1CO ZINC000091643900 193084403 /nfs/dbraw/zinc/08/44/03/193084403.db2.gz HPNAYLBDZBRXEX-HUUCEWRRSA-N 1 1 322.405 0.380 50 0 DCAAMO COCc1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091737349 193099728 /nfs/dbraw/zinc/09/97/28/193099728.db2.gz APLHIYVUWKLYHA-OAHLLOKOSA-N 1 1 324.381 0.023 50 0 DCAAMO COCc1noc(C[N@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091737349 193099730 /nfs/dbraw/zinc/09/97/30/193099730.db2.gz APLHIYVUWKLYHA-OAHLLOKOSA-N 1 1 324.381 0.023 50 0 DCAAMO O=C1CCC2(CC[NH+](Cc3ncccn3)CC2)CN1CCO ZINC000091757463 193103417 /nfs/dbraw/zinc/10/34/17/193103417.db2.gz OHJMUCUBLHYAMI-UHFFFAOYSA-N 1 1 304.394 0.674 50 0 DCAAMO Cn1cc(Cl)c(C(=O)NC(=S)N2CC[NH+](C)CC2)n1 ZINC000019840217 182155926 /nfs/dbraw/zinc/15/59/26/182155926.db2.gz PLCZRJPTXRWXBJ-UHFFFAOYSA-N 1 1 301.803 0.336 50 0 DCAAMO COc1ccc(OCCOC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000020789787 182247407 /nfs/dbraw/zinc/24/74/07/182247407.db2.gz GORSRZQECPDYEL-AWEZNQCLSA-N 1 1 311.378 0.784 50 0 DCAAMO C[C@H]1C[NH+](C(C)(C)CNc2ccc3nnnn3n2)C[C@H](C)O1 ZINC000022385891 182320427 /nfs/dbraw/zinc/32/04/27/182320427.db2.gz WOVQAQSJUWZTSD-QWRGUYRKSA-N 1 1 305.386 0.819 50 0 DCAAMO CNC(=O)NC(=O)CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000022918672 182341504 /nfs/dbraw/zinc/34/15/04/182341504.db2.gz ZPGLJATZDSFZSK-UHFFFAOYSA-N 1 1 304.394 0.568 50 0 DCAAMO NC(=O)NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000024245164 182377913 /nfs/dbraw/zinc/37/79/13/182377913.db2.gz VDKDLUNHGFJNSL-UHFFFAOYSA-N 1 1 308.357 0.528 50 0 DCAAMO CC(C)C[C@H](C)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000027138002 182463398 /nfs/dbraw/zinc/46/33/98/182463398.db2.gz JOZIWXWCHQKGCW-JTQLQIEISA-N 1 1 310.398 0.215 50 0 DCAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000040512942 183088034 /nfs/dbraw/zinc/08/80/34/183088034.db2.gz GPGKSHHDIZKROL-UHFFFAOYSA-N 1 1 314.393 0.716 50 0 DCAAMO CC[C@](C)(CNC(=O)CN1CCSC1=O)[NH+]1CCOCC1 ZINC000040515340 183088557 /nfs/dbraw/zinc/08/85/57/183088557.db2.gz DQFPZFKTQZQONM-CQSZACIVSA-N 1 1 315.439 0.772 50 0 DCAAMO COc1cc[nH+]c(N2CCN(CCCS(C)(=O)=O)CC2)c1 ZINC000104720136 194031227 /nfs/dbraw/zinc/03/12/27/194031227.db2.gz SPPJGWBDKVBBKG-UHFFFAOYSA-N 1 1 313.423 0.647 50 0 DCAAMO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106510620 194221492 /nfs/dbraw/zinc/22/14/92/194221492.db2.gz SXAUNLLPTSVXTJ-AAVRWANBSA-N 1 1 323.437 0.611 50 0 DCAAMO CCS(=O)(=O)CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000057223808 184029919 /nfs/dbraw/zinc/02/99/19/184029919.db2.gz OAGDRELHEPODFL-UHFFFAOYSA-N 1 1 308.363 0.949 50 0 DCAAMO NC(=O)[C@@H]1CCC[N@H+](CN2C(=O)NC3(CCCCCC3)C2=O)C1 ZINC000058169425 184083876 /nfs/dbraw/zinc/08/38/76/184083876.db2.gz FGALAXFDNLVKKG-GFCCVEGCSA-N 1 1 322.409 0.786 50 0 DCAAMO NC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CCCCCC3)C2=O)C1 ZINC000058169425 184083877 /nfs/dbraw/zinc/08/38/77/184083877.db2.gz FGALAXFDNLVKKG-GFCCVEGCSA-N 1 1 322.409 0.786 50 0 DCAAMO Cc1cc(C(=O)NC2CC[NH+](CC(=O)NCC(C)C)CC2)no1 ZINC000058343985 184107203 /nfs/dbraw/zinc/10/72/03/184107203.db2.gz LLBBSVGLBWTZCU-UHFFFAOYSA-N 1 1 322.409 0.949 50 0 DCAAMO Cc1noc(C2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000065541583 184363577 /nfs/dbraw/zinc/36/35/77/184363577.db2.gz HHSLRBLDISOZMH-LLVKDONJSA-N 1 1 308.382 0.805 50 0 DCAAMO Cc1nn(CC[N@H+]2CCC[C@H](CO)C2)cc1CN1CCOCC1 ZINC000065507343 184356467 /nfs/dbraw/zinc/35/64/67/184356467.db2.gz XTNFMQKPGDKNLZ-INIZCTEOSA-N 1 1 322.453 0.728 50 0 DCAAMO COCC[NH+]1CCC(CN(C)C(=O)NCc2nnc[nH]2)CC1 ZINC000426431748 257250162 /nfs/dbraw/zinc/25/01/62/257250162.db2.gz GSELHZBUCJTSAE-UHFFFAOYSA-N 1 1 310.402 0.305 50 0 DCAAMO Cc1nnc(CNC(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)[nH]1 ZINC000426434492 257250401 /nfs/dbraw/zinc/25/04/01/257250401.db2.gz QGNSCASLCWDWQM-ZDUSSCGKSA-N 1 1 324.429 0.347 50 0 DCAAMO Cc1nc(CNC(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)n[nH]1 ZINC000426434492 257250403 /nfs/dbraw/zinc/25/04/03/257250403.db2.gz QGNSCASLCWDWQM-ZDUSSCGKSA-N 1 1 324.429 0.347 50 0 DCAAMO Cc1nc(CNC(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)n[nH]1 ZINC000426434492 257250405 /nfs/dbraw/zinc/25/04/05/257250405.db2.gz QGNSCASLCWDWQM-ZDUSSCGKSA-N 1 1 324.429 0.347 50 0 DCAAMO CC(C)C[C@@H](CNC(=O)[C@@H](C)n1cncn1)[NH+]1CCOCC1 ZINC000045236563 257269990 /nfs/dbraw/zinc/26/99/90/257269990.db2.gz BTXNTSMGEKCPLT-KGLIPLIRSA-N 1 1 309.414 0.702 50 0 DCAAMO CCS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000012196487 395687221 /nfs/dbraw/zinc/68/72/21/395687221.db2.gz WOXNTZSVKQPBEE-LLVKDONJSA-N 1 1 300.380 0.957 50 0 DCAAMO OCC[NH+]1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1 ZINC000020995751 395691441 /nfs/dbraw/zinc/69/14/41/395691441.db2.gz ZWFVLYOKYGMDLM-UHFFFAOYSA-N 1 1 303.341 0.792 50 0 DCAAMO Cn1ncc2c1nc(NCC[NH+](C)C)nc2N1CCN(C)CC1 ZINC000021929815 395691743 /nfs/dbraw/zinc/69/17/43/395691743.db2.gz WYILYPNHHDVACD-UHFFFAOYSA-N 1 1 318.429 0.089 50 0 DCAAMO COc1cc(C(=O)NN2CC[NH+](C)CC2)cc(OC)c1OC ZINC000000168530 395679946 /nfs/dbraw/zinc/67/99/46/395679946.db2.gz YGOSHSDGRPRRRK-UHFFFAOYSA-N 1 1 309.366 0.605 50 0 DCAAMO C[N@H+]1CCCN(C(=S)NCCCN2CCOCC2)CC1 ZINC000002161115 395681456 /nfs/dbraw/zinc/68/14/56/395681456.db2.gz HTVBQTJJTCKZMC-UHFFFAOYSA-N 1 1 300.472 0.221 50 0 DCAAMO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@@H]1c1ccco1 ZINC000002436911 395681610 /nfs/dbraw/zinc/68/16/10/395681610.db2.gz UUNXEQBSBBXKBH-NWDGAFQWSA-N 1 1 321.333 0.318 50 0 DCAAMO CC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CC1 ZINC000029913711 395700409 /nfs/dbraw/zinc/70/04/09/395700409.db2.gz PBJMXDYAYMBGSY-UHFFFAOYSA-N 1 1 323.418 0.707 50 0 DCAAMO Cc1nnc2ccc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)cn12 ZINC000089740911 395714489 /nfs/dbraw/zinc/71/44/89/395714489.db2.gz GPLGIMPQGCNVCC-NSHDSACASA-N 1 1 303.366 0.176 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000089937282 395717381 /nfs/dbraw/zinc/71/73/81/395717381.db2.gz UHYQICMSXAGYFT-YOEHRIQHSA-N 1 1 319.453 0.447 50 0 DCAAMO O=S(=O)(c1ccc(Cl)c2nonc21)N1CC[NH2+]CC1 ZINC000036352086 395723397 /nfs/dbraw/zinc/72/33/97/395723397.db2.gz DLZFUDPFIRGUCX-UHFFFAOYSA-N 1 1 302.743 0.470 50 0 DCAAMO CC(=O)N[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000028012551 395695652 /nfs/dbraw/zinc/69/56/52/395695652.db2.gz XRKDFMZYIWIQEC-CABCVRRESA-N 1 1 313.442 0.620 50 0 DCAAMO CC(C)N1C(=O)N[C@]2(CC[N@H+](CCOCC(F)(F)F)C2)C1=O ZINC000084597350 395698364 /nfs/dbraw/zinc/69/83/64/395698364.db2.gz QFJQUROVBKUKDE-LBPRGKRZSA-N 1 1 323.315 0.970 50 0 DCAAMO CC(C)N1C(=O)N[C@]2(CC[N@@H+](CCOCC(F)(F)F)C2)C1=O ZINC000084597350 395698366 /nfs/dbraw/zinc/69/83/66/395698366.db2.gz QFJQUROVBKUKDE-LBPRGKRZSA-N 1 1 323.315 0.970 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCN(c2ccccc2F)CC1 ZINC000039519502 395732681 /nfs/dbraw/zinc/73/26/81/395732681.db2.gz LANMZQQYYGPDRD-AWEZNQCLSA-N 1 1 321.396 0.931 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN(Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000095402443 395740345 /nfs/dbraw/zinc/74/03/45/395740345.db2.gz CABSESQOTSRDKF-SWLSCSKDSA-N 1 1 321.425 0.753 50 0 DCAAMO CC[NH+]1CCN(C(=O)CCNC(=O)c2cc(C)nn2C)CC1 ZINC000096192452 395748497 /nfs/dbraw/zinc/74/84/97/395748497.db2.gz IPJBUKIJYIUKLU-UHFFFAOYSA-N 1 1 307.398 0.013 50 0 DCAAMO COCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3C)C[C@]2(C(=O)[O-])C1 ZINC000096149046 395746315 /nfs/dbraw/zinc/74/63/15/395746315.db2.gz JMBLIVXSRAAAKZ-NVXWUHKLSA-N 1 1 319.405 0.855 50 0 DCAAMO COCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3C)C[C@]2(C(=O)[O-])C1 ZINC000096149046 395746317 /nfs/dbraw/zinc/74/63/17/395746317.db2.gz JMBLIVXSRAAAKZ-NVXWUHKLSA-N 1 1 319.405 0.855 50 0 DCAAMO COCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3C)C[C@]2(C(=O)[O-])C1 ZINC000096149046 395746318 /nfs/dbraw/zinc/74/63/18/395746318.db2.gz JMBLIVXSRAAAKZ-NVXWUHKLSA-N 1 1 319.405 0.855 50 0 DCAAMO COCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@]2(C(=O)[O-])C1 ZINC000096149046 395746320 /nfs/dbraw/zinc/74/63/20/395746320.db2.gz JMBLIVXSRAAAKZ-NVXWUHKLSA-N 1 1 319.405 0.855 50 0 DCAAMO CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000096404638 395752717 /nfs/dbraw/zinc/75/27/17/395752717.db2.gz INLYJLWAOKHDLL-SNVBAGLBSA-N 1 1 314.386 0.431 50 0 DCAAMO Cc1cccn(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1=O ZINC000096455272 395754068 /nfs/dbraw/zinc/75/40/68/395754068.db2.gz JOXGBPKRQVKWNL-HNNXBMFYSA-N 1 1 321.421 0.630 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@@H]1CO)N[C@@H]1CCN(c2ccccn2)C1 ZINC000096494432 395754148 /nfs/dbraw/zinc/75/41/48/395754148.db2.gz CHBMRFXNZJXXBH-ZIAGYGMSSA-N 1 1 304.394 0.233 50 0 DCAAMO CC(CO)(CO)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000097373270 395757584 /nfs/dbraw/zinc/75/75/84/395757584.db2.gz BHBQKWSZBAXXRW-HNNXBMFYSA-N 1 1 306.406 0.758 50 0 DCAAMO Cc1ccc(C[N@H+](C)CC(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc1 ZINC000097463654 395757880 /nfs/dbraw/zinc/75/78/80/395757880.db2.gz FHNYDRSVHAQUIY-DOTOQJQBSA-N 1 1 306.406 0.771 50 0 DCAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc1 ZINC000097463654 395757884 /nfs/dbraw/zinc/75/78/84/395757884.db2.gz FHNYDRSVHAQUIY-DOTOQJQBSA-N 1 1 306.406 0.771 50 0 DCAAMO OCCN1CC[N@H+](C2CCN(c3ccccc3)CC2)C[C@@H](O)C1 ZINC000097717035 395760569 /nfs/dbraw/zinc/76/05/69/395760569.db2.gz AWWAWWQUXQSSDZ-SFHVURJKSA-N 1 1 319.449 0.626 50 0 DCAAMO COc1ccc(C(=O)N2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC000102695397 395771494 /nfs/dbraw/zinc/77/14/94/395771494.db2.gz UEDPSVGOTFTARZ-FVQHAEBGSA-N 1 1 315.417 0.918 50 0 DCAAMO CC1CC[NH+](CCNC(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000048754814 395823201 /nfs/dbraw/zinc/82/32/01/395823201.db2.gz HETPNKIENBJJFD-ZDUSSCGKSA-N 1 1 317.455 0.452 50 0 DCAAMO O=C(Cc1nc2ccc(Cl)cc2[nH]1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000218987022 395843957 /nfs/dbraw/zinc/84/39/57/395843957.db2.gz CMTXHQSTZWFVHY-ZYHUDNBSSA-N 1 1 308.769 0.598 50 0 DCAAMO CC[N@@H+]1C[C@H](NC(=O)c2scc3c2OCCO3)[C@@H](OC)C1 ZINC000223850655 395856297 /nfs/dbraw/zinc/85/62/97/395856297.db2.gz MEAWJRMURMJOHP-UWVGGRQHSA-N 1 1 312.391 0.968 50 0 DCAAMO CC[N@H+]1C[C@H](NC(=O)c2scc3c2OCCO3)[C@@H](OC)C1 ZINC000223850655 395856299 /nfs/dbraw/zinc/85/62/99/395856299.db2.gz MEAWJRMURMJOHP-UWVGGRQHSA-N 1 1 312.391 0.968 50 0 DCAAMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000054455489 395900151 /nfs/dbraw/zinc/90/01/51/395900151.db2.gz OBAKYFPPUCCPDU-CQSZACIVSA-N 1 1 300.366 0.231 50 0 DCAAMO CCc1nnc(NC(=O)CC[N@@H+](C)C[C@H]2COCCO2)s1 ZINC000244817216 395925553 /nfs/dbraw/zinc/92/55/53/395925553.db2.gz SWGWZRMDMYHHMB-JTQLQIEISA-N 1 1 314.411 0.776 50 0 DCAAMO Cc1cccc(C(=O)N2CCC[N@@H+]([C@@H]3COC[C@H]3O)CC2)c1 ZINC000225846556 395864428 /nfs/dbraw/zinc/86/44/28/395864428.db2.gz UMOIZPUYKHPPSY-HZPDHXFCSA-N 1 1 304.390 0.903 50 0 DCAAMO Cc1cccc(C(=O)N2CCC[N@H+]([C@@H]3COC[C@H]3O)CC2)c1 ZINC000225846556 395864430 /nfs/dbraw/zinc/86/44/30/395864430.db2.gz UMOIZPUYKHPPSY-HZPDHXFCSA-N 1 1 304.390 0.903 50 0 DCAAMO CC[N@@H+]1C[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)[C@@H](C)C1 ZINC000229310367 395874251 /nfs/dbraw/zinc/87/42/51/395874251.db2.gz QHLODQSUAKNYLR-GWCFXTLKSA-N 1 1 311.407 0.404 50 0 DCAAMO CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000229310359 395874332 /nfs/dbraw/zinc/87/43/32/395874332.db2.gz QHLODQSUAKNYLR-MFKMUULPSA-N 1 1 311.407 0.404 50 0 DCAAMO COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000229436853 395874943 /nfs/dbraw/zinc/87/49/43/395874943.db2.gz KMYBPKHNDOFTBA-TZMCWYRMSA-N 1 1 319.405 0.550 50 0 DCAAMO C[C@H](O)CN1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000229554166 395875421 /nfs/dbraw/zinc/87/54/21/395875421.db2.gz HODYAMGWQIFNOB-ULQDDVLXSA-N 1 1 313.486 0.466 50 0 DCAAMO NC(=O)Cn1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000229830896 395876563 /nfs/dbraw/zinc/87/65/63/395876563.db2.gz YSNUXGSBMGIHDI-RYUDHWBXSA-N 1 1 306.370 0.117 50 0 DCAAMO O[C@@H](COCc1ccco1)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000247768821 395978808 /nfs/dbraw/zinc/97/88/08/395978808.db2.gz NAHBSSURSLWONH-UONOGXRCSA-N 1 1 306.366 0.913 50 0 DCAAMO CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[N@H+](C)C[C@H]1C ZINC000252512269 396022738 /nfs/dbraw/zinc/02/27/38/396022738.db2.gz OPGKQUVANHPCDW-TZMCWYRMSA-N 1 1 304.394 0.819 50 0 DCAAMO CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[N@@H+](C)C[C@H]1C ZINC000252512269 396022741 /nfs/dbraw/zinc/02/27/41/396022741.db2.gz OPGKQUVANHPCDW-TZMCWYRMSA-N 1 1 304.394 0.819 50 0 DCAAMO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2c[nH]cn2)[C@H](C)C1 ZINC000252668721 396023997 /nfs/dbraw/zinc/02/39/97/396023997.db2.gz FKAKSBACPDRJEI-DGCLKSJQSA-N 1 1 300.428 0.948 50 0 DCAAMO CCOc1ccc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)COC)C2)cc1 ZINC000253407355 396027120 /nfs/dbraw/zinc/02/71/20/396027120.db2.gz JTRGMOFEWQTMBZ-GOEBONIOSA-N 1 1 322.405 0.641 50 0 DCAAMO Cn1nccc1CC[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000253421173 396027992 /nfs/dbraw/zinc/02/79/92/396027992.db2.gz REHKBIMIPWWFHA-HNNXBMFYSA-N 1 1 306.410 0.676 50 0 DCAAMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000253413752 396028218 /nfs/dbraw/zinc/02/82/18/396028218.db2.gz VPEYUGIHYCEPHY-LSDHHAIUSA-N 1 1 314.389 0.643 50 0 DCAAMO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000253490440 396029658 /nfs/dbraw/zinc/02/96/58/396029658.db2.gz IRUZDODHHQGWPC-QWHCGFSZSA-N 1 1 302.440 0.896 50 0 DCAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000253490440 396029662 /nfs/dbraw/zinc/02/96/62/396029662.db2.gz IRUZDODHHQGWPC-QWHCGFSZSA-N 1 1 302.440 0.896 50 0 DCAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCCC[C@H]2Cn2cncn2)CCO1 ZINC000253601259 396031276 /nfs/dbraw/zinc/03/12/76/396031276.db2.gz NOGBPFZHDFPSPO-KBPBESRZSA-N 1 1 307.398 0.380 50 0 DCAAMO C[C@H]1CN(C(=O)C[N@H+]2CCCC[C@H]2Cn2cncn2)CCO1 ZINC000253601259 396031280 /nfs/dbraw/zinc/03/12/80/396031280.db2.gz NOGBPFZHDFPSPO-KBPBESRZSA-N 1 1 307.398 0.380 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000249703436 396011553 /nfs/dbraw/zinc/01/15/53/396011553.db2.gz ZXJQMAQVELKZHL-MJBXVCDLSA-N 1 1 314.451 0.896 50 0 DCAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)Cn3cccn3)CC2)cn1 ZINC000069652053 396086247 /nfs/dbraw/zinc/08/62/47/396086247.db2.gz MJAXTWINSKAKCY-UHFFFAOYSA-N 1 1 316.409 0.834 50 0 DCAAMO CCn1cc(C[N@H+]2CCCN(C(=O)Cn3cccn3)CC2)cn1 ZINC000069652053 396086251 /nfs/dbraw/zinc/08/62/51/396086251.db2.gz MJAXTWINSKAKCY-UHFFFAOYSA-N 1 1 316.409 0.834 50 0 DCAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC000069706810 396087511 /nfs/dbraw/zinc/08/75/11/396087511.db2.gz KAAKBWSOZZLNGO-ZDUSSCGKSA-N 1 1 320.397 0.159 50 0 DCAAMO C[N@H+]1CC[C@H](C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000069737529 396088864 /nfs/dbraw/zinc/08/88/64/396088864.db2.gz BGQCNEMKLKBLDL-IRXDYDNUSA-N 1 1 317.433 0.816 50 0 DCAAMO O=C1OCC[C@H]1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000069771877 396089420 /nfs/dbraw/zinc/08/94/20/396089420.db2.gz DEBLDWGTTVAVKL-GOEBONIOSA-N 1 1 320.389 0.359 50 0 DCAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2C1=O ZINC000169751579 396091178 /nfs/dbraw/zinc/09/11/78/396091178.db2.gz FPQZBOAZEVPTRF-OKILXGFUSA-N 1 1 306.337 0.889 50 0 DCAAMO CCOCC[NH+]1CCN([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069844783 396091744 /nfs/dbraw/zinc/09/17/44/396091744.db2.gz VFPCFBHBPLHMQV-NSHDSACASA-N 1 1 311.348 0.708 50 0 DCAAMO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)CC2 ZINC000069874418 396093258 /nfs/dbraw/zinc/09/32/58/396093258.db2.gz FPYFRKXICPEAKP-LBPRGKRZSA-N 1 1 310.365 0.667 50 0 DCAAMO CCCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000069895846 396093826 /nfs/dbraw/zinc/09/38/26/396093826.db2.gz FURYQHCOYMGQRR-CQSZACIVSA-N 1 1 303.472 0.828 50 0 DCAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2CCN2C(=O)CNC2=O)c1 ZINC000069976582 396097363 /nfs/dbraw/zinc/09/73/63/396097363.db2.gz HRZFGUKEHWSJIS-ZDUSSCGKSA-N 1 1 305.382 0.598 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccnc2N(C)C)CC1 ZINC000070004057 396097514 /nfs/dbraw/zinc/09/75/14/396097514.db2.gz FDBLIPRSUBNPAI-CYBMUJFWSA-N 1 1 306.410 0.676 50 0 DCAAMO CC(=O)Nc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000071315034 396112619 /nfs/dbraw/zinc/11/26/19/396112619.db2.gz GAFWMOOMJJGTLQ-LBPRGKRZSA-N 1 1 318.377 0.781 50 0 DCAAMO CC(=O)Nc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000071315034 396112625 /nfs/dbraw/zinc/11/26/25/396112625.db2.gz GAFWMOOMJJGTLQ-LBPRGKRZSA-N 1 1 318.377 0.781 50 0 DCAAMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cnc3ccsc3c2=O)C[C@H](C)O1 ZINC000071825059 396116852 /nfs/dbraw/zinc/11/68/52/396116852.db2.gz RTQCWLXAUMMDSV-TUAOUCFPSA-N 1 1 323.418 0.928 50 0 DCAAMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cnc3ccsc3c2=O)C[C@H](C)O1 ZINC000071825059 396116855 /nfs/dbraw/zinc/11/68/55/396116855.db2.gz RTQCWLXAUMMDSV-TUAOUCFPSA-N 1 1 323.418 0.928 50 0 DCAAMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)CC(N)=O ZINC000071822577 396116933 /nfs/dbraw/zinc/11/69/33/396116933.db2.gz VYNQDDWHCUUPPU-HIFRSBDPSA-N 1 1 318.421 0.183 50 0 DCAAMO COc1ccnc(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000071837371 396117918 /nfs/dbraw/zinc/11/79/18/396117918.db2.gz PPOYWVWJAFNFHL-UHFFFAOYSA-N 1 1 307.398 0.474 50 0 DCAAMO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)c2nccnc2N)CC1 ZINC000071871861 396120193 /nfs/dbraw/zinc/12/01/93/396120193.db2.gz ZCIOTLVGZKSZFE-LLVKDONJSA-N 1 1 307.398 0.224 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000072268901 396127794 /nfs/dbraw/zinc/12/77/94/396127794.db2.gz AEGTWHBBNKWJPP-GFCCVEGCSA-N 1 1 303.366 0.258 50 0 DCAAMO O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(C2CCOCC2)CC1 ZINC000261919053 396079471 /nfs/dbraw/zinc/07/94/71/396079471.db2.gz IOOQZUHBGLHNNE-OAHLLOKOSA-N 1 1 307.438 0.699 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N2CCO[C@H](C)C2)n1 ZINC000069491511 396080523 /nfs/dbraw/zinc/08/05/23/396080523.db2.gz DPNTWEFHROFVDW-DOMZBBRYSA-N 1 1 321.425 0.607 50 0 DCAAMO Cc1ncc2c(n1)CN(C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000069492721 396080558 /nfs/dbraw/zinc/08/05/58/396080558.db2.gz MMOWEBQMCXWBDY-ZENOOKHLSA-N 1 1 320.437 0.613 50 0 DCAAMO Cc1ncc2c(n1)CN(C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000069492721 396080561 /nfs/dbraw/zinc/08/05/61/396080561.db2.gz MMOWEBQMCXWBDY-ZENOOKHLSA-N 1 1 320.437 0.613 50 0 DCAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000075606042 396182631 /nfs/dbraw/zinc/18/26/31/396182631.db2.gz YZCPHROAXRJJSM-CHWSQXEVSA-N 1 1 322.409 0.404 50 0 DCAAMO Cc1ccc(N2CCCN(C(=O)C[N@H+](C)C3CC3)CC2)nn1 ZINC000075603324 396182747 /nfs/dbraw/zinc/18/27/47/396182747.db2.gz NSCWZEZFJIMZDT-UHFFFAOYSA-N 1 1 303.410 0.918 50 0 DCAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)no1 ZINC000078890929 396256391 /nfs/dbraw/zinc/25/63/91/396256391.db2.gz IUTHTIFJCUFOGN-AWEZNQCLSA-N 1 1 317.393 0.783 50 0 DCAAMO O[C@]1(C[NH+]2CCCC2)COCCN(c2ncnc3[nH]cnc32)C1 ZINC000077303130 396218602 /nfs/dbraw/zinc/21/86/02/396218602.db2.gz XOKQNUYWAMHPDH-HNNXBMFYSA-N 1 1 318.381 0.016 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2C)CC1 ZINC000084124222 396318433 /nfs/dbraw/zinc/31/84/33/396318433.db2.gz JPUCDDWRABFHSB-MLGOLLRUSA-N 1 1 306.410 0.967 50 0 DCAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCC(CC(N)=O)CC2)C1 ZINC000584899111 396636591 /nfs/dbraw/zinc/63/65/91/396636591.db2.gz NNCQFMWLJPIHSY-CQSZACIVSA-N 1 1 311.426 0.600 50 0 DCAAMO C[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)CC1 ZINC000584902089 396636844 /nfs/dbraw/zinc/63/68/44/396636844.db2.gz SEFXHDWBHKZNNZ-CQSZACIVSA-N 1 1 318.425 0.793 50 0 DCAAMO Cn1cccc(C(=O)NCc2cn(-c3cc[nH+]cc3)nn2)c1=O ZINC000390830345 397302952 /nfs/dbraw/zinc/30/29/52/397302952.db2.gz KKPWJVPISFFADW-UHFFFAOYSA-N 1 1 310.317 0.291 50 0 DCAAMO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408093314 397346491 /nfs/dbraw/zinc/34/64/91/397346491.db2.gz OBYSCACUJXYZJM-ATGSNQNLSA-N 1 1 311.426 0.469 50 0 DCAAMO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000331252054 287145473 /nfs/dbraw/zinc/14/54/73/287145473.db2.gz UECVPYFEGSFANQ-CYBMUJFWSA-N 1 1 308.426 0.869 50 0 DCAAMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000331252054 287145476 /nfs/dbraw/zinc/14/54/76/287145476.db2.gz UECVPYFEGSFANQ-CYBMUJFWSA-N 1 1 308.426 0.869 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000025227474 415162285 /nfs/dbraw/zinc/16/22/85/415162285.db2.gz MIKMYWHQQMQIIH-UHFFFAOYSA-N 1 1 311.332 0.905 50 0 DCAAMO COCCn1nc(C(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1=O ZINC000044940195 415234696 /nfs/dbraw/zinc/23/46/96/415234696.db2.gz KTKFDYDBAMNOMY-CYBMUJFWSA-N 1 1 322.409 0.494 50 0 DCAAMO Cc1nc(CNC(=O)NC2CC[NH+](CC(N)=O)CC2)cs1 ZINC000045326025 415247059 /nfs/dbraw/zinc/24/70/59/415247059.db2.gz XKVQMAIKTKDRIB-UHFFFAOYSA-N 1 1 311.411 0.200 50 0 DCAAMO NC(=O)C[NH+]1CCC(NC(=O)c2scnc2Cl)CC1 ZINC000047304190 415269506 /nfs/dbraw/zinc/26/95/06/415269506.db2.gz ZAQPFWZDCCZIBQ-UHFFFAOYSA-N 1 1 302.787 0.476 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccco2)CC1 ZINC000048300432 415286335 /nfs/dbraw/zinc/28/63/35/415286335.db2.gz ZZPPROYHBWKVRW-GFCCVEGCSA-N 1 1 322.409 0.720 50 0 DCAAMO COc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c(OC)c1 ZINC000048253318 415286887 /nfs/dbraw/zinc/28/68/87/415286887.db2.gz MLLSIOJPRJZZRE-UHFFFAOYSA-N 1 1 321.377 0.383 50 0 DCAAMO C[N@@H+](CCO)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000049633515 415309624 /nfs/dbraw/zinc/30/96/24/415309624.db2.gz QZWJZFLMIOIMTJ-UHFFFAOYSA-N 1 1 312.167 0.881 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 ZINC000069901742 415403539 /nfs/dbraw/zinc/40/35/39/415403539.db2.gz WXYOXQLAKIVAIE-ZNMIVQPWSA-N 1 1 306.410 0.439 50 0 DCAAMO CC[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735848 415501910 /nfs/dbraw/zinc/50/19/10/415501910.db2.gz PHRFGOHVRPEDBY-KBPBESRZSA-N 1 1 307.398 0.237 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000075602943 415447195 /nfs/dbraw/zinc/44/71/95/415447195.db2.gz INXDAPBHHMZOTB-CYBMUJFWSA-N 1 1 315.377 0.406 50 0 DCAAMO CCNc1ncc(C(=O)NCCC[NH+]2CCN(C)CC2)cn1 ZINC000095365781 415554080 /nfs/dbraw/zinc/55/40/80/415554080.db2.gz NPMSDLCTKCMYTD-UHFFFAOYSA-N 1 1 306.414 0.276 50 0 DCAAMO C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCN(C)CC1)C(C)(C)C ZINC000095411296 415560063 /nfs/dbraw/zinc/56/00/63/415560063.db2.gz GNSADXZPTLDPDQ-KBPBESRZSA-N 1 1 314.474 0.671 50 0 DCAAMO Cc1nc(CN2CC[NH+](CCCN3CCCC3=O)CC2)no1 ZINC000095959655 415570096 /nfs/dbraw/zinc/57/00/96/415570096.db2.gz CXOKDGYDTZYYOR-UHFFFAOYSA-N 1 1 307.398 0.508 50 0 DCAAMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1cn(CC(=O)OC)nn1 ZINC000108397296 415678284 /nfs/dbraw/zinc/67/82/84/415678284.db2.gz MWVVTGBHYBCCMR-YPMHNXCESA-N 1 1 324.381 0.930 50 0 DCAAMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1cn(CC(=O)OC)nn1 ZINC000108397296 415678294 /nfs/dbraw/zinc/67/82/94/415678294.db2.gz MWVVTGBHYBCCMR-YPMHNXCESA-N 1 1 324.381 0.930 50 0 DCAAMO CSc1ncc(C(=O)NCC[N@H+]2CCC[C@H](CO)C2)cn1 ZINC000299755404 416063711 /nfs/dbraw/zinc/06/37/11/416063711.db2.gz BTYIEENNBOXJOA-NSHDSACASA-N 1 1 310.423 0.633 50 0 DCAAMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000193359357 416315628 /nfs/dbraw/zinc/31/56/28/416315628.db2.gz JKFYHQWZZXMVFV-NSHDSACASA-N 1 1 314.411 0.217 50 0 DCAAMO CSc1ncc(CN2CCC[N@H+](CC(=O)N(C)C)CC2)cn1 ZINC000216226808 416327430 /nfs/dbraw/zinc/32/74/30/416327430.db2.gz CCWBLEQQVONDAC-UHFFFAOYSA-N 1 1 323.466 0.794 50 0 DCAAMO CSc1ncc(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)cn1 ZINC000216226808 416327431 /nfs/dbraw/zinc/32/74/31/416327431.db2.gz CCWBLEQQVONDAC-UHFFFAOYSA-N 1 1 323.466 0.794 50 0 DCAAMO CN(CCCc1nccn1C)C(=O)C[C@H]1CN(C)CC[N@H+]1C ZINC000244633469 416330261 /nfs/dbraw/zinc/33/02/61/416330261.db2.gz GDPFVCSQAXGGFO-AWEZNQCLSA-N 1 1 307.442 0.447 50 0 DCAAMO CN(CCCc1nccn1C)C(=O)C[C@H]1C[N@H+](C)CCN1C ZINC000244633469 416330262 /nfs/dbraw/zinc/33/02/62/416330262.db2.gz GDPFVCSQAXGGFO-AWEZNQCLSA-N 1 1 307.442 0.447 50 0 DCAAMO CN(CCCc1nccn1C)C(=O)C[C@H]1C[N@@H+](C)CCN1C ZINC000244633469 416330263 /nfs/dbraw/zinc/33/02/63/416330263.db2.gz GDPFVCSQAXGGFO-AWEZNQCLSA-N 1 1 307.442 0.447 50 0 DCAAMO CCOC(=O)CC1(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000242164682 416330384 /nfs/dbraw/zinc/33/03/84/416330384.db2.gz WWYVNSXWYVUIEP-LBPRGKRZSA-N 1 1 316.423 0.582 50 0 DCAAMO CCOC(=O)CC1(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000242164681 416330598 /nfs/dbraw/zinc/33/05/98/416330598.db2.gz WWYVNSXWYVUIEP-GFCCVEGCSA-N 1 1 316.423 0.582 50 0 DCAAMO Cn1c(CNCC2(Cn3cccn3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244734460 416330713 /nfs/dbraw/zinc/33/07/13/416330713.db2.gz NFUDPMJMJUJXQR-BETUJISGSA-N 1 1 315.425 0.786 50 0 DCAAMO NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000245237837 416331021 /nfs/dbraw/zinc/33/10/21/416331021.db2.gz YYJYBDALELZVOA-MFKMUULPSA-N 1 1 319.336 0.655 50 0 DCAAMO NC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000245237837 416331022 /nfs/dbraw/zinc/33/10/22/416331022.db2.gz YYJYBDALELZVOA-MFKMUULPSA-N 1 1 319.336 0.655 50 0 DCAAMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cc2ccsc2)CC1 ZINC000361448580 416437354 /nfs/dbraw/zinc/43/73/54/416437354.db2.gz AZPHZVNFWFLAPZ-UHFFFAOYSA-N 1 1 309.435 0.913 50 0 DCAAMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cc2ccsc2)CC1 ZINC000361448580 416437357 /nfs/dbraw/zinc/43/73/57/416437357.db2.gz AZPHZVNFWFLAPZ-UHFFFAOYSA-N 1 1 309.435 0.913 50 0 DCAAMO CN(c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1)C1CCOCC1 ZINC000426387311 416762238 /nfs/dbraw/zinc/76/22/38/416762238.db2.gz RHQCRXALCHQCRI-GFCCVEGCSA-N 1 1 322.409 1.000 50 0 DCAAMO CSCCCNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426552410 416775647 /nfs/dbraw/zinc/77/56/47/416775647.db2.gz XNDXWERZVINGDH-NSHDSACASA-N 1 1 324.450 1.326 50 0 DCAAMO CC(C)(C)SCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186678846 273500469 /nfs/dbraw/zinc/50/04/69/273500469.db2.gz JEOOWOIFVNLUQO-GFCCVEGCSA-N 1 1 313.467 0.941 50 0 DCAAMO CC[C@H](C)n1c2c(nc1N1CC[NH+](C)CC1)n(C)c(=O)[nH]c2=O ZINC000000237785 273746179 /nfs/dbraw/zinc/74/61/79/273746179.db2.gz ISBCDRWCQCZASP-JTQLQIEISA-N 1 1 320.397 0.146 50 0 biogenic DCAAMO COCC[NH+]1CCN(c2c3c(nc4ncnn42)CCC3)CC1 ZINC000022331423 274030255 /nfs/dbraw/zinc/03/02/55/274030255.db2.gz BTSKRFZXSHERMZ-UHFFFAOYSA-N 1 1 302.382 0.381 50 0 DCAAMO CNC(=O)NC(=O)C[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000095986387 277236159 /nfs/dbraw/zinc/23/61/59/277236159.db2.gz MGACQBNOYCHATH-CQSZACIVSA-N 1 1 304.394 0.869 50 0 DCAAMO Cc1ccc2ncn(CC[N@H+]3CCC[C@@H](C(N)=O)C3)c(=O)c2c1 ZINC000043058604 281171331 /nfs/dbraw/zinc/17/13/31/281171331.db2.gz XZGLPAKXCGDMJX-CYBMUJFWSA-N 1 1 314.389 0.902 50 0 DCAAMO Cn1cc([C@H]2C[C@H]2C(=O)N2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000069844768 302938912 /nfs/dbraw/zinc/93/89/12/302938912.db2.gz ZBRQCBHYTWMNIG-ZIAGYGMSSA-N 1 1 306.410 0.439 50 0 DCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000534582575 334289918 /nfs/dbraw/zinc/28/99/18/334289918.db2.gz DCCQQZHELLPLFO-RYUDHWBXSA-N 1 1 302.334 0.394 50 0 DCAAMO O=C(Cc1cccc(O)c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000888096931 661176016 /nfs/dbraw/zinc/17/60/16/661176016.db2.gz WHCSRBKQMWJOMX-AWEZNQCLSA-N 1 1 317.389 0.358 50 0 DCAAMO Cc1cc(=O)cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)[nH]1 ZINC000426667115 661688236 /nfs/dbraw/zinc/68/82/36/661688236.db2.gz QTDVIQVOOVALAR-GJZGRUSLSA-N 1 1 305.378 0.666 50 0 DCAAMO COc1cccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1O ZINC000863947757 667196917 /nfs/dbraw/zinc/19/69/17/667196917.db2.gz DZSUJIGRKFYXPM-YPMHNXCESA-N 1 1 307.394 0.765 50 0 DCAAMO C[NH+](C)CC(=O)Nc1cccc(NC(=O)CCn2cnnc2)c1 ZINC000952964825 685598109 /nfs/dbraw/zinc/59/81/09/685598109.db2.gz QPNMARDAMONGSW-UHFFFAOYSA-N 1 1 316.365 0.807 50 0 DCAAMO CC[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3ccc(C)cc3)CCN2C1=O ZINC000014732882 685049076 /nfs/dbraw/zinc/04/90/76/685049076.db2.gz VALGKODFWNGRHJ-LSDHHAIUSA-N 1 1 301.390 0.916 50 0 DCAAMO CC[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCN2C1=O ZINC000014732882 685049078 /nfs/dbraw/zinc/04/90/78/685049078.db2.gz VALGKODFWNGRHJ-LSDHHAIUSA-N 1 1 301.390 0.916 50 0 DCAAMO Cn1cc(-c2ccnc(NCC[N@H+]3CCC[C@H](CO)C3)n2)cn1 ZINC000063844453 685062681 /nfs/dbraw/zinc/06/26/81/685062681.db2.gz MMVCITYNAHBBPD-ZDUSSCGKSA-N 1 1 316.409 0.993 50 0 DCAAMO C[N@H+]1CCCC[C@H]1C(=O)N1CCCN(CCn2cnnc2)CC1 ZINC001772707827 1157845232 /nfs/dbraw/zinc/84/52/32/1157845232.db2.gz ZQIZSDKTABTZAO-HNNXBMFYSA-N 1 1 320.441 0.297 50 0 DCAAMO CN1C[C@H]2COC[C@@H]1C[N@@H+](Cc1cccc(OCCO)c1)C2 ZINC001704312954 1179969739 /nfs/dbraw/zinc/96/97/39/1179969739.db2.gz JHWUQNNFJGQMEO-CVEARBPZSA-N 1 1 306.406 0.820 50 0 DCAAMO C[N@@H+]1C[C@H]2COC[C@@H]1CN(Cc1cccc(OCCO)c1)C2 ZINC001704312954 1179969742 /nfs/dbraw/zinc/96/97/42/1179969742.db2.gz JHWUQNNFJGQMEO-CVEARBPZSA-N 1 1 306.406 0.820 50 0 DCAAMO C[N@H+]1C[C@H]2COC[C@@H]1CN(Cc1cccc(OCCO)c1)C2 ZINC001704312954 1179969748 /nfs/dbraw/zinc/96/97/48/1179969748.db2.gz JHWUQNNFJGQMEO-CVEARBPZSA-N 1 1 306.406 0.820 50 0 DCAAMO COc1cc(C(=O)N2C[C@H]3COC[C@@H]2C[N@@H+](C)C3)ccc1O ZINC001704325907 1179973241 /nfs/dbraw/zinc/97/32/41/1179973241.db2.gz NRJKJYGBILYWLP-AAEUAGOBSA-N 1 1 306.362 0.803 50 0 DCAAMO CC1(C)CCN(S(=O)(=O)N2C[C@@H]3[NH2+]CCO[C@H]3C2)CC1 ZINC000822299662 758190362 /nfs/dbraw/zinc/19/03/62/758190362.db2.gz UZCZJDFAGYUIQR-RYUDHWBXSA-N 1 1 303.428 0.026 50 0 DCAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc(CC(N)=O)nn1CC(C)(C)O ZINC000822718138 758204136 /nfs/dbraw/zinc/20/41/36/758204136.db2.gz SJFQKUVBXHDOLB-GFCCVEGCSA-N 1 1 323.441 0.841 50 0 DCAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc(CC(N)=O)nn1CC(C)(C)O ZINC000822718138 758204148 /nfs/dbraw/zinc/20/41/48/758204148.db2.gz SJFQKUVBXHDOLB-GFCCVEGCSA-N 1 1 323.441 0.841 50 0 DCAAMO CCC[N@H+]1CCC[C@@H](CNS(=O)(=O)N2CCN(C)CC2)C1 ZINC000822922717 758213883 /nfs/dbraw/zinc/21/38/83/758213883.db2.gz LVPCGJLTVYYVMT-AWEZNQCLSA-N 1 1 318.487 0.190 50 0 DCAAMO C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC000823806673 758269132 /nfs/dbraw/zinc/26/91/32/758269132.db2.gz CSOZZSWBCOCDHQ-OKILXGFUSA-N 1 1 302.378 0.489 50 0 DCAAMO CC[N@H+]1CCCN(S(=O)(=O)N2CCC(COC)CC2)CC1 ZINC000824372255 758771924 /nfs/dbraw/zinc/77/19/24/758771924.db2.gz QSWRTFKHUQAJIY-UHFFFAOYSA-N 1 1 319.471 0.617 50 0 DCAAMO CC[N@H+]1CC[C@@H](CNS(=O)(=O)N2CCC(COC)CC2)C1 ZINC000824372270 758772021 /nfs/dbraw/zinc/77/20/21/758772021.db2.gz SSJUFARPLRBQBJ-AWEZNQCLSA-N 1 1 319.471 0.521 50 0 DCAAMO Cn1cncc1C(=O)NCC1CCN(c2cc[nH+]c(N)n2)CC1 ZINC000827591841 758869623 /nfs/dbraw/zinc/86/96/23/758869623.db2.gz AQZWWWGEGQIZSB-UHFFFAOYSA-N 1 1 315.381 0.439 50 0 DCAAMO O=S1(=O)CC[C@H](CCN2CCC3(CC2)C[NH2+]CCO3)C1 ZINC000828394705 759002306 /nfs/dbraw/zinc/00/23/06/759002306.db2.gz ZYGKMOCBPJDHIR-ZDUSSCGKSA-N 1 1 302.440 0.266 50 0 DCAAMO O=C(c1ccccn1)N1CCC2(C[C@@H]3C(=O)NCC[N@@H+]3C2)CC1 ZINC000581811593 760253690 /nfs/dbraw/zinc/25/36/90/760253690.db2.gz SRBDXOCLYLGBRV-CQSZACIVSA-N 1 1 314.389 0.508 50 0 DCAAMO Cc1noc([C@H]2C[N@H+](C[C@H]3CCCCN(C)C3=O)CCN2C)n1 ZINC000585117437 766286390 /nfs/dbraw/zinc/28/63/90/766286390.db2.gz CMIKZBJLEPBZOJ-ZIAGYGMSSA-N 1 1 321.425 0.925 50 0 DCAAMO Cc1noc([C@@H]2C[N@H+](C[C@@H]3CCCCN(C)C3=O)CCN2C)n1 ZINC000585117434 766286690 /nfs/dbraw/zinc/28/66/90/766286690.db2.gz CMIKZBJLEPBZOJ-KBPBESRZSA-N 1 1 321.425 0.925 50 0 DCAAMO COCCN1C[C@@H](CNc2cc(N)nc(SC)[nH+]2)CC1=O ZINC001506426448 1017269334 /nfs/dbraw/zinc/26/93/34/1017269334.db2.gz HCGZDCSVRPDUBX-SECBINFHSA-N 1 1 311.411 0.688 50 0 DCAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000074659041 185006424 /nfs/dbraw/zinc/00/64/24/185006424.db2.gz DWMCVOVIDGSMER-CABCVRRESA-N 1 1 312.458 0.690 50 0 DCAAMO Cc1nc(CCNC(=O)[C@H]2CCC[N@H+](C(C)C)C2)cc(=O)[nH]1 ZINC000095525125 185378029 /nfs/dbraw/zinc/37/80/29/185378029.db2.gz OFGNQNWOYAUWAX-ZDUSSCGKSA-N 1 1 306.410 0.857 50 0 DCAAMO C[C@H](Cc1nc2c([nH]1)C(=O)NCC(C)(C)C2)[NH+]1CCN(C)CC1 ZINC000095528501 185378571 /nfs/dbraw/zinc/37/85/71/185378571.db2.gz AUFMWXMYGQYITA-GFCCVEGCSA-N 1 1 319.453 0.900 50 0 DCAAMO NS(=O)(=O)CC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000089991717 185275402 /nfs/dbraw/zinc/27/54/02/185275402.db2.gz CNCWRNQNJBMIPR-CQSZACIVSA-N 1 1 316.398 0.860 50 0 DCAAMO COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1nc(N)[nH+]cc1C)C2 ZINC000095392048 185351806 /nfs/dbraw/zinc/35/18/06/185351806.db2.gz ZNXUZOTXZQHGPE-NWDGAFQWSA-N 1 1 305.382 0.441 50 0 DCAAMO C[NH+]1CCN(C2=N[C@@H](CC(=O)Nc3ccccc3)C(=O)N2)CC1 ZINC000013693027 190638257 /nfs/dbraw/zinc/63/82/57/190638257.db2.gz XRMWAEQEVILFBK-ZDUSSCGKSA-N 1 1 315.377 0.117 50 0 DCAAMO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1ccnc1S(C)(=O)=O ZINC000095438710 185365643 /nfs/dbraw/zinc/36/56/43/185365643.db2.gz OAULYRQAMGUYGU-AWEZNQCLSA-N 1 1 323.418 0.780 50 0 DCAAMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1ccnc1S(C)(=O)=O ZINC000095438710 185365644 /nfs/dbraw/zinc/36/56/44/185365644.db2.gz OAULYRQAMGUYGU-AWEZNQCLSA-N 1 1 323.418 0.780 50 0 DCAAMO COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2CC(N)=O)cc(OC)c1 ZINC000095466748 185371854 /nfs/dbraw/zinc/37/18/54/185371854.db2.gz PSVVVDJSFHMLGV-GFCCVEGCSA-N 1 1 321.377 0.982 50 0 DCAAMO Cc1nccc(C(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)n1 ZINC000069894550 190834319 /nfs/dbraw/zinc/83/43/19/190834319.db2.gz XJZGTESOCHZFFL-AWEZNQCLSA-N 1 1 306.410 0.950 50 0 DCAAMO CC(=O)c1ccc(N2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)nc1 ZINC000071746926 191020889 /nfs/dbraw/zinc/02/08/89/191020889.db2.gz KNXLGQYNOLMRHW-HZPDHXFCSA-N 1 1 318.421 0.471 50 0 DCAAMO C[NH+]1CCN([C@H]2CN(c3ccc4cc[nH]c4n3)C[C@@H]2O)CC1 ZINC000072136985 191046256 /nfs/dbraw/zinc/04/62/56/191046256.db2.gz XACUNHPCXMYXRQ-KBPBESRZSA-N 1 1 301.394 0.360 50 0 DCAAMO OCC(CO)[N@H+]1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072133832 191046797 /nfs/dbraw/zinc/04/67/97/191046797.db2.gz RWLBJDNMRCSZFQ-RCCFBDPRSA-N 1 1 318.417 0.607 50 0 DCAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000072135197 191046972 /nfs/dbraw/zinc/04/69/72/191046972.db2.gz XDOMJRNOCASDMO-OAHLLOKOSA-N 1 1 306.366 0.937 50 0 DCAAMO Cc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)[nH]n1 ZINC000072154991 191058552 /nfs/dbraw/zinc/05/85/52/191058552.db2.gz BGHVHNHPEORKQM-AWEZNQCLSA-N 1 1 319.409 0.467 50 0 DCAAMO Cc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)n[nH]1 ZINC000072154991 191058557 /nfs/dbraw/zinc/05/85/57/191058557.db2.gz BGHVHNHPEORKQM-AWEZNQCLSA-N 1 1 319.409 0.467 50 0 DCAAMO Cc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)n[nH]1 ZINC000072154991 191058559 /nfs/dbraw/zinc/05/85/59/191058559.db2.gz BGHVHNHPEORKQM-AWEZNQCLSA-N 1 1 319.409 0.467 50 0 DCAAMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000072632817 191206244 /nfs/dbraw/zinc/20/62/44/191206244.db2.gz CYWTXWYVHJXHPU-AWEZNQCLSA-N 1 1 310.419 0.917 50 0 DCAAMO CCNC(=O)c1ccc(N2C[C@H](CO)[C@H](C[N@@H+](C)CC)C2)nc1 ZINC000091452217 193058357 /nfs/dbraw/zinc/05/83/57/193058357.db2.gz JKYAAXVOVUTKER-HUUCEWRRSA-N 1 1 320.437 0.828 50 0 DCAAMO Cc1nc(C)c(CNC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)s1 ZINC000091595001 193077568 /nfs/dbraw/zinc/07/75/68/193077568.db2.gz OKFIMNDXQIRFIF-NSHDSACASA-N 1 1 310.423 0.573 50 0 DCAAMO CCn1cnnc1C[N@@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000091746304 193101625 /nfs/dbraw/zinc/10/16/25/193101625.db2.gz RUKQBLOHXMEXQT-OAHLLOKOSA-N 1 1 307.398 0.105 50 0 DCAAMO CCn1cnnc1C[N@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000091746304 193101626 /nfs/dbraw/zinc/10/16/26/193101626.db2.gz RUKQBLOHXMEXQT-OAHLLOKOSA-N 1 1 307.398 0.105 50 0 DCAAMO CCN1CC[C@]2(CN(c3nccc(N)n3)CC[N@H+]2C)CCC1=O ZINC000091624916 193080560 /nfs/dbraw/zinc/08/05/60/193080560.db2.gz DXRULYRMQNGNRM-INIZCTEOSA-N 1 1 318.425 0.582 50 0 DCAAMO COCCNC(=O)CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000023256529 182354215 /nfs/dbraw/zinc/35/42/15/182354215.db2.gz QESPBLOBDNVIMU-MRXNPFEDSA-N 1 1 321.421 0.100 50 0 DCAAMO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000040528016 183093490 /nfs/dbraw/zinc/09/34/90/183093490.db2.gz JOGMRGBHJOEKIP-CQSZACIVSA-N 1 1 320.418 0.973 50 0 DCAAMO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000040528016 183093491 /nfs/dbraw/zinc/09/34/91/183093491.db2.gz JOGMRGBHJOEKIP-CQSZACIVSA-N 1 1 320.418 0.973 50 0 DCAAMO C[C@H](CNS(=O)(=O)N1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000106072681 194184568 /nfs/dbraw/zinc/18/45/68/194184568.db2.gz XVIYCIQMWXWQAD-QWHCGFSZSA-N 1 1 305.444 0.273 50 0 DCAAMO CC[C@@H]1CN(C(=O)C[NH+]2CCC(N3CCNC3=O)CC2)CCO1 ZINC000064953460 184306985 /nfs/dbraw/zinc/30/69/85/184306985.db2.gz LYHDVMZQBGASPF-CQSZACIVSA-N 1 1 324.425 0.113 50 0 DCAAMO C[NH+]1CCN(C(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)CC1 ZINC000065210552 184314607 /nfs/dbraw/zinc/31/46/07/184314607.db2.gz PLBNJDZVMQYWPJ-UHFFFAOYSA-N 1 1 323.418 0.396 50 0 DCAAMO C[C@H]1CCC[N@H+](CCNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000065452734 184347027 /nfs/dbraw/zinc/34/70/27/184347027.db2.gz DAGPKPPAOKQKHL-QWHCGFSZSA-N 1 1 317.455 0.547 50 0 DCAAMO C[C@H]1CCC[N@@H+](CCNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000065452734 184347028 /nfs/dbraw/zinc/34/70/28/184347028.db2.gz DAGPKPPAOKQKHL-QWHCGFSZSA-N 1 1 317.455 0.547 50 0 DCAAMO CC(C)[N@@H+](C)CC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000065604661 184371659 /nfs/dbraw/zinc/37/16/59/184371659.db2.gz FBGPKDYMGZRVIA-UHFFFAOYSA-N 1 1 321.425 0.481 50 0 DCAAMO COCc1cc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)n[nH]1 ZINC000222884096 257274314 /nfs/dbraw/zinc/27/43/14/257274314.db2.gz PCDYWYSUENLIFH-UHFFFAOYSA-N 1 1 303.370 0.745 50 0 DCAAMO O=C(c1ccccc1)N1CCC(N[C@H]2C[NH2+]CC[C@H]2O)CC1 ZINC000426690534 257244228 /nfs/dbraw/zinc/24/42/28/257244228.db2.gz GAISMWGDUUJWCZ-JKSUJKDBSA-N 1 1 303.406 0.604 50 0 DCAAMO C[N@H+]1CCCC[C@@H]1CC(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426550710 257246893 /nfs/dbraw/zinc/24/68/93/257246893.db2.gz YYMPZIVGBANGEH-LLVKDONJSA-N 1 1 315.381 0.752 50 0 DCAAMO OCCNc1nc(NCC2CCOCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426412310 257251048 /nfs/dbraw/zinc/25/10/48/257251048.db2.gz AKQHOGCAIKIURI-ZDUSSCGKSA-N 1 1 322.409 0.067 50 0 DCAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)N1CCCO1 ZINC000011841350 395686843 /nfs/dbraw/zinc/68/68/43/395686843.db2.gz VXXDYTQTAQOPFR-AWEZNQCLSA-N 1 1 309.410 0.921 50 0 DCAAMO OCC[NH+]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000023053344 395692225 /nfs/dbraw/zinc/69/22/25/395692225.db2.gz QWBPELPSLADVMZ-UHFFFAOYSA-N 1 1 316.287 0.257 50 0 DCAAMO COc1ccc(/C=C/C(=O)NN2CC[NH+](C)CC2)cc1OC ZINC000002755466 395681847 /nfs/dbraw/zinc/68/18/47/395681847.db2.gz AKUJTGQYQLBWJR-FNORWQNLSA-N 1 1 305.378 0.996 50 0 DCAAMO O=C(CC[N@@H+]1CCC[C@@H](O)C1)NC(=O)NCc1ccccc1 ZINC000029926180 395700905 /nfs/dbraw/zinc/70/09/05/395700905.db2.gz PFZLCECLXXPONT-CQSZACIVSA-N 1 1 305.378 0.859 50 0 DCAAMO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](CC)C2)c(=O)[nH]c1=O ZINC000030142847 395701926 /nfs/dbraw/zinc/70/19/26/395701926.db2.gz KRZBKCXAMDTACM-LLVKDONJSA-N 1 1 322.409 0.834 50 0 DCAAMO CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](CC)C2)c(=O)[nH]c1=O ZINC000030142847 395701927 /nfs/dbraw/zinc/70/19/27/395701927.db2.gz KRZBKCXAMDTACM-LLVKDONJSA-N 1 1 322.409 0.834 50 0 DCAAMO CC[C@H](Oc1ccccc1)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000032908372 395714079 /nfs/dbraw/zinc/71/40/79/395714079.db2.gz IBCFMLPTIIDXQC-HNNXBMFYSA-N 1 1 319.405 0.910 50 0 DCAAMO Cn1c(C[N@@H+](C)CCCOc2ccccc2)cc(=O)n(C)c1=O ZINC000032913825 395714357 /nfs/dbraw/zinc/71/43/57/395714357.db2.gz NXXJGEBMKZSFFA-UHFFFAOYSA-N 1 1 317.389 0.985 50 0 DCAAMO COc1cccc(N2CC[NH+](CCN3C(=O)CCC3=O)CC2)c1 ZINC000026921193 395694695 /nfs/dbraw/zinc/69/46/95/395694695.db2.gz GYHKVOJIUUDHCF-UHFFFAOYSA-N 1 1 317.389 0.966 50 0 DCAAMO Cc1nc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)s1 ZINC000097759237 395760457 /nfs/dbraw/zinc/76/04/57/395760457.db2.gz 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CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)Cn2ccnc2)C1 ZINC000048364940 395814038 /nfs/dbraw/zinc/81/40/38/395814038.db2.gz QYKLIZKZMGNNHW-GJZGRUSLSA-N 1 1 323.441 0.928 50 0 DCAAMO C[C@H](CCC(=O)N(C)Cc1cnccn1)N1CC[NH+](C)CC1 ZINC000220171531 395848084 /nfs/dbraw/zinc/84/80/84/395848084.db2.gz JXFCQRNYZYLWST-CQSZACIVSA-N 1 1 305.426 0.851 50 0 DCAAMO O=C(C[NH+]1CCC(O)CC1)N1CCN(Cc2ccsc2)CC1 ZINC000051590535 395851946 /nfs/dbraw/zinc/85/19/46/395851946.db2.gz OIKAAJCJJXHTGR-UHFFFAOYSA-N 1 1 323.462 0.849 50 0 DCAAMO CC(=O)N[C@H](C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000109027496 395796337 /nfs/dbraw/zinc/79/63/37/395796337.db2.gz TUYOCKFILANZFW-JLNYLFASSA-N 1 1 313.442 0.761 50 0 DCAAMO Cc1cccc2c(=O)n(CCC(=O)N3CC[NH+](C)CC3)cnc12 ZINC000054455505 395899624 /nfs/dbraw/zinc/89/96/24/395899624.db2.gz PHTRAEWFIRNVFW-UHFFFAOYSA-N 1 1 314.389 0.869 50 0 DCAAMO Cc1noc(C2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)CC2)n1 ZINC000054677970 395904354 /nfs/dbraw/zinc/90/43/54/395904354.db2.gz 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ZINC000065455334 395994526 /nfs/dbraw/zinc/99/45/26/395994526.db2.gz SEYIJLMLRVPWGB-SNVBAGLBSA-N 1 1 321.410 0.760 50 0 DCAAMO CC[N@H+]1CC[C@H]2[C@H](C1)OCCN2C(=O)CCOCC(F)F ZINC000252510192 396022307 /nfs/dbraw/zinc/02/23/07/396022307.db2.gz ZDIYFXSVQWQYBN-RYUDHWBXSA-N 1 1 306.353 0.980 50 0 DCAAMO O=C(c1ccc(Cl)cn1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067805436 396033958 /nfs/dbraw/zinc/03/39/58/396033958.db2.gz NHSNIXBYXRLHCY-UHFFFAOYSA-N 1 1 308.769 0.429 50 0 DCAAMO CC[C@H]1CN(C(=O)c2cc(CN3CCOCC3)on2)CC[N@@H+]1C ZINC000067843040 396036438 /nfs/dbraw/zinc/03/64/38/396036438.db2.gz JNWVZICKBLELMY-ZDUSSCGKSA-N 1 1 322.409 0.673 50 0 DCAAMO CC[C@H]1CN(C(=O)c2cc(CN3CCOCC3)on2)CC[N@H+]1C ZINC000067843040 396036441 /nfs/dbraw/zinc/03/64/41/396036441.db2.gz JNWVZICKBLELMY-ZDUSSCGKSA-N 1 1 322.409 0.673 50 0 DCAAMO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)c1ncn[nH]1 ZINC000067872966 396037230 /nfs/dbraw/zinc/03/72/30/396037230.db2.gz XBRPSMROJKPVAZ-UHFFFAOYSA-N 1 1 301.350 0.905 50 0 DCAAMO C[C@@H]1COCCN1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000257365504 396046846 /nfs/dbraw/zinc/04/68/46/396046846.db2.gz GJMNGNZVQPOBDA-JHJVBQTASA-N 1 1 303.428 0.120 50 0 DCAAMO C[C@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)[N@@H+](C)C1CC1 ZINC000068216965 396050100 /nfs/dbraw/zinc/05/01/00/396050100.db2.gz AJFPODRJUNZOOR-GFCCVEGCSA-N 1 1 321.425 0.370 50 0 DCAAMO C[N@@H+](CC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)C1CC1 ZINC000252490481 396020697 /nfs/dbraw/zinc/02/06/97/396020697.db2.gz KUULQHSGBLFPIF-UHFFFAOYSA-N 1 1 321.343 0.998 50 0 DCAAMO C[NH+]1CCN(C(=O)C[C@@H]2NC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252494367 396021079 /nfs/dbraw/zinc/02/10/79/396021079.db2.gz NTVCZQLEZBGHLS-ZDUSSCGKSA-N 1 1 316.361 0.480 50 0 DCAAMO CCOCC[NH+]1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069844785 396091901 /nfs/dbraw/zinc/09/19/01/396091901.db2.gz VFPCFBHBPLHMQV-LLVKDONJSA-N 1 1 311.348 0.708 50 0 DCAAMO COCCOc1ccccc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000069876133 396093993 /nfs/dbraw/zinc/09/39/93/396093993.db2.gz IYAIAZWWWMLTKM-AWEZNQCLSA-N 1 1 322.405 0.850 50 0 DCAAMO C[N@H+](CCCS(C)(=O)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000069917423 396094452 /nfs/dbraw/zinc/09/44/52/396094452.db2.gz YONGPBPBTLLVNT-ZDUSSCGKSA-N 1 1 312.439 0.812 50 0 DCAAMO C[N@@H+](CCCS(C)(=O)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000069917423 396094456 /nfs/dbraw/zinc/09/44/56/396094456.db2.gz YONGPBPBTLLVNT-ZDUSSCGKSA-N 1 1 312.439 0.812 50 0 DCAAMO COc1ccc(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000070040985 396098748 /nfs/dbraw/zinc/09/87/48/396098748.db2.gz XQJCODUAMSKDLU-GFCCVEGCSA-N 1 1 310.369 0.902 50 0 DCAAMO CCCC[N@@H+](CCO)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000070947740 396106715 /nfs/dbraw/zinc/10/67/15/396106715.db2.gz YMSVUUJWMMLTKN-UHFFFAOYSA-N 1 1 315.458 0.308 50 0 DCAAMO CC(=O)Nc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000071315035 396112334 /nfs/dbraw/zinc/11/23/34/396112334.db2.gz GAFWMOOMJJGTLQ-GFCCVEGCSA-N 1 1 318.377 0.781 50 0 DCAAMO CC(=O)Nc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000071315035 396112335 /nfs/dbraw/zinc/11/23/35/396112335.db2.gz GAFWMOOMJJGTLQ-GFCCVEGCSA-N 1 1 318.377 0.781 50 0 DCAAMO Cn1c(C[N@H+](C)CC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000071828125 396116798 /nfs/dbraw/zinc/11/67/98/396116798.db2.gz ZQHXRNMDGGWPSJ-UHFFFAOYSA-N 1 1 319.409 0.972 50 0 DCAAMO Cn1c(C[N@@H+](C)CC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000071828125 396116803 /nfs/dbraw/zinc/11/68/03/396116803.db2.gz ZQHXRNMDGGWPSJ-UHFFFAOYSA-N 1 1 319.409 0.972 50 0 DCAAMO C[N@H+](CC(=O)NC1CCN(CC(N)=O)CC1)Cc1ccccc1 ZINC000071841322 396118476 /nfs/dbraw/zinc/11/84/76/396118476.db2.gz JNJMPFBRADQCET-UHFFFAOYSA-N 1 1 318.421 0.184 50 0 DCAAMO C[N@@H+](CC(=O)NC1CCN(CC(N)=O)CC1)Cc1ccccc1 ZINC000071841322 396118479 /nfs/dbraw/zinc/11/84/79/396118479.db2.gz JNJMPFBRADQCET-UHFFFAOYSA-N 1 1 318.421 0.184 50 0 DCAAMO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)N1CCOCC1)C2 ZINC000071871971 396120120 /nfs/dbraw/zinc/12/01/20/396120120.db2.gz WQRVASXGWATSHA-UHFFFAOYSA-N 1 1 307.398 0.466 50 0 DCAAMO CC(C)c1nnc2n1CC[N@H+](CCC(=O)N1CCOCC1)C2 ZINC000071871971 396120121 /nfs/dbraw/zinc/12/01/21/396120121.db2.gz WQRVASXGWATSHA-UHFFFAOYSA-N 1 1 307.398 0.466 50 0 DCAAMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000071871012 396120354 /nfs/dbraw/zinc/12/03/54/396120354.db2.gz LEWSXQQCWLPAEY-ZDUSSCGKSA-N 1 1 320.389 0.525 50 0 DCAAMO C[N@H+](CC(=O)N1CCOCC1)C[C@H]1CCCN1c1cccnn1 ZINC000072279448 396129138 /nfs/dbraw/zinc/12/91/38/396129138.db2.gz MYVZMYIUEVFUOG-CQSZACIVSA-N 1 1 319.409 0.236 50 0 DCAAMO C[C@]1([C@@H]2CCC[N@@H+](CC(=O)NCC3CCC3)C2)NC(=O)NC1=O ZINC000072300681 396130693 /nfs/dbraw/zinc/13/06/93/396130693.db2.gz MOFZTVBUWLTVPQ-MLGOLLRUSA-N 1 1 322.409 0.213 50 0 DCAAMO Nc1ncc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)s1 ZINC000261885198 396076028 /nfs/dbraw/zinc/07/60/28/396076028.db2.gz RUOSZIDGTPLQCW-NSHDSACASA-N 1 1 310.423 0.796 50 0 DCAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCOC3)CC2)cn1 ZINC000069459872 396079657 /nfs/dbraw/zinc/07/96/57/396079657.db2.gz PGSNCXPCZRJHPQ-OAHLLOKOSA-N 1 1 306.410 0.974 50 0 DCAAMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCOC3)CC2)cn1 ZINC000069459872 396079660 /nfs/dbraw/zinc/07/96/60/396079660.db2.gz PGSNCXPCZRJHPQ-OAHLLOKOSA-N 1 1 306.410 0.974 50 0 DCAAMO Cn1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cn1 ZINC000069620170 396084855 /nfs/dbraw/zinc/08/48/55/396084855.db2.gz ALNJXDMZEDWIBV-KGLIPLIRSA-N 1 1 312.439 0.161 50 0 DCAAMO Cc1nc(CN2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)no1 ZINC000075130860 396176605 /nfs/dbraw/zinc/17/66/05/396176605.db2.gz CHKVOUAYIUHYFR-ZDUSSCGKSA-N 1 1 305.386 0.566 50 0 DCAAMO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000078656582 396251445 /nfs/dbraw/zinc/25/14/45/396251445.db2.gz HUOILLCLKWMBKD-LLVKDONJSA-N 1 1 318.830 0.740 50 0 DCAAMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000078656582 396251449 /nfs/dbraw/zinc/25/14/49/396251449.db2.gz HUOILLCLKWMBKD-LLVKDONJSA-N 1 1 318.830 0.740 50 0 DCAAMO CC(C)C[N@H+]1CCN(C(=O)CCc2cn[nH]c2)C[C@@H]1CCO ZINC000584885478 396632276 /nfs/dbraw/zinc/63/22/76/396632276.db2.gz IWYBSLJVNPYFIG-HNNXBMFYSA-N 1 1 308.426 0.894 50 0 DCAAMO Cc1n[nH]c(CCC(=O)N2CC[NH+](CCCCO)CC2)c1C ZINC000584884905 396632283 /nfs/dbraw/zinc/63/22/83/396632283.db2.gz KUVFLUOETIJMJL-UHFFFAOYSA-N 1 1 308.426 0.876 50 0 DCAAMO CS(=O)(=O)NCC(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000584892327 396634240 /nfs/dbraw/zinc/63/42/40/396634240.db2.gz SMTRUNFKWVIYKC-UHFFFAOYSA-N 1 1 317.455 0.403 50 0 DCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cnn2ccn(C)c12 ZINC000584899250 396636492 /nfs/dbraw/zinc/63/64/92/396636492.db2.gz LIVHFIWOHZKIMO-STQMWFEESA-N 1 1 305.382 0.510 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)N[C@@H]2COc3ccccc3C2)CC1 ZINC000584899061 396636646 /nfs/dbraw/zinc/63/66/46/396636646.db2.gz RWGRXOXMODQHNI-HNNXBMFYSA-N 1 1 303.406 0.744 50 0 DCAAMO CC(C)OC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000585136542 396641223 /nfs/dbraw/zinc/64/12/23/396641223.db2.gz KCHRCXOXPDSIPJ-LSDHHAIUSA-N 1 1 324.425 0.400 50 0 DCAAMO CNc1cc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)[nH+]c(C)n1 ZINC000585139221 396641593 /nfs/dbraw/zinc/64/15/93/396641593.db2.gz DUPTVUMSIYMYIP-SWLSCSKDSA-N 1 1 319.409 0.934 50 0 DCAAMO CC1=[NH+]N(C(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000004316638 415129231 /nfs/dbraw/zinc/12/92/31/415129231.db2.gz NMMJVUUULIYIBO-SECBINFHSA-N 1 1 304.354 0.599 50 0 DCAAMO Cc1noc(CCCC(=O)NCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000044939682 415234382 /nfs/dbraw/zinc/23/43/82/415234382.db2.gz KYTQMWWWCPAKOL-TXEJJXNPSA-N 1 1 310.398 0.926 50 0 DCAAMO Cc1noc(CCCC(=O)NCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000044939682 415234388 /nfs/dbraw/zinc/23/43/88/415234388.db2.gz KYTQMWWWCPAKOL-TXEJJXNPSA-N 1 1 310.398 0.926 50 0 DCAAMO O=C(NCc1ccoc1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000044967823 415237994 /nfs/dbraw/zinc/23/79/94/415237994.db2.gz HTVQNXXMENSRCR-CABCVRRESA-N 1 1 323.393 0.816 50 0 DCAAMO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCCNC1=O)c1ccco1 ZINC000044966376 415240134 /nfs/dbraw/zinc/24/01/34/415240134.db2.gz RFNZTACVRQWSSX-NWDGAFQWSA-N 1 1 308.382 0.850 50 0 DCAAMO C[N@@H+]1CCN(C(=O)C2=NNC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000065608187 415357880 /nfs/dbraw/zinc/35/78/80/415357880.db2.gz KXPNMLXKIQECHT-AWEZNQCLSA-N 1 1 300.362 0.768 50 0 DCAAMO C[N@H+]1CCN(C(=O)C2=NNC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000065608187 415357889 /nfs/dbraw/zinc/35/78/89/415357889.db2.gz KXPNMLXKIQECHT-AWEZNQCLSA-N 1 1 300.362 0.768 50 0 DCAAMO C[N@H+]1CCC[C@@H](C(=O)NCc2cc(N3CCOCC3)ncn2)C1 ZINC000072436101 415416243 /nfs/dbraw/zinc/41/62/43/415416243.db2.gz VAVKTVUIWUHARI-CYBMUJFWSA-N 1 1 319.409 0.271 50 0 DCAAMO CCCC[N@H+](CCN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000066559268 415360623 /nfs/dbraw/zinc/36/06/23/415360623.db2.gz VMRNCLKWZNEULG-ZDUSSCGKSA-N 1 1 302.440 0.898 50 0 DCAAMO CCCC[N@@H+](CCN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000066559268 415360630 /nfs/dbraw/zinc/36/06/30/415360630.db2.gz VMRNCLKWZNEULG-ZDUSSCGKSA-N 1 1 302.440 0.898 50 0 DCAAMO C[N@H+]1CC[C@](C)(CNC(=O)c2cc(CN3CCOCC3)on2)C1 ZINC000067563070 415380854 /nfs/dbraw/zinc/38/08/54/415380854.db2.gz MWLHCTZQWULJDB-MRXNPFEDSA-N 1 1 322.409 0.578 50 0 DCAAMO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(=O)[nH]1 ZINC000075118568 415436656 /nfs/dbraw/zinc/43/66/56/415436656.db2.gz IGGKDWRTNACFIJ-CYBMUJFWSA-N 1 1 307.394 0.770 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1 ZINC000075606106 415449904 /nfs/dbraw/zinc/44/99/04/415449904.db2.gz KCFYWGHHRKZYLD-AWEZNQCLSA-N 1 1 317.393 0.566 50 0 DCAAMO CN1c2ccccc2C2(CCN(C[C@@]3(O)CC[NH2+]C3)CC2)C1=O ZINC000077486615 415462229 /nfs/dbraw/zinc/46/22/29/415462229.db2.gz AWTSNOSIYRFZRI-QGZVFWFLSA-N 1 1 315.417 0.721 50 0 DCAAMO COCCOc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000088059713 415514846 /nfs/dbraw/zinc/51/48/46/415514846.db2.gz LPVKSKAHOFVDGJ-GFCCVEGCSA-N 1 1 314.407 0.694 50 0 DCAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000089938526 415525889 /nfs/dbraw/zinc/52/58/89/415525889.db2.gz WTNUODSZEGONNW-GFCCVEGCSA-N 1 1 302.378 0.992 50 0 DCAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000089938526 415525895 /nfs/dbraw/zinc/52/58/95/415525895.db2.gz WTNUODSZEGONNW-GFCCVEGCSA-N 1 1 302.378 0.992 50 0 DCAAMO COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)cc1 ZINC000091952244 415539916 /nfs/dbraw/zinc/53/99/16/415539916.db2.gz NONTWFPYXUBHDP-HUUCEWRRSA-N 1 1 322.405 0.300 50 0 DCAAMO O=C(NCCN1CCNC1=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095362916 415551596 /nfs/dbraw/zinc/55/15/96/415551596.db2.gz HNRDVFYECYECQI-CYBMUJFWSA-N 1 1 320.393 0.633 50 0 DCAAMO Cc1nc[nH]c1CN1C[C@H](CO)[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095377258 415558648 /nfs/dbraw/zinc/55/86/48/415558648.db2.gz JKZLUVJEBHNZPA-OCVGTWLNSA-N 1 1 322.453 0.868 50 0 DCAAMO Cc1nc[nH]c1C[N@@H+]1C[C@H](CO)[C@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095377258 415558654 /nfs/dbraw/zinc/55/86/54/415558654.db2.gz JKZLUVJEBHNZPA-OCVGTWLNSA-N 1 1 322.453 0.868 50 0 DCAAMO Cc1nc[nH]c1C[N@H+]1C[C@H](CO)[C@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095377258 415558663 /nfs/dbraw/zinc/55/86/63/415558663.db2.gz JKZLUVJEBHNZPA-OCVGTWLNSA-N 1 1 322.453 0.868 50 0 DCAAMO CC[NH+]1CCN(C[C@@H]2CN(Cc3ncc[nH]3)C[C@@H]2CO)CC1 ZINC000095382217 415559852 /nfs/dbraw/zinc/55/98/52/415559852.db2.gz HSQLMGZOWJDEQG-HUUCEWRRSA-N 1 1 307.442 0.088 50 0 DCAAMO COC(=O)CCNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106581314 415642811 /nfs/dbraw/zinc/64/28/11/415642811.db2.gz DAXIFEUULGYKDC-MBNYWOFBSA-N 1 1 300.399 0.800 50 0 DCAAMO COC(=O)CCNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106581314 415642818 /nfs/dbraw/zinc/64/28/18/415642818.db2.gz DAXIFEUULGYKDC-MBNYWOFBSA-N 1 1 300.399 0.800 50 0 DCAAMO O=C(CC1Cc2ccccc2C1)N1CC[N@H+](CCO)C[C@H](O)C1 ZINC000097117561 415587792 /nfs/dbraw/zinc/58/77/92/415587792.db2.gz XQDGZLFPHQOTKA-KRWDZBQOSA-N 1 1 318.417 0.289 50 0 DCAAMO COCCC1(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCC1 ZINC000107363208 415666446 /nfs/dbraw/zinc/66/64/46/415666446.db2.gz PONKMZMAPMYMKW-AWEZNQCLSA-N 1 1 312.458 0.738 50 0 DCAAMO CO[C@]12CC[N@@H+](CCn3c(=O)cc(C)[nH]c3=O)[C@H]1C[C@@H](O)CC2 ZINC000299760911 416064871 /nfs/dbraw/zinc/06/48/71/416064871.db2.gz RYDRLPZJGPHWBF-HEHGZKQESA-N 1 1 323.393 0.262 50 0 DCAAMO CNc1ncc(C(=O)NC2CC[NH+](CCN(C)C)CC2)cn1 ZINC000299780568 416068425 /nfs/dbraw/zinc/06/84/25/416068425.db2.gz QNWHQGSJXJZDAD-UHFFFAOYSA-N 1 1 306.414 0.274 50 0 DCAAMO O=C(NC(CO)CO)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299802110 416072045 /nfs/dbraw/zinc/07/20/45/416072045.db2.gz WWOBDFIAFSAALD-XHSDSOJGSA-N 1 1 304.390 0.681 50 0 DCAAMO COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000239882226 416329900 /nfs/dbraw/zinc/32/99/00/416329900.db2.gz DAOZRIMHJKOTOH-JGVFFNPUSA-N 1 1 319.408 0.349 50 0 DCAAMO CCCCNC(=O)[C@H](C)N1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000583652272 416482381 /nfs/dbraw/zinc/48/23/81/416482381.db2.gz DIWPSQKXRHLTRK-LBPRGKRZSA-N 1 1 308.430 0.536 50 0 DCAAMO Cc1nc(N)sc1CC(=O)N1CC[NH+](CCCCO)CC1 ZINC000584889739 416516196 /nfs/dbraw/zinc/51/61/96/416516196.db2.gz PTFHSSNCLMPQRC-UHFFFAOYSA-N 1 1 312.439 0.493 50 0 DCAAMO C[N@@H+](Cc1ccc(OCC(N)=O)c(Cl)c1)[C@H]1COC[C@@H]1O ZINC000215749469 545937973 /nfs/dbraw/zinc/93/79/73/545937973.db2.gz NGHPMOVBJJGRPF-RYUDHWBXSA-N 1 1 314.769 0.396 50 0 DCAAMO O[C@H]1CN(c2ncnc3nc[nH]c32)CC[N@@H+](Cc2ccco2)C1 ZINC000097213187 275054475 /nfs/dbraw/zinc/05/44/75/275054475.db2.gz IPFZKMHFECTRMR-LLVKDONJSA-N 1 1 314.349 0.629 50 0 DCAAMO C[C@H](C(=O)NCC(F)(F)F)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000106908701 298147303 /nfs/dbraw/zinc/14/73/03/298147303.db2.gz ZLIBFPUUMJCMMN-GARJFASQSA-N 1 1 311.348 0.440 50 0 DCAAMO CC[NH+]1CCN(C(=O)N[C@H](C)c2nncn2CCCOC)CC1 ZINC000534591430 334294504 /nfs/dbraw/zinc/29/45/04/334294504.db2.gz JKIQLZXOGBMWSG-CYBMUJFWSA-N 1 1 324.429 0.723 50 0 DCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccccc1-n1cccn1 ZINC000534674647 334322058 /nfs/dbraw/zinc/32/20/58/334322058.db2.gz PLLPYQINJLABEW-ZFWWWQNUSA-N 1 1 300.362 0.931 50 0 DCAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000084281161 545700218 /nfs/dbraw/zinc/70/02/18/545700218.db2.gz KGVVBQMNSPPDQG-CYBMUJFWSA-N 1 1 323.397 0.279 50 0 DCAAMO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000084281159 545701093 /nfs/dbraw/zinc/70/10/93/545701093.db2.gz WMTVPLRXZDWKPT-KBPBESRZSA-N 1 1 308.382 0.980 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC000670442495 547092641 /nfs/dbraw/zinc/09/26/41/547092641.db2.gz BVLFIXDRRHFQIN-GFCCVEGCSA-N 1 1 322.409 0.356 50 0 DCAAMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC000670474332 547102602 /nfs/dbraw/zinc/10/26/02/547102602.db2.gz IKSXGVGIYBIRLK-AWEZNQCLSA-N 1 1 311.426 0.426 50 0 DCAAMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC000670474332 547102604 /nfs/dbraw/zinc/10/26/04/547102604.db2.gz IKSXGVGIYBIRLK-AWEZNQCLSA-N 1 1 311.426 0.426 50 0 DCAAMO Cc1nc(C)n(CCCNC(=O)[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000426647858 661687400 /nfs/dbraw/zinc/68/74/00/661687400.db2.gz BROJFJZZJIGKIB-LBPRGKRZSA-N 1 1 308.430 0.037 50 0 DCAAMO CC(C)[NH+]1CCN(CCC(=O)N2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000864057971 667207341 /nfs/dbraw/zinc/20/73/41/667207341.db2.gz PTGMGWQJFOZTDB-JKSUJKDBSA-N 1 1 310.486 0.954 50 0 DCAAMO Cc1cc(=O)c(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCO)C2)cn1C ZINC000952979333 685601136 /nfs/dbraw/zinc/60/11/36/685601136.db2.gz UOLZIPFWHOWOCS-AWEZNQCLSA-N 1 1 321.421 0.470 50 0 DCAAMO CC[N@H+]1CCO[C@H](CCNC(=O)c2nnc3n2CCCCC3)C1 ZINC000067741555 685068880 /nfs/dbraw/zinc/06/88/80/685068880.db2.gz FJTXVRVEIXUNDQ-CYBMUJFWSA-N 1 1 321.425 0.845 50 0 DCAAMO O=C(N[C@H]1C[N@H+](C(CO)CO)C[C@@H]1C1CC1)c1ccsc1 ZINC000091526198 685105509 /nfs/dbraw/zinc/10/55/09/685105509.db2.gz SGAFLDQQRHXCMU-KGLIPLIRSA-N 1 1 310.419 0.542 50 0 DCAAMO COCC[N@H+](C)CC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001704280588 1179958411 /nfs/dbraw/zinc/95/84/11/1179958411.db2.gz MJRMCTSOQRPRMP-CABCVRRESA-N 1 1 307.394 0.334 50 0 DCAAMO COCC[N@@H+](C)CC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001704280588 1179958419 /nfs/dbraw/zinc/95/84/19/1179958419.db2.gz MJRMCTSOQRPRMP-CABCVRRESA-N 1 1 307.394 0.334 50 0 DCAAMO C[N@H+]1CCC[C@]2(CO)CCN(C(=O)c3ccc(=O)[nH]c3)C[C@@H]12 ZINC001704300490 1179966800 /nfs/dbraw/zinc/96/68/00/1179966800.db2.gz XQUJVTMAGIUKFE-CZUORRHYSA-N 1 1 305.378 0.706 50 0 DCAAMO CCn1nc(N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)nc1OC ZINC001704339562 1179979087 /nfs/dbraw/zinc/97/90/87/1179979087.db2.gz MKEJPDYQMGMQGU-AWEZNQCLSA-N 1 1 322.457 0.770 50 0 DCAAMO CC[C@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC ZINC000822555811 758201471 /nfs/dbraw/zinc/20/14/71/758201471.db2.gz QPGVAXKWVFUSAA-CYBMUJFWSA-N 1 1 313.423 0.681 50 0 DCAAMO C[N@@H+]1Cc2ccccc2C[C@H]1CNS(=O)(=O)N1CCCC1 ZINC000823806249 758269832 /nfs/dbraw/zinc/26/98/32/758269832.db2.gz IIPRRVLJWHBFET-HNNXBMFYSA-N 1 1 309.435 0.973 50 0 DCAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNS(=O)(=O)N1CCCC1 ZINC000823806249 758269836 /nfs/dbraw/zinc/26/98/36/758269836.db2.gz IIPRRVLJWHBFET-HNNXBMFYSA-N 1 1 309.435 0.973 50 0 DCAAMO COC[C@@H]1CCCN1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000824370973 758770414 /nfs/dbraw/zinc/77/04/14/758770414.db2.gz HOBDXTOTVZDIOJ-LBPRGKRZSA-N 1 1 305.444 0.368 50 0 DCAAMO COC[C@@H]1CCCN1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000824370973 758770422 /nfs/dbraw/zinc/77/04/22/758770422.db2.gz HOBDXTOTVZDIOJ-LBPRGKRZSA-N 1 1 305.444 0.368 50 0 DCAAMO COc1ncc(C[NH+]2CCC3(CC2)CN(C)C(=O)CO3)cn1 ZINC000824851995 758790908 /nfs/dbraw/zinc/79/09/08/758790908.db2.gz MSWNIALGDVCZRU-UHFFFAOYSA-N 1 1 306.366 0.308 50 0 DCAAMO NC(=O)CCCN1CC[N@H+](C2Cc3ccccc3C2)C[C@H](O)C1 ZINC000828637910 759040993 /nfs/dbraw/zinc/04/09/93/759040993.db2.gz PPBNLWQWOJGGAV-QGZVFWFLSA-N 1 1 317.433 0.398 50 0 DCAAMO NC(=O)CCC[N@@H+]1CCN(C2Cc3ccccc3C2)C[C@H](O)C1 ZINC000828637910 759041002 /nfs/dbraw/zinc/04/10/02/759041002.db2.gz PPBNLWQWOJGGAV-QGZVFWFLSA-N 1 1 317.433 0.398 50 0 DCAAMO NC(=O)CCC[N@H+]1CCN(C2Cc3ccccc3C2)C[C@H](O)C1 ZINC000828637910 759041012 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ZINC000219667998 395846342 /nfs/dbraw/zinc/84/63/42/395846342.db2.gz JBKXZWGJUQAFHF-INIZCTEOSA-N 1 1 317.393 0.693 50 0 DCAAMO Cn1nccc1[C@@H](O)c1cc2n(n1)CC[N@H+](C1CCOCC1)C2 ZINC000219667998 395846344 /nfs/dbraw/zinc/84/63/44/395846344.db2.gz JBKXZWGJUQAFHF-INIZCTEOSA-N 1 1 317.393 0.693 50 0 DCAAMO OCC[NH+]1CCN(c2cc(C(F)(F)F)nc3ncnn32)CC1 ZINC000051149419 395846864 /nfs/dbraw/zinc/84/68/64/395846864.db2.gz OKKGCNFYXCXGCR-UHFFFAOYSA-N 1 1 316.287 0.257 50 0 DCAAMO C[C@H]1C[NH2+]CCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000125408255 395903273 /nfs/dbraw/zinc/90/32/73/395903273.db2.gz ZQNLZPVWPCLFEY-HNNXBMFYSA-N 1 1 317.437 0.414 50 0 DCAAMO CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCc2cnccn2)CC1 ZINC000271376494 395862063 /nfs/dbraw/zinc/86/20/63/395862063.db2.gz SCUSFOOMULBDSM-AWEZNQCLSA-N 1 1 305.426 0.504 50 0 DCAAMO CCN1CCN(C(=O)[C@H](C)[N@@H+](C)CCc2cnccn2)CC1 ZINC000271376494 395862066 /nfs/dbraw/zinc/86/20/66/395862066.db2.gz SCUSFOOMULBDSM-AWEZNQCLSA-N 1 1 305.426 0.504 50 0 DCAAMO 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/nfs/dbraw/zinc/02/40/17/396024017.db2.gz DNRFLUSWJPMOCL-NDBYEHHHSA-N 1 1 318.439 0.729 50 0 DCAAMO Cc1cc(C)cc(C[N@H+]2CC[C@H](CNC(=O)CNC(N)=O)C2)c1 ZINC000067774832 396033300 /nfs/dbraw/zinc/03/33/00/396033300.db2.gz RZYSPIXYKJDXPI-CQSZACIVSA-N 1 1 318.421 0.910 50 0 DCAAMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000257186240 396034466 /nfs/dbraw/zinc/03/44/66/396034466.db2.gz KFNRTOVXWMDHEF-JKSUJKDBSA-N 1 1 314.389 0.492 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@@H](CCNC(=O)C2=NNC(=O)CC2)C1 ZINC000067868856 396036993 /nfs/dbraw/zinc/03/69/93/396036993.db2.gz VPLNRBZNNHURKJ-LBPRGKRZSA-N 1 1 310.398 0.116 50 0 DCAAMO CN1CCN([C@H]2C[N@@H+](Cc3ccccc3C(=O)[O-])C[C@@H]2O)CC1 ZINC000067872247 396037353 /nfs/dbraw/zinc/03/73/53/396037353.db2.gz RMAFBCTXNSXYJS-HOTGVXAUSA-N 1 1 319.405 0.177 50 0 DCAAMO C[NH+]1CCN([C@H]2C[N@H+](Cc3ccccc3C(=O)[O-])C[C@@H]2O)CC1 ZINC000067872247 396037355 /nfs/dbraw/zinc/03/73/55/396037355.db2.gz RMAFBCTXNSXYJS-HOTGVXAUSA-N 1 1 319.405 0.177 50 0 DCAAMO CCCn1ncnc1[C@@H](C)NC(=O)CC[NH+]1CCN(C)CC1 ZINC000252482231 396019765 /nfs/dbraw/zinc/01/97/65/396019765.db2.gz DBBNGQPKBTZCPQ-CYBMUJFWSA-N 1 1 308.430 0.503 50 0 DCAAMO Cc1ccc(CNC(=O)CN2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000069652253 396086202 /nfs/dbraw/zinc/08/62/02/396086202.db2.gz FNZAWOBGFYJDAQ-CQSZACIVSA-N 1 1 323.412 0.749 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000069656479 396086360 /nfs/dbraw/zinc/08/63/60/396086360.db2.gz NKFGAIMAYWYSMZ-CQSZACIVSA-N 1 1 323.412 0.783 50 0 DCAAMO COc1ccc(OC)c(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000169756843 396091033 /nfs/dbraw/zinc/09/10/33/396091033.db2.gz NPEDPAWETFOCHF-BETUJISGSA-N 1 1 304.346 0.750 50 0 DCAAMO CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000070076743 396099978 /nfs/dbraw/zinc/09/99/78/396099978.db2.gz RBLGUFOCTZKCGE-GHMZBOCLSA-N 1 1 311.407 0.417 50 0 DCAAMO Cc1cccc(C[N@H+](CC(=O)N2CCNC(=O)C2)C2CC2)c1 ZINC000071810994 396115571 /nfs/dbraw/zinc/11/55/71/396115571.db2.gz 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/nfs/dbraw/zinc/12/33/54/396123354.db2.gz CEHLUDIJXBMJJM-UHFFFAOYSA-N 1 1 309.341 0.270 50 0 DCAAMO CC(C)CNC(=O)CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000072294919 396129839 /nfs/dbraw/zinc/12/98/39/396129839.db2.gz RLDUZGOSCXSALO-RRFJBIMHSA-N 1 1 322.453 0.884 50 0 DCAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCN(CCO)CC1 ZINC000069631578 396085318 /nfs/dbraw/zinc/08/53/18/396085318.db2.gz IPMCJQOYKYPPHX-QGZVFWFLSA-N 1 1 307.438 0.089 50 0 DCAAMO CCOCCN1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069627117 396085487 /nfs/dbraw/zinc/08/54/87/396085487.db2.gz YAMQCKNJLXUETN-QGZVFWFLSA-N 1 1 313.486 0.733 50 0 DCAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)no1 ZINC000076047289 396192763 /nfs/dbraw/zinc/19/27/63/396192763.db2.gz NYERKXUJCINVLX-KBPBESRZSA-N 1 1 320.397 0.142 50 0 DCAAMO Cn1cc[nH+]c1N1CCN(c2cnn(C)c(=O)c2Cl)CC1 ZINC000078293504 396241742 /nfs/dbraw/zinc/24/17/42/396241742.db2.gz VXPUEPBDYAPISZ-UHFFFAOYSA-N 1 1 308.773 0.494 50 0 DCAAMO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000078898654 396256910 /nfs/dbraw/zinc/25/69/10/396256910.db2.gz JTYPYVHDKCWGFE-AAEUAGOBSA-N 1 1 300.428 0.868 50 0 DCAAMO CN(C)c1ncc(C[NH+]2CCC(NS(C)(=O)=O)CC2)s1 ZINC000077321936 396218557 /nfs/dbraw/zinc/21/85/57/396218557.db2.gz QEDWMDMTZFAJFX-UHFFFAOYSA-N 1 1 318.468 0.723 50 0 DCAAMO CC(C)[NH+]1CCN(CCCN2CCOC[C@H]2C[C@@H](C)O)CC1 ZINC000192799751 396438104 /nfs/dbraw/zinc/43/81/04/396438104.db2.gz BAQBBVXWYDVSRE-IAGOWNOFSA-N 1 1 313.486 0.874 50 0 DCAAMO CCNS(=O)(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192940574 396440972 /nfs/dbraw/zinc/44/09/72/396440972.db2.gz OXQHLKKSUSZUBI-CQSZACIVSA-N 1 1 312.439 0.690 50 0 DCAAMO CC[N@H+]1CCN(C(=O)Cn2c(C)cc(C)nc2=O)CC1(C)C ZINC000584885529 396632608 /nfs/dbraw/zinc/63/26/08/396632608.db2.gz QUDCIZYHSQNRTG-UHFFFAOYSA-N 1 1 306.410 0.803 50 0 DCAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000584891448 396634307 /nfs/dbraw/zinc/63/43/07/396634307.db2.gz 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415235168 /nfs/dbraw/zinc/23/51/68/415235168.db2.gz CVRZDUOSQVUEBU-TXEJJXNPSA-N 1 1 300.428 0.676 50 0 DCAAMO O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044941767 415235214 /nfs/dbraw/zinc/23/52/14/415235214.db2.gz BYTIKICLGOHNRW-CHWSQXEVSA-N 1 1 315.377 0.239 50 0 DCAAMO NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044935868 415235587 /nfs/dbraw/zinc/23/55/87/415235587.db2.gz DVKWDFHYPXTUCR-LLVKDONJSA-N 1 1 323.418 0.548 50 0 DCAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)cc1 ZINC000091725673 415538202 /nfs/dbraw/zinc/53/82/02/415538202.db2.gz ZZYGMUHGWUDDCZ-HZPDHXFCSA-N 1 1 306.406 0.600 50 0 DCAAMO CN1CCO[C@@H](C(=O)Nc2ccc3c(c2)N(C)CC[N@H+](C)C3)C1 ZINC000108168965 415675282 /nfs/dbraw/zinc/67/52/82/415675282.db2.gz HDFLNFHEXNBNDD-MRXNPFEDSA-N 1 1 318.421 0.837 50 0 DCAAMO Cc1[nH]nc(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)c1Cl ZINC000299756494 416064378 /nfs/dbraw/zinc/06/43/78/416064378.db2.gz JCNXTWZCTBUUQR-JTQLQIEISA-N 1 1 300.790 0.948 50 0 DCAAMO Cc1n[nH]c(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)c1Cl ZINC000299756494 416064382 /nfs/dbraw/zinc/06/43/82/416064382.db2.gz JCNXTWZCTBUUQR-JTQLQIEISA-N 1 1 300.790 0.948 50 0 DCAAMO Cc1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)c1Cl ZINC000299756494 416064383 /nfs/dbraw/zinc/06/43/83/416064383.db2.gz JCNXTWZCTBUUQR-JTQLQIEISA-N 1 1 300.790 0.948 50 0 DCAAMO C[N@@H+](CC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1)C1CCCC1 ZINC000299762985 416066031 /nfs/dbraw/zinc/06/60/31/416066031.db2.gz XPJGGARHXUXUNO-LSDHHAIUSA-N 1 1 319.409 0.825 50 0 DCAAMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cn(C)c(C)n1 ZINC000246831675 416332420 /nfs/dbraw/zinc/33/24/20/416332420.db2.gz CXUCGLVXHWXCAB-OLZOCXBDSA-N 1 1 312.439 0.976 50 0 DCAAMO CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000216108800 416327337 /nfs/dbraw/zinc/32/73/37/416327337.db2.gz JOUYSDKMWAZCIO-CYBMUJFWSA-N 1 1 300.362 0.604 50 0 DCAAMO CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000216108800 416327338 /nfs/dbraw/zinc/32/73/38/416327338.db2.gz 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/nfs/dbraw/zinc/94/31/03/545943103.db2.gz JPCNJRQFPRUXET-UHFFFAOYSA-N 1 1 305.426 0.637 50 0 DCAAMO CC1CCN(C[C@H](O)C[N@@H+]2CCC[C@H]2Cn2cncn2)CC1 ZINC000257365385 545975954 /nfs/dbraw/zinc/97/59/54/545975954.db2.gz VBVVFWKVGKKUQQ-HOTGVXAUSA-N 1 1 307.442 0.835 50 0 DCAAMO CC1CCN(C[C@H](O)C[N@H+]2CCC[C@H]2Cn2cncn2)CC1 ZINC000257365385 545975957 /nfs/dbraw/zinc/97/59/57/545975957.db2.gz VBVVFWKVGKKUQQ-HOTGVXAUSA-N 1 1 307.442 0.835 50 0 DCAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc2nsnc2c1 ZINC000670445173 547093242 /nfs/dbraw/zinc/09/32/42/547093242.db2.gz KJOORWGLBHHMJD-JTQLQIEISA-N 1 1 302.363 0.601 50 0 DCAAMO Cn1cc([C@@H](CNC(=O)CN2CCCCC2=O)[NH+](C)C)cn1 ZINC000117838723 657821190 /nfs/dbraw/zinc/82/11/90/657821190.db2.gz JRNWKVZCCNBMPM-CYBMUJFWSA-N 1 1 307.398 0.152 50 0 DCAAMO Cc1cccn(CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1=O ZINC000186886571 666606947 /nfs/dbraw/zinc/60/69/47/666606947.db2.gz MTAURHUVVBDPQM-CQSZACIVSA-N 1 1 321.421 0.460 50 0 DCAAMO 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415149858 /nfs/dbraw/zinc/14/98/58/415149858.db2.gz DYRZFXRQHIFYLM-UHFFFAOYSA-N 1 1 318.381 0.769 50 0 DCAAMO CCCn1c(N)c(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)[nH]c1=O ZINC000007811122 415144230 /nfs/dbraw/zinc/14/42/30/415144230.db2.gz FKBOQHZGVFLNOH-QWRGUYRKSA-N 1 1 322.409 0.689 50 0 DCAAMO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCCC1 ZINC000027271051 415170968 /nfs/dbraw/zinc/17/09/68/415170968.db2.gz JCCOKPYTDYEXIS-UHFFFAOYSA-N 1 1 309.391 0.319 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000044344547 415219441 /nfs/dbraw/zinc/21/94/41/415219441.db2.gz VEKMBMPOUMPJTB-OLZOCXBDSA-N 1 1 317.455 0.259 50 0 DCAAMO CC(C)[C@H](CNC(=O)N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC000044910196 415232574 /nfs/dbraw/zinc/23/25/74/415232574.db2.gz IHPMEXZFQRPZQV-HNNXBMFYSA-N 1 1 323.441 0.918 50 0 DCAAMO C[C@@H](CN1CCOCC1)NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000044949303 415240329 /nfs/dbraw/zinc/24/03/29/415240329.db2.gz CBLDOLYUEWSAHL-UONOGXRCSA-N 1 1 324.425 0.902 50 0 DCAAMO 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/nfs/dbraw/zinc/32/33/69/334323369.db2.gz PYHSBVQWFMUOLI-QWRGUYRKSA-N 1 1 302.400 0.024 50 0 DCAAMO Cc1cnc(CN(C)[C@@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)o1 ZINC000084258801 545701040 /nfs/dbraw/zinc/70/10/40/545701040.db2.gz VYVUGDXFJYNVGB-CABCVRRESA-N 1 1 319.409 0.747 50 0 DCAAMO CC[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1[NH+]1CCOCC1 ZINC000084735869 545704709 /nfs/dbraw/zinc/70/47/09/545704709.db2.gz KBBMECRWZCALCI-ZIAGYGMSSA-N 1 1 323.393 0.931 50 0 DCAAMO Cc1nc(CNC(=O)C[N@@H+]2CCC[C@H](O)C2)nc2c1CCCC2 ZINC000215794367 545937512 /nfs/dbraw/zinc/93/75/12/545937512.db2.gz AMPVMGBMQHYPBX-ZDUSSCGKSA-N 1 1 318.421 0.737 50 0 DCAAMO Cc1nc(CNC(=O)C[N@H+]2CCC[C@H](O)C2)nc2c1CCCC2 ZINC000215794367 545937516 /nfs/dbraw/zinc/93/75/16/545937516.db2.gz AMPVMGBMQHYPBX-ZDUSSCGKSA-N 1 1 318.421 0.737 50 0 DCAAMO CN1C(=O)[C@H]2C[N@@H+](CC(=O)NC3CCCCCC3)C[C@H]2C1=O ZINC000670444281 547093604 /nfs/dbraw/zinc/09/36/04/547093604.db2.gz RKBVQCFOPHQIKK-BETUJISGSA-N 1 1 307.394 0.372 50 0 DCAAMO 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/nfs/dbraw/zinc/59/88/47/685598847.db2.gz MLZRNYQLMCAIOD-ZDUSSCGKSA-N 1 1 309.410 0.355 50 0 DCAAMO Nc1n[nH]c(CC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)n1 ZINC000019839896 685052157 /nfs/dbraw/zinc/05/21/57/685052157.db2.gz IOIJSVACFQOTKJ-UHFFFAOYSA-N 1 1 320.422 0.725 50 0 DCAAMO C[NH+](C)C[C@@]1(O)CCCN(CC(=O)NCc2ccco2)CC1 ZINC000072135347 685073171 /nfs/dbraw/zinc/07/31/71/685073171.db2.gz RLOHRHQJPSAQDD-MRXNPFEDSA-N 1 1 309.410 0.674 50 0 DCAAMO O=C(CC[NH+]1CCOCC1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001704278283 1179958831 /nfs/dbraw/zinc/95/88/31/1179958831.db2.gz OPQIVCDXUIPMFL-CVEARBPZSA-N 1 1 319.405 0.166 50 0 DCAAMO CCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(N2CCCC2)[nH+]1 ZINC001704304432 1179966660 /nfs/dbraw/zinc/96/66/60/1179966660.db2.gz RHYQDZMAEKUYRX-UHFFFAOYSA-N 1 1 319.409 0.846 50 0 DCAAMO Cc1cc(C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2O)n[nH]1 ZINC001704354932 1179983294 /nfs/dbraw/zinc/98/32/94/1179983294.db2.gz MZLLKQCIKHMDJM-GDBMZVCRSA-N 1 1 320.437 0.812 50 0 DCAAMO 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ZINC000253536285 396029586 /nfs/dbraw/zinc/02/95/86/396029586.db2.gz CSWFRTVOTRPCIF-UHFFFAOYSA-N 1 1 303.366 0.860 50 0 DCAAMO C[C@@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@H](C)[NH2+]1 ZINC000154114233 396031230 /nfs/dbraw/zinc/03/12/30/396031230.db2.gz FJNKUIINQUODGD-OKILXGFUSA-N 1 1 317.437 0.656 50 0 DCAAMO Cc1ncc(C[N@@H+]2CC[C@H](CNS(=O)(=O)C3CC3)C2)cn1 ZINC000067956237 396040485 /nfs/dbraw/zinc/04/04/85/396040485.db2.gz JVTNPNVCWVTLKK-GFCCVEGCSA-N 1 1 310.423 0.689 50 0 DCAAMO Cc1ncc(C[N@H+]2CC[C@H](CNS(=O)(=O)C3CC3)C2)cn1 ZINC000067956237 396040491 /nfs/dbraw/zinc/04/04/91/396040491.db2.gz JVTNPNVCWVTLKK-GFCCVEGCSA-N 1 1 310.423 0.689 50 0 DCAAMO CC(C)(C)c1nc(N2CC[C@@H](O)C2)cc(N2CC[C@@H](O)C2)[nH+]1 ZINC000252500615 396021712 /nfs/dbraw/zinc/02/17/12/396021712.db2.gz SZFKVVFYCNVGKQ-VXGBXAGGSA-N 1 1 306.410 0.916 50 0 DCAAMO Cc1nc(CN2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)oc1C ZINC000069654072 396086419 /nfs/dbraw/zinc/08/64/19/396086419.db2.gz WHRJMBJJWAGNLX-OAHLLOKOSA-N 1 1 319.409 0.667 50 0 DCAAMO C[C@H](OC[C@@H]1CCCCO1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000069738556 396088717 /nfs/dbraw/zinc/08/87/17/396088717.db2.gz YKRYWBWQKKPVHX-KKUMJFAQSA-N 1 1 313.442 0.323 50 0 DCAAMO O=C(Cn1cnnn1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000069743017 396089741 /nfs/dbraw/zinc/08/97/41/396089741.db2.gz QZGXUKIAQFZPMZ-UHFFFAOYSA-N 1 1 318.356 0.547 50 0 DCAAMO O=C(Cn1cnnn1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000069743017 396089744 /nfs/dbraw/zinc/08/97/44/396089744.db2.gz QZGXUKIAQFZPMZ-UHFFFAOYSA-N 1 1 318.356 0.547 50 0 DCAAMO CCc1nc2n(n1)C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)CC2 ZINC000069899679 396094800 /nfs/dbraw/zinc/09/48/00/396094800.db2.gz ADHKFFOFGOHVAI-GFCCVEGCSA-N 1 1 324.392 0.921 50 0 DCAAMO Cc1cnc(C(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)cn1 ZINC000069929178 396095608 /nfs/dbraw/zinc/09/56/08/396095608.db2.gz SGBGOBMKUZDOQG-AWEZNQCLSA-N 1 1 306.410 0.950 50 0 DCAAMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2nc(C(C)(C)C)no2)CC1 ZINC000071184992 396110765 /nfs/dbraw/zinc/11/07/65/396110765.db2.gz 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ZINC000078901156 396258105 /nfs/dbraw/zinc/25/81/05/396258105.db2.gz OHHRTOOWEGGPPQ-LBPRGKRZSA-N 1 1 317.393 0.495 50 0 DCAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC000003427447 415128637 /nfs/dbraw/zinc/12/86/37/415128637.db2.gz DRRYIAHMFPLTAK-UHFFFAOYSA-N 1 1 310.423 0.618 50 0 DCAAMO C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CC)n(C)c1=O ZINC000010336853 415147978 /nfs/dbraw/zinc/14/79/78/415147978.db2.gz JZOMYYOMIIBEGJ-FNORWQNLSA-N 1 1 316.365 0.689 50 0 DCAAMO C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)N(C)CC2CC2)CC1 ZINC000332181693 415283513 /nfs/dbraw/zinc/28/35/13/415283513.db2.gz WRZGGBDOQFZPNZ-LBPRGKRZSA-N 1 1 319.471 0.350 50 0 DCAAMO CN(CC(N)=O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069490239 415397965 /nfs/dbraw/zinc/39/79/65/415397965.db2.gz JPBVRSNJXQTSKL-MRXNPFEDSA-N 1 1 305.422 0.849 50 0 DCAAMO COc1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)nc(OC)n1 ZINC000067460262 415373514 /nfs/dbraw/zinc/37/35/14/415373514.db2.gz CXGDGQBEMAZWOD-NSHDSACASA-N 1 1 308.382 0.956 50 0 DCAAMO CCC[NH+]1CCN(C(=O)c2cc(CN3CCOCC3)on2)CC1 ZINC000067689336 415383204 /nfs/dbraw/zinc/38/32/04/415383204.db2.gz OAELLKZZGPWKEH-UHFFFAOYSA-N 1 1 322.409 0.675 50 0 DCAAMO CC(C)C[C@H]1COCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000079306083 415468387 /nfs/dbraw/zinc/46/83/87/415468387.db2.gz PVHYDBLAXPSOOG-LSDHHAIUSA-N 1 1 312.458 0.689 50 0 DCAAMO C[N@@H+](CCn1cccn1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085796228 415504250 /nfs/dbraw/zinc/50/42/50/415504250.db2.gz JBVFVXPGHIMDQF-ZDUSSCGKSA-N 1 1 300.428 0.487 50 0 DCAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(N2CCOCC2)nc1 ZINC000089938576 415526357 /nfs/dbraw/zinc/52/63/57/415526357.db2.gz GBORODOCRMALHE-CYBMUJFWSA-N 1 1 304.394 0.694 50 0 DCAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N2CCOCC2)nc1 ZINC000089938576 415526363 /nfs/dbraw/zinc/52/63/63/415526363.db2.gz GBORODOCRMALHE-CYBMUJFWSA-N 1 1 304.394 0.694 50 0 DCAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](CC(=O)[O-])C2)n1C ZINC000095362315 415554784 /nfs/dbraw/zinc/55/47/84/415554784.db2.gz 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ZINC000107665148 415673373 /nfs/dbraw/zinc/67/33/73/415673373.db2.gz IMRAZXSTYJBAPP-OAHLLOKOSA-N 1 1 306.414 0.084 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000108087437 415675769 /nfs/dbraw/zinc/67/57/69/415675769.db2.gz CABSESQOTSRDKF-DOMZBBRYSA-N 1 1 321.425 0.753 50 0 DCAAMO COC(=O)Cn1ncc2c1ncnc2N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000108368338 415679028 /nfs/dbraw/zinc/67/90/28/415679028.db2.gz OGAQZQPMILBQSQ-QWRGUYRKSA-N 1 1 318.381 0.528 50 0 DCAAMO Cc1ccn(-c2ccc(N3CCC[N@@H+](CCO)CC3)nn2)n1 ZINC000131556291 415930188 /nfs/dbraw/zinc/93/01/88/415930188.db2.gz NYTKPBRTWHAPPN-UHFFFAOYSA-N 1 1 302.382 0.475 50 0 DCAAMO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C[N@H+]1C[C@@H]3CC[C@H]1C3)C2 ZINC000299796997 416070994 /nfs/dbraw/zinc/07/09/94/416070994.db2.gz RPZZQOURDHDTOB-NEPJUHHUSA-N 1 1 302.378 0.860 50 0 DCAAMO Cc1nn(CC(=O)NCC[C@@H](C)N2CC[NH+](C)CC2)c(C)c1C ZINC000215626870 416327264 /nfs/dbraw/zinc/32/72/64/416327264.db2.gz QUECXCQRACTPNN-CYBMUJFWSA-N 1 1 321.469 0.951 50 0 DCAAMO Cn1c(=O)[nH]cc(CC[N@H+]2CCOc3ccccc3C2)c1=O ZINC000241081903 416329948 /nfs/dbraw/zinc/32/99/48/416329948.db2.gz YSEGZGZMLAWAJA-UHFFFAOYSA-N 1 1 301.346 0.923 50 0 DCAAMO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000239667439 416330150 /nfs/dbraw/zinc/33/01/50/416330150.db2.gz BQCJWKCOLZDTKG-KBPBESRZSA-N 1 1 316.467 0.812 50 0 DCAAMO COCCn1c(C)c[nH+]c1CCNC(=O)c1cnc(C)cn1 ZINC000575316342 417527712 /nfs/dbraw/zinc/52/77/12/417527712.db2.gz KJXARKLRPJLDBU-UHFFFAOYSA-N 1 1 303.366 0.909 50 0 DCAAMO C[NH+]1CCN([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000023116754 277111530 /nfs/dbraw/zinc/11/15/30/277111530.db2.gz HDUGVQZKQOYKMD-ZDUSSCGKSA-N 1 1 309.316 0.844 50 0 DCAAMO C[N@H+]1CCN2C[C@@H](NC(=O)c3scc4c3OCCO4)C[C@H]2C1 ZINC000067965015 277115791 /nfs/dbraw/zinc/11/57/91/277115791.db2.gz UVYFTXJZRZWTCX-QWRGUYRKSA-N 1 1 323.418 0.637 50 0 DCAAMO CN1CC[N@@H+]2C[C@@H](NC(=O)c3scc4c3OCCO4)C[C@H]2C1 ZINC000067965015 277115793 /nfs/dbraw/zinc/11/57/93/277115793.db2.gz 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Cc1cccc2ncc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c(=O)n12 ZINC000077379947 545679239 /nfs/dbraw/zinc/67/92/39/545679239.db2.gz RYNWJSRJBVAPLQ-GXTWGEPZSA-N 1 1 312.373 0.779 50 0 DCAAMO NC(=O)c1cccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000084364142 545700432 /nfs/dbraw/zinc/70/04/32/545700432.db2.gz AWSMWFULVFWJMK-GJZGRUSLSA-N 1 1 317.389 0.457 50 0 DCAAMO CN(C)Cc1noc(CN2CCC([N@H+]3CCC[C@@H](O)C3)CC2)n1 ZINC000244695581 660602327 /nfs/dbraw/zinc/60/23/27/660602327.db2.gz JPBGRAUXAHLUOC-CQSZACIVSA-N 1 1 323.441 0.552 50 0 DCAAMO CN(C)C(=O)[C@@](C)(NC[C@@H](O)C[N@@H+](C)C1CC1)C(F)(F)F ZINC000888095791 661168643 /nfs/dbraw/zinc/16/86/43/661168643.db2.gz WAMDSSRYLYBZHT-ZYHUDNBSSA-N 1 1 311.348 0.440 50 0 DCAAMO CC(CO)(CO)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000888096541 661173983 /nfs/dbraw/zinc/17/39/83/661173983.db2.gz IAOUQQTWMVEULZ-HNNXBMFYSA-N 1 1 321.421 0.551 50 0 DCAAMO COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1F ZINC000020536943 659680657 /nfs/dbraw/zinc/68/06/57/659680657.db2.gz RQODIHKCPAGZGU-GJZGRUSLSA-N 1 1 310.369 0.712 50 0 DCAAMO COc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1F ZINC000020536943 659680658 /nfs/dbraw/zinc/68/06/58/659680658.db2.gz RQODIHKCPAGZGU-GJZGRUSLSA-N 1 1 310.369 0.712 50 0 DCAAMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cn[nH]n1 ZINC000183392449 666037039 /nfs/dbraw/zinc/03/70/39/666037039.db2.gz DJMNMVSZPUAPPA-ZDUSSCGKSA-N 1 1 301.350 0.301 50 0 DCAAMO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cnn[nH]1 ZINC000183392449 666037040 /nfs/dbraw/zinc/03/70/40/666037040.db2.gz DJMNMVSZPUAPPA-ZDUSSCGKSA-N 1 1 301.350 0.301 50 0 DCAAMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cnn[nH]1 ZINC000183392449 666037042 /nfs/dbraw/zinc/03/70/42/666037042.db2.gz DJMNMVSZPUAPPA-ZDUSSCGKSA-N 1 1 301.350 0.301 50 0 DCAAMO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000846826708 672347217 /nfs/dbraw/zinc/34/72/17/672347217.db2.gz QMCLJRCDPHWLNL-NSHDSACASA-N 1 1 310.379 0.736 50 0 DCAAMO 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319.405 0.640 50 0 DCAAMO C[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 ZINC000019799642 395691149 /nfs/dbraw/zinc/69/11/49/395691149.db2.gz ODPISVPJTQCCLM-UHFFFAOYSA-N 1 1 323.780 0.839 50 0 DCAAMO O=C(CN1CCOCC1)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000089884902 395715973 /nfs/dbraw/zinc/71/59/73/395715973.db2.gz WGGYBUQBGVYYBI-UHFFFAOYSA-N 1 1 324.812 0.716 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(Cc3ncc[nH]3)C[C@@H]2C)CC1 ZINC000089937266 395716841 /nfs/dbraw/zinc/71/68/41/395716841.db2.gz DNCHFYDQPFATCK-ZFWWWQNUSA-N 1 1 305.426 0.784 50 0 DCAAMO CC[C@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735660 395698764 /nfs/dbraw/zinc/69/87/64/395698764.db2.gz BFKWUGSFDXXAGZ-STQMWFEESA-N 1 1 309.410 0.082 50 0 DCAAMO Cc1cnn(C[C@H]2CCC[N@H+]2C[C@@H](O)CN2CCOCC2)c1 ZINC000106785785 395783720 /nfs/dbraw/zinc/78/37/20/395783720.db2.gz WIKZCLBNBZWWCH-CVEARBPZSA-N 1 1 308.426 0.349 50 0 DCAAMO CC(=O)N1CCC2(CC1)CC[N@H+](Cc1nc(C)no1)C[C@@H]2CO ZINC000097654026 395759608 /nfs/dbraw/zinc/75/96/08/395759608.db2.gz DHOYIPVZIKZFJC-CQSZACIVSA-N 1 1 322.409 0.821 50 0 DCAAMO CC(=O)N1CCC2(CC1)CC[N@@H+](Cc1nc(C)no1)C[C@@H]2CO ZINC000097654026 395759611 /nfs/dbraw/zinc/75/96/11/395759611.db2.gz DHOYIPVZIKZFJC-CQSZACIVSA-N 1 1 322.409 0.821 50 0 DCAAMO C[N@H+]1CCN(C(=O)CN2CCc3ccccc3C2)C[C@H](O)C1 ZINC000097743623 395760539 /nfs/dbraw/zinc/76/05/39/395760539.db2.gz SRHIDPVQSDIGNZ-MRXNPFEDSA-N 1 1 303.406 0.180 50 0 DCAAMO COCCC[N@H+]1CCN(C(=O)c2ccc(CO)cc2)C[C@@H](O)C1 ZINC000097815191 395760797 /nfs/dbraw/zinc/76/07/97/395760797.db2.gz ZCERFZAZUBUNPR-INIZCTEOSA-N 1 1 322.405 0.334 50 0 DCAAMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000046147915 395771518 /nfs/dbraw/zinc/77/15/18/395771518.db2.gz NDARZRZEJYSWRG-GJZGRUSLSA-N 1 1 301.390 0.855 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ncccc2C)CC1 ZINC000048287449 395812341 /nfs/dbraw/zinc/81/23/41/395812341.db2.gz PMGDDYGJNDRTLT-UHFFFAOYSA-N 1 1 305.382 0.722 50 0 DCAAMO NC(=O)CN1CC[N@H+](Cc2cc3ccccc3o2)C[C@H](O)C1 ZINC000225329770 395859323 /nfs/dbraw/zinc/85/93/23/395859323.db2.gz JTZREXXVTPOYEZ-ZDUSSCGKSA-N 1 1 303.362 0.397 50 0 DCAAMO NC(=O)CN1CC[N@@H+](Cc2cc3ccccc3o2)C[C@H](O)C1 ZINC000225329770 395859327 /nfs/dbraw/zinc/85/93/27/395859327.db2.gz JTZREXXVTPOYEZ-ZDUSSCGKSA-N 1 1 303.362 0.397 50 0 DCAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)Nc1cc[nH]n1 ZINC000049543685 395832689 /nfs/dbraw/zinc/83/26/89/395832689.db2.gz FMOHRHZYUWIUEQ-RYUDHWBXSA-N 1 1 305.382 0.729 50 0 biogenic DCAAMO Cc1nc(N)ncc1C(=O)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000218976742 395843767 /nfs/dbraw/zinc/84/37/67/395843767.db2.gz WFHQXRLRUFDJQV-CYBMUJFWSA-N 1 1 319.409 0.286 50 0 DCAAMO CSCc1noc(CNC(=O)[C@H]([NH3+])c2c(C)n[nH]c2C)n1 ZINC000219935315 395847002 /nfs/dbraw/zinc/84/70/02/395847002.db2.gz FHKASGZHQJGKMW-LLVKDONJSA-N 1 1 310.383 0.589 50 0 DCAAMO CCC1(CO)CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000124330221 395900664 /nfs/dbraw/zinc/90/06/64/395900664.db2.gz YXDPKUIYZAQHPU-UONOGXRCSA-N 1 1 313.442 0.900 50 0 DCAAMO CCC1(CO)CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000124330221 395900669 /nfs/dbraw/zinc/90/06/69/395900669.db2.gz YXDPKUIYZAQHPU-UONOGXRCSA-N 1 1 313.442 0.900 50 0 DCAAMO COc1cccc(F)c1C(=O)N1CCN2CC[N@H+](C)C[C@H]2C1 ZINC000244866491 395925728 /nfs/dbraw/zinc/92/57/28/395925728.db2.gz VXAUDONBCWOLQJ-LBPRGKRZSA-N 1 1 307.369 0.906 50 0 DCAAMO COc1cccc(F)c1C(=O)N1CCN2CC[N@@H+](C)C[C@H]2C1 ZINC000244866491 395925731 /nfs/dbraw/zinc/92/57/31/395925731.db2.gz VXAUDONBCWOLQJ-LBPRGKRZSA-N 1 1 307.369 0.906 50 0 DCAAMO C[C@@H]1C[N@H+](C[C@H](O)Cn2nnc(-c3ccsc3)n2)C[C@H](C)O1 ZINC000225708926 395863100 /nfs/dbraw/zinc/86/31/00/395863100.db2.gz LRRBZAOOCIKYLI-LOWVWBTDSA-N 1 1 323.422 0.872 50 0 DCAAMO C[N@H+]1CCC[C@@H](N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000229590230 395875350 /nfs/dbraw/zinc/87/53/50/395875350.db2.gz PDKBGMBQDDXUIX-IAGOWNOFSA-N 1 1 316.449 0.925 50 0 DCAAMO CNc1ccnc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000230120223 395878771 /nfs/dbraw/zinc/87/87/71/395878771.db2.gz FWELUVNARCGDGQ-MRXNPFEDSA-N 1 1 318.425 0.651 50 0 DCAAMO Cc1ccnn1CCC(=O)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000230567008 395881303 /nfs/dbraw/zinc/88/13/03/395881303.db2.gz QAACWRMLCLNSQD-MRXNPFEDSA-N 1 1 320.437 0.887 50 0 DCAAMO Cc1ncc2c(n1)CN(C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000247956988 395980509 /nfs/dbraw/zinc/98/05/09/395980509.db2.gz MMOWEBQMCXWBDY-XEZPLFJOSA-N 1 1 320.437 0.613 50 0 DCAAMO CCS(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC000067621517 396029248 /nfs/dbraw/zinc/02/92/48/396029248.db2.gz QYCMPMWYQHZQRR-UHFFFAOYSA-N 1 1 313.427 0.323 50 0 DCAAMO COCCOc1cc(C(=O)NCCC[NH+]2CCOCC2)ccn1 ZINC000253473633 396029315 /nfs/dbraw/zinc/02/93/15/396029315.db2.gz WVFBXONHTGRNNZ-UHFFFAOYSA-N 1 1 323.393 0.559 50 0 DCAAMO CC(C)c1nccc(C[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)n1 ZINC000067770620 396033555 /nfs/dbraw/zinc/03/35/55/396033555.db2.gz 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/nfs/dbraw/zinc/09/01/31/396090131.db2.gz HOMSCRNLLGYZBL-UHFFFAOYSA-N 1 1 323.462 0.849 50 0 DCAAMO COCC[N@@H+]1CCN(CC(=O)NCc2ccccn2)C[C@@H]1C ZINC000069815860 396090809 /nfs/dbraw/zinc/09/08/09/396090809.db2.gz GIYPAJHDLUXDJV-AWEZNQCLSA-N 1 1 306.410 0.350 50 0 DCAAMO COCC[N@H+]1CCN(CC(=O)NCc2ccccn2)C[C@@H]1C ZINC000069815860 396090814 /nfs/dbraw/zinc/09/08/14/396090814.db2.gz GIYPAJHDLUXDJV-AWEZNQCLSA-N 1 1 306.410 0.350 50 0 DCAAMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000069871355 396092890 /nfs/dbraw/zinc/09/28/90/396092890.db2.gz OJULUFOURULSEC-LBPRGKRZSA-N 1 1 303.370 0.721 50 0 DCAAMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000069871355 396092893 /nfs/dbraw/zinc/09/28/93/396092893.db2.gz OJULUFOURULSEC-LBPRGKRZSA-N 1 1 303.370 0.721 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000069895721 396093754 /nfs/dbraw/zinc/09/37/54/396093754.db2.gz YSKQGLWSVTYEHJ-CQSZACIVSA-N 1 1 321.425 0.584 50 0 DCAAMO Cc1cc(NC(=O)CN(C)CC2CC[NH+](CCO)CC2)n(C)n1 ZINC000069948984 396095976 /nfs/dbraw/zinc/09/59/76/396095976.db2.gz YAMPRKLUUUZCQH-UHFFFAOYSA-N 1 1 323.441 0.303 50 0 DCAAMO COCC[NH+]1CCN(CC(=O)NCc2sccc2C)CC1 ZINC000069952029 396096122 /nfs/dbraw/zinc/09/61/22/396096122.db2.gz YGEHTRLOXBMGFG-UHFFFAOYSA-N 1 1 311.451 0.937 50 0 DCAAMO O=C(CC[N@H+]1CCCC[C@H]1Cn1cncn1)N1CCOCC1 ZINC000071876370 396121593 /nfs/dbraw/zinc/12/15/93/396121593.db2.gz URSQOAYUJKAUNG-AWEZNQCLSA-N 1 1 307.398 0.382 50 0 DCAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)COc2ccccc2)CC1 ZINC000071881977 396122273 /nfs/dbraw/zinc/12/22/73/396122273.db2.gz PDHNKVVHCLPNHD-OAHLLOKOSA-N 1 1 322.405 0.607 50 0 DCAAMO c1nc2c(c(N[C@H]3COC[C@@H]3N3CCCCC3)n1)CC[NH2+]CC2 ZINC000072407118 396131689 /nfs/dbraw/zinc/13/16/89/396131689.db2.gz MDXIYOZFLYYCLK-HOTGVXAUSA-N 1 1 317.437 0.830 50 0 DCAAMO COc1c(C[NH2+]CC(=O)NCc2ccccn2)c(C)nn1C ZINC000069531812 396081792 /nfs/dbraw/zinc/08/17/92/396081792.db2.gz OSDNRDLLFPKBBY-UHFFFAOYSA-N 1 1 303.366 0.538 50 0 DCAAMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000075606041 396182401 /nfs/dbraw/zinc/18/24/01/396182401.db2.gz YZCPHROAXRJJSM-STQMWFEESA-N 1 1 322.409 0.404 50 0 DCAAMO NC(=O)CN1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178162364 396190413 /nfs/dbraw/zinc/19/04/13/396190413.db2.gz ODPYDAGNIAUVCK-AWEZNQCLSA-N 1 1 322.453 0.271 50 0 DCAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1cn(C)cn1 ZINC000076050194 396193577 /nfs/dbraw/zinc/19/35/77/396193577.db2.gz HTXZJNYFQLXZKT-LBPRGKRZSA-N 1 1 309.395 0.778 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C)CC1 ZINC000076056667 396195212 /nfs/dbraw/zinc/19/52/12/396195212.db2.gz QWLHFSVJICFTCZ-HOCLYGCPSA-N 1 1 322.453 0.093 50 0 DCAAMO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078789493 396254787 /nfs/dbraw/zinc/25/47/87/396254787.db2.gz DKKCRAVFAZQSIE-KBPBESRZSA-N 1 1 305.378 0.761 50 0 DCAAMO COc1ccc(CC[N@H+](C)C[C@]2(O)CNCCOC2)cc1OC ZINC000077323520 396218256 /nfs/dbraw/zinc/21/82/56/396218256.db2.gz YZXWQIMZXBNZJJ-QGZVFWFLSA-N 1 1 324.421 0.529 50 0 DCAAMO COc1ccc(CC[N@@H+](C)C[C@]2(O)CNCCOC2)cc1OC ZINC000077323520 396218257 /nfs/dbraw/zinc/21/82/57/396218257.db2.gz YZXWQIMZXBNZJJ-QGZVFWFLSA-N 1 1 324.421 0.529 50 0 DCAAMO O[C@@]1(CNCCOCc2ccc(Cl)cc2)C[NH2+]CCOC1 ZINC000077319352 396218804 /nfs/dbraw/zinc/21/88/04/396218804.db2.gz VCNJUUDEOKNOEY-HNNXBMFYSA-N 1 1 314.813 0.797 50 0 DCAAMO CC1CCN(Cc2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3O)o2)CC1 ZINC000077375817 396220222 /nfs/dbraw/zinc/22/02/22/396220222.db2.gz RCYKMBYBVOYCHY-HUUCEWRRSA-N 1 1 321.421 0.964 50 0 DCAAMO C[C@H](C(=O)NCCc1nc2ccccc2[nH]1)N1CC[NH+](C)CC1 ZINC000263662768 396221653 /nfs/dbraw/zinc/22/16/53/396221653.db2.gz IYWDCWZQSJMNGL-CYBMUJFWSA-N 1 1 315.421 0.858 50 0 DCAAMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cnn1C ZINC000077489942 396224349 /nfs/dbraw/zinc/22/43/49/396224349.db2.gz SWZLSQCAFCXBHE-QGZVFWFLSA-N 1 1 320.437 0.925 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)N2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000584899562 396636250 /nfs/dbraw/zinc/63/62/50/396636250.db2.gz WLWBCUYAYPQQJD-OAHLLOKOSA-N 1 1 317.437 0.820 50 0 DCAAMO CC(C)C[N@H+]1CCN(C(=O)c2cncc(O)c2)C[C@@H]1CCO ZINC000584901919 396637307 /nfs/dbraw/zinc/63/73/07/396637307.db2.gz QCCAYLPKAWCICO-AWEZNQCLSA-N 1 1 307.394 0.952 50 0 DCAAMO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000585140774 396641507 /nfs/dbraw/zinc/64/15/07/396641507.db2.gz JJPWTNSGDLSSHQ-QWRGUYRKSA-N 1 1 308.382 0.982 50 0 DCAAMO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000585140774 396641509 /nfs/dbraw/zinc/64/15/09/396641509.db2.gz JJPWTNSGDLSSHQ-QWRGUYRKSA-N 1 1 308.382 0.982 50 0 DCAAMO NC(=O)C[NH+]1CCC(Nc2cc(N3CCCCC3)ncn2)CC1 ZINC000105786753 158130483 /nfs/dbraw/zinc/13/04/83/158130483.db2.gz OEXLQMBJGLVEDO-UHFFFAOYSA-N 1 1 318.425 0.829 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000330366458 159163883 /nfs/dbraw/zinc/16/38/83/159163883.db2.gz RFCGPDBTGUDPJJ-NSHDSACASA-N 1 1 301.416 0.266 50 0 DCAAMO CCCS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000367655019 159349521 /nfs/dbraw/zinc/34/95/21/159349521.db2.gz BLIBNTBJEDSIFE-AWEZNQCLSA-N 1 1 303.472 0.686 50 0 DCAAMO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CSC[NH2+]1 ZINC000133947777 196349013 /nfs/dbraw/zinc/34/90/13/196349013.db2.gz VSWMBSIKHXFDCH-GFCCVEGCSA-N 1 1 318.402 0.934 50 0 DCAAMO COc1ccc(OC)c2c1C[N@H+](CCC(=O)NC(N)=O)C[C@H]2O ZINC000026159325 415164537 /nfs/dbraw/zinc/16/45/37/415164537.db2.gz HVLSGBJUTCNYHI-SNVBAGLBSA-N 1 1 323.349 0.138 50 0 DCAAMO COc1ccc(OC)c2c1C[N@@H+](CCC(=O)NC(N)=O)C[C@H]2O ZINC000026159325 415164543 /nfs/dbraw/zinc/16/45/43/415164543.db2.gz HVLSGBJUTCNYHI-SNVBAGLBSA-N 1 1 323.349 0.138 50 0 DCAAMO CCC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1COc2ccccc2O1 ZINC000026663658 415166862 /nfs/dbraw/zinc/16/68/62/415166862.db2.gz MJRYTOQNTDJLSD-GFCCVEGCSA-N 1 1 321.377 0.994 50 0 DCAAMO CCC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1COc2ccccc2O1 ZINC000026663658 415166866 /nfs/dbraw/zinc/16/68/66/415166866.db2.gz MJRYTOQNTDJLSD-GFCCVEGCSA-N 1 1 321.377 0.994 50 0 DCAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC000072138686 415411454 /nfs/dbraw/zinc/41/14/54/415411454.db2.gz DRSLPCNIQWKDIJ-CQSZACIVSA-N 1 1 304.394 0.778 50 0 DCAAMO CC(C)c1csc(C(=O)N2CCC3(CC2)[NH2+]CCNC3=O)n1 ZINC000067674176 415380391 /nfs/dbraw/zinc/38/03/91/415380391.db2.gz QLVIAOWLRWEBSA-UHFFFAOYSA-N 1 1 322.434 0.961 50 0 DCAAMO C[N@H+]1CC[C@@](C)(CNC(=O)c2cc(CN3CCOCC3)on2)C1 ZINC000067563074 415380513 /nfs/dbraw/zinc/38/05/13/415380513.db2.gz MWLHCTZQWULJDB-INIZCTEOSA-N 1 1 322.409 0.578 50 0 DCAAMO O=C(CC[N@@H+]1CCn2c(nnc2C2CC2)C1)N1CCOCC1 ZINC000084136963 415492164 /nfs/dbraw/zinc/49/21/64/415492164.db2.gz DUTXCJVWYHADRC-UHFFFAOYSA-N 1 1 305.382 0.220 50 0 DCAAMO O=C(CC[N@H+]1CCn2c(nnc2C2CC2)C1)N1CCOCC1 ZINC000084136963 415492174 /nfs/dbraw/zinc/49/21/74/415492174.db2.gz DUTXCJVWYHADRC-UHFFFAOYSA-N 1 1 305.382 0.220 50 0 DCAAMO CC[C@H]1CN(CC(=O)Nc2ccncc2)CC[N@H+]1C[C@@H](C)O ZINC000084736457 415499015 /nfs/dbraw/zinc/49/90/15/415499015.db2.gz FCYLWKNIXXQWKE-HIFRSBDPSA-N 1 1 306.410 0.797 50 0 DCAAMO Cn1ccnc1CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000075131356 415439651 /nfs/dbraw/zinc/43/96/51/415439651.db2.gz ZXCLYOOJDPGGBH-AWEZNQCLSA-N 1 1 305.426 0.406 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000075602819 415447416 /nfs/dbraw/zinc/44/74/16/415447416.db2.gz ZNZPGXWQBHUZFC-GFCCVEGCSA-N 1 1 315.373 0.667 50 0 DCAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2c[nH]nc2-c2ccncc2)CC1 ZINC000075604478 415453450 /nfs/dbraw/zinc/45/34/50/415453450.db2.gz JOWVWGWAPAJXJW-LBPRGKRZSA-N 1 1 315.377 0.610 50 0 DCAAMO Cn1c(Cn2cccn2)nnc1[C@@H]1CCC[N@@H+](CCC(N)=O)C1 ZINC000095353082 415550454 /nfs/dbraw/zinc/55/04/54/415550454.db2.gz VJAJEWSFUYECRC-GFCCVEGCSA-N 1 1 317.397 0.115 50 0 DCAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCCc2nc(COC)no2)C1 ZINC000095375564 415556655 /nfs/dbraw/zinc/55/66/55/415556655.db2.gz DCGNPZCDIJGROO-OAHLLOKOSA-N 1 1 310.398 0.997 50 0 DCAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1 ZINC000095380987 415557938 /nfs/dbraw/zinc/55/79/38/415557938.db2.gz ULXBMDWUTPRFJN-NSHDSACASA-N 1 1 307.398 0.131 50 0 DCAAMO CCn1cnnc1C[N@@H+]1CC[C@@]2(C1)CCCN(CCOC)C2=O ZINC000095375686 415559797 /nfs/dbraw/zinc/55/97/97/415559797.db2.gz JJSSEFCWHQQMOH-MRXNPFEDSA-N 1 1 321.425 0.759 50 0 DCAAMO CCn1cnnc1C[N@H+]1CC[C@@]2(C1)CCCN(CCOC)C2=O ZINC000095375686 415559802 /nfs/dbraw/zinc/55/98/02/415559802.db2.gz JJSSEFCWHQQMOH-MRXNPFEDSA-N 1 1 321.425 0.759 50 0 DCAAMO COC(=O)Cn1ncc2c1ncnc2N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000095982745 415567550 /nfs/dbraw/zinc/56/75/50/415567550.db2.gz OGAQZQPMILBQSQ-MNOVXSKESA-N 1 1 318.381 0.528 50 0 DCAAMO CC[C@H]1CN(CC(=O)NCc2ccccn2)CC[N@H+]1C[C@H](C)O ZINC000106929227 415655055 /nfs/dbraw/zinc/65/50/55/415655055.db2.gz YJUXBNNVRDQYIJ-HOCLYGCPSA-N 1 1 320.437 0.475 50 0 DCAAMO CSc1nccc(N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)n1 ZINC000107398655 415666862 /nfs/dbraw/zinc/66/68/62/415666862.db2.gz ZJXOWCKBGKYKFK-OAHLLOKOSA-N 1 1 321.450 0.989 50 0 DCAAMO C[C@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC[NH2+]1 ZINC000155221146 415994941 /nfs/dbraw/zinc/99/49/41/415994941.db2.gz HBJMQHGKRSEAIL-ZDUSSCGKSA-N 1 1 303.410 0.267 50 0 DCAAMO Cc1nc(C[N@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)co1 ZINC000299778957 416067822 /nfs/dbraw/zinc/06/78/22/416067822.db2.gz SXINBCSUHKOWBF-UKMLZYKCSA-N 1 1 308.378 0.971 50 0 DCAAMO CCn1nc(C)c(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000299802103 416071882 /nfs/dbraw/zinc/07/18/82/416071882.db2.gz XHKYNZYOJZIAGY-ZDUSSCGKSA-N 1 1 321.425 0.447 50 0 DCAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3[nH]nnc3C)cc2C1 ZINC000299799549 416072053 /nfs/dbraw/zinc/07/20/53/416072053.db2.gz RXPLXUPCSAWRGR-UHFFFAOYSA-N 1 1 317.397 0.855 50 0 DCAAMO c1nnc2n1CCN(c1nc(N[C@@H]3CCCOC3)cc[nH+]1)C2 ZINC000328635583 416125009 /nfs/dbraw/zinc/12/50/09/416125009.db2.gz NLOAJHHHSZJNEC-LLVKDONJSA-N 1 1 301.354 0.679 50 0 DCAAMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000247130965 416332478 /nfs/dbraw/zinc/33/24/78/416332478.db2.gz KJXCXLCFZDPXLE-ZIAGYGMSSA-N 1 1 321.425 0.846 50 0 DCAAMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000247130965 416332479 /nfs/dbraw/zinc/33/24/79/416332479.db2.gz KJXCXLCFZDPXLE-ZIAGYGMSSA-N 1 1 321.425 0.846 50 0 DCAAMO C[C@H](O)C[N@H+]1CCN([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC000247437705 416332804 /nfs/dbraw/zinc/33/28/04/416332804.db2.gz ZLIBFPUUMJCMMN-VWYCJHECSA-N 1 1 311.348 0.440 50 0 DCAAMO O=C(CN1CCOCC1=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000240886265 416330083 /nfs/dbraw/zinc/33/00/83/416330083.db2.gz IOIHDCILCKECRD-HIFRSBDPSA-N 1 1 321.421 0.321 50 0 DCAAMO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000408093321 417139695 /nfs/dbraw/zinc/13/96/95/417139695.db2.gz OBYSCACUJXYZJM-MYPMTAMASA-N 1 1 311.426 0.469 50 0 DCAAMO CCOC(C[N@@H+](CC)CCC(=O)N1CCN(C)CC1)OCC ZINC000408523321 417167920 /nfs/dbraw/zinc/16/79/20/417167920.db2.gz IREUCYUQFKSGLN-UHFFFAOYSA-N 1 1 315.458 0.872 50 0 DCAAMO CC[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735844 276657007 /nfs/dbraw/zinc/65/70/07/276657007.db2.gz CATPGLWVRHPARB-KBPBESRZSA-N 1 1 307.398 0.237 50 0 DCAAMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000072282374 300315954 /nfs/dbraw/zinc/31/59/54/300315954.db2.gz CXARFAHOHLXJRA-WCQYABFASA-N 1 1 323.418 0.643 50 0 DCAAMO Cn1ccnc1CN1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000534592188 334294598 /nfs/dbraw/zinc/29/45/98/334294598.db2.gz WQWLQGARHLPDSE-AWEZNQCLSA-N 1 1 320.441 0.342 50 0 DCAAMO COC[C@@H](C)NC(=O)c1cccc(-c2cc(N)nc(N)[nH+]2)c1 ZINC000534666977 334319110 /nfs/dbraw/zinc/31/91/10/334319110.db2.gz NSSBZJNLCDDSKM-SECBINFHSA-N 1 1 301.350 0.733 50 0 DCAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000133341886 337383116 /nfs/dbraw/zinc/38/31/16/337383116.db2.gz UBRKSYXNUPNDCD-OLZOCXBDSA-N 1 1 319.409 0.752 50 0 DCAAMO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000084442249 545700147 /nfs/dbraw/zinc/70/01/47/545700147.db2.gz XKFSGPAPYXTYEO-GHMZBOCLSA-N 1 1 302.421 0.890 50 0 DCAAMO O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000084442249 545700153 /nfs/dbraw/zinc/70/01/53/545700153.db2.gz XKFSGPAPYXTYEO-GHMZBOCLSA-N 1 1 302.421 0.890 50 0 DCAAMO CC[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735807 545701758 /nfs/dbraw/zinc/70/17/58/545701758.db2.gz MRAXWXQXBXPZCA-CABCVRRESA-N 1 1 321.425 0.628 50 0 DCAAMO CC[C@H]1CN(C(=O)COc2cc(C)on2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735868 545704175 /nfs/dbraw/zinc/70/41/75/545704175.db2.gz KBBMECRWZCALCI-KBPBESRZSA-N 1 1 323.393 0.931 50 0 DCAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)NCCCn2ccccc2=O)C1 ZINC000670467496 547100038 /nfs/dbraw/zinc/10/00/38/547100038.db2.gz UDIGVWRGMLTWAO-HNNXBMFYSA-N 1 1 321.421 0.854 50 0 DCAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCCC(=O)N2C)CC1 ZINC000169792845 664561708 /nfs/dbraw/zinc/56/17/08/664561708.db2.gz DIISHYPXRVODHB-HNNXBMFYSA-N 1 1 324.469 0.531 50 0 DCAAMO CN1CCN(C)[C@@H](CNC(=O)C2([NH+]3CCCC3)CCCC2)C1 ZINC000952986666 685602052 /nfs/dbraw/zinc/60/20/52/685602052.db2.gz JPQVEPFOIOBHKQ-HNNXBMFYSA-N 1 1 308.470 0.757 50 0 DCAAMO Cc1nc(C)n(C[C@H](C)c2nc(CN3CC[NH+](C)CC3)no2)n1 ZINC000067515000 685069708 /nfs/dbraw/zinc/06/97/08/685069708.db2.gz MEOIOHKWWFTKKC-NSHDSACASA-N 1 1 319.413 0.829 50 0 DCAAMO Cc1cc(=O)n(CC[N@H+](C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c(=O)[nH]1 ZINC001704303603 1179967036 /nfs/dbraw/zinc/96/70/36/1179967036.db2.gz LJYMNADXDNUNHL-FRRDWIJNSA-N 1 1 320.393 0.104 50 0 DCAAMO O=C1N[C@@H]2COC[C@H]1C[N@H+](C1CCN(Cc3ccco3)CC1)C2 ZINC001704305485 1179967848 /nfs/dbraw/zinc/96/78/48/1179967848.db2.gz KARWNCWOSJDTJY-KGLIPLIRSA-N 1 1 319.405 0.691 50 0 DCAAMO COc1cc(OC)nc(N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001704328694 1179973494 /nfs/dbraw/zinc/97/34/94/1179973494.db2.gz MXUXMNPHWRPSCE-MLGOLLRUSA-N 1 1 322.409 0.777 50 0 DCAAMO CCOc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[N@H+](C)C2 ZINC001704330324 1179975066 /nfs/dbraw/zinc/97/50/66/1179975066.db2.gz BFVYUOUKSNFMRU-OLZOCXBDSA-N 1 1 305.378 0.883 50 0 DCAAMO CCOc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+](C)C2 ZINC001704330324 1179975072 /nfs/dbraw/zinc/97/50/72/1179975072.db2.gz BFVYUOUKSNFMRU-OLZOCXBDSA-N 1 1 305.378 0.883 50 0 DCAAMO COc1cc(N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)nc(N)n1 ZINC001704337786 1179977556 /nfs/dbraw/zinc/97/75/56/1179977556.db2.gz ZMHZFEPKNGHFAE-IAQYHMDHSA-N 1 1 307.398 0.350 50 0 DCAAMO CS(=O)(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000824864457 758789192 /nfs/dbraw/zinc/78/91/92/758789192.db2.gz MDAPGAGIAGUYLD-OGVSOVDVSA-N 1 1 321.446 0.103 50 0 DCAAMO CS(=O)(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000824864457 758789199 /nfs/dbraw/zinc/78/91/99/758789199.db2.gz MDAPGAGIAGUYLD-OGVSOVDVSA-N 1 1 321.446 0.103 50 0 DCAAMO Cc1n[nH]c(C)c1CC(=O)NCCC[N@H+]1CCCC[C@@H]1CO ZINC000828710816 759071952 /nfs/dbraw/zinc/07/19/52/759071952.db2.gz JTABTZNFXVWWKM-CQSZACIVSA-N 1 1 308.426 0.922 50 0 DCAAMO Cn1ncc2c1nc(NCCC[N@H+]1CCCC[C@H]1CO)nc2N ZINC000828710842 759072801 /nfs/dbraw/zinc/07/28/01/759072801.db2.gz NNWWKEGADKWEBU-NSHDSACASA-N 1 1 319.413 0.594 50 0 DCAAMO CCc1nc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c[nH]1 ZINC000828710932 759073604 /nfs/dbraw/zinc/07/36/04/759073604.db2.gz PXSIWHPHMBCKCG-LLVKDONJSA-N 1 1 316.427 0.097 50 0 DCAAMO CCc1nc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2CO)c[nH]1 ZINC000828710932 759073613 /nfs/dbraw/zinc/07/36/13/759073613.db2.gz PXSIWHPHMBCKCG-LLVKDONJSA-N 1 1 316.427 0.097 50 0 DCAAMO CC1(C)CC([N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)CC(C)(C)[NH2+]1 ZINC000828896815 759119579 /nfs/dbraw/zinc/11/95/79/759119579.db2.gz XBJPBYRQBAAMLA-GJZGRUSLSA-N 1 1 311.470 0.673 50 0 DCAAMO CC1(C)CC(N2C[C@H](O)[C@@H](N3CCOCC3)C2)CC(C)(C)[NH2+]1 ZINC000828896815 759119584 /nfs/dbraw/zinc/11/95/84/759119584.db2.gz XBJPBYRQBAAMLA-GJZGRUSLSA-N 1 1 311.470 0.673 50 0 DCAAMO Cc1noc([C@@H]2C[N@H+](C[C@H]3CCCCN(C)C3=O)CCN2C)n1 ZINC000585117435 766286776 /nfs/dbraw/zinc/28/67/76/766286776.db2.gz CMIKZBJLEPBZOJ-KGLIPLIRSA-N 1 1 321.425 0.925 50 0 DCAAMO C[N@H+]1CCCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 ZINC001529113389 1014498796 /nfs/dbraw/zinc/49/87/96/1014498796.db2.gz XUYMSYLNWXFDPJ-CVEARBPZSA-N 1 1 317.389 0.407 50 0 DCAAMO COCC[N@H+]1CC[C@H](CN(C)c2cc3nncn3c(N)n2)C1 ZINC001506402072 1017256103 /nfs/dbraw/zinc/25/61/03/1017256103.db2.gz IHPRRADKISUIIQ-LLVKDONJSA-N 1 1 305.386 0.111 50 0 DCAAMO Cn1ccnc1-c1ccc(NC[C@H]2C[N@@H+](C)CCN2C)nn1 ZINC001506417788 1017264111 /nfs/dbraw/zinc/26/41/11/1017264111.db2.gz LDMZJMQXSBFDPZ-LBPRGKRZSA-N 1 1 301.398 0.535 50 0 DCAAMO COCc1noc(CCNC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000095512738 185376342 /nfs/dbraw/zinc/37/63/42/185376342.db2.gz XXNOFZVKPOQORL-GFCCVEGCSA-N 1 1 310.398 0.995 50 0 DCAAMO O=C(CCc1nc2ccccc2o1)N1CC[NH+](CCO)CC1 ZINC000078958551 185135913 /nfs/dbraw/zinc/13/59/13/185135913.db2.gz DPMPSAYYPVARJK-UHFFFAOYSA-N 1 1 303.362 0.897 50 0 DCAAMO Cc1[nH+]ccn1-c1cncc(N2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000097142341 282199346 /nfs/dbraw/zinc/19/93/46/282199346.db2.gz TWLHCCUXDNNZDY-JTQLQIEISA-N 1 1 307.379 0.594 50 0 DCAAMO O=S1(=O)C[C@H](N2CCCCC2)[C@H]([NH2+]Cc2cccnc2)C1 ZINC000095397266 185353165 /nfs/dbraw/zinc/35/31/65/185353165.db2.gz PMZZPORAZFMCFH-CABCVRRESA-N 1 1 309.435 0.823 50 0 DCAAMO COCC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)C2(O)CCC2)C1 ZINC000095449511 185368347 /nfs/dbraw/zinc/36/83/47/185368347.db2.gz UAONZMFYGXVXRX-NSHDSACASA-N 1 1 306.353 0.764 50 0 DCAAMO COCC[N@H+]1CCC[C@H](NC(=O)C(F)(F)C2(O)CCC2)C1 ZINC000095449511 185368348 /nfs/dbraw/zinc/36/83/48/185368348.db2.gz UAONZMFYGXVXRX-NSHDSACASA-N 1 1 306.353 0.764 50 0 DCAAMO O=C(NCCc1nc2c(s1)CCC2)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072477312 191178864 /nfs/dbraw/zinc/17/88/64/191178864.db2.gz JPJNJGUOXDXJSO-AWEZNQCLSA-N 1 1 317.418 0.901 50 0 DCAAMO CC(C)[C@H]1C[N@@H+](Cc2cccnc2N)C[C@@H]1NC(=O)CCO ZINC000091351165 193044826 /nfs/dbraw/zinc/04/48/26/193044826.db2.gz 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ZINC000091620309 193080969 /nfs/dbraw/zinc/08/09/69/193080969.db2.gz XQPPWRSKXDHZGH-INIZCTEOSA-N 1 1 320.393 0.754 50 0 DCAAMO Cc1ccc[nH+]c1NCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000091756844 193102905 /nfs/dbraw/zinc/10/29/05/193102905.db2.gz HUSWAFOVLFHBPE-LBPRGKRZSA-N 1 1 302.378 0.929 50 0 DCAAMO C[N@@H+](CCO)C[C@@H]1CN(c2ncnc3sccc32)C[C@@H]1CO ZINC000091849256 193118218 /nfs/dbraw/zinc/11/82/18/193118218.db2.gz OUQOANWNICFVTL-VXGBXAGGSA-N 1 1 322.434 0.660 50 0 DCAAMO Cc1nc[nH]c1C(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000092022823 193143429 /nfs/dbraw/zinc/14/34/29/193143429.db2.gz UHXCVDLGOJZGPN-HNNXBMFYSA-N 1 1 305.382 0.145 50 0 DCAAMO COc1ccc(C)cc1NC(=O)CC[NH+]1CCN(CCO)CC1 ZINC000019841619 182155581 /nfs/dbraw/zinc/15/55/81/182155581.db2.gz SKMSAZWNQMRDOU-UHFFFAOYSA-N 1 1 321.421 0.942 50 0 DCAAMO O=C(CC[NH+]1CCOCC1)NC[C@@H]1COc2ccccc2O1 ZINC000020033382 182182333 /nfs/dbraw/zinc/18/23/33/182182333.db2.gz QYWMZEWUJPUDIM-CYBMUJFWSA-N 1 1 306.362 0.665 50 0 DCAAMO Cc1ccn(CCn2ncc(N3CCC[N@H+](C)CC3)cc2=O)n1 ZINC000020661272 182242283 /nfs/dbraw/zinc/24/22/83/182242283.db2.gz SAXSNIJKWJIILG-UHFFFAOYSA-N 1 1 316.409 0.590 50 0 DCAAMO COc1cccc(OCCOC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000022466221 182323165 /nfs/dbraw/zinc/32/31/65/182323165.db2.gz VHZGCYXOTSJNQD-HNNXBMFYSA-N 1 1 324.421 0.699 50 0 DCAAMO CNC(=O)C1CC[NH+]([C@H](C(=O)NC(N)=O)c2ccccc2)CC1 ZINC000024781915 182390638 /nfs/dbraw/zinc/39/06/38/182390638.db2.gz WAQLILBBKHHBAZ-ZDUSSCGKSA-N 1 1 318.377 0.381 50 0 DCAAMO O=C(CCn1c(=O)oc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000038984010 183013511 /nfs/dbraw/zinc/01/35/11/183013511.db2.gz XJLSXZOOHKSCEY-UHFFFAOYSA-N 1 1 319.361 0.121 50 0 DCAAMO CC[C@@](C)(CNC(=O)Cn1ccccc1=O)[NH+]1CCOCC1 ZINC000040089361 183032635 /nfs/dbraw/zinc/03/26/35/183032635.db2.gz YEKIQKAYOWVLMY-INIZCTEOSA-N 1 1 307.394 0.465 50 0 DCAAMO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000040459274 183069941 /nfs/dbraw/zinc/06/99/41/183069941.db2.gz CUQYVDZAWARQTN-CABCVRRESA-N 1 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/nfs/dbraw/zinc/33/35/09/184333509.db2.gz WZMLIFVMJGLCRA-NSHDSACASA-N 1 1 303.370 0.314 50 0 DCAAMO C[N@H+]1C[C@H](NC(=O)CCNC(=O)c2ccc(F)cc2)C[C@H]1CO ZINC000065393980 184334748 /nfs/dbraw/zinc/33/47/48/184334748.db2.gz JZSCZAYQXHLUFO-KGLIPLIRSA-N 1 1 323.368 0.127 50 0 DCAAMO CCn1c(=O)c(C(=O)N2CC[NH+](C)CC2)nc2cccnc21 ZINC000065282716 184320802 /nfs/dbraw/zinc/32/08/02/184320802.db2.gz CZEFTYXVZCYZQU-UHFFFAOYSA-N 1 1 301.350 0.199 50 0 DCAAMO CCN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000065395317 184335431 /nfs/dbraw/zinc/33/54/31/184335431.db2.gz DOXXIFIEXOYLII-CYBMUJFWSA-N 1 1 321.425 0.368 50 0 DCAAMO CCN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000065395317 184335433 /nfs/dbraw/zinc/33/54/33/184335433.db2.gz DOXXIFIEXOYLII-CYBMUJFWSA-N 1 1 321.425 0.368 50 0 DCAAMO CC[N@@H+]1CCc2ncnc(N(C)CC(=O)NCCOC)c2C1 ZINC000065584947 184368697 /nfs/dbraw/zinc/36/86/97/184368697.db2.gz CGZSRWXYFVMIQG-UHFFFAOYSA-N 1 1 307.398 0.053 50 0 DCAAMO CC[N@H+]1CCc2ncnc(N(C)CC(=O)NCCOC)c2C1 ZINC000065584947 184368699 /nfs/dbraw/zinc/36/86/99/184368699.db2.gz CGZSRWXYFVMIQG-UHFFFAOYSA-N 1 1 307.398 0.053 50 0 DCAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCNC(=O)C1 ZINC000065520133 184358516 /nfs/dbraw/zinc/35/85/16/184358516.db2.gz VZUONVOHXJTNGO-CQSZACIVSA-N 1 1 305.353 0.921 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCNC(=O)C1 ZINC000065520133 184358517 /nfs/dbraw/zinc/35/85/17/184358517.db2.gz VZUONVOHXJTNGO-CQSZACIVSA-N 1 1 305.353 0.921 50 0 DCAAMO C[C@@H](C(=O)NCCCNc1cccnc1)N1CC[NH+](C)CC1 ZINC000426514667 257247476 /nfs/dbraw/zinc/24/74/76/257247476.db2.gz OEHKHRDHFHQZAM-AWEZNQCLSA-N 1 1 305.426 0.636 50 0 DCAAMO C[N@@H+]1CCN(C(=O)Cc2nc3ccccc3[nH]2)C[C@H]1CCO ZINC000426503632 257248247 /nfs/dbraw/zinc/24/82/47/257248247.db2.gz XKFFPWQMDVLOML-GFCCVEGCSA-N 1 1 302.378 0.630 50 0 DCAAMO C[N@H+]1CCN(C(=O)Cc2nc3ccccc3[nH]2)C[C@H]1CCO ZINC000426503632 257248249 /nfs/dbraw/zinc/24/82/49/257248249.db2.gz 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CN(C)C(=O)[C@H]1CCC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000032778045 395713165 /nfs/dbraw/zinc/71/31/65/395713165.db2.gz UXBUNIPBHXZDQM-GFCCVEGCSA-N 1 1 303.366 0.049 50 0 DCAAMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCn1nc2ccccn2c1=O ZINC000032778045 395713169 /nfs/dbraw/zinc/71/31/69/395713169.db2.gz UXBUNIPBHXZDQM-GFCCVEGCSA-N 1 1 303.366 0.049 50 0 DCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000089938103 395717000 /nfs/dbraw/zinc/71/70/00/395717000.db2.gz ICSHNYNSXRCEFJ-NSHDSACASA-N 1 1 316.361 0.265 50 0 DCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000089938103 395717002 /nfs/dbraw/zinc/71/70/02/395717002.db2.gz ICSHNYNSXRCEFJ-NSHDSACASA-N 1 1 316.361 0.265 50 0 DCAAMO CCCNC(=O)CN1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000028914628 395696357 /nfs/dbraw/zinc/69/63/57/395696357.db2.gz NFGPVBLABCHCNX-CYBMUJFWSA-N 1 1 311.451 0.925 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCN(c2ccccc2)CC1 ZINC000039514920 395732182 /nfs/dbraw/zinc/73/21/82/395732182.db2.gz 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395755307 /nfs/dbraw/zinc/75/53/07/395755307.db2.gz ORGCGZRHJXMOOC-MRXNPFEDSA-N 1 1 314.389 0.835 50 0 DCAAMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2nccn(C)c2=O)C1 ZINC000097375156 395757436 /nfs/dbraw/zinc/75/74/36/395757436.db2.gz FOAFFPAUSKXQFU-GFCCVEGCSA-N 1 1 307.398 0.976 50 0 DCAAMO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCO)CC3)C2=O)cc1 ZINC000100619696 395763184 /nfs/dbraw/zinc/76/31/84/395763184.db2.gz CQNYQDHUXMAVOX-HNNXBMFYSA-N 1 1 317.389 0.237 50 0 DCAAMO O=C(CCCn1cncn1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000111663574 395811188 /nfs/dbraw/zinc/81/11/88/395811188.db2.gz WGXJWHRYPNAPBB-HNNXBMFYSA-N 1 1 321.425 0.772 50 0 DCAAMO Cc1nc(CC2CCN(C(=O)C[N@H+]3CCC[C@H](O)C3)CC2)no1 ZINC000220598140 395849513 /nfs/dbraw/zinc/84/95/13/395849513.db2.gz YYGDWQLKRMQFDN-AWEZNQCLSA-N 1 1 322.409 0.616 50 0 DCAAMO Cc1nnc(CN(C)C(=O)CC[C@H](C)N2CC[NH+](C)CC2)o1 ZINC000221223023 395850246 /nfs/dbraw/zinc/85/02/46/395850246.db2.gz IBDGTHTVOFQMQR-LBPRGKRZSA-N 1 1 309.414 0.753 50 0 DCAAMO COCC[N@@H+](C)C[C@H]1CCCN1c1cn[nH]c(=O)c1Cl ZINC000225506415 395861759 /nfs/dbraw/zinc/86/17/59/395861759.db2.gz VXWOIECKQHIJFU-SNVBAGLBSA-N 1 1 300.790 0.970 50 0 DCAAMO NC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000052942575 395873640 /nfs/dbraw/zinc/87/36/40/395873640.db2.gz MIAJHDXMCCTJRD-AAEUAGOBSA-N 1 1 303.362 0.434 50 0 DCAAMO Cc1nc(NCCNC(=O)C(C)C)cc(N2CCOCC2)[nH+]1 ZINC000067601830 396029464 /nfs/dbraw/zinc/02/94/64/396029464.db2.gz XIENONAIXROVNQ-UHFFFAOYSA-N 1 1 307.398 0.806 50 0 DCAAMO CC(C)c1nccc(C[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC000067770622 396033434 /nfs/dbraw/zinc/03/34/34/396033434.db2.gz JVAVOLMGGBGBNZ-LBPRGKRZSA-N 1 1 312.439 0.971 50 0 DCAAMO CC(C)c1nccc(C[N@H+]2CC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC000067770622 396033437 /nfs/dbraw/zinc/03/34/37/396033437.db2.gz JVAVOLMGGBGBNZ-LBPRGKRZSA-N 1 1 312.439 0.971 50 0 DCAAMO COc1ccc(C(=O)NCc2nn(C)c3c2C[N@H+](C)CC3)cn1 ZINC000257176935 396034303 /nfs/dbraw/zinc/03/43/03/396034303.db2.gz VDJOSCUVUNOBJR-UHFFFAOYSA-N 1 1 315.377 0.742 50 0 DCAAMO COc1ccc(C(=O)NCc2nn(C)c3c2C[N@@H+](C)CC3)cn1 ZINC000257176935 396034307 /nfs/dbraw/zinc/03/43/07/396034307.db2.gz VDJOSCUVUNOBJR-UHFFFAOYSA-N 1 1 315.377 0.742 50 0 DCAAMO C[NH2+][C@H]1CCCN(CC2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000261850251 396072595 /nfs/dbraw/zinc/07/25/95/396072595.db2.gz XWRGSITZKPIBLW-NSHDSACASA-N 1 1 308.407 0.692 50 0 DCAAMO Cn1cc(C(=O)NCC2CC[NH+](Cc3ncccn3)CC2)cn1 ZINC000252489940 396021182 /nfs/dbraw/zinc/02/11/82/396021182.db2.gz KFDYVOPNICBIIG-UHFFFAOYSA-N 1 1 314.393 0.852 50 0 DCAAMO O=C(CCN1CC[NH+](CCO)CC1)NCCc1ccccc1 ZINC000069656377 396086016 /nfs/dbraw/zinc/08/60/16/396086016.db2.gz PYJGAFRWCZWFDZ-UHFFFAOYSA-N 1 1 305.422 0.345 50 0 DCAAMO C[C@H](C(=O)N1CCc2sccc2C1)N1CC[NH+](CCO)CC1 ZINC000069924075 396095111 /nfs/dbraw/zinc/09/51/11/396095111.db2.gz QYGQTEWVJOANBU-CYBMUJFWSA-N 1 1 323.462 0.631 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000070015584 396097988 /nfs/dbraw/zinc/09/79/88/396097988.db2.gz QOHOXMHULABZFG-LBPRGKRZSA-N 1 1 301.416 0.024 50 0 DCAAMO CCC(=O)N1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000071817069 396116245 /nfs/dbraw/zinc/11/62/45/396116245.db2.gz GFARUYMATVWDRA-UHFFFAOYSA-N 1 1 324.425 0.651 50 0 DCAAMO CC(C)[N@H+](Cc1cnn(C)c1)Cc1cc(=O)n(C)c(=O)n1C ZINC000071818448 396116377 /nfs/dbraw/zinc/11/63/77/396116377.db2.gz RIBUCSWQMKSGKB-UHFFFAOYSA-N 1 1 305.382 0.228 50 0 DCAAMO CC(C)[N@@H+](Cc1cnn(C)c1)Cc1cc(=O)n(C)c(=O)n1C ZINC000071818448 396116378 /nfs/dbraw/zinc/11/63/78/396116378.db2.gz RIBUCSWQMKSGKB-UHFFFAOYSA-N 1 1 305.382 0.228 50 0 DCAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2Cn2cccn2)C[C@H](C)O1 ZINC000071875537 396120146 /nfs/dbraw/zinc/12/01/46/396120146.db2.gz ZQUQDFXKUSWTAW-QLFBSQMISA-N 1 1 306.410 0.983 50 0 DCAAMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000071871022 396120168 /nfs/dbraw/zinc/12/01/68/396120168.db2.gz ACEAXEZHTARIKF-JTQLQIEISA-N 1 1 320.315 0.427 50 0 DCAAMO CC(=O)N1CCC[C@H](S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000072287945 396129873 /nfs/dbraw/zinc/12/98/73/396129873.db2.gz FUUURUZFUUCUOH-KGLIPLIRSA-N 1 1 315.439 0.107 50 0 DCAAMO CCc1onc(C)c1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262407021 396136702 /nfs/dbraw/zinc/13/67/02/396136702.db2.gz QGASWVQJVOCAER-LBPRGKRZSA-N 1 1 320.393 0.582 50 0 DCAAMO O=C(c1ccc(=O)[nH]n1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000069326502 396074759 /nfs/dbraw/zinc/07/47/59/396074759.db2.gz WPRKZFQOPVRWDK-LBPRGKRZSA-N 1 1 306.366 0.509 50 0 DCAAMO C[C@@H]1C[NH+](C[C@H](O)CN2CCc3cncnc3C2)C[C@@H](C)O1 ZINC000069626603 396085242 /nfs/dbraw/zinc/08/52/42/396085242.db2.gz LGNGDBSFWFBMTA-UMVBOHGHSA-N 1 1 306.410 0.305 50 0 DCAAMO CCn1cc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cn1 ZINC000076058698 396195152 /nfs/dbraw/zinc/19/51/52/396195152.db2.gz HSYBLVFYODAFGQ-WCQYABFASA-N 1 1 300.428 0.910 50 0 DCAAMO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H](C)S1 ZINC000076087030 396195784 /nfs/dbraw/zinc/19/57/84/396195784.db2.gz COGPWVPAVZTIRY-JHJVBQTASA-N 1 1 300.472 0.768 50 0 DCAAMO C[C@@]1([C@@H]2CCC[N@@H+](CCc3ccncc3)C2)NC(=O)NC1=O ZINC000076059287 396195832 /nfs/dbraw/zinc/19/58/32/396195832.db2.gz FFRUIKUBULLSJD-CJNGLKHVSA-N 1 1 302.378 0.934 50 0 DCAAMO Cc1ccsc1[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)N(C)C ZINC000077470366 396223315 /nfs/dbraw/zinc/22/33/15/396223315.db2.gz OBWKPZMTGWWGFF-GFCCVEGCSA-N 1 1 322.438 0.639 50 0 DCAAMO COc1cccc2ncn(C[C@@H]3C[N@H+](C)CCN3C)c(=O)c21 ZINC000584891906 396634018 /nfs/dbraw/zinc/63/40/18/396634018.db2.gz JWVBENNNBDPYLF-LBPRGKRZSA-N 1 1 302.378 0.651 50 0 DCAAMO COc1cccc2ncn(C[C@@H]3C[N@@H+](C)CCN3C)c(=O)c21 ZINC000584891906 396634021 /nfs/dbraw/zinc/63/40/21/396634021.db2.gz JWVBENNNBDPYLF-LBPRGKRZSA-N 1 1 302.378 0.651 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@H+]([C@@H]3C[C@@H](C)OC3=O)C[C@H]2C)CC1 ZINC000299754217 396713861 /nfs/dbraw/zinc/71/38/61/396713861.db2.gz UFRNUGDXTIYKQJ-QHSBEEBCSA-N 1 1 309.410 0.175 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H]3C[C@@H](C)OC3=O)C[C@H]2C)CC1 ZINC000299754217 396713864 /nfs/dbraw/zinc/71/38/64/396713864.db2.gz UFRNUGDXTIYKQJ-QHSBEEBCSA-N 1 1 309.410 0.175 50 0 DCAAMO CC(=O)N1CC[NH+]([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)C[C@H]2C)CC1 ZINC000299754217 396713869 /nfs/dbraw/zinc/71/38/69/396713869.db2.gz UFRNUGDXTIYKQJ-QHSBEEBCSA-N 1 1 309.410 0.175 50 0 DCAAMO C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@H]1C(N)=O ZINC000408473887 160116336 /nfs/dbraw/zinc/11/63/36/160116336.db2.gz PJLCQUITLDNZEQ-TZMCWYRMSA-N 1 1 319.405 0.707 50 0 DCAAMO C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3C)n(C)c1=O ZINC000010337034 415150340 /nfs/dbraw/zinc/15/03/40/415150340.db2.gz MGDXCEOKRMNPEJ-VQCYPWCPSA-N 1 1 316.365 0.860 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000044344543 415219532 /nfs/dbraw/zinc/21/95/32/415219532.db2.gz VEKMBMPOUMPJTB-CHWSQXEVSA-N 1 1 317.455 0.259 50 0 DCAAMO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](CC(N)=O)CC2)o1 ZINC000048060596 415283988 /nfs/dbraw/zinc/28/39/88/415283988.db2.gz GATGAFAVZIPEIT-LLVKDONJSA-N 1 1 308.382 0.898 50 0 DCAAMO O[C@@H](CNc1ccc2nncn2n1)C[N@H+]1CCc2ccccc2C1 ZINC000044978668 415237940 /nfs/dbraw/zinc/23/79/40/415237940.db2.gz ZFTJYERATNCALL-HNNXBMFYSA-N 1 1 324.388 0.955 50 0 DCAAMO C[C@H](CN1CCOCC1)NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000044949299 415238906 /nfs/dbraw/zinc/23/89/06/415238906.db2.gz CBLDOLYUEWSAHL-KGLIPLIRSA-N 1 1 324.425 0.902 50 0 DCAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000044907694 415231218 /nfs/dbraw/zinc/23/12/18/415231218.db2.gz VMYYGCDAAAXYGK-UHFFFAOYSA-N 1 1 318.352 0.987 50 0 DCAAMO C[C@@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CCCC2)NC(=S)N1 ZINC000067804933 415385398 /nfs/dbraw/zinc/38/53/98/415385398.db2.gz SEEMHZDTCIAHHD-YPMHNXCESA-N 1 1 312.483 0.944 50 0 DCAAMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000067885397 415390842 /nfs/dbraw/zinc/39/08/42/415390842.db2.gz QTKBWGPRNGUOKH-GFCCVEGCSA-N 1 1 312.373 0.658 50 0 DCAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@@H]1C ZINC000075129330 415439534 /nfs/dbraw/zinc/43/95/34/415439534.db2.gz YMBKNRDJKVHOFV-QWHCGFSZSA-N 1 1 309.454 0.678 50 0 DCAAMO O=C(c1cc2ccccc2c(=O)[nH]1)N1CC[NH+](CCO)CC1 ZINC000075572144 415448302 /nfs/dbraw/zinc/44/83/02/415448302.db2.gz IVYDIGAWBYGFCJ-UHFFFAOYSA-N 1 1 301.346 0.278 50 0 DCAAMO C[C@@H](C(=O)N1CCC[C@H]1Cn1cccn1)N1CC[NH+](C)CC1 ZINC000095364974 415551669 /nfs/dbraw/zinc/55/16/69/415551669.db2.gz SVHMWPKVSMIIEJ-GJZGRUSLSA-N 1 1 305.426 0.510 50 0 DCAAMO C[C@@H]1C[NH+](C[C@@H](O)Cn2cnc3sccc3c2=O)C[C@@H](C)O1 ZINC000106830537 415649642 /nfs/dbraw/zinc/64/96/42/415649642.db2.gz GSTXRNABKYSWEI-IJLUTSLNSA-N 1 1 323.418 0.928 50 0 DCAAMO Cn1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cn1 ZINC000097081781 415580940 /nfs/dbraw/zinc/58/09/40/415580940.db2.gz DERMMDJLRFBIRI-MRXNPFEDSA-N 1 1 314.389 0.917 50 0 DCAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)N1 ZINC000107580503 415668466 /nfs/dbraw/zinc/66/84/66/415668466.db2.gz XEMVDFRYCLXKJJ-HUUCEWRRSA-N 1 1 316.405 0.696 50 0 DCAAMO CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[N@H+](C)C[C@@H]1C ZINC000107580855 415669296 /nfs/dbraw/zinc/66/92/96/415669296.db2.gz OPGKQUVANHPCDW-GXTWGEPZSA-N 1 1 304.394 0.819 50 0 DCAAMO CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[N@@H+](C)C[C@@H]1C ZINC000107580855 415669300 /nfs/dbraw/zinc/66/93/00/415669300.db2.gz OPGKQUVANHPCDW-GXTWGEPZSA-N 1 1 304.394 0.819 50 0 DCAAMO CNC(=O)Cc1cccc(NC(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)c1 ZINC000299787034 416069749 /nfs/dbraw/zinc/06/97/49/416069749.db2.gz OWMURBDDYCMWCR-KGLIPLIRSA-N 1 1 320.393 0.162 50 0 DCAAMO Cc1ncc(C(=O)NCC2(CN3CC[NH+](C)CC3)CC2)cn1 ZINC000299802353 416070768 /nfs/dbraw/zinc/07/07/68/416070768.db2.gz KWTVFIQASHGSRN-UHFFFAOYSA-N 1 1 303.410 0.542 50 0 DCAAMO Cc1nn(CCO)cc1C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000216355142 416327326 /nfs/dbraw/zinc/32/73/26/416327326.db2.gz FBHWJJGVPPNIKJ-HNNXBMFYSA-N 1 1 322.409 0.007 50 0 DCAAMO Cc1nn(CCO)cc1C[N@H+]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000216355142 416327327 /nfs/dbraw/zinc/32/73/27/416327327.db2.gz FBHWJJGVPPNIKJ-HNNXBMFYSA-N 1 1 322.409 0.007 50 0 DCAAMO OC1CN(c2nc(NC3CCCC3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426594765 416779019 /nfs/dbraw/zinc/77/90/19/416779019.db2.gz BUUBLSSGDQTCAS-NSHDSACASA-N 1 1 304.394 1.516 50 0 DCAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000044975409 277246960 /nfs/dbraw/zinc/24/69/60/277246960.db2.gz STSUXZNYKFNJBX-HOTGVXAUSA-N 1 1 314.389 0.417 50 0 DCAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)Cn1cccn1 ZINC000044975409 277246962 /nfs/dbraw/zinc/24/69/62/277246962.db2.gz STSUXZNYKFNJBX-HOTGVXAUSA-N 1 1 314.389 0.417 50 0 DCAAMO C[NH+]1CCN(CC2(CNC(=O)C[C@@H]3CCCOC3)CC2)CC1 ZINC000534593063 334294985 /nfs/dbraw/zinc/29/49/85/334294985.db2.gz JLJMAGJTBJJXRG-HNNXBMFYSA-N 1 1 309.454 0.947 50 0 DCAAMO CC(C)[C@H](NC(=O)N1CC[NH+](CCCO)CC1)c1nccn1C ZINC000534633018 334308253 /nfs/dbraw/zinc/30/82/53/334308253.db2.gz BPQXLZJLVMSEHG-AWEZNQCLSA-N 1 1 323.441 0.827 50 0 DCAAMO CO[C@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000534673852 334321456 /nfs/dbraw/zinc/32/14/56/334321456.db2.gz ANXWVCXSSDZQRX-STQMWFEESA-N 1 1 302.371 0.741 50 0 DCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000534673852 334321457 /nfs/dbraw/zinc/32/14/57/334321457.db2.gz ANXWVCXSSDZQRX-STQMWFEESA-N 1 1 302.371 0.741 50 0 DCAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@H]2Cn2cncn2)C[C@H](C)O1 ZINC000257365392 545976101 /nfs/dbraw/zinc/97/61/01/545976101.db2.gz XIIDOIAPWHAMKG-FZKCQIBNSA-N 1 1 323.441 0.213 50 0 DCAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)C1(Cn2ccnc2)CC1 ZINC000670452555 547096495 /nfs/dbraw/zinc/09/64/95/547096495.db2.gz HVEIHSQDBFWBPT-CQSZACIVSA-N 1 1 306.410 0.484 50 0 DCAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000670468741 547099900 /nfs/dbraw/zinc/09/99/00/547099900.db2.gz WNFGCTIBFVPLSE-GFCCVEGCSA-N 1 1 323.359 0.661 50 0 DCAAMO COc1cccc(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)c1F ZINC000888100047 661180160 /nfs/dbraw/zinc/18/01/60/661180160.db2.gz ZXRYKTYBOAFQGP-UHFFFAOYSA-N 1 1 307.325 0.522 50 0 DCAAMO C=CCOC[C@@H](O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000043737040 658729613 /nfs/dbraw/zinc/72/96/13/658729613.db2.gz HETZRKDPACLXIP-ILXRZTDVSA-N 1 1 304.390 0.831 50 0 DCAAMO Nc1ccncc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261743998 661606712 /nfs/dbraw/zinc/60/67/12/661606712.db2.gz DVIFHVSDMGRTJM-NSHDSACASA-N 1 1 317.315 0.230 50 0 DCAAMO Cc1nccc([C@H]2CCC[N@@H+](CCS(=O)(=O)N(C)C)C2)n1 ZINC000585081719 666170682 /nfs/dbraw/zinc/17/06/82/666170682.db2.gz MPZIZRCIPBAGKF-ZDUSSCGKSA-N 1 1 312.439 0.856 50 0 DCAAMO Cc1nccc([C@H]2CCC[N@H+](CCS(=O)(=O)N(C)C)C2)n1 ZINC000585081719 666170683 /nfs/dbraw/zinc/17/06/83/666170683.db2.gz MPZIZRCIPBAGKF-ZDUSSCGKSA-N 1 1 312.439 0.856 50 0 DCAAMO Cn1ncc2c1nc(NCCC[N@H+]1CCC[C@H](O)C1)nc2N ZINC000952970311 685599042 /nfs/dbraw/zinc/59/90/42/685599042.db2.gz HZKNXLQPXUAPIZ-JTQLQIEISA-N 1 1 305.386 0.204 50 0 DCAAMO 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COc1ccccc1CC(=O)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072146787 191052434 /nfs/dbraw/zinc/05/24/34/191052434.db2.gz DUECCRNXJPCLOK-AWEZNQCLSA-N 1 1 317.389 0.317 50 0 DCAAMO Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1C(N)=O ZINC000072277708 191098917 /nfs/dbraw/zinc/09/89/17/191098917.db2.gz AZUKEQATOMKEIY-GFCCVEGCSA-N 1 1 323.418 0.563 50 0 DCAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)CC1 ZINC000072411749 191154062 /nfs/dbraw/zinc/15/40/62/191154062.db2.gz PACCTTZXPYRQIP-CYBMUJFWSA-N 1 1 317.455 0.212 50 0 DCAAMO Cc1nn(C)c2nc(C)nc(N[C@H]3C[C@H]4C[N@@H+](C)CCN4C3)c12 ZINC000072429140 191163085 /nfs/dbraw/zinc/16/30/85/191163085.db2.gz VRXTZIVRDOEVTK-STQMWFEESA-N 1 1 315.425 0.780 50 0 DCAAMO Cc1nn(C)c2nc(C)nc(N[C@H]3C[C@H]4CN(C)CC[N@@H+]4C3)c12 ZINC000072429140 191163086 /nfs/dbraw/zinc/16/30/86/191163086.db2.gz VRXTZIVRDOEVTK-STQMWFEESA-N 1 1 315.425 0.780 50 0 DCAAMO Cc1nn(C)c2nc(C)nc(N[C@H]3C[C@H]4CN(C)CC[N@H+]4C3)c12 ZINC000072429140 191163089 /nfs/dbraw/zinc/16/30/89/191163089.db2.gz VRXTZIVRDOEVTK-STQMWFEESA-N 1 1 315.425 0.780 50 0 DCAAMO CN(C)c1ncc(CN2CCC([N@H+]3CCC[C@@H](O)C3)CC2)cn1 ZINC000072473542 191175885 /nfs/dbraw/zinc/17/58/85/191175885.db2.gz MRAFGJADOQUYMN-MRXNPFEDSA-N 1 1 319.453 0.964 50 0 DCAAMO CN(Cc1[nH]nc2c1CCC2)C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072473943 191177098 /nfs/dbraw/zinc/17/70/98/191177098.db2.gz MKJQHLCEKVOLKL-CQSZACIVSA-N 1 1 300.366 0.467 50 0 DCAAMO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000237165729 202173715 /nfs/dbraw/zinc/17/37/15/202173715.db2.gz DLYZPNWXGMGDFI-OAHLLOKOSA-N 1 1 319.405 0.470 50 0 DCAAMO CC(C)c1noc(C[N@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091503776 193065646 /nfs/dbraw/zinc/06/56/46/193065646.db2.gz NHVPSQYAVASWRA-INIZCTEOSA-N 1 1 322.409 1.000 50 0 DCAAMO Cc1ccc(N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)nn1 ZINC000091656402 193085700 /nfs/dbraw/zinc/08/57/00/193085700.db2.gz OXQWUJOTACESIN-HZPDHXFCSA-N 1 1 319.453 0.467 50 0 DCAAMO 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/nfs/dbraw/zinc/22/47/93/183224793.db2.gz JYMYBBUGBZJJAL-UHFFFAOYSA-N 1 1 314.393 0.716 50 0 DCAAMO O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000042871320 183315927 /nfs/dbraw/zinc/31/59/27/183315927.db2.gz LIFJZSOGDWJKGI-WOPDTQHZSA-N 1 1 301.412 0.100 50 0 DCAAMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCNC(=O)C1 ZINC000057139045 184027943 /nfs/dbraw/zinc/02/79/43/184027943.db2.gz KRSNWSUSYFBCFO-HNNXBMFYSA-N 1 1 301.390 0.857 50 0 DCAAMO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)C(N)=O ZINC000058412679 184115018 /nfs/dbraw/zinc/11/50/18/184115018.db2.gz DAWJTKACCUHVQH-LLVKDONJSA-N 1 1 309.414 0.344 50 0 DCAAMO CN(C)c1ncnc2c1C[N@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC000065453746 184346755 /nfs/dbraw/zinc/34/67/55/184346755.db2.gz RKZDKUIWAPXBIW-GFCCVEGCSA-N 1 1 302.382 0.158 50 0 DCAAMO CN(C)c1ncnc2c1C[N@@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC000065453746 184346757 /nfs/dbraw/zinc/34/67/57/184346757.db2.gz RKZDKUIWAPXBIW-GFCCVEGCSA-N 1 1 302.382 0.158 50 0 DCAAMO 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CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000375622952 396782377 /nfs/dbraw/zinc/78/23/77/396782377.db2.gz DGCXYBYQLXWQGX-DTWKUNHWSA-N 1 1 304.334 0.313 50 0 DCAAMO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCCN(Cc2ccccc2)CC1 ZINC000324023191 159013479 /nfs/dbraw/zinc/01/34/79/159013479.db2.gz OANPCIQPGQVNNM-HOTGVXAUSA-N 1 1 303.406 0.444 50 0 DCAAMO CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000012432541 415149593 /nfs/dbraw/zinc/14/95/93/415149593.db2.gz VYUSYKFDTGTFPC-ZDUSSCGKSA-N 1 1 311.426 0.254 50 0 DCAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1ccccn1 ZINC000045536682 415247716 /nfs/dbraw/zinc/24/77/16/415247716.db2.gz BHWYUCRGXJFAEW-UONOGXRCSA-N 1 1 320.393 0.940 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)CCNCC(F)(F)F)CC1 ZINC000070003977 415406947 /nfs/dbraw/zinc/40/69/47/415406947.db2.gz DTCGZFJCOBJXCC-NSHDSACASA-N 1 1 311.348 0.444 50 0 DCAAMO Cc1nc(C)n(CCCNC(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)n1 ZINC000072454760 415414870 /nfs/dbraw/zinc/41/48/70/415414870.db2.gz 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415569823 /nfs/dbraw/zinc/56/98/23/415569823.db2.gz YPEUUHXQWUUKDL-UHFFFAOYSA-N 1 1 320.788 0.407 50 0 DCAAMO O=C(C[NH2+][C@H](CO)c1ccc(Cl)c(F)c1)N1CCOCC1 ZINC000096006514 415570881 /nfs/dbraw/zinc/57/08/81/415570881.db2.gz MNNXANWTBOMWDQ-CYBMUJFWSA-N 1 1 316.760 0.961 50 0 DCAAMO COC(=O)[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)C2 ZINC000097082964 415582803 /nfs/dbraw/zinc/58/28/03/415582803.db2.gz OUEYHVGXDIKKQU-CABZTGNLSA-N 1 1 308.300 0.940 50 0 DCAAMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C2 ZINC000097082964 415582812 /nfs/dbraw/zinc/58/28/12/415582812.db2.gz OUEYHVGXDIKKQU-CABZTGNLSA-N 1 1 308.300 0.940 50 0 DCAAMO CCc1nnc(N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000107634473 415671291 /nfs/dbraw/zinc/67/12/91/415671291.db2.gz CXPOCKAVAVWIJZ-CQSZACIVSA-N 1 1 309.439 0.891 50 0 DCAAMO C[N@@H+](CC(=O)N[C@@H]1CCCCNC1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000119921716 415749353 /nfs/dbraw/zinc/74/93/53/415749353.db2.gz JPNYSYGHSKQWEQ-GBOPCIDUSA-N 1 1 323.437 0.517 50 0 DCAAMO C[NH+](C)Cc1cncc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299762664 416066373 /nfs/dbraw/zinc/06/63/73/416066373.db2.gz WCPNOMDBNBKJQT-KBPBESRZSA-N 1 1 315.381 0.480 50 0 DCAAMO Cc1cc(C)n(CCN(C)C(=O)CN2CCC[N@@H+](C)CC2)n1 ZINC000299775755 416066869 /nfs/dbraw/zinc/06/68/69/416066869.db2.gz IYMUQQPCONFFRF-UHFFFAOYSA-N 1 1 307.442 0.596 50 0 DCAAMO CCn1cc(NC(=O)NC[C@H]2CC[N@@H+](CCCOC)C2)nn1 ZINC000299775996 416068331 /nfs/dbraw/zinc/06/83/31/416068331.db2.gz MYZTXOLQRSCYDP-GFCCVEGCSA-N 1 1 310.402 0.778 50 0 DCAAMO CCC1=NO[C@@H](C[NH+]2CCN(c3ccnc4nncn43)CC2)C1 ZINC000252483991 416334637 /nfs/dbraw/zinc/33/46/37/416334637.db2.gz FLSHNNJJYJCDFT-CYBMUJFWSA-N 1 1 315.381 0.801 50 0 DCAAMO CCC[C@@H](C)[N@H+](C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252452715 416334679 /nfs/dbraw/zinc/33/46/79/416334679.db2.gz YAGWKTLZPKIQRH-MNOVXSKESA-N 1 1 319.427 0.120 50 0 DCAAMO CCC[C@@H](C)[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252452715 416334680 /nfs/dbraw/zinc/33/46/80/416334680.db2.gz 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ZINC000244678986 416330960 /nfs/dbraw/zinc/33/09/60/416330960.db2.gz INLQFLYJGCTGBJ-HNNXBMFYSA-N 1 1 307.442 0.957 50 0 DCAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1cnnn1 ZINC000583652717 416482408 /nfs/dbraw/zinc/48/24/08/416482408.db2.gz SCMKJFYOBCIIAO-ZIAGYGMSSA-N 1 1 306.414 0.786 50 0 biogenic DCAAMO CC1=C(C(=O)N(C)CC[N@@H+](C)C2CC2)[C@H](C)n2nnnc2N1C ZINC000408522052 417168013 /nfs/dbraw/zinc/16/80/13/417168013.db2.gz CIRLAWNPMXPSRE-NSHDSACASA-N 1 1 319.413 0.511 50 0 DCAAMO CC(C)n1cnnc1CN(C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000647054324 417978174 /nfs/dbraw/zinc/97/81/74/417978174.db2.gz JBPGDFFGWKKEOM-ZDUSSCGKSA-N 1 1 306.414 0.207 50 0 DCAAMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccco1 ZINC000048289065 276860791 /nfs/dbraw/zinc/86/07/91/276860791.db2.gz QDSXEIZVLRBDIT-VXGBXAGGSA-N 1 1 308.382 0.789 50 0 DCAAMO CC(C)(C)OCC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000097147478 277214226 /nfs/dbraw/zinc/21/42/26/277214226.db2.gz JTQIYMVSJRRSSN-UHFFFAOYSA-N 1 1 318.483 0.996 50 0 DCAAMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000054371504 300322812 /nfs/dbraw/zinc/32/28/12/300322812.db2.gz UHQDIQCXXXJYFH-JTQLQIEISA-N 1 1 318.420 0.073 50 0 DCAAMO [NH3+]Cc1nnnn1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000570568006 332774806 /nfs/dbraw/zinc/77/48/06/332774806.db2.gz BCQOWAUGLLPTGR-UHFFFAOYSA-N 1 1 300.244 0.789 50 0 DCAAMO Cc1cccc(C(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)n1 ZINC000534580412 334288896 /nfs/dbraw/zinc/28/88/96/334288896.db2.gz NEVXFPVYKJGHPT-GJZGRUSLSA-N 1 1 304.394 0.135 50 0 DCAAMO COC[C@H](NC(=O)CC[NH+]1CCN(C)CC1)c1ccccn1 ZINC000534639335 334310500 /nfs/dbraw/zinc/31/05/00/334310500.db2.gz BUGCPRVJXQGGAR-HNNXBMFYSA-N 1 1 306.410 0.523 50 0 DCAAMO CC[N@H+]1C[C@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@@H](OC)C1 ZINC000534670924 334320249 /nfs/dbraw/zinc/32/02/49/334320249.db2.gz KZFMDNZXYMJEDN-ZFWWWQNUSA-N 1 1 318.377 0.973 50 0 DCAAMO CCc1csc(CNC(=O)C2CC[NH+](CC(N)=O)CC2)n1 ZINC000091269655 522102029 /nfs/dbraw/zinc/10/20/29/522102029.db2.gz WUXGQTWHVUTTPK-UHFFFAOYSA-N 1 1 310.423 0.519 50 0 DCAAMO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CNCCO1 ZINC000249080940 525019706 /nfs/dbraw/zinc/01/97/06/525019706.db2.gz QMQATYSCEHSYTK-FVQBIDKESA-N 1 1 318.421 0.397 50 0 DCAAMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CNCCO1 ZINC000249080940 525019714 /nfs/dbraw/zinc/01/97/14/525019714.db2.gz QMQATYSCEHSYTK-FVQBIDKESA-N 1 1 318.421 0.397 50 0 DCAAMO CCCNc1nc(N2CC[NH+](CCO)CC2)nc2c1cnn2C ZINC000021929707 535205716 /nfs/dbraw/zinc/20/57/16/535205716.db2.gz UJWQPOOGIQVFSN-UHFFFAOYSA-N 1 1 319.413 0.300 50 0 DCAAMO CC(=O)N1CCCN([C@H]2C[N@H+](CCn3cncn3)C[C@H]2C)CC1 ZINC000084714466 545702017 /nfs/dbraw/zinc/70/20/17/545702017.db2.gz BJDOVCPLBYQGOR-ZBFHGGJFSA-N 1 1 320.441 0.153 50 0 DCAAMO CC(=O)N1CCC[N@@H+]([C@H]2CN(CCn3cncn3)C[C@H]2C)CC1 ZINC000084714466 545702026 /nfs/dbraw/zinc/70/20/26/545702026.db2.gz BJDOVCPLBYQGOR-ZBFHGGJFSA-N 1 1 320.441 0.153 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(CCn3cncn3)C[C@H]2C)CC1 ZINC000084714466 545702033 /nfs/dbraw/zinc/70/20/33/545702033.db2.gz BJDOVCPLBYQGOR-ZBFHGGJFSA-N 1 1 320.441 0.153 50 0 DCAAMO CCOCC[N@@H+]1CCN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1C ZINC000084721267 545702315 /nfs/dbraw/zinc/70/23/15/545702315.db2.gz JQICOMKFQXSCHO-UONOGXRCSA-N 1 1 313.442 0.718 50 0 DCAAMO CCOCC[N@H+]1CCN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1C ZINC000084721267 545702319 /nfs/dbraw/zinc/70/23/19/545702319.db2.gz JQICOMKFQXSCHO-UONOGXRCSA-N 1 1 313.442 0.718 50 0 DCAAMO Cn1ccnc1C(=O)N1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000215727677 545938017 /nfs/dbraw/zinc/93/80/17/545938017.db2.gz GVMHOHPERQMKIC-ZDUSSCGKSA-N 1 1 306.410 0.729 50 0 DCAAMO C[C@H](NC(=O)CN1CCOc2ccccc2C1)c1nc(=O)[n-][nH]1 ZINC000216041838 545938639 /nfs/dbraw/zinc/93/86/39/545938639.db2.gz OSKXUMHVVBEQRK-JTQLQIEISA-N 1 1 317.349 0.170 50 0 DCAAMO CN(C)C(=O)[C@](C)(NC[C@H](O)C[N@@H+](C)C1CC1)C(F)(F)F ZINC000888095788 661168859 /nfs/dbraw/zinc/16/88/59/661168859.db2.gz WAMDSSRYLYBZHT-JQWIXIFHSA-N 1 1 311.348 0.440 50 0 DCAAMO C[C@H](CCC(=O)N1CCN(Cc2nnc[nH]2)CC1)[NH+]1CCCC1 ZINC000426599020 661630368 /nfs/dbraw/zinc/63/03/68/661630368.db2.gz VBGGQQNGXILEPZ-CQSZACIVSA-N 1 1 320.441 0.713 50 0 DCAAMO CN1CCC([NH+]2CCC(c3nc(CC(N)=O)n[nH]3)CC2)CC1 ZINC000952976372 685600728 /nfs/dbraw/zinc/60/07/28/685600728.db2.gz FKCLNGSISBAZPZ-UHFFFAOYSA-N 1 1 306.414 0.106 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCOCc2ccccc2)C1 ZINC000952980437 685601126 /nfs/dbraw/zinc/60/11/26/685601126.db2.gz QPLQNWAPPKVDNS-HNNXBMFYSA-N 1 1 319.405 0.517 50 0 DCAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)N2CCCCCC2)C1 ZINC000150849198 685131996 /nfs/dbraw/zinc/13/19/96/685131996.db2.gz YXEFQISDGKTNCH-AWEZNQCLSA-N 1 1 319.471 0.665 50 0 DCAAMO COc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3[C@@H](O)C[C@@H]3C2)cc1 ZINC001772702366 1157842020 /nfs/dbraw/zinc/84/20/20/1157842020.db2.gz JNNIRWDKPLJDJU-KBMXLJTQSA-N 1 1 304.390 0.667 50 0 DCAAMO C[C@H](CC(=O)NC[C@]1(CO)COCC[NH2+]1)Cc1cccc(F)c1 ZINC000585128959 1158818200 /nfs/dbraw/zinc/81/82/00/1158818200.db2.gz SCVXACFRJOKUJE-GUYCJALGSA-N 1 1 324.396 0.862 50 0 DCAAMO C[N@H+]1C[C@@H]2COC[C@H](C1)N(Cc1ccccc1OCCO)C2 ZINC001704327310 1179973596 /nfs/dbraw/zinc/97/35/96/1179973596.db2.gz CBDQKWIKEFWLRZ-HOCLYGCPSA-N 1 1 306.406 0.820 50 0 DCAAMO CCNc1ncc(C[N@@H+]2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)cn1 ZINC001704353849 1179983103 /nfs/dbraw/zinc/98/31/03/1179983103.db2.gz UIEBGMUMIWOVOU-UKRRQHHQSA-N 1 1 316.409 0.975 50 0 DCAAMO CCNc1ncc(C[N@H+]2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)cn1 ZINC001704353849 1179983111 /nfs/dbraw/zinc/98/31/11/1179983111.db2.gz UIEBGMUMIWOVOU-UKRRQHHQSA-N 1 1 316.409 0.975 50 0 DCAAMO CCNc1ncc(C[N@@H+]2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)cn1 ZINC001704353849 1179983116 /nfs/dbraw/zinc/98/31/16/1179983116.db2.gz UIEBGMUMIWOVOU-UKRRQHHQSA-N 1 1 316.409 0.975 50 0 DCAAMO COc1cccc(C[N@H+]2C[C@H]3CN(C(C)=O)CC[C@@]3(CO)C2)n1 ZINC000675020974 748027314 /nfs/dbraw/zinc/02/73/14/748027314.db2.gz JDWVYNPNSDJDQS-YOEHRIQHSA-N 1 1 319.405 0.753 50 0 DCAAMO CCN1CCC(C[NH2+][C@@H](C)CS(C)(=O)=O)(N(C)C)CC1 ZINC000823107383 758223447 /nfs/dbraw/zinc/22/34/47/758223447.db2.gz VOXHOPZQUPCFHN-ZDUSSCGKSA-N 1 1 305.488 0.425 50 0 DCAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)N2CCC(C)CC2)C1 ZINC000824412343 758772900 /nfs/dbraw/zinc/77/29/00/758772900.db2.gz GSMSMIFGNPQYOJ-CQSZACIVSA-N 1 1 319.471 0.521 50 0 DCAAMO CS(=O)(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000824864458 758789594 /nfs/dbraw/zinc/78/95/94/758789594.db2.gz MDAPGAGIAGUYLD-SIWZUTFBSA-N 1 1 321.446 0.103 50 0 DCAAMO CS(=O)(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000824864458 758789601 /nfs/dbraw/zinc/78/96/01/758789601.db2.gz MDAPGAGIAGUYLD-SIWZUTFBSA-N 1 1 321.446 0.103 50 0 DCAAMO Cc1nc(N)sc1CC(=O)NCCC[N@H+]1CCC[C@H](O)C1 ZINC000828627399 759048994 /nfs/dbraw/zinc/04/89/94/759048994.db2.gz MOGBQTUVPHJDEA-NSHDSACASA-N 1 1 312.439 0.539 50 0 DCAAMO Cc1noc(C)c1CC[N@@H+]1CC[C@]2(C1)C(=O)N(C)C(=O)N2C ZINC000581782928 760250091 /nfs/dbraw/zinc/25/00/91/760250091.db2.gz 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185374849 /nfs/dbraw/zinc/37/48/49/185374849.db2.gz JEIDRMPRIWLZIA-UHFFFAOYSA-N 1 1 313.361 0.916 50 0 DCAAMO CCOc1cccc(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)c1 ZINC000095528657 185378341 /nfs/dbraw/zinc/37/83/41/185378341.db2.gz NBKGAKMTUDNFLU-OAHLLOKOSA-N 1 1 317.389 0.965 50 0 DCAAMO O=C(NCc1ccncc1)[C@H]1CN(c2ncc(F)cn2)CC[NH2+]1 ZINC000072154150 191059984 /nfs/dbraw/zinc/05/99/84/191059984.db2.gz WRHYUIJRHNYWOT-CYBMUJFWSA-N 1 1 316.340 0.105 50 0 DCAAMO C[NH+]1CCN(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000005123266 181206292 /nfs/dbraw/zinc/20/62/92/181206292.db2.gz GNJSHXFTYFDFGW-ZDUSSCGKSA-N 1 1 317.393 0.254 50 0 DCAAMO COc1cc(F)ccc1N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000237184594 202179934 /nfs/dbraw/zinc/17/99/34/202179934.db2.gz RGDWFOCHXTZJML-CYBMUJFWSA-N 1 1 323.368 0.471 50 0 DCAAMO COc1ccccc1N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237300925 202223631 /nfs/dbraw/zinc/22/36/31/202223631.db2.gz PPMYTTQNHIYJDD-ZDUSSCGKSA-N 1 1 305.378 0.332 50 0 DCAAMO 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/nfs/dbraw/zinc/02/73/45/396027345.db2.gz QQLOJOUZCCIFEG-TZMCWYRMSA-N 1 1 312.439 0.677 50 0 DCAAMO O=c1[nH]ccnc1N1CCN(CC[N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000253536015 396029427 /nfs/dbraw/zinc/02/94/27/396029427.db2.gz CGWWBCWXCQKBCV-UONOGXRCSA-N 1 1 303.410 0.789 50 0 DCAAMO Cc1n[nH]c(C)c1CC(=O)N1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067654388 396030074 /nfs/dbraw/zinc/03/00/74/396030074.db2.gz RHQFYIWQCHFTSH-UHFFFAOYSA-N 1 1 319.453 0.807 50 0 DCAAMO Cc1n[nH]c(C)c1CC(=O)N1CCC2(CC1)CN(C)CC[N@@H+]2C ZINC000067654388 396030076 /nfs/dbraw/zinc/03/00/76/396030076.db2.gz RHQFYIWQCHFTSH-UHFFFAOYSA-N 1 1 319.453 0.807 50 0 DCAAMO Cc1n[nH]c(C)c1CC(=O)N1CCC2(CC1)CN(C)CC[N@H+]2C ZINC000067654388 396030078 /nfs/dbraw/zinc/03/00/78/396030078.db2.gz RHQFYIWQCHFTSH-UHFFFAOYSA-N 1 1 319.453 0.807 50 0 DCAAMO COc1cc2cc(C[N@@H+](C)C[C@H](O)CO)c(=O)[nH]c2cc1OC ZINC000067713347 396031648 /nfs/dbraw/zinc/03/16/48/396031648.db2.gz IMSXEZGKZVYAPR-LBPRGKRZSA-N 1 1 322.361 0.330 50 0 DCAAMO 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/nfs/dbraw/zinc/04/66/53/396046653.db2.gz CQXNRFADMRRSJN-JSGCOSHPSA-N 1 1 317.455 0.511 50 0 DCAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)CCO1 ZINC000069652606 396086332 /nfs/dbraw/zinc/08/63/32/396086332.db2.gz NRNUKXKQPKUSLI-KGLIPLIRSA-N 1 1 307.398 0.237 50 0 DCAAMO CCOCC[N@H+]1CCN(c2ccc3nnnn3n2)C[C@H]1CC ZINC000069697907 396087184 /nfs/dbraw/zinc/08/71/84/396087184.db2.gz FJBLVSVZCNHDNL-GFCCVEGCSA-N 1 1 305.386 0.456 50 0 DCAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000069739964 396088353 /nfs/dbraw/zinc/08/83/53/396088353.db2.gz HNULEOAEHNCRFP-OAHLLOKOSA-N 1 1 310.369 0.981 50 0 DCAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000069776429 396090282 /nfs/dbraw/zinc/09/02/82/396090282.db2.gz QUNRPFRVVWYACL-LBPRGKRZSA-N 1 1 314.411 0.294 50 0 DCAAMO CCC(=O)N1CC[NH+]([C@]2(CC)CCN(C(=O)COC)C2)CC1 ZINC000169752027 396091107 /nfs/dbraw/zinc/09/11/07/396091107.db2.gz CUYRQNFFVABRRZ-MRXNPFEDSA-N 1 1 311.426 0.568 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC000069847500 396091788 /nfs/dbraw/zinc/09/17/88/396091788.db2.gz YEYPURWZKGMPBR-CVEARBPZSA-N 1 1 318.425 0.865 50 0 DCAAMO Cc1cc(C[N@@H+](C)[C@@H]2CCc3nn(C)c(=O)n3CC2)n(C)n1 ZINC000169783350 396091884 /nfs/dbraw/zinc/09/18/84/396091884.db2.gz SCTSHDKGWLNPHF-GFCCVEGCSA-N 1 1 304.398 0.461 50 0 DCAAMO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000069843673 396092339 /nfs/dbraw/zinc/09/23/39/396092339.db2.gz IRUZDODHHQGWPC-STQMWFEESA-N 1 1 302.440 0.896 50 0 DCAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000069843673 396092341 /nfs/dbraw/zinc/09/23/41/396092341.db2.gz IRUZDODHHQGWPC-STQMWFEESA-N 1 1 302.440 0.896 50 0 DCAAMO C[C@H](O)CN1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000069922963 396095718 /nfs/dbraw/zinc/09/57/18/396095718.db2.gz NBIXUPLQMAFTHO-HNNXBMFYSA-N 1 1 317.433 0.964 50 0 DCAAMO O=C(CC[N@@H+]1CCO[C@H](Cn2cncn2)C1)N1CCCCC1 ZINC000069969878 396096352 /nfs/dbraw/zinc/09/63/52/396096352.db2.gz 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COCCCNC(=O)C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000071877470 396121882 /nfs/dbraw/zinc/12/18/82/396121882.db2.gz MQHLJRRLOZFWMG-CQSZACIVSA-N 1 1 321.425 0.530 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC000071880507 396122527 /nfs/dbraw/zinc/12/25/27/396122527.db2.gz NKYWBHUHENTBKI-HUUCEWRRSA-N 1 1 309.410 0.321 50 0 DCAAMO Cc1noc(C)c1CN1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262364857 396131038 /nfs/dbraw/zinc/13/10/38/396131038.db2.gz VOSSYNVKOWQVIN-HIFRSBDPSA-N 1 1 322.409 0.313 50 0 DCAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N2CCO[C@H](C)C2)n1 ZINC000069491512 396080392 /nfs/dbraw/zinc/08/03/92/396080392.db2.gz DPNTWEFHROFVDW-IUODEOHRSA-N 1 1 321.425 0.607 50 0 DCAAMO C[C@H](CNC(=O)N1CCN(Cc2ccon2)CC1)[N@@H+](C)C1CC1 ZINC000074100662 396157728 /nfs/dbraw/zinc/15/77/28/396157728.db2.gz DOIXCEVBDAXPPR-CYBMUJFWSA-N 1 1 321.425 0.985 50 0 DCAAMO COC(=O)[C@@H]1C[C@@H](O)[C@H]([NH+]2CCN(c3ccccn3)CC2)C1 ZINC000075104345 396175807 /nfs/dbraw/zinc/17/58/07/396175807.db2.gz NUWLGYXSMBDISC-BFHYXJOUSA-N 1 1 305.378 0.516 50 0 DCAAMO C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1[NH+]1CCOCC1 ZINC000076053105 396194641 /nfs/dbraw/zinc/19/46/41/396194641.db2.gz RDNKBOIDZDPPGV-KGLIPLIRSA-N 1 1 307.398 0.237 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)CC1 ZINC000078896100 396257034 /nfs/dbraw/zinc/25/70/34/396257034.db2.gz WSCYAPICZQFELD-CJNGLKHVSA-N 1 1 322.453 0.092 50 0 DCAAMO O=C(CN1CCC[C@H](O)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000584886432 396632410 /nfs/dbraw/zinc/63/24/10/396632410.db2.gz XHRJXURXCGQDPD-INIZCTEOSA-N 1 1 309.454 0.778 50 0 DCAAMO COC(=O)c1cc(O)cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000584889444 396633210 /nfs/dbraw/zinc/63/32/10/396633210.db2.gz KQEYRJNZFMEIHK-ZDUSSCGKSA-N 1 1 321.377 0.154 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)N2CCC[C@H](c3ccncn3)C2)CC1 ZINC000584899561 396636189 /nfs/dbraw/zinc/63/61/89/396636189.db2.gz WLWBCUYAYPQQJD-HNNXBMFYSA-N 1 1 317.437 0.820 50 0 DCAAMO CCn1cc(-c2noc(CNC(=O)N3CC[NH+](C)CC3)n2)cn1 ZINC000585149207 396642279 /nfs/dbraw/zinc/64/22/79/396642279.db2.gz MPWKALXQZRJFJX-UHFFFAOYSA-N 1 1 319.369 0.410 50 0 DCAAMO CCCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000010328952 415149705 /nfs/dbraw/zinc/14/97/05/415149705.db2.gz RDDMDSOKPVPGBV-UHFFFAOYSA-N 1 1 318.381 0.913 50 0 DCAAMO CCN1C[C@H](C[N@@H+](C)CCC(=O)NC(N)=O)Oc2ccccc21 ZINC000011193525 415150851 /nfs/dbraw/zinc/15/08/51/415150851.db2.gz DAXSIUYACVPEBQ-LBPRGKRZSA-N 1 1 320.393 0.791 50 0 DCAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc[nH]c2=O)C[C@@H](C)O1 ZINC000021063422 415155529 /nfs/dbraw/zinc/15/55/29/415155529.db2.gz PMAMMHFUOMBRGR-VXGBXAGGSA-N 1 1 307.394 0.993 50 0 DCAAMO CN(C)C(=O)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000044917911 415236277 /nfs/dbraw/zinc/23/62/77/415236277.db2.gz VJXAHKSHTLWFED-CYBMUJFWSA-N 1 1 311.382 0.456 50 0 DCAAMO O=C(NCc1ccoc1)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000044967827 415237438 /nfs/dbraw/zinc/23/74/38/415237438.db2.gz HTVQNXXMENSRCR-GJZGRUSLSA-N 1 1 323.393 0.816 50 0 DCAAMO C[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000046034423 415254202 /nfs/dbraw/zinc/25/42/02/415254202.db2.gz CEMRXSLSNCIACQ-GFCCVEGCSA-N 1 1 300.428 0.820 50 0 DCAAMO C[C@@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC000065427611 415357655 /nfs/dbraw/zinc/35/76/55/415357655.db2.gz YPTMYIIXMXQETA-RYUDHWBXSA-N 1 1 303.428 0.299 50 0 DCAAMO CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CCCN4CCCC[C@H]34)C[C@H]2C1=O ZINC000072164907 415409789 /nfs/dbraw/zinc/40/97/89/415409789.db2.gz RBBSRGFBTHJVJA-BYNSBNAKSA-N 1 1 305.422 0.798 50 0 DCAAMO CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CCCN4CCCC[C@H]34)C[C@H]2C1=O ZINC000072164907 415409792 /nfs/dbraw/zinc/40/97/92/415409792.db2.gz RBBSRGFBTHJVJA-BYNSBNAKSA-N 1 1 305.422 0.798 50 0 DCAAMO Cc1c[nH+]c(N2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)nc1N ZINC000072154508 415410431 /nfs/dbraw/zinc/41/04/31/415410431.db2.gz SJGJVUPGCNTSHT-NSHDSACASA-N 1 1 305.382 0.743 50 0 DCAAMO Cc1c[nH+]c(N2CCC3(C[C@@H](C(=O)[O-])[N@@H+](C)C3)CC2)nc1N ZINC000072154508 415410435 /nfs/dbraw/zinc/41/04/35/415410435.db2.gz SJGJVUPGCNTSHT-NSHDSACASA-N 1 1 305.382 0.743 50 0 DCAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@H]1C ZINC000075129328 415436608 /nfs/dbraw/zinc/43/66/08/415436608.db2.gz YMBKNRDJKVHOFV-CHWSQXEVSA-N 1 1 309.454 0.678 50 0 DCAAMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CCCS(N)(=O)=O)n1 ZINC000075604501 415451471 /nfs/dbraw/zinc/45/14/71/415451471.db2.gz ULOKSSVNZQRAKH-CYBMUJFWSA-N 1 1 315.443 0.428 50 0 DCAAMO Cc1ccc([C@@H]2C[N@H+](C(CO)CO)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077518368 415462315 /nfs/dbraw/zinc/46/23/15/415462315.db2.gz LHANCZVRZVSYQG-DLBZAZTESA-N 1 1 318.417 0.642 50 0 DCAAMO C[C@@H](C(=O)N1CCC[C@@H]1Cn1cccn1)N1CC[NH+](C)CC1 ZINC000095364972 415553056 /nfs/dbraw/zinc/55/30/56/415553056.db2.gz SVHMWPKVSMIIEJ-LSDHHAIUSA-N 1 1 305.426 0.510 50 0 DCAAMO Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)n[nH]1 ZINC000095366860 415554430 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VCHCKIIMSLYICR-NSHDSACASA-N 1 1 318.352 0.733 50 0 DCAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000043122209 183339095 /nfs/dbraw/zinc/33/90/95/183339095.db2.gz WAQGCBULBFJMDK-UHFFFAOYSA-N 1 1 300.362 0.847 50 0 DCAAMO Cc1[nH+]ccn1CCN(C)c1nccc(N2CC[C@@H](O)C2)n1 ZINC000106270949 194193243 /nfs/dbraw/zinc/19/32/43/194193243.db2.gz SNROZXAVZKLRTP-CYBMUJFWSA-N 1 1 302.382 0.689 50 0 DCAAMO Cc1csc(N2CCC[N@@H+](CCC(=O)NC(N)=O)CC2)n1 ZINC000058147255 184081033 /nfs/dbraw/zinc/08/10/33/184081033.db2.gz NHQKNTYHNOWEMR-UHFFFAOYSA-N 1 1 311.411 0.549 50 0 DCAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000058421048 184115880 /nfs/dbraw/zinc/11/58/80/184115880.db2.gz NCRLLQIQJBMJGZ-ZIAGYGMSSA-N 1 1 305.422 0.988 50 0 DCAAMO COCC[N@H+]1CCCN(C(=O)N[C@@H](C)Cn2cccn2)CC1 ZINC000065440696 184345688 /nfs/dbraw/zinc/34/56/88/184345688.db2.gz NLLXVXNWRBRYIL-AWEZNQCLSA-N 1 1 309.414 0.635 50 0 DCAAMO Cc1cccc([C@@H](C(=O)NCCNS(C)(=O)=O)[NH+](C)C)c1 ZINC000065405551 184337888 /nfs/dbraw/zinc/33/78/88/184337888.db2.gz IMDAWVKOJIOBLQ-ZDUSSCGKSA-N 1 1 313.423 0.263 50 0 DCAAMO COCC(=O)NCCNc1cc(-n2nc(C)cc2C)nc(C)[nH+]1 ZINC000067602031 184474286 /nfs/dbraw/zinc/47/42/86/184474286.db2.gz ZCUDMRGIEWITDF-UHFFFAOYSA-N 1 1 318.381 0.762 50 0 DCAAMO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000239882102 296388928 /nfs/dbraw/zinc/38/89/28/296388928.db2.gz DAGPKPPAOKQKHL-OLZOCXBDSA-N 1 1 317.455 0.547 50 0 DCAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000239882102 296388931 /nfs/dbraw/zinc/38/89/31/296388931.db2.gz DAGPKPPAOKQKHL-OLZOCXBDSA-N 1 1 317.455 0.547 50 0 DCAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCCCCC1 ZINC000014124387 257233596 /nfs/dbraw/zinc/23/35/96/257233596.db2.gz USQJPMALXUDSSU-JTQLQIEISA-N 1 1 308.382 0.113 50 0 DCAAMO CNc1ncc(CN(C)c2nc(N3CC[C@@H](O)C3)cc[nH+]2)cn1 ZINC000216470329 257273738 /nfs/dbraw/zinc/27/37/38/257273738.db2.gz VFJXWJNEIQIGQC-GFCCVEGCSA-N 1 1 315.381 0.516 50 0 DCAAMO CC(C)[N@H+]1CC[C@@H](CN(C)C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000426490407 257248696 /nfs/dbraw/zinc/24/86/96/257248696.db2.gz FTQMEPBQEWCJLT-NSHDSACASA-N 1 1 308.382 0.619 50 0 DCAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000426495621 257248873 /nfs/dbraw/zinc/24/88/73/257248873.db2.gz MXZXXYFYDMROSY-NSHDSACASA-N 1 1 308.382 0.524 50 0 DCAAMO Cc1[nH+]ccn1CCCNC(=O)NCC(=O)Nc1nccs1 ZINC000426370944 257252981 /nfs/dbraw/zinc/25/29/81/257252981.db2.gz KELYSGDXHWUCTK-UHFFFAOYSA-N 1 1 322.394 0.976 50 0 DCAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285239522 131150186 /nfs/dbraw/zinc/15/01/86/131150186.db2.gz YPBNJFJCRPSWGE-MRXNPFEDSA-N 1 1 323.368 0.096 50 0 DCAAMO C[NH+](C)CCCNC(=O)CNc1nc(Cl)nc2[nH]cnc21 ZINC000009047956 395685148 /nfs/dbraw/zinc/68/51/48/395685148.db2.gz BVYQBGGXSAMMSU-UHFFFAOYSA-N 1 1 311.777 0.486 50 0 DCAAMO Cn1cc[nH+]c1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000013694321 395688753 /nfs/dbraw/zinc/68/87/53/395688753.db2.gz CRSSJDPDPXQZFZ-UHFFFAOYSA-N 1 1 305.426 0.945 50 0 DCAAMO Cc1cc(CN2CCC(Cn3cc(C[NH3+])nn3)CC2)n(C)n1 ZINC000023231374 395692295 /nfs/dbraw/zinc/69/22/95/395692295.db2.gz MQFLJHJGSJUYKO-UHFFFAOYSA-N 1 1 303.414 0.691 50 0 DCAAMO CCS(=O)(=O)CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000004480284 395682474 /nfs/dbraw/zinc/68/24/74/395682474.db2.gz ZELKQJIDYHTNBE-QWHCGFSZSA-N 1 1 310.419 0.702 50 0 biogenic DCAAMO CCS(=O)(=O)CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000004480284 395682475 /nfs/dbraw/zinc/68/24/75/395682475.db2.gz ZELKQJIDYHTNBE-QWHCGFSZSA-N 1 1 310.419 0.702 50 0 biogenic DCAAMO COc1cccc(C(=O)N2CCOC[C@H]2C[N@@H+](C)CCO)c1 ZINC000085469803 395701014 /nfs/dbraw/zinc/70/10/14/395701014.db2.gz SHODMCQEVFAVHW-CQSZACIVSA-N 1 1 308.378 0.460 50 0 DCAAMO CN1N=C(C(=O)NCC[N@H+]2CCc3ccccc3C2)CCC1=O ZINC000032355269 395710252 /nfs/dbraw/zinc/71/02/52/395710252.db2.gz HRAVGKGUYOAASF-UHFFFAOYSA-N 1 1 314.389 0.769 50 0 DCAAMO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000032811061 395713575 /nfs/dbraw/zinc/71/35/75/395713575.db2.gz XZXJSMUNNTZUDI-GHMZBOCLSA-N 1 1 314.382 0.780 50 0 DCAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089643137 395713790 /nfs/dbraw/zinc/71/37/90/395713790.db2.gz AONVUWVGKJEQQZ-LLVKDONJSA-N 1 1 311.407 0.419 50 0 DCAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089643137 395713792 /nfs/dbraw/zinc/71/37/92/395713792.db2.gz AONVUWVGKJEQQZ-LLVKDONJSA-N 1 1 311.407 0.419 50 0 DCAAMO COc1ccccc1OCCNC(=O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000089939036 395716885 /nfs/dbraw/zinc/71/68/85/395716885.db2.gz ICXHBISOZXPVLL-AWEZNQCLSA-N 1 1 321.421 0.826 50 0 DCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000089937992 395716947 /nfs/dbraw/zinc/71/69/47/395716947.db2.gz PWJUOUCULGMIHW-LBPRGKRZSA-N 1 1 315.377 0.344 50 0 DCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000089937992 395716948 /nfs/dbraw/zinc/71/69/48/395716948.db2.gz PWJUOUCULGMIHW-LBPRGKRZSA-N 1 1 315.377 0.344 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCn3cccn3)C[C@@H]2C)CC1 ZINC000089937286 395717254 /nfs/dbraw/zinc/71/72/54/395717254.db2.gz RXWLVHSKOMDYBK-HOCLYGCPSA-N 1 1 305.426 0.368 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(c2ccccc2F)CC1 ZINC000039519503 395732966 /nfs/dbraw/zinc/73/29/66/395732966.db2.gz LANMZQQYYGPDRD-CQSZACIVSA-N 1 1 321.396 0.931 50 0 DCAAMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000107581750 395785572 /nfs/dbraw/zinc/78/55/72/395785572.db2.gz LPLKMPANGXDRTJ-RYUDHWBXSA-N 1 1 322.409 0.402 50 0 DCAAMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000107581750 395785574 /nfs/dbraw/zinc/78/55/74/395785574.db2.gz LPLKMPANGXDRTJ-RYUDHWBXSA-N 1 1 322.409 0.402 50 0 DCAAMO CC(C)n1nccc1NC(=O)[C@H](C)N1CC[NH+](CCO)CC1 ZINC000098068861 395761746 /nfs/dbraw/zinc/76/17/46/395761746.db2.gz HYSUUJYRAKUGFG-ZDUSSCGKSA-N 1 1 309.414 0.401 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000048303816 395813232 /nfs/dbraw/zinc/81/32/32/395813232.db2.gz SWPURSLAKUHJLA-LBPRGKRZSA-N 1 1 302.382 0.955 50 0 DCAAMO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000195554280 395831645 /nfs/dbraw/zinc/83/16/45/395831645.db2.gz GWIOMXVYEIEQQS-XHSDSOJGSA-N 1 1 310.486 0.988 50 0 DCAAMO O=C(CN1CC[NH+](CCO)CC1)N(Cc1ccccc1)C1CC1 ZINC000051211068 395848247 /nfs/dbraw/zinc/84/82/47/395848247.db2.gz STOUWINIKJMWNY-UHFFFAOYSA-N 1 1 317.433 0.788 50 0 DCAAMO Cc1cc(CN2CC[NH+](C[C@H](O)Cn3cccn3)CC2)no1 ZINC000051254740 395849209 /nfs/dbraw/zinc/84/92/09/395849209.db2.gz VLFCTIOMBABSEC-HNNXBMFYSA-N 1 1 305.382 0.358 50 0 DCAAMO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000237128633 395903526 /nfs/dbraw/zinc/90/35/26/395903526.db2.gz ATARVASUZCGFGC-VIFPVBQESA-N 1 1 317.349 0.156 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2cccc3[nH]ccc32)C1 ZINC000055282808 395915632 /nfs/dbraw/zinc/91/56/32/395915632.db2.gz XETVMZBYBCBUPQ-CYBMUJFWSA-N 1 1 314.389 0.981 50 0 DCAAMO Cc1csc(N2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2C)n1 ZINC000247981963 395981132 /nfs/dbraw/zinc/98/11/32/395981132.db2.gz XOYWRJPDQMLPLQ-LLVKDONJSA-N 1 1 323.422 0.514 50 0 DCAAMO Cc1csc(N2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]2C)n1 ZINC000247981963 395981137 /nfs/dbraw/zinc/98/11/37/395981137.db2.gz XOYWRJPDQMLPLQ-LLVKDONJSA-N 1 1 323.422 0.514 50 0 DCAAMO C[C@@H]1CCN(C(=O)NC[C@H](c2cnn(C)c2)[NH+](C)C)[C@@H]1CO ZINC000249036761 396001801 /nfs/dbraw/zinc/00/18/01/396001801.db2.gz CHGQHSNMHPTCSG-MRVWCRGKSA-N 1 1 309.414 0.435 50 0 DCAAMO COCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OC)nc2)C1 ZINC000065267399 395991524 /nfs/dbraw/zinc/99/15/24/395991524.db2.gz USQBGZNGWMTUGQ-CYBMUJFWSA-N 1 1 308.382 0.610 50 0 DCAAMO COCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC000065267399 395991525 /nfs/dbraw/zinc/99/15/25/395991525.db2.gz USQBGZNGWMTUGQ-CYBMUJFWSA-N 1 1 308.382 0.610 50 0 DCAAMO Cc1cc(NCC[N@@H+]2CCC[C@H](O)C2)nc(N2CCOCC2)n1 ZINC000065535253 395993961 /nfs/dbraw/zinc/99/39/61/395993961.db2.gz AXCSIVPDHGRJIK-AWEZNQCLSA-N 1 1 321.425 0.490 50 0 DCAAMO Cc1cc(NCC[N@H+]2CCC[C@H](O)C2)nc(N2CCOCC2)n1 ZINC000065535253 395993965 /nfs/dbraw/zinc/99/39/65/395993965.db2.gz AXCSIVPDHGRJIK-AWEZNQCLSA-N 1 1 321.425 0.490 50 0 DCAAMO O=C1N(Cc2ccccc2F)CCC[C@]1(O)C[NH+]1CC(O)C1 ZINC000067772503 396033116 /nfs/dbraw/zinc/03/31/16/396033116.db2.gz LFTZMNKSDKTYAB-INIZCTEOSA-N 1 1 308.353 0.356 50 0 DCAAMO CNC(=O)[C@@H]1C[C@@H](O)CN1C1CC[NH+](Cc2cccn2C)CC1 ZINC000257173983 396034073 /nfs/dbraw/zinc/03/40/73/396034073.db2.gz AYKFVZZZNBHYGA-CVEARBPZSA-N 1 1 320.437 0.171 50 0 DCAAMO CCC(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000257184392 396034319 /nfs/dbraw/zinc/03/43/19/396034319.db2.gz UKROAXPQGGAKSM-CQSZACIVSA-N 1 1 323.437 0.568 50 0 DCAAMO Nc1nc(N2CCCn3nc(C(=O)NC4CC4)cc3C2)cc[nH+]1 ZINC000067966681 396040789 /nfs/dbraw/zinc/04/07/89/396040789.db2.gz WEKBTYVIXCHWHL-UHFFFAOYSA-N 1 1 313.365 0.558 50 0 DCAAMO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2Cn2cccn2)CC1 ZINC000069632038 396085700 /nfs/dbraw/zinc/08/57/00/396085700.db2.gz WCTWDHSJRCJCCG-INIZCTEOSA-N 1 1 319.453 0.948 50 0 DCAAMO CCc1nc(NC(=O)CN2CC[NH+](CCO)CC2)sc1C ZINC000069772285 396090118 /nfs/dbraw/zinc/09/01/18/396090118.db2.gz HWSWPQLPACWCPH-UHFFFAOYSA-N 1 1 312.439 0.562 50 0 DCAAMO Cc1csc(N2CC[N@@H+](CCCS(N)(=O)=O)C[C@@H]2C)n1 ZINC000069874804 396093798 /nfs/dbraw/zinc/09/37/98/396093798.db2.gz KCYMWNBRNNIDGL-NSHDSACASA-N 1 1 318.468 0.641 50 0 DCAAMO Cc1csc(N2CC[N@H+](CCCS(N)(=O)=O)C[C@@H]2C)n1 ZINC000069874804 396093801 /nfs/dbraw/zinc/09/38/01/396093801.db2.gz KCYMWNBRNNIDGL-NSHDSACASA-N 1 1 318.468 0.641 50 0 DCAAMO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H](Cn3cncn3)C2)C1=O ZINC000069899214 396093832 /nfs/dbraw/zinc/09/38/32/396093832.db2.gz YVIFYLYQWHMURC-GFCCVEGCSA-N 1 1 320.397 0.321 50 0 DCAAMO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H]2Cn2cccn2)C1=O ZINC000069930296 396095182 /nfs/dbraw/zinc/09/51/82/396095182.db2.gz BKJKSTCNTXXJDX-LBPRGKRZSA-N 1 1 305.382 0.678 50 0 DCAAMO Cn1nc(C(C)(C)C)cc1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000069951094 396095922 /nfs/dbraw/zinc/09/59/22/396095922.db2.gz YJWUYVKJEGXSAQ-UHFFFAOYSA-N 1 1 323.441 0.266 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000071799281 396115475 /nfs/dbraw/zinc/11/54/75/396115475.db2.gz CANZCRXMVDPRNF-ZDUSSCGKSA-N 1 1 300.428 0.839 50 0 DCAAMO CC(C)C[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000071841168 396118387 /nfs/dbraw/zinc/11/83/87/396118387.db2.gz JRDMAJLROKFRFZ-UHFFFAOYSA-N 1 1 307.398 0.412 50 0 DCAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCc3cncnc3C2)CC1 ZINC000071859660 396119302 /nfs/dbraw/zinc/11/93/02/396119302.db2.gz XXZMGKMFSADUFL-CYBMUJFWSA-N 1 1 303.410 0.387 50 0 DCAAMO C[C@](O)(C[N@@H+]1CCO[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000071876614 396121174 /nfs/dbraw/zinc/12/11/74/396121174.db2.gz DVDMNTXGLFFSEQ-HOTGVXAUSA-N 1 1 302.378 0.887 50 0 DCAAMO C[C@](O)(C[N@H+]1CCO[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000071876614 396121177 /nfs/dbraw/zinc/12/11/77/396121177.db2.gz DVDMNTXGLFFSEQ-HOTGVXAUSA-N 1 1 302.378 0.887 50 0 DCAAMO C[C@H](O)CN1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000071877164 396121385 /nfs/dbraw/zinc/12/13/85/396121385.db2.gz OERKKAULKQRDJC-KBPBESRZSA-N 1 1 314.451 0.624 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000071877452 396121735 /nfs/dbraw/zinc/12/17/35/396121735.db2.gz YBPWERGIVJMPTA-OAHLLOKOSA-N 1 1 317.433 0.570 50 0 DCAAMO COc1ncccc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269400 396128757 /nfs/dbraw/zinc/12/87/57/396128757.db2.gz VFHDRHREPOGCFA-ZIAGYGMSSA-N 1 1 305.378 0.761 50 0 DCAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CN2CSCC2=O)C1 ZINC000069620323 396084497 /nfs/dbraw/zinc/08/44/97/396084497.db2.gz RCMYUNILARZJTB-LBPRGKRZSA-N 1 1 308.407 0.888 50 0 DCAAMO CCOCCN1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069627118 396085502 /nfs/dbraw/zinc/08/55/02/396085502.db2.gz YAMQCKNJLXUETN-KRWDZBQOSA-N 1 1 313.486 0.733 50 0 DCAAMO Cn1cc[nH+]c1N1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000076084319 396195705 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395850714 /nfs/dbraw/zinc/85/07/14/395850714.db2.gz YGPJIWCKQGMRML-ZDUSSCGKSA-N 1 1 306.414 0.147 50 0 DCAAMO COc1ccc(CC(=O)NC[C@@H]2COCC[N@@H+](C)C2)cc1OC ZINC000223340197 395854822 /nfs/dbraw/zinc/85/48/22/395854822.db2.gz GBEPAQVLKBRHAO-AWEZNQCLSA-N 1 1 322.405 0.941 50 0 DCAAMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCN1c1nccs1 ZINC000229803308 395876383 /nfs/dbraw/zinc/87/63/83/395876383.db2.gz RYNPKSKGADQNJQ-QWHCGFSZSA-N 1 1 307.423 0.911 50 0 DCAAMO COc1cccc(CNC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c1 ZINC000248862213 395998569 /nfs/dbraw/zinc/99/85/69/395998569.db2.gz AFVUBKBRORSHBT-CHWSQXEVSA-N 1 1 310.394 0.375 50 0 DCAAMO NC(=O)NC(=O)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000137081781 395949904 /nfs/dbraw/zinc/94/99/04/395949904.db2.gz JIHFZIDPEQVCMW-NSHDSACASA-N 1 1 310.398 0.342 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000247923396 395980119 /nfs/dbraw/zinc/98/01/19/395980119.db2.gz HURKSGFQDCUOKR-FVQBIDKESA-N 1 1 323.437 0.709 50 0 DCAAMO 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IYVZFHXJIZYWIL-ZDUSSCGKSA-N 1 1 300.424 0.236 50 0 DCAAMO O=C(CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1)N1CCC1 ZINC000069666964 396086382 /nfs/dbraw/zinc/08/63/82/396086382.db2.gz PUKCSNGTVKKNMA-MRXNPFEDSA-N 1 1 303.406 0.570 50 0 DCAAMO CCOc1ccnc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000069702757 396087428 /nfs/dbraw/zinc/08/74/28/396087428.db2.gz PXZGXQBYTGPQAB-CYBMUJFWSA-N 1 1 319.409 0.476 50 0 DCAAMO O=C1OCC[C@@H]1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000069771882 396089497 /nfs/dbraw/zinc/08/94/97/396089497.db2.gz DEBLDWGTTVAVKL-HOCLYGCPSA-N 1 1 320.389 0.359 50 0 DCAAMO O[C@@H](COCc1ccco1)C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069849423 396091772 /nfs/dbraw/zinc/09/17/72/396091772.db2.gz NAHBSSURSLWONH-ZIAGYGMSSA-N 1 1 306.366 0.913 50 0 DCAAMO CC(=O)NC[C@H]1CC[N@@H+](C2CCN(C(C)=O)CC2)C[C@H]1N(C)C ZINC000169788836 396092635 /nfs/dbraw/zinc/09/26/35/396092635.db2.gz FYBCARRNVGBRGZ-NVXWUHKLSA-N 1 1 324.469 0.386 50 0 DCAAMO CC(=O)NC[C@H]1CCN(C2CCN(C(C)=O)CC2)C[C@H]1[NH+](C)C ZINC000169788836 396092636 /nfs/dbraw/zinc/09/26/36/396092636.db2.gz FYBCARRNVGBRGZ-NVXWUHKLSA-N 1 1 324.469 0.386 50 0 DCAAMO Cc1ccn2ncc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)c2n1 ZINC000069876249 396093929 /nfs/dbraw/zinc/09/39/29/396093929.db2.gz FTZOWCRFQKHZJK-UHFFFAOYSA-N 1 1 317.393 0.566 50 0 DCAAMO CN(CC(=O)Nc1cccnc1)CC1CC[NH+](CCO)CC1 ZINC000069948980 396096150 /nfs/dbraw/zinc/09/61/50/396096150.db2.gz KBLGEVLLMZVQHT-UHFFFAOYSA-N 1 1 306.410 0.656 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)COCCOc2ccccc2)CC1 ZINC000070020717 396097996 /nfs/dbraw/zinc/09/79/96/396097996.db2.gz LGAAZTWFWBHGBA-OAHLLOKOSA-N 1 1 322.405 0.607 50 0 DCAAMO CCOCC[NH+]1CCN([C@H](C)C(=O)NCc2ccco2)CC1 ZINC000070021791 396098080 /nfs/dbraw/zinc/09/80/80/396098080.db2.gz JOBARWMHTXCYSR-CQSZACIVSA-N 1 1 309.410 0.938 50 0 DCAAMO COCC(=O)N1CCCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000071767806 396114747 /nfs/dbraw/zinc/11/47/47/396114747.db2.gz OQTFYLPLTYCGFH-KGLIPLIRSA-N 1 1 309.410 0.178 50 0 DCAAMO Cn1cc([C@H]2CCC[N@H+]2CCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000071797215 396115522 /nfs/dbraw/zinc/11/55/22/396115522.db2.gz SUPORJYWXMSUNO-GFCCVEGCSA-N 1 1 305.382 0.887 50 0 DCAAMO C[C@@H]1C[N@H+](C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000071821709 396116960 /nfs/dbraw/zinc/11/69/60/396116960.db2.gz SSOLORVUSYJONZ-LLVKDONJSA-N 1 1 303.370 0.209 50 0 DCAAMO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000071830561 396117984 /nfs/dbraw/zinc/11/79/84/396117984.db2.gz VRAWLFBVBURTFU-UONOGXRCSA-N 1 1 302.378 0.703 50 0 DCAAMO NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000071830561 396117989 /nfs/dbraw/zinc/11/79/89/396117989.db2.gz VRAWLFBVBURTFU-UONOGXRCSA-N 1 1 302.378 0.703 50 0 DCAAMO CC(C)(C)OC(=O)CC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000071885895 396123620 /nfs/dbraw/zinc/12/36/20/396123620.db2.gz MOPJZARDORURJV-LLVKDONJSA-N 1 1 321.443 0.223 50 0 DCAAMO COc1c([C@@H]2CCC[N@H+]2CCCS(N)(=O)=O)c(C)nn1C ZINC000072253813 396128347 /nfs/dbraw/zinc/12/83/47/396128347.db2.gz ANVZHRGSAUPWQB-NSHDSACASA-N 1 1 316.427 0.553 50 0 DCAAMO CC(=O)N1CCC[C@@H](S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000072287946 396129916 /nfs/dbraw/zinc/12/99/16/396129916.db2.gz FUUURUZFUUCUOH-ZIAGYGMSSA-N 1 1 315.439 0.107 50 0 DCAAMO Cn1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)cn1 ZINC000069620179 396084747 /nfs/dbraw/zinc/08/47/47/396084747.db2.gz ALNJXDMZEDWIBV-UONOGXRCSA-N 1 1 312.439 0.161 50 0 DCAAMO CC[N@@H+]1CCO[C@H](C(=O)NCCc2nc3ccccc3n2C)C1 ZINC000074367718 396165740 /nfs/dbraw/zinc/16/57/40/396165740.db2.gz TZLOESWJFVUEKF-HNNXBMFYSA-N 1 1 316.405 0.953 50 0 DCAAMO CC[N@H+]1CCO[C@H](C(=O)NCCc2nc3ccccc3n2C)C1 ZINC000074367718 396165744 /nfs/dbraw/zinc/16/57/44/396165744.db2.gz TZLOESWJFVUEKF-HNNXBMFYSA-N 1 1 316.405 0.953 50 0 DCAAMO C[C@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1[NH+]1CCOCC1 ZINC000076053102 396194969 /nfs/dbraw/zinc/19/49/69/396194969.db2.gz LKPCJJVMSOISCX-QWHCGFSZSA-N 1 1 312.414 0.004 50 0 DCAAMO Cn1nc2c(cc1=O)C[N@@H+](CC[S@](=O)c1ccccc1)CC2 ZINC000076064730 396195763 /nfs/dbraw/zinc/19/57/63/396195763.db2.gz BOLKAADGNVHQDX-JOCHJYFZSA-N 1 1 317.414 0.946 50 0 DCAAMO Cn1nc2c(cc1=O)C[N@H+](CC[S@](=O)c1ccccc1)CC2 ZINC000076064730 396195765 /nfs/dbraw/zinc/19/57/65/396195765.db2.gz BOLKAADGNVHQDX-JOCHJYFZSA-N 1 1 317.414 0.946 50 0 DCAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)N(C)C2CCOCC2)C1 ZINC000078899189 396257068 /nfs/dbraw/zinc/25/70/68/396257068.db2.gz ZNPKSGCMQXNTCD-OCCSQVGLSA-N 1 1 319.471 0.660 50 0 DCAAMO C[N@H+](CC(=O)N1CCOC[C@@H](CO)C1)Cc1ccc(F)cc1 ZINC000077457126 396223390 /nfs/dbraw/zinc/22/33/90/396223390.db2.gz NTKAZHIWKDSPTD-CQSZACIVSA-N 1 1 310.369 0.725 50 0 DCAAMO C[N@@H+](CC(=O)N1CCOC[C@@H](CO)C1)Cc1ccc(F)cc1 ZINC000077457126 396223392 /nfs/dbraw/zinc/22/33/92/396223392.db2.gz NTKAZHIWKDSPTD-CQSZACIVSA-N 1 1 310.369 0.725 50 0 DCAAMO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)N1CCOCC1 ZINC000186692004 396355560 /nfs/dbraw/zinc/35/55/60/396355560.db2.gz SZQPQRKAAIVLNE-KRWDZBQOSA-N 1 1 302.374 0.977 50 0 DCAAMO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)N1CCOCC1 ZINC000186692004 396355562 /nfs/dbraw/zinc/35/55/62/396355562.db2.gz SZQPQRKAAIVLNE-KRWDZBQOSA-N 1 1 302.374 0.977 50 0 DCAAMO CN1CC(=O)N(CC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)C1=O ZINC000581115864 396527302 /nfs/dbraw/zinc/52/73/02/396527302.db2.gz VTGSXIKTRULMDX-CYBMUJFWSA-N 1 1 316.361 0.054 50 0 DCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCCN1CCOCC1 ZINC000584889909 396633453 /nfs/dbraw/zinc/63/34/53/396633453.db2.gz UWNBYYBTXQFLKH-GJZGRUSLSA-N 1 1 313.442 0.323 50 0 DCAAMO C[NH+]1CCN([C@H]2CN(C(=O)Cc3cccs3)C[C@@H]2O)CC1 ZINC000584898970 396636372 /nfs/dbraw/zinc/63/63/72/396636372.db2.gz GIWYOUXNJGYWMT-KBPBESRZSA-N 1 1 309.435 0.110 50 0 DCAAMO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000585136540 396641313 /nfs/dbraw/zinc/64/13/13/396641313.db2.gz KCHRCXOXPDSIPJ-GJZGRUSLSA-N 1 1 324.425 0.400 50 0 DCAAMO C[N@@H+](CCO)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000408098614 160035600 /nfs/dbraw/zinc/03/56/00/160035600.db2.gz 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Cc1ncncc1C(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000069771872 190815179 /nfs/dbraw/zinc/81/51/79/190815179.db2.gz QPZFETWLPDYHFM-AWEZNQCLSA-N 1 1 306.410 0.950 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000072268875 191090575 /nfs/dbraw/zinc/09/05/75/191090575.db2.gz DBDDHCLMEKKIRT-CQSZACIVSA-N 1 1 305.378 0.314 50 0 DCAAMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000072278382 191100369 /nfs/dbraw/zinc/10/03/69/191100369.db2.gz RLLGBQQFIKVDSB-CYBMUJFWSA-N 1 1 318.377 0.342 50 0 DCAAMO COCC[C@H](CO)NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000225585035 186280422 /nfs/dbraw/zinc/28/04/22/186280422.db2.gz YFQDUVWOVLNMGY-OLZOCXBDSA-N 1 1 301.431 0.803 50 0 DCAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](CCCO)C1 ZINC000072420127 191156574 /nfs/dbraw/zinc/15/65/74/191156574.db2.gz UOSQPJDWYQNUKV-AWEZNQCLSA-N 1 1 323.441 0.209 50 0 DCAAMO Cc1nc(NCCNC(=O)c2ncccn2)cc(N(C)C)[nH+]1 ZINC000072437816 191166527 /nfs/dbraw/zinc/16/65/27/191166527.db2.gz GTTAFSVRHNKYOI-UHFFFAOYSA-N 1 1 301.354 0.483 50 0 DCAAMO Cc1nn(CCNC(=O)[C@H]2[NH2+]CCc3nc[nH]c32)c(C)c1Cl ZINC000072478269 191179004 /nfs/dbraw/zinc/17/90/04/191179004.db2.gz TWTLTEBXGXARFW-ZDUSSCGKSA-N 1 1 322.800 0.880 50 0 DCAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(Cc3cccs3)C2=O)CC1 ZINC000004704127 181139946 /nfs/dbraw/zinc/13/99/46/181139946.db2.gz HASOUSDLYGRKBC-GFCCVEGCSA-N 1 1 321.402 0.573 50 0 DCAAMO O=C([C@@H]1COCC[NH2+]1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000237819179 202362865 /nfs/dbraw/zinc/36/28/65/202362865.db2.gz XQRFVIGMBSFKAR-ZDUSSCGKSA-N 1 1 311.332 0.602 50 0 DCAAMO CC[N@@H+](CCO)C[C@@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006605258 181360228 /nfs/dbraw/zinc/36/02/28/181360228.db2.gz FYGXAEXGQKRFQJ-CQSZACIVSA-N 1 1 313.394 0.896 50 0 DCAAMO Cc1nonc1C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091644953 193083555 /nfs/dbraw/zinc/08/35/55/193083555.db2.gz ZZQLIKOVLHPZCQ-UHFFFAOYSA-N 1 1 308.382 0.575 50 0 DCAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2cn(CCO)nc2C)C1 ZINC000091646123 193084846 /nfs/dbraw/zinc/08/48/46/193084846.db2.gz ISIMAVRQOUNGAH-INIZCTEOSA-N 1 1 311.426 0.795 50 0 DCAAMO O=C(C[NH+]1CCC2(CC1)OCCC[C@H]2O)NCc1ccccn1 ZINC000091690248 193091028 /nfs/dbraw/zinc/09/10/28/193091028.db2.gz JBNWOSFQRNCTBF-OAHLLOKOSA-N 1 1 319.405 0.704 50 0 DCAAMO COCC1(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)CCC1 ZINC000091781514 193106776 /nfs/dbraw/zinc/10/67/76/193106776.db2.gz RVOGYJFUMPXHDO-QGZVFWFLSA-N 1 1 323.437 0.616 50 0 DCAAMO CC(C)Cc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)n(C)n1 ZINC000091974217 193135375 /nfs/dbraw/zinc/13/53/75/193135375.db2.gz UTBDRYGPWABEGX-UHFFFAOYSA-N 1 1 321.469 0.986 50 0 DCAAMO CC[N@@H+](C)[C@H](C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000229814384 284368676 /nfs/dbraw/zinc/36/86/76/284368676.db2.gz OPJFROGJMOZCGY-KGLIPLIRSA-N 1 1 305.378 0.392 50 0 DCAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(Cc3cccs3)C2=O)CC1 ZINC000018271521 182101360 /nfs/dbraw/zinc/10/13/60/182101360.db2.gz HASOUSDLYGRKBC-LBPRGKRZSA-N 1 1 321.402 0.573 50 0 DCAAMO COC(=O)c1ccc(NC(=O)CN2CC[NH+](CCO)CC2)cc1 ZINC000019881450 182159662 /nfs/dbraw/zinc/15/96/62/182159662.db2.gz UXWQZMXCEWGJOC-UHFFFAOYSA-N 1 1 321.377 0.022 50 0 DCAAMO COc1cc(C)c(CN2CC[NH+](C[C@H](O)CO)CC2)cc1OC ZINC000022780793 182334354 /nfs/dbraw/zinc/33/43/54/182334354.db2.gz FVKVSBKVYGIOQT-HNNXBMFYSA-N 1 1 324.421 0.483 50 0 DCAAMO CNC(=O)C1CC[NH+]([C@@H](C(=O)NC(N)=O)c2ccccc2)CC1 ZINC000024781908 182390904 /nfs/dbraw/zinc/39/09/04/182390904.db2.gz WAQLILBBKHHBAZ-CYBMUJFWSA-N 1 1 318.377 0.381 50 0 DCAAMO CC(C)[C@H](CNC(=O)CNC(=O)C(C)(C)C)[NH+]1CCOCC1 ZINC000042028571 183230261 /nfs/dbraw/zinc/23/02/61/183230261.db2.gz IBSAJBPUBDATIQ-ZDUSSCGKSA-N 1 1 313.442 0.622 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000043822458 183386756 /nfs/dbraw/zinc/38/67/56/183386756.db2.gz TUNPWVFGNOKLCP-HNNXBMFYSA-N 1 1 323.441 0.918 50 0 DCAAMO C[C@H](CNC(=O)N[C@H](C)c1nncn1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106567706 194231970 /nfs/dbraw/zinc/23/19/70/194231970.db2.gz 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/nfs/dbraw/zinc/24/92/18/257249218.db2.gz JUSFSSKLKNAFOF-JTQLQIEISA-N 1 1 300.790 0.948 50 0 DCAAMO O=C(Cc1nc2ccccc2[nH]1)N1CC[NH+](CCCO)CC1 ZINC000426490166 257249430 /nfs/dbraw/zinc/24/94/30/257249430.db2.gz HBMNJPGGFAROCU-UHFFFAOYSA-N 1 1 302.378 0.632 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1 ZINC000252475209 257258952 /nfs/dbraw/zinc/25/89/52/257258952.db2.gz VYJHEEPOWIRGTH-QLFBSQMISA-N 1 1 314.426 0.486 50 0 DCAAMO Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC[NH+](C)CC1 ZINC000014031438 395689053 /nfs/dbraw/zinc/68/90/53/395689053.db2.gz YWQOUNULILBYME-NSHDSACASA-N 1 1 308.407 0.363 50 0 DCAAMO C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000002442813 395681591 /nfs/dbraw/zinc/68/15/91/395681591.db2.gz QRMMPFGUQVKAQQ-JTQLQIEISA-N 1 1 313.361 0.811 50 0 DCAAMO COCCNC(=O)NC(=O)C[N@@H+](C)CCCOc1ccccc1 ZINC000029852967 395700337 /nfs/dbraw/zinc/70/03/37/395700337.db2.gz GLSSZESMXXXCJF-UHFFFAOYSA-N 1 1 323.393 0.860 50 0 DCAAMO C[N@@H+](CCO)C[C@@H]1COCCN1C(=O)COc1ccccc1 ZINC000085469920 395700939 /nfs/dbraw/zinc/70/09/39/395700939.db2.gz LRWKUFXXAZKWMX-CQSZACIVSA-N 1 1 308.378 0.217 50 0 DCAAMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2cnccn2)CC1 ZINC000085468088 395700993 /nfs/dbraw/zinc/70/09/93/395700993.db2.gz DPCNFZFMBYJARG-AWEZNQCLSA-N 1 1 317.437 0.965 50 0 DCAAMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(O)cc2)CC1 ZINC000031809021 395708355 /nfs/dbraw/zinc/70/83/55/395708355.db2.gz SYEMDVWQYWOKQY-UHFFFAOYSA-N 1 1 320.393 0.084 50 0 DCAAMO C[C@@H]([NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000032811066 395713668 /nfs/dbraw/zinc/71/36/68/395713668.db2.gz XZXJSMUNNTZUDI-MNOVXSKESA-N 1 1 314.382 0.780 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2nnc(C)s2)CC1 ZINC000089740820 395714472 /nfs/dbraw/zinc/71/44/72/395714472.db2.gz BIIPRYBSEUAQOJ-UHFFFAOYSA-N 1 1 312.399 0.178 50 0 DCAAMO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000089718321 395714500 /nfs/dbraw/zinc/71/45/00/395714500.db2.gz 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ZINC000097468142 395758096 /nfs/dbraw/zinc/75/80/96/395758096.db2.gz FFECGLQKONRYOG-CQSZACIVSA-N 1 1 305.378 0.251 50 0 DCAAMO Nc1ncccc1CN1CC[N@H+](C2CCOCC2)C[C@H](O)C1 ZINC000097757944 395760452 /nfs/dbraw/zinc/76/04/52/395760452.db2.gz VDTUEFOKSFPMJR-OAHLLOKOSA-N 1 1 306.410 0.321 50 0 DCAAMO COCC[NH+]1CCC2(CC1)CC[N@@H+](CCC(=O)[O-])C[C@@H]2CO ZINC000097797721 395761114 /nfs/dbraw/zinc/76/11/14/395761114.db2.gz HQYQYCHZQBWIHJ-CQSZACIVSA-N 1 1 314.426 0.504 50 0 DCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000219464643 395845358 /nfs/dbraw/zinc/84/53/58/395845358.db2.gz QMLJBNDRNAEVLV-RYUDHWBXSA-N 1 1 313.785 0.866 50 0 DCAAMO C[N@H+]1CCC[C@H](C(=O)NCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000219500801 395845511 /nfs/dbraw/zinc/84/55/11/395845511.db2.gz PJYRFGQIXCKJHJ-LBPRGKRZSA-N 1 1 314.389 0.924 50 0 DCAAMO O=C(CN1CCOCC1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000220685053 395849766 /nfs/dbraw/zinc/84/97/66/395849766.db2.gz LOKLNKNUDMFIBO-UHFFFAOYSA-N 1 1 318.421 0.448 50 0 DCAAMO O=C(CN1CCOCC1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000220685053 395849769 /nfs/dbraw/zinc/84/97/69/395849769.db2.gz LOKLNKNUDMFIBO-UHFFFAOYSA-N 1 1 318.421 0.448 50 0 DCAAMO CC(C)[C@H](NC(=O)CC[NH+]1CCN(C)CC1)c1ncnn1C ZINC000222819492 395853430 /nfs/dbraw/zinc/85/34/30/395853430.db2.gz OZDPYOVKTAPOJP-AWEZNQCLSA-N 1 1 308.430 0.266 50 0 DCAAMO CCC1(CO)CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000124330001 395900352 /nfs/dbraw/zinc/90/03/52/395900352.db2.gz YXDPKUIYZAQHPU-KGLIPLIRSA-N 1 1 313.442 0.900 50 0 DCAAMO CCC1(CO)CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000124330001 395900354 /nfs/dbraw/zinc/90/03/54/395900354.db2.gz YXDPKUIYZAQHPU-KGLIPLIRSA-N 1 1 313.442 0.900 50 0 DCAAMO C[NH+]1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000055169282 395912920 /nfs/dbraw/zinc/91/29/20/395912920.db2.gz VLZPTCAONQEOLC-UHFFFAOYSA-N 1 1 308.363 0.339 50 0 DCAAMO O=C(CC[NH+]1CCN(c2nc[nH]n2)CC1)Nc1nccs1 ZINC000244900249 395926904 /nfs/dbraw/zinc/92/69/04/395926904.db2.gz 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/nfs/dbraw/zinc/97/88/35/395978835.db2.gz WWBRNCNPONQIDQ-HZPDHXFCSA-N 1 1 308.426 0.431 50 0 DCAAMO COCC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1CO ZINC000253401814 396027055 /nfs/dbraw/zinc/02/70/55/396027055.db2.gz FWCWNTOTRHKVHJ-GXTWGEPZSA-N 1 1 312.797 0.895 50 0 DCAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1CO ZINC000253401814 396027058 /nfs/dbraw/zinc/02/70/58/396027058.db2.gz FWCWNTOTRHKVHJ-GXTWGEPZSA-N 1 1 312.797 0.895 50 0 DCAAMO C[C@@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@@H](C)[NH2+]1 ZINC000154114442 396031659 /nfs/dbraw/zinc/03/16/59/396031659.db2.gz FJNKUIINQUODGD-ZIAGYGMSSA-N 1 1 317.437 0.656 50 0 DCAAMO Cc1cc(C)cc(C[N@H+]2CC[C@@H](CNC(=O)CNC(N)=O)C2)c1 ZINC000067774835 396033030 /nfs/dbraw/zinc/03/30/30/396033030.db2.gz RZYSPIXYKJDXPI-AWEZNQCLSA-N 1 1 318.421 0.910 50 0 DCAAMO CC[NH+]1CCN(Cc2cc(C(=O)N(C)C[C@H](C)O)no2)CC1 ZINC000067805232 396034173 /nfs/dbraw/zinc/03/41/73/396034173.db2.gz XKBZBICWNHWOJG-LBPRGKRZSA-N 1 1 310.398 0.265 50 0 DCAAMO CCn1ccnc1C[N@@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000257366164 396046921 /nfs/dbraw/zinc/04/69/21/396046921.db2.gz LYXQXWBKSXYBJK-NHYWBVRUSA-N 1 1 305.382 0.713 50 0 DCAAMO CCn1ccnc1C[N@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000257366164 396046923 /nfs/dbraw/zinc/04/69/23/396046923.db2.gz LYXQXWBKSXYBJK-NHYWBVRUSA-N 1 1 305.382 0.713 50 0 DCAAMO CS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068525193 396058745 /nfs/dbraw/zinc/05/87/45/396058745.db2.gz OHQPNOGOFGALFZ-GFCCVEGCSA-N 1 1 317.455 0.449 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000249703434 396011220 /nfs/dbraw/zinc/01/12/20/396011220.db2.gz ZXJQMAQVELKZHL-BFHYXJOUSA-N 1 1 314.451 0.896 50 0 DCAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000069739780 396088613 /nfs/dbraw/zinc/08/86/13/396088613.db2.gz HDJNIAHUZQBZTA-INIZCTEOSA-N 1 1 324.396 0.910 50 0 DCAAMO CC[C@@H]1CN(CC(=O)NC2CCOCC2)CC[N@H+]1CCOC ZINC000069738026 396088904 /nfs/dbraw/zinc/08/89/04/396088904.db2.gz 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/nfs/dbraw/zinc/09/36/01/396093601.db2.gz BJZRYEAPUAHGDZ-ZDUSSCGKSA-N 1 1 303.366 0.155 50 0 DCAAMO C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000069922881 396095142 /nfs/dbraw/zinc/09/51/42/396095142.db2.gz CYKKRSPCLIYHGC-UONOGXRCSA-N 1 1 314.426 0.486 50 0 DCAAMO Cc1cnc(C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)cn1 ZINC000069929180 396095615 /nfs/dbraw/zinc/09/56/15/396095615.db2.gz SGBGOBMKUZDOQG-CQSZACIVSA-N 1 1 306.410 0.950 50 0 DCAAMO COCCOc1cccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000069947245 396095724 /nfs/dbraw/zinc/09/57/24/396095724.db2.gz ZGDXZPGJVACSDC-CQSZACIVSA-N 1 1 322.405 0.850 50 0 DCAAMO NC(=O)C[NH+]1CCC(NC(=O)CCCOc2ccccc2)CC1 ZINC000071795927 396115550 /nfs/dbraw/zinc/11/55/50/396115550.db2.gz SUDWYZWJMVFULO-UHFFFAOYSA-N 1 1 319.405 0.912 50 0 DCAAMO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839861 396118571 /nfs/dbraw/zinc/11/85/71/396118571.db2.gz AQPNWICGBZHVEG-LBPRGKRZSA-N 1 1 320.393 0.001 50 0 DCAAMO 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ZINC000076055549 396195110 /nfs/dbraw/zinc/19/51/10/396195110.db2.gz ZZLMRJKDPZXNCX-YWPYICTPSA-N 1 1 321.425 0.923 50 0 DCAAMO C[C@]1([C@@H]2CCC[N@@H+](CCc3ccncc3)C2)NC(=O)NC1=O ZINC000076059291 396196021 /nfs/dbraw/zinc/19/60/21/396196021.db2.gz FFRUIKUBULLSJD-CZUORRHYSA-N 1 1 302.378 0.934 50 0 DCAAMO O[C@@]1(C[NH2+]Cc2ccc(-n3cccn3)cc2)CNCCOC1 ZINC000077321839 396218649 /nfs/dbraw/zinc/21/86/49/396218649.db2.gz XUBAJBIFURQLPB-MRXNPFEDSA-N 1 1 302.378 0.313 50 0 DCAAMO Cc1cc(C)n(CC[N@@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000084104732 396318064 /nfs/dbraw/zinc/31/80/64/396318064.db2.gz UTAWKGRNENGKHI-INIZCTEOSA-N 1 1 319.409 0.905 50 0 DCAAMO CCCn1c(=O)[nH]c([O-])c([C@H]2[NH2+]CCc3ccccc32)c1=O ZINC000020567685 415155233 /nfs/dbraw/zinc/15/52/33/415155233.db2.gz YPBRTCKFSSBNMX-ZDUSSCGKSA-N 1 1 301.346 0.887 50 0 DCAAMO CCCc1cc(C(=O)NC2CC[NH+](CC(=O)NC)CC2)[nH]n1 ZINC000025234407 415160528 /nfs/dbraw/zinc/16/05/28/415160528.db2.gz KKVNKJXGGLDOQQ-UHFFFAOYSA-N 1 1 307.398 0.302 50 0 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/nfs/dbraw/zinc/43/94/49/415439449.db2.gz PENWKBSUJLVGEL-UHFFFAOYSA-N 1 1 317.393 0.795 50 0 DCAAMO CCN1C[C@@H](c2nc(CN3CC[NH+](C)CC3)no2)CCC1=O ZINC000095368085 415552205 /nfs/dbraw/zinc/55/22/05/415552205.db2.gz XJVGRNAGWAINEF-LBPRGKRZSA-N 1 1 307.398 0.543 50 0 DCAAMO NC(=O)c1cc([C@H]2CCC[N@@H+](CCOC[C@@H]3CCCO3)C2)n[nH]1 ZINC000095402700 415559174 /nfs/dbraw/zinc/55/91/74/415559174.db2.gz HLGPNFAEHWZUSW-STQMWFEESA-N 1 1 322.409 0.884 50 0 DCAAMO Cc1nc(C[C@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)no1 ZINC000095958189 415568278 /nfs/dbraw/zinc/56/82/78/415568278.db2.gz BCAYOYMFQAFAIT-GFCCVEGCSA-N 1 1 306.366 0.782 50 0 DCAAMO O=C(NCCc1cccnc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000106838832 415648668 /nfs/dbraw/zinc/64/86/68/415648668.db2.gz LLAUBHNATRJRIJ-GJZGRUSLSA-N 1 1 304.394 0.787 50 0 DCAAMO OCc1ccc(CN2CCN(c3cc[nH+]cc3)C[C@H](O)C2)o1 ZINC000097137123 415585023 /nfs/dbraw/zinc/58/50/23/415585023.db2.gz IODDXVWFTLOPKY-CQSZACIVSA-N 1 1 303.362 0.850 50 0 DCAAMO 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/nfs/dbraw/zinc/18/43/28/276184328.db2.gz GFTQCWCADGIKDP-KBPBESRZSA-N 1 1 309.410 0.873 50 0 DCAAMO CC[C@H]1CN(CCCS(=O)(=O)N(C)C)CC[N@H+]1C[C@H](C)O ZINC000106906951 288287747 /nfs/dbraw/zinc/28/77/47/288287747.db2.gz LBKJNKXHPIISDR-KBPBESRZSA-N 1 1 321.487 0.045 50 0 DCAAMO O=C(c1cn2cccnc2n1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000084614951 545701818 /nfs/dbraw/zinc/70/18/18/545701818.db2.gz XJCVYLMUNAIRIB-ZIAGYGMSSA-N 1 1 315.377 0.401 50 0 DCAAMO CN(C)c1nc(NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)cc[nH+]1 ZINC000685940634 548747253 /nfs/dbraw/zinc/74/72/53/548747253.db2.gz FALQTWCXTQBERD-QJPTWQEYSA-N 1 1 317.397 0.638 50 0 DCAAMO Cc1cc(C)nc(CCNC(=O)[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000426647397 661688559 /nfs/dbraw/zinc/68/85/59/661688559.db2.gz WEPGJMBMZIZFPI-CQSZACIVSA-N 1 1 305.426 0.388 50 0 DCAAMO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000067895603 665354572 /nfs/dbraw/zinc/35/45/72/665354572.db2.gz BRXQOACENMIRHK-RYUDHWBXSA-N 1 1 300.366 0.119 50 0 DCAAMO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000067895603 665354573 /nfs/dbraw/zinc/35/45/73/665354573.db2.gz BRXQOACENMIRHK-RYUDHWBXSA-N 1 1 300.366 0.119 50 0 DCAAMO CC(=O)N1CCN(C(=O)C[NH2+]C(C)(C)c2ncc(C)s2)CC1 ZINC000183934224 666153859 /nfs/dbraw/zinc/15/38/59/666153859.db2.gz OSAHDMHKXADEIR-UHFFFAOYSA-N 1 1 324.450 0.967 50 0 DCAAMO COCC[NH+](CCOC)C1CN(C(=O)[C@@H](C)CSC)C1 ZINC000863948061 667197063 /nfs/dbraw/zinc/19/70/63/667197063.db2.gz YLSFTUIEEFMQAS-LBPRGKRZSA-N 1 1 304.456 0.791 50 0 DCAAMO CN1C(=O)[C@H]2COC[C@@H]1C[N@H+](Cc1ccccc1OCCO)C2 ZINC001772702256 1157840581 /nfs/dbraw/zinc/84/05/81/1157840581.db2.gz QQUKQZFITORLAF-CABCVRRESA-N 1 1 320.389 0.347 50 0 DCAAMO Cc1nc(C[N@@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)cc(=O)[nH]1 ZINC001704342025 1179979284 /nfs/dbraw/zinc/97/92/84/1179979284.db2.gz CASRYXUIRUOVCQ-UKRRQHHQSA-N 1 1 300.362 0.921 50 0 DCAAMO CCC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCC(OC)CC2)C1 ZINC000822922796 758213981 /nfs/dbraw/zinc/21/39/81/758213981.db2.gz 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/nfs/dbraw/zinc/92/30/07/768923007.db2.gz DLRRXJJMGQVPHL-ZDUSSCGKSA-N 1 1 302.382 0.635 50 0 DCAAMO O=C(Cn1cccn1)NC[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000952861159 768923015 /nfs/dbraw/zinc/92/30/15/768923015.db2.gz DLRRXJJMGQVPHL-ZDUSSCGKSA-N 1 1 302.382 0.635 50 0 DCAAMO O=C(Cn1cccn1)NC[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000952861159 768923018 /nfs/dbraw/zinc/92/30/18/768923018.db2.gz DLRRXJJMGQVPHL-ZDUSSCGKSA-N 1 1 302.382 0.635 50 0 DCAAMO O=C(Cn1cccn1)NC[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000952861159 768923024 /nfs/dbraw/zinc/92/30/24/768923024.db2.gz DLRRXJJMGQVPHL-ZDUSSCGKSA-N 1 1 302.382 0.635 50 0 DCAAMO COc1ncccc1C[N@@H+]1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529118877 1014499414 /nfs/dbraw/zinc/49/94/14/1014499414.db2.gz PJNZOGJCVSWPQV-UKRRQHHQSA-N 1 1 300.362 0.916 50 0 DCAAMO C[N@H+](CCCCOc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001529174159 1014513682 /nfs/dbraw/zinc/51/36/82/1014513682.db2.gz QALZBXIPFHADHO-HUUCEWRRSA-N 1 1 313.419 0.935 50 0 DCAAMO C[N@@H+](CCCCOc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001529174159 1014513691 /nfs/dbraw/zinc/51/36/91/1014513691.db2.gz QALZBXIPFHADHO-HUUCEWRRSA-N 1 1 313.419 0.935 50 0 DCAAMO COCCN(CC[NH+](C)C)C(=O)c1n[nH]cc1Br ZINC000076993928 185064394 /nfs/dbraw/zinc/06/43/94/185064394.db2.gz XHHZIONWWJDRPK-UHFFFAOYSA-N 1 1 319.203 0.822 50 0 DCAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2CCCS(N)(=O)=O)c1 ZINC000072253318 191087039 /nfs/dbraw/zinc/08/70/39/191087039.db2.gz ORIHRPIZTNUMHZ-ZDUSSCGKSA-N 1 1 300.428 0.725 50 0 DCAAMO CSc1ncc(CNC(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)n1C ZINC000072439900 191167328 /nfs/dbraw/zinc/16/73/28/191167328.db2.gz HPQZVBCAMUXGQP-LLVKDONJSA-N 1 1 306.395 0.368 50 0 DCAAMO CCOc1ccc(C[N@@H+]2CCN(CC(N)=O)C[C@@H]2CCO)cc1 ZINC000072480267 191181508 /nfs/dbraw/zinc/18/15/08/191181508.db2.gz AQCMNXAWGDGBEE-HNNXBMFYSA-N 1 1 321.421 0.439 50 0 DCAAMO CCOc1ccc(C[N@H+]2CCN(CC(N)=O)C[C@@H]2CCO)cc1 ZINC000072480267 191181510 /nfs/dbraw/zinc/18/15/10/191181510.db2.gz AQCMNXAWGDGBEE-HNNXBMFYSA-N 1 1 321.421 0.439 50 0 DCAAMO CCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@H]2C)c(=O)n(C)c1=O ZINC000003565035 181035627 /nfs/dbraw/zinc/03/56/27/181035627.db2.gz SPXDTWKXOONXED-LLVKDONJSA-N 1 1 322.409 0.596 50 0 DCAAMO CCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@H]2C)c(=O)n(C)c1=O ZINC000003565035 181035631 /nfs/dbraw/zinc/03/56/31/181035631.db2.gz SPXDTWKXOONXED-LLVKDONJSA-N 1 1 322.409 0.596 50 0 DCAAMO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CC[NH2+]1 ZINC000187154762 200069373 /nfs/dbraw/zinc/06/93/73/200069373.db2.gz FXELPRZIGJWSKS-SNVBAGLBSA-N 1 1 318.420 0.073 50 0 DCAAMO Cn1c(CCNC(=O)[C@H]2COCC[NH2+]2)nc2ccc(F)cc21 ZINC000237737481 202342808 /nfs/dbraw/zinc/34/28/08/202342808.db2.gz VTQVNQKBEKIEBI-GFCCVEGCSA-N 1 1 306.341 0.360 50 0 DCAAMO CC[N@@H+](C)C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1CO ZINC000091410369 193052509 /nfs/dbraw/zinc/05/25/09/193052509.db2.gz OTHXFAPLTDIWEL-ZIAGYGMSSA-N 1 1 316.409 0.659 50 0 DCAAMO Cc1ccc[nH+]c1N1CCN(C(=O)CCc2nncn2C)CC1 ZINC000091563313 193073939 /nfs/dbraw/zinc/07/39/39/193073939.db2.gz VWRYHKXOOQSYKN-UHFFFAOYSA-N 1 1 314.393 0.800 50 0 DCAAMO CC[N@@H+](CCO)C[C@@H]1CN(c2noc(C(C)C)n2)C[C@@H]1CO ZINC000091468793 193060015 /nfs/dbraw/zinc/06/00/15/193060015.db2.gz MMLRVSNJDUMUOK-CHWSQXEVSA-N 1 1 312.414 0.552 50 0 DCAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC000091620928 193080976 /nfs/dbraw/zinc/08/09/76/193080976.db2.gz ISOHFSLZJAISKH-VXGBXAGGSA-N 1 1 320.393 0.020 50 0 DCAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(CC(=O)NCc1ccco1)C2 ZINC000091830399 193114224 /nfs/dbraw/zinc/11/42/24/193114224.db2.gz ZMTQUDMLERMBSB-LSDHHAIUSA-N 1 1 321.421 0.938 50 0 DCAAMO CCc1nc(N)nc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000091847961 193117255 /nfs/dbraw/zinc/11/72/55/193117255.db2.gz TYXJTGFYAXQSHE-GFCCVEGCSA-N 1 1 320.441 0.929 50 0 DCAAMO CCc1nc(N)nc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000091847961 193117256 /nfs/dbraw/zinc/11/72/56/193117256.db2.gz TYXJTGFYAXQSHE-GFCCVEGCSA-N 1 1 320.441 0.929 50 0 DCAAMO CN(C[C@H](O)C[N@H+]1CC[C@H](CCO)C1)C(=O)OC(C)(C)C ZINC000496829874 241260134 /nfs/dbraw/zinc/26/01/34/241260134.db2.gz BBMFBHBBRYWSRG-OLZOCXBDSA-N 1 1 302.415 0.919 50 0 DCAAMO CSc1ncc(CN2CC[C@@H]([NH+]3CCOCC3)[C@H](O)C2)cn1 ZINC000019221729 182108209 /nfs/dbraw/zinc/10/82/09/182108209.db2.gz ZFARTHXYYQVBLJ-ZIAGYGMSSA-N 1 1 324.450 0.466 50 0 DCAAMO O=C1C[C@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019335212 182117225 /nfs/dbraw/zinc/11/72/25/182117225.db2.gz MUHWOSCKXTZLGL-AWEZNQCLSA-N 1 1 321.352 0.068 50 0 DCAAMO OCC[NH+]1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000020784348 182247396 /nfs/dbraw/zinc/24/73/96/182247396.db2.gz HRVUVUONYZQBES-UHFFFAOYSA-N 1 1 320.368 0.909 50 0 DCAAMO Cc1nc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)nc1C ZINC000023360372 182358834 /nfs/dbraw/zinc/35/88/34/182358834.db2.gz YXOQXWMMQJYIKQ-HOTGVXAUSA-N 1 1 306.410 0.279 50 0 DCAAMO Cc1nc(C)c(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)nc1C ZINC000023360372 182358836 /nfs/dbraw/zinc/35/88/36/182358836.db2.gz YXOQXWMMQJYIKQ-HOTGVXAUSA-N 1 1 306.410 0.279 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)c1cnn(-c2ccccc2)n1 ZINC000040460928 183069542 /nfs/dbraw/zinc/06/95/42/183069542.db2.gz XIWPIOFZCPJWCA-UHFFFAOYSA-N 1 1 315.377 0.719 50 0 DCAAMO O=C(Cn1cnnn1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000041936118 183225999 /nfs/dbraw/zinc/22/59/99/183225999.db2.gz OAPOBPCVTWJIJH-UHFFFAOYSA-N 1 1 306.395 0.469 50 0 DCAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cccnc1 ZINC000042394556 183263694 /nfs/dbraw/zinc/26/36/94/183263694.db2.gz WYFCIRSYNQDMAA-LSDHHAIUSA-N 1 1 305.378 0.549 50 0 DCAAMO COc1cccc(CC(=O)N2CC[NH+](CCC(N)=O)CC2)c1 ZINC000058332464 184106538 /nfs/dbraw/zinc/10/65/38/184106538.db2.gz DDRQZHOIJSKZNE-UHFFFAOYSA-N 1 1 305.378 0.257 50 0 DCAAMO COc1ccccc1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC000065383720 184332481 /nfs/dbraw/zinc/33/24/81/184332481.db2.gz RWCMFQNDZIZIGY-UHFFFAOYSA-N 1 1 303.362 0.542 50 0 DCAAMO COc1ccccc1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC000065383720 184332483 /nfs/dbraw/zinc/33/24/83/184332483.db2.gz RWCMFQNDZIZIGY-UHFFFAOYSA-N 1 1 303.362 0.542 50 0 DCAAMO CN(C)c1ncnc2c1C[N@H+](C[C@H](O)Cn1cccn1)CC2 ZINC000065453742 184346930 /nfs/dbraw/zinc/34/69/30/184346930.db2.gz RKZDKUIWAPXBIW-LBPRGKRZSA-N 1 1 302.382 0.158 50 0 DCAAMO CN(C)c1ncnc2c1C[N@@H+](C[C@H](O)Cn1cccn1)CC2 ZINC000065453742 184346932 /nfs/dbraw/zinc/34/69/32/184346932.db2.gz RKZDKUIWAPXBIW-LBPRGKRZSA-N 1 1 302.382 0.158 50 0 DCAAMO OCCC[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000045944820 285254146 /nfs/dbraw/zinc/25/41/46/285254146.db2.gz QEOBLVOFJIKOIM-UHFFFAOYSA-N 1 1 301.188 0.744 50 0 DCAAMO COc1ccc(C[N@@H+](C)C[C@@H](O)CO)cc1Cn1cccn1 ZINC000216507347 257273368 /nfs/dbraw/zinc/27/33/68/257273368.db2.gz PGCPDXOHJHXGCX-OAHLLOKOSA-N 1 1 305.378 0.725 50 0 DCAAMO O=C(Cn1ccnn1)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000426496649 257248867 /nfs/dbraw/zinc/24/88/67/257248867.db2.gz GHKLILOOADGUSR-CQSZACIVSA-N 1 1 300.366 0.454 50 0 DCAAMO O=C(Cn1ccnn1)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000426496649 257248869 /nfs/dbraw/zinc/24/88/69/257248869.db2.gz GHKLILOOADGUSR-CQSZACIVSA-N 1 1 300.366 0.454 50 0 DCAAMO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)C(=O)c1ccco1)CC2 ZINC000426488233 257249571 /nfs/dbraw/zinc/24/95/71/257249571.db2.gz MKZYIIQVPSPUBE-UHFFFAOYSA-N 1 1 319.361 0.275 50 0 DCAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)C(=O)c1ccco1)CC2 ZINC000426488233 257249572 /nfs/dbraw/zinc/24/95/72/257249572.db2.gz MKZYIIQVPSPUBE-UHFFFAOYSA-N 1 1 319.361 0.275 50 0 DCAAMO Cn1cc[nH+]c1N1CCN(CC(=O)NCc2ccco2)CC1 ZINC000013694361 395688888 /nfs/dbraw/zinc/68/88/88/395688888.db2.gz VHSDLYDMYSWYPF-UHFFFAOYSA-N 1 1 303.366 0.452 50 0 DCAAMO CN(C)c1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccn1 ZINC000089322961 395709774 /nfs/dbraw/zinc/70/97/74/395709774.db2.gz QYMHVZSJZHURSY-CABCVRRESA-N 1 1 318.421 0.819 50 0 DCAAMO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000032652119 395711878 /nfs/dbraw/zinc/71/18/78/395711878.db2.gz XOQYSMOFFFWRRK-AAEUAGOBSA-N 1 1 324.425 0.588 50 0 DCAAMO Cc1ccc(CNC(=O)NC2CC[NH+](CC(N)=O)CC2)n1C ZINC000089652236 395714052 /nfs/dbraw/zinc/71/40/52/395714052.db2.gz WCULYBOFPBVGPW-UHFFFAOYSA-N 1 1 307.398 0.082 50 0 DCAAMO CN1C(=O)N[C@](C)([C@H]2CCC[N@@H+](CCn3cccn3)C2)C1=O ZINC000089914265 395716658 /nfs/dbraw/zinc/71/66/58/395716658.db2.gz LNQBNYBNJPXQRZ-SWLSCSKDSA-N 1 1 305.382 0.535 50 0 DCAAMO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000029455126 395698063 /nfs/dbraw/zinc/69/80/63/395698063.db2.gz VXDUIPZGAAABTF-ZDUSSCGKSA-N 1 1 302.440 0.802 50 0 DCAAMO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000029455126 395698064 /nfs/dbraw/zinc/69/80/64/395698064.db2.gz VXDUIPZGAAABTF-ZDUSSCGKSA-N 1 1 302.440 0.802 50 0 DCAAMO O=C(c1cnn2cccnc12)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000084614910 395698158 /nfs/dbraw/zinc/69/81/58/395698158.db2.gz NVERGPBCQGIPSU-ZIAGYGMSSA-N 1 1 315.377 0.401 50 0 DCAAMO CCNC(=O)CC[N@H+]1CC[C@H](N(Cc2noc(C)n2)C(C)=O)C1 ZINC000095402378 395740340 /nfs/dbraw/zinc/74/03/40/395740340.db2.gz RINXCFCSICTLBL-ZDUSSCGKSA-N 1 1 323.397 0.327 50 0 DCAAMO Cn1cccc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H](O)C1 ZINC000097514290 395758630 /nfs/dbraw/zinc/75/86/30/395758630.db2.gz GGURUDDIIDOCGD-CQSZACIVSA-N 1 1 307.394 0.323 50 0 DCAAMO CNc1cc[nH+]c(N2CCN(C(=O)N3CCCC3)C[C@@H](O)C2)n1 ZINC000097698701 395760498 /nfs/dbraw/zinc/76/04/98/395760498.db2.gz SHBSNJUYVIMGDD-LBPRGKRZSA-N 1 1 320.397 0.217 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCc3ccccc32)CC1 ZINC000048326386 395813486 /nfs/dbraw/zinc/81/34/86/395813486.db2.gz KKYQRCNVTIAFSQ-UHFFFAOYSA-N 1 1 316.405 0.969 50 0 DCAAMO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](C1CCOCC1)C2 ZINC000219511352 395845674 /nfs/dbraw/zinc/84/56/74/395845674.db2.gz LAACYMQRTOICIG-MRXNPFEDSA-N 1 1 308.426 0.863 50 0 DCAAMO COc1ccc(CC(=O)NC[C@H]2COCC[N@@H+](C)C2)cc1OC ZINC000223340261 395855306 /nfs/dbraw/zinc/85/53/06/395855306.db2.gz GBEPAQVLKBRHAO-CQSZACIVSA-N 1 1 322.405 0.941 50 0 DCAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2nccnc2N)cn1 ZINC000054625717 395903829 /nfs/dbraw/zinc/90/38/29/395903829.db2.gz KEUDKFJEGMHFFP-UHFFFAOYSA-N 1 1 309.333 0.878 50 0 DCAAMO CCc1nnc(NC(=O)CC[N@@H+](C)C[C@@H]2COCCO2)s1 ZINC000244817217 395925346 /nfs/dbraw/zinc/92/53/46/395925346.db2.gz SWGWZRMDMYHHMB-SNVBAGLBSA-N 1 1 314.411 0.776 50 0 DCAAMO NC(=O)C[N@H+](CC(=O)NCCOc1ccccc1)C1CCCC1 ZINC000052826384 395870187 /nfs/dbraw/zinc/87/01/87/395870187.db2.gz NVQCQDYTSXAREM-UHFFFAOYSA-N 1 1 319.405 0.912 50 0 DCAAMO NC(=O)C[N@@H+](CC(=O)NCCOc1ccccc1)C1CCCC1 ZINC000052826384 395870189 /nfs/dbraw/zinc/87/01/89/395870189.db2.gz NVQCQDYTSXAREM-UHFFFAOYSA-N 1 1 319.405 0.912 50 0 DCAAMO C[C@H]1CCCC[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000052877414 395873069 /nfs/dbraw/zinc/87/30/69/395873069.db2.gz SKDWVLIFDJSHOA-LBPRGKRZSA-N 1 1 319.409 0.698 50 0 DCAAMO CCn1ccnc1CN1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000229306386 395874291 /nfs/dbraw/zinc/87/42/91/395874291.db2.gz XGUPLTHIODVOLO-HOCLYGCPSA-N 1 1 319.453 0.887 50 0 DCAAMO CCn1ccnc1C[N@H+]1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000229306386 395874295 /nfs/dbraw/zinc/87/42/95/395874295.db2.gz XGUPLTHIODVOLO-HOCLYGCPSA-N 1 1 319.453 0.887 50 0 DCAAMO CCn1ccnc1C[N@@H+]1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000229306386 395874298 /nfs/dbraw/zinc/87/42/98/395874298.db2.gz XGUPLTHIODVOLO-HOCLYGCPSA-N 1 1 319.453 0.887 50 0 DCAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1nc(N)n[nH]1 ZINC000230476962 395881583 /nfs/dbraw/zinc/88/15/83/395881583.db2.gz QLNOYJHBLOMBNT-LBPRGKRZSA-N 1 1 300.366 0.450 50 0 DCAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1nc(N)n[nH]1 ZINC000230476962 395881586 /nfs/dbraw/zinc/88/15/86/395881586.db2.gz QLNOYJHBLOMBNT-LBPRGKRZSA-N 1 1 300.366 0.450 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000248501281 395989204 /nfs/dbraw/zinc/98/92/04/395989204.db2.gz WJBKZTRALYELSX-UONOGXRCSA-N 1 1 311.426 0.328 50 0 DCAAMO CN(CCn1cccn1)c1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000065452574 395994135 /nfs/dbraw/zinc/99/41/35/395994135.db2.gz 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/nfs/dbraw/zinc/24/65/85/182246585.db2.gz QNZAZXXEWGOPCZ-AWEZNQCLSA-N 1 1 301.394 0.766 50 0 DCAAMO CC(C)C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)[NH+]1CCOCC1 ZINC000022969867 182344160 /nfs/dbraw/zinc/34/41/60/182344160.db2.gz QZHHEFIKPLOJSM-LBPRGKRZSA-N 1 1 308.382 0.659 50 0 DCAAMO COCCNC(=O)CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000023304238 182356381 /nfs/dbraw/zinc/35/63/81/182356381.db2.gz JKZFWVOMDPFJJO-UHFFFAOYSA-N 1 1 305.422 0.875 50 0 DCAAMO COCCNC(=O)CN1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000023304078 182356634 /nfs/dbraw/zinc/35/66/34/182356634.db2.gz WCSMGOLZGOXWID-UHFFFAOYSA-N 1 1 305.422 0.875 50 0 DCAAMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000040501500 183083195 /nfs/dbraw/zinc/08/31/95/183083195.db2.gz VXAHUUUEDGPKPC-NEPJUHHUSA-N 1 1 314.407 0.822 50 0 DCAAMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000040501500 183083199 /nfs/dbraw/zinc/08/31/99/183083199.db2.gz VXAHUUUEDGPKPC-NEPJUHHUSA-N 1 1 314.407 0.822 50 0 DCAAMO 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/nfs/dbraw/zinc/73/25/56/395732556.db2.gz CZGIUUOYWUCOHS-UHFFFAOYSA-N 1 1 306.410 0.678 50 0 DCAAMO C[C@@H](CCc1cccn1C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000096440119 395753416 /nfs/dbraw/zinc/75/34/16/395753416.db2.gz WYNPVGHFEOUGQP-GOEBONIOSA-N 1 1 321.469 0.891 50 0 DCAAMO CN1CCN(C(=O)CCC[NH2+]Cc2ccccc2)C[C@@H](O)C1 ZINC000097334162 395756834 /nfs/dbraw/zinc/75/68/34/395756834.db2.gz FZTHOKXTTLZSRS-INIZCTEOSA-N 1 1 305.422 0.691 50 0 DCAAMO CCC[N@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@H](O)C1 ZINC000097570951 395758668 /nfs/dbraw/zinc/75/86/68/395758668.db2.gz KAYANJLIPWUJIX-GFCCVEGCSA-N 1 1 306.410 0.817 50 0 DCAAMO Cc1ccnc(SCC(=O)NC[C@@H]2COCC[N@H+](C)C2)n1 ZINC000223901243 395857551 /nfs/dbraw/zinc/85/75/51/395857551.db2.gz KVHXHXCVNPVRCT-LBPRGKRZSA-N 1 1 310.423 0.572 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCCc2ccccc2O)C1 ZINC000055108363 395911522 /nfs/dbraw/zinc/91/15/22/395911522.db2.gz WWZSLRHNCUGWJK-CQSZACIVSA-N 1 1 319.405 0.638 50 0 DCAAMO 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396086925 /nfs/dbraw/zinc/08/69/25/396086925.db2.gz WSLYLGAYAQFSMF-HNNXBMFYSA-N 1 1 316.405 0.944 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069814071 396091129 /nfs/dbraw/zinc/09/11/29/396091129.db2.gz RIADGQZZGDRQSU-ZDUSSCGKSA-N 1 1 315.443 0.272 50 0 DCAAMO CCN1CCN(C2CC[NH+](CCCS(C)(=O)=O)CC2)C1=O ZINC000069848450 396092397 /nfs/dbraw/zinc/09/23/97/396092397.db2.gz IWXVYGALAKYRAY-UHFFFAOYSA-N 1 1 317.455 0.643 50 0 DCAAMO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)CC2 ZINC000069893002 396094055 /nfs/dbraw/zinc/09/40/55/396094055.db2.gz FWUIGUWZQOSWNL-GJZGRUSLSA-N 1 1 307.442 0.584 50 0 DCAAMO Cc1nc2n(n1)C[C@@H](NC[C@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000069893002 396094059 /nfs/dbraw/zinc/09/40/59/396094059.db2.gz FWUIGUWZQOSWNL-GJZGRUSLSA-N 1 1 307.442 0.584 50 0 DCAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000069971408 396097289 /nfs/dbraw/zinc/09/72/89/396097289.db2.gz VSFIWJDRZYCGAX-HNNXBMFYSA-N 1 1 319.409 0.248 50 0 DCAAMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000069971408 396097292 /nfs/dbraw/zinc/09/72/92/396097292.db2.gz VSFIWJDRZYCGAX-HNNXBMFYSA-N 1 1 319.409 0.248 50 0 DCAAMO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCN2C(=O)CNC2=O)n1 ZINC000070041022 396098862 /nfs/dbraw/zinc/09/88/62/396098862.db2.gz VFHIKAVKHMFYSK-AWEZNQCLSA-N 1 1 319.409 0.906 50 0 DCAAMO O[C@@H](Cn1nnc(-c2cccc(Cl)c2)n1)C[NH+]1CCOCC1 ZINC000071810521 396115561 /nfs/dbraw/zinc/11/55/61/396115561.db2.gz CQRBQPGBDUANSR-CYBMUJFWSA-N 1 1 323.784 0.687 50 0 DCAAMO Cc1ccnc2nc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)nn21 ZINC000071839844 396118675 /nfs/dbraw/zinc/11/86/75/396118675.db2.gz ZVTQBLHXMVEAIX-GFCCVEGCSA-N 1 1 300.366 0.743 50 0 DCAAMO Cc1ccnc2nc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)nn21 ZINC000071839844 396118680 /nfs/dbraw/zinc/11/86/80/396118680.db2.gz ZVTQBLHXMVEAIX-GFCCVEGCSA-N 1 1 300.366 0.743 50 0 DCAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000071870670 396120133 /nfs/dbraw/zinc/12/01/33/396120133.db2.gz 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396129797 /nfs/dbraw/zinc/12/97/97/396129797.db2.gz LXCYLGUWPJALRX-NSHDSACASA-N 1 1 320.397 0.726 50 0 DCAAMO NC(=O)NC(=O)CC[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000072291805 396129798 /nfs/dbraw/zinc/12/97/98/396129798.db2.gz LXCYLGUWPJALRX-NSHDSACASA-N 1 1 320.397 0.726 50 0 DCAAMO Cc1cc(NC(=O)CC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)no1 ZINC000069418239 396077818 /nfs/dbraw/zinc/07/78/18/396077818.db2.gz ZUNYBEOXKDATAE-CYBMUJFWSA-N 1 1 319.365 0.909 50 0 DCAAMO Cc1cc(NC(=O)CC[N@H+]2CCO[C@@H](Cn3cccn3)C2)no1 ZINC000069418239 396077821 /nfs/dbraw/zinc/07/78/21/396077821.db2.gz ZUNYBEOXKDATAE-CYBMUJFWSA-N 1 1 319.365 0.909 50 0 DCAAMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000069530670 396081835 /nfs/dbraw/zinc/08/18/35/396081835.db2.gz XIBDXAPXLQHMJH-ZDUSSCGKSA-N 1 1 300.366 0.876 50 0 DCAAMO Cc1cccc(C)c1-n1nnnc1CNC[C@@H]1C[N@H+](C)CCO1 ZINC000075133281 396176751 /nfs/dbraw/zinc/17/67/51/396176751.db2.gz QFSGVSLKNNDUCT-CQSZACIVSA-N 1 1 316.409 0.699 50 0 DCAAMO Cc1cccc(C)c1-n1nnnc1CNC[C@@H]1C[N@@H+](C)CCO1 ZINC000075133281 396176754 /nfs/dbraw/zinc/17/67/54/396176754.db2.gz QFSGVSLKNNDUCT-CQSZACIVSA-N 1 1 316.409 0.699 50 0 DCAAMO Cc1cccc(C)c1-n1nnnc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000075133281 396176760 /nfs/dbraw/zinc/17/67/60/396176760.db2.gz QFSGVSLKNNDUCT-CQSZACIVSA-N 1 1 316.409 0.699 50 0 DCAAMO CCc1noc(C[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)n1 ZINC000076058742 396195219 /nfs/dbraw/zinc/19/52/19/396195219.db2.gz DKSFSXHWJAYWIM-ZUZCIYMTSA-N 1 1 321.381 0.784 50 0 DCAAMO CCc1noc(C[N@H+]2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)n1 ZINC000076058742 396195222 /nfs/dbraw/zinc/19/52/22/396195222.db2.gz DKSFSXHWJAYWIM-ZUZCIYMTSA-N 1 1 321.381 0.784 50 0 DCAAMO Cc1cc([C@@H]2CCC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)[nH]n1 ZINC000078901152 396257595 /nfs/dbraw/zinc/25/75/95/396257595.db2.gz OHHRTOOWEGGPPQ-GFCCVEGCSA-N 1 1 317.393 0.495 50 0 DCAAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)n[nH]1 ZINC000078901152 396257598 /nfs/dbraw/zinc/25/75/98/396257598.db2.gz OHHRTOOWEGGPPQ-GFCCVEGCSA-N 1 1 317.393 0.495 50 0 DCAAMO Cc1cc([C@@H]2CCC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)n[nH]1 ZINC000078901152 396257601 /nfs/dbraw/zinc/25/76/01/396257601.db2.gz OHHRTOOWEGGPPQ-GFCCVEGCSA-N 1 1 317.393 0.495 50 0 DCAAMO O[C@@]1(C[NH2+]CCc2noc(-c3ccccc3)n2)CNCCOC1 ZINC000077485850 396223859 /nfs/dbraw/zinc/22/38/59/396223859.db2.gz IVTYYEUAPRFNAA-INIZCTEOSA-N 1 1 318.377 0.220 50 0 DCAAMO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(C(N)=O)CC2)on1 ZINC000048303788 415291152 /nfs/dbraw/zinc/29/11/52/415291152.db2.gz LHAJLXDLIWXEGX-ZDUSSCGKSA-N 1 1 320.393 0.844 50 0 DCAAMO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CCC(C(N)=O)CC2)on1 ZINC000048303788 415291161 /nfs/dbraw/zinc/29/11/61/415291161.db2.gz LHAJLXDLIWXEGX-ZDUSSCGKSA-N 1 1 320.393 0.844 50 0 DCAAMO COc1cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)nc(OC)n1 ZINC000067460260 415374526 /nfs/dbraw/zinc/37/45/26/415374526.db2.gz CXGDGQBEMAZWOD-LLVKDONJSA-N 1 1 308.382 0.956 50 0 DCAAMO Cc1ccc2cc(C[N@@H+]3CCO[C@@H](C(N)=O)C3)c(=O)[nH]c2c1 ZINC000067562290 415381390 /nfs/dbraw/zinc/38/13/90/415381390.db2.gz SAFTZYPSNFLOCL-CQSZACIVSA-N 1 1 301.346 0.523 50 0 DCAAMO Cc1ccc2cc(C[N@H+]3CCO[C@@H](C(N)=O)C3)c(=O)[nH]c2c1 ZINC000067562290 415381394 /nfs/dbraw/zinc/38/13/94/415381394.db2.gz SAFTZYPSNFLOCL-CQSZACIVSA-N 1 1 301.346 0.523 50 0 DCAAMO CCCC[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075572677 415447877 /nfs/dbraw/zinc/44/78/77/415447877.db2.gz KREMNMJVXDBJIK-UHFFFAOYSA-N 1 1 311.426 0.162 50 0 DCAAMO COc1ccc(CCC(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000075572229 415448034 /nfs/dbraw/zinc/44/80/34/415448034.db2.gz NUXDFXLVGRCROB-UHFFFAOYSA-N 1 1 310.369 0.903 50 0 DCAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 ZINC000095356276 415553728 /nfs/dbraw/zinc/55/37/28/415553728.db2.gz BWNWERACXQWRNV-ZIAGYGMSSA-N 1 1 319.405 0.777 50 0 DCAAMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cnc3ccsc3c2=O)C[C@H](C)O1 ZINC000106830524 415649194 /nfs/dbraw/zinc/64/91/94/415649194.db2.gz 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O=S(=O)(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000108053996 415676806 /nfs/dbraw/zinc/67/68/06/415676806.db2.gz UJKBANJHWMJPCG-HOCLYGCPSA-N 1 1 324.446 0.951 50 0 DCAAMO Nc1nc(N2CCc3n[nH]c(CO)c3C2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299762525 416065690 /nfs/dbraw/zinc/06/56/90/416065690.db2.gz WYOOEOBAPMEHLN-SECBINFHSA-N 1 1 316.365 0.341 50 0 DCAAMO COCCOc1cccc(NC(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)c1 ZINC000299764316 416066169 /nfs/dbraw/zinc/06/61/69/416066169.db2.gz ZLVLIQJQHFALND-KGLIPLIRSA-N 1 1 323.393 0.898 50 0 DCAAMO CC(C)[NH+]1CCC2(CC[C@@H](CNC(=O)c3ncn[nH]3)O2)CC1 ZINC000299793966 416070308 /nfs/dbraw/zinc/07/03/08/416070308.db2.gz IOEFKBZHUPPWLB-LBPRGKRZSA-N 1 1 307.398 0.957 50 0 DCAAMO CC(C)[NH+]1CCC2(CC[C@@H](CNC(=O)c3nc[nH]n3)O2)CC1 ZINC000299793966 416070312 /nfs/dbraw/zinc/07/03/12/416070312.db2.gz IOEFKBZHUPPWLB-LBPRGKRZSA-N 1 1 307.398 0.957 50 0 DCAAMO Cc1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)on1 ZINC000188110707 416262612 /nfs/dbraw/zinc/26/26/12/416262612.db2.gz ABBBSVBSOGFYSQ-LBPRGKRZSA-N 1 1 310.398 0.970 50 0 DCAAMO Cc1cncnc1C1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000216166124 416327584 /nfs/dbraw/zinc/32/75/84/416327584.db2.gz ADPXGRCVJUCSEP-OAHLLOKOSA-N 1 1 318.421 0.948 50 0 DCAAMO CC(=O)N1CCCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426477374 416772859 /nfs/dbraw/zinc/77/28/59/416772859.db2.gz KYCOUCQRMNIJAO-LBPRGKRZSA-N 1 1 305.382 0.621 50 0 DCAAMO CCSCCNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426550718 416774406 /nfs/dbraw/zinc/77/44/06/416774406.db2.gz ZOEHOACOWAYDMY-NSHDSACASA-N 1 1 324.450 1.326 50 0 DCAAMO Nc1nc(NCCSc2c[nH]nn2)cc([C@H]2CCOC2)[nH+]1 ZINC000426546225 416775597 /nfs/dbraw/zinc/77/55/97/416775597.db2.gz PKMISWHMBRFIRN-QMMMGPOBSA-N 1 1 307.383 0.307 50 0 DCAAMO Nc1nc(NCCSc2cn[nH]n2)cc([C@H]2CCOC2)[nH+]1 ZINC000426546225 416775607 /nfs/dbraw/zinc/77/56/07/416775607.db2.gz PKMISWHMBRFIRN-QMMMGPOBSA-N 1 1 307.383 0.307 50 0 DCAAMO CC[NH+](CC)C[C@H](O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000000068164 276108847 /nfs/dbraw/zinc/10/88/47/276108847.db2.gz RQPGPOAYRPGMJG-LLVKDONJSA-N 1 1 311.407 0.428 50 0 DCAAMO CC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000069897194 278004600 /nfs/dbraw/zinc/00/46/00/278004600.db2.gz XKPHEHATKUPIBT-CQSZACIVSA-N 1 1 311.426 0.160 50 0 DCAAMO Cn1cc(C[N@H+](C[C@@]2(O)CNCCOC2)C2CCCCC2)cn1 ZINC000077489502 294233449 /nfs/dbraw/zinc/23/34/49/294233449.db2.gz KSWLQCMYVNYMBU-KRWDZBQOSA-N 1 1 322.453 0.906 50 0 DCAAMO Cn1cc(C[N@@H+](C[C@@]2(O)CNCCOC2)C2CCCCC2)cn1 ZINC000077489502 294233453 /nfs/dbraw/zinc/23/34/53/294233453.db2.gz KSWLQCMYVNYMBU-KRWDZBQOSA-N 1 1 322.453 0.906 50 0 DCAAMO CC[N@@H+]1C[C@H](NS(=O)(=O)Cc2ccc(F)cc2)[C@@H](OC)C1 ZINC000534645469 334307011 /nfs/dbraw/zinc/30/70/11/334307011.db2.gz VGXIWPZBSVUXEN-KBPBESRZSA-N 1 1 316.398 0.964 50 0 DCAAMO CC[N@H+]1C[C@H](NS(=O)(=O)Cc2ccc(F)cc2)[C@@H](OC)C1 ZINC000534645469 334307013 /nfs/dbraw/zinc/30/70/13/334307013.db2.gz VGXIWPZBSVUXEN-KBPBESRZSA-N 1 1 316.398 0.964 50 0 DCAAMO Cc1[nH+]ccn1CC1(CNC(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC000534645969 334308133 /nfs/dbraw/zinc/30/81/33/334308133.db2.gz KAQWFFIOSLJHPB-LBPRGKRZSA-N 1 1 305.382 0.631 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)C[C@@H]2C)CC1 ZINC000084685854 545702403 /nfs/dbraw/zinc/70/24/03/545702403.db2.gz IOTZDPAQXYFIAN-SJXGUFTOSA-N 1 1 323.437 0.565 50 0 DCAAMO C[NH+](C)[C@@H]1CCN(CC(=O)N2CCC(c3nc[nH]n3)CC2)C1 ZINC000221193552 563723076 /nfs/dbraw/zinc/72/30/76/563723076.db2.gz YGPJIWCKQGMRML-CYBMUJFWSA-N 1 1 306.414 0.147 50 0 DCAAMO COCCCn1cnnc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C1 ZINC000426700117 661695732 /nfs/dbraw/zinc/69/57/32/661695732.db2.gz WXLMPYNSEILEKU-GFCCVEGCSA-N 1 1 310.402 0.160 50 0 DCAAMO COc1cccc(-c2n[nH]c3c2C[N@@H+](C[C@@H](O)CO)CC3)c1 ZINC000012315630 666439937 /nfs/dbraw/zinc/43/99/37/666439937.db2.gz KDERRSRWCUSVKN-GFCCVEGCSA-N 1 1 303.362 0.797 50 0 DCAAMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)c1nc(C)c[nH]1 ZINC000952963587 685597913 /nfs/dbraw/zinc/59/79/13/685597913.db2.gz JCWDBCSCZKJVMX-RYUDHWBXSA-N 1 1 307.398 0.483 50 0 DCAAMO CCCn1ncnc1[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952967250 685599209 /nfs/dbraw/zinc/59/92/09/685599209.db2.gz IWXOYZWLTPVCNG-RYUDHWBXSA-N 1 1 322.413 0.063 50 0 DCAAMO O=C(CCc1cn[nH]c1)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000952974180 685600368 /nfs/dbraw/zinc/60/03/68/685600368.db2.gz LHYFNXDTJWFVEA-OAHLLOKOSA-N 1 1 306.410 0.648 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000952976643 685601203 /nfs/dbraw/zinc/60/12/03/685601203.db2.gz LVLPQHWSYKKEHE-LXTVHRRPSA-N 1 1 305.422 0.902 50 0 DCAAMO CC(=O)c1cccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000020202530 685051971 /nfs/dbraw/zinc/05/19/71/685051971.db2.gz XOGJLKMHXQXBAJ-IRXDYDNUSA-N 1 1 304.390 0.767 50 0 DCAAMO CC(=O)c1cccc(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000020202530 685051980 /nfs/dbraw/zinc/05/19/80/685051980.db2.gz XOGJLKMHXQXBAJ-IRXDYDNUSA-N 1 1 304.390 0.767 50 0 DCAAMO N[C@H]1C[NH2+][C@H](C(=O)N(Cc2cccnc2)Cc2cccnc2)C1 ZINC000067852129 685070526 /nfs/dbraw/zinc/07/05/26/685070526.db2.gz JSJHERLMCLYNQY-CVEARBPZSA-N 1 1 311.389 0.695 50 0 DCAAMO C[N@H+]1C[C@H]2COC[C@@H]1CN(Cc1ccccc1OCCO)C2 ZINC001704340202 1179979161 /nfs/dbraw/zinc/97/91/61/1179979161.db2.gz PVRTZIOKBFYUBU-ZBFHGGJFSA-N 1 1 306.406 0.820 50 0 DCAAMO Cc1cc(=O)n(CC[N@H+](C)[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3C2)c(=O)[nH]1 ZINC001704352671 1179983264 /nfs/dbraw/zinc/98/32/64/1179983264.db2.gz GZMWBORVUNUMJL-KPWCQOOUSA-N 1 1 307.394 0.739 50 0 DCAAMO COCC[N@@H+]1CCOC[C@H]2CCN(C(=O)c3ccncc3)C[C@H]21 ZINC000581782125 760249877 /nfs/dbraw/zinc/24/98/77/760249877.db2.gz XBZGXKHAVBPDSD-HZPDHXFCSA-N 1 1 319.405 0.891 50 0 DCAAMO COCC[N@H+]1CCOC[C@H]2CCN(C(=O)c3ccncc3)C[C@H]21 ZINC000581782125 760249883 /nfs/dbraw/zinc/24/98/83/760249883.db2.gz XBZGXKHAVBPDSD-HZPDHXFCSA-N 1 1 319.405 0.891 50 0 DCAAMO CSc1nc(N)cc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC001529134323 1014502328 /nfs/dbraw/zinc/50/23/28/1014502328.db2.gz VYVZVCAKUSPUGP-JTQLQIEISA-N 1 1 324.454 0.780 50 0 DCAAMO CSc1nc(N)cc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC001529134324 1014503257 /nfs/dbraw/zinc/50/32/57/1014503257.db2.gz VYVZVCAKUSPUGP-SNVBAGLBSA-N 1 1 324.454 0.780 50 0 DCAAMO COCC[N@@H+]1CC[C@@H](CN(C)c2nc(NCC(=O)[O-])cc[nH+]2)C1 ZINC001529168792 1014510707 /nfs/dbraw/zinc/51/07/07/1014510707.db2.gz LVKOHJFPJMTPAU-LBPRGKRZSA-N 1 1 323.397 0.378 50 0 DCAAMO COCC[N@H+]1CC[C@@H](CN(C)c2nc(NCC(=O)[O-])cc[nH+]2)C1 ZINC001529168792 1014510713 /nfs/dbraw/zinc/51/07/13/1014510713.db2.gz LVKOHJFPJMTPAU-LBPRGKRZSA-N 1 1 323.397 0.378 50 0 DCAAMO CCC[N@H+]1CCCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 ZINC001506397437 1017252649 /nfs/dbraw/zinc/25/26/49/1017252649.db2.gz TZHUIUMCKKEZQT-AWEZNQCLSA-N 1 1 305.426 0.970 50 0 DCAAMO Clc1cnn(CCN2CC[NH+](CCn3cncn3)CC2)c1 ZINC001506398079 1017253430 /nfs/dbraw/zinc/25/34/30/1017253430.db2.gz 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192355282 /nfs/dbraw/zinc/35/52/82/192355282.db2.gz PFCDKWYZNVUPIU-INIZCTEOSA-N 1 1 314.345 0.810 50 0 DCAAMO COc1ccc2[nH]nc(C[N@@H+]3CC[C@]4(CC(=O)NC4=O)C3)c2c1 ZINC000082097008 192355284 /nfs/dbraw/zinc/35/52/84/192355284.db2.gz PFCDKWYZNVUPIU-INIZCTEOSA-N 1 1 314.345 0.810 50 0 DCAAMO COc1ccc2[nH]nc(C[N@H+]3CC[C@]4(CC(=O)NC4=O)C3)c2c1 ZINC000082097008 192355285 /nfs/dbraw/zinc/35/52/85/192355285.db2.gz PFCDKWYZNVUPIU-INIZCTEOSA-N 1 1 314.345 0.810 50 0 DCAAMO COCCC1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCC1 ZINC000083881667 192388968 /nfs/dbraw/zinc/38/89/68/192388968.db2.gz PONKMZMAPMYMKW-CQSZACIVSA-N 1 1 312.458 0.738 50 0 DCAAMO NC(=O)c1noc(CN2CCCC[C@H]2CC[NH+]2CCOCC2)n1 ZINC000072153611 191057960 /nfs/dbraw/zinc/05/79/60/191057960.db2.gz RDTGJQYSJYCHNR-LBPRGKRZSA-N 1 1 323.397 0.245 50 0 DCAAMO C[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)n1cccn1 ZINC000072279827 191101681 /nfs/dbraw/zinc/10/16/81/191101681.db2.gz DZRPEZNJGYWHEM-AWEZNQCLSA-N 1 1 316.409 0.912 50 0 DCAAMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)n1cccn1 ZINC000072279827 191101682 /nfs/dbraw/zinc/10/16/82/191101682.db2.gz DZRPEZNJGYWHEM-AWEZNQCLSA-N 1 1 316.409 0.912 50 0 DCAAMO Cc1cccn2c(CNC(=O)[C@@H]3[NH2+]CCc4nc[nH]c43)cnc12 ZINC000072453614 191171322 /nfs/dbraw/zinc/17/13/22/191171322.db2.gz PZENNNMXOUYVDW-CQSZACIVSA-N 1 1 310.361 0.869 50 0 DCAAMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)cn1 ZINC000072478010 191179066 /nfs/dbraw/zinc/17/90/66/191179066.db2.gz MGBSLFWFGBQCNO-LSDHHAIUSA-N 1 1 306.410 0.615 50 0 DCAAMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000072632816 191206375 /nfs/dbraw/zinc/20/63/75/191206375.db2.gz CYWTXWYVHJXHPU-CQSZACIVSA-N 1 1 310.419 0.917 50 0 DCAAMO COC(=O)[C@H](C)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000173983212 198275893 /nfs/dbraw/zinc/27/58/93/198275893.db2.gz KVWHRTXZGVXQDR-ZDUSSCGKSA-N 1 1 319.405 0.977 50 0 DCAAMO C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)Oc1ccccc1 ZINC000073060660 191274488 /nfs/dbraw/zinc/27/44/88/191274488.db2.gz 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ZINC000077471024 415462042 /nfs/dbraw/zinc/46/20/42/415462042.db2.gz QCMOKHOICYRZQP-KRWDZBQOSA-N 1 1 318.421 0.982 50 0 DCAAMO Cn1c(CCNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)n[nH]c1=O ZINC000095354031 415554841 /nfs/dbraw/zinc/55/48/41/415554841.db2.gz NNBDOSGTMCUNGC-CYBMUJFWSA-N 1 1 321.356 0.209 50 0 DCAAMO Cn1c(CCNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)n[nH]c1=O ZINC000095354032 415555289 /nfs/dbraw/zinc/55/52/89/415555289.db2.gz NNBDOSGTMCUNGC-ZDUSSCGKSA-N 1 1 321.356 0.209 50 0 DCAAMO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCN(C)CC1)C(C)(C)C ZINC000095411298 415558395 /nfs/dbraw/zinc/55/83/95/415558395.db2.gz GNSADXZPTLDPDQ-UONOGXRCSA-N 1 1 314.474 0.671 50 0 DCAAMO CC(C)Cn1ncnc1CN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000097048438 415582439 /nfs/dbraw/zinc/58/24/39/415582439.db2.gz BFTBXOWAIUJVKW-UHFFFAOYSA-N 1 1 322.457 0.530 50 0 DCAAMO CC(C)Cn1ncnc1CN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000097048438 415582445 /nfs/dbraw/zinc/58/24/45/415582445.db2.gz BFTBXOWAIUJVKW-UHFFFAOYSA-N 1 1 322.457 0.530 50 0 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ZINC000244724011 416330777 /nfs/dbraw/zinc/33/07/77/416330777.db2.gz MLZRAYNHYXRWQR-LBPRGKRZSA-N 1 1 317.397 0.973 50 0 DCAAMO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585116135 416517709 /nfs/dbraw/zinc/51/77/09/416517709.db2.gz IHWMDYXYPPLHQQ-VIFPVBQESA-N 1 1 318.385 0.495 50 0 DCAAMO CC(C)(C)n1nnnc1C[N@H+]1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585116135 416517713 /nfs/dbraw/zinc/51/77/13/416517713.db2.gz IHWMDYXYPPLHQQ-VIFPVBQESA-N 1 1 318.385 0.495 50 0 DCAAMO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408093319 417141263 /nfs/dbraw/zinc/14/12/63/417141263.db2.gz OBYSCACUJXYZJM-MXAVVETBSA-N 1 1 311.426 0.469 50 0 DCAAMO CC[C@@](C)(CNC(=O)[C@H](NC(C)=O)C(C)C)[NH+]1CCOCC1 ZINC000031930654 287387516 /nfs/dbraw/zinc/38/75/16/287387516.db2.gz LDXKMBRTAGNHLZ-ZBFHGGJFSA-N 1 1 313.442 0.764 50 0 DCAAMO NC(=O)c1cc([C@H]2CCC[N@@H+](CCOC[C@H]3CCCO3)C2)n[nH]1 ZINC000299754304 229398627 /nfs/dbraw/zinc/39/86/27/229398627.db2.gz 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/nfs/dbraw/zinc/93/86/16/545938616.db2.gz JLNRQEFTVVHOID-UHFFFAOYSA-N 1 1 315.805 0.830 50 0 DCAAMO CN(C)C(=O)c1ccc(NCC[N@H+]2CCC[C@H](CO)C2)nc1 ZINC000670462567 547098544 /nfs/dbraw/zinc/09/85/44/547098544.db2.gz RDTMNSASKLWRHW-ZDUSSCGKSA-N 1 1 306.410 0.900 50 0 DCAAMO CC(C)c1nnc(N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)s1 ZINC000670471883 547101520 /nfs/dbraw/zinc/10/15/20/547101520.db2.gz MKDOEVJAYZJJEE-RYUDHWBXSA-N 1 1 311.455 0.458 50 0 DCAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3cc[nH]n3)C2)CC1 ZINC000299800591 659649525 /nfs/dbraw/zinc/64/95/25/659649525.db2.gz UDVWTZDOXSEZJD-CQSZACIVSA-N 1 1 319.453 0.875 50 0 DCAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3cn[nH]n3)C2)CC1 ZINC000426411575 661579360 /nfs/dbraw/zinc/57/93/60/661579360.db2.gz VSZCJTVOAMQNSQ-CYBMUJFWSA-N 1 1 320.441 0.270 50 0 DCAAMO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3c[nH]nn3)C2)CC1 ZINC000426411575 661579362 /nfs/dbraw/zinc/57/93/62/661579362.db2.gz VSZCJTVOAMQNSQ-CYBMUJFWSA-N 1 1 320.441 0.270 50 0 DCAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3c[nH]nn3)C2)CC1 ZINC000426411575 661579364 /nfs/dbraw/zinc/57/93/64/661579364.db2.gz VSZCJTVOAMQNSQ-CYBMUJFWSA-N 1 1 320.441 0.270 50 0 DCAAMO COCCN1C[C@@H](C[N@@H+](C)CCc2c(C)n[nH]c2C)CC1=O ZINC000299774011 662679228 /nfs/dbraw/zinc/67/92/28/662679228.db2.gz DOQQCSDXDCTKIC-CQSZACIVSA-N 1 1 308.426 0.996 50 0 DCAAMO COc1cccc(OCC[N@H+]2CCN3CCOC[C@@]3(CO)C2)c1 ZINC000952991607 685602791 /nfs/dbraw/zinc/60/27/91/685602791.db2.gz BQTICPXHBRKTLY-KRWDZBQOSA-N 1 1 322.405 0.453 50 0 DCAAMO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccn2)C1 ZINC000952971731 685599836 /nfs/dbraw/zinc/59/98/36/685599836.db2.gz XQXBTBUJBUTISY-ZFWWWQNUSA-N 1 1 316.405 0.942 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccn2)C1 ZINC000952971731 685599840 /nfs/dbraw/zinc/59/98/40/685599840.db2.gz XQXBTBUJBUTISY-ZFWWWQNUSA-N 1 1 316.405 0.942 50 0 DCAAMO COc1cc(NC(=O)Cn2cc[nH+]c2C)cc(-n2cnnn2)c1 ZINC000952990108 685603010 /nfs/dbraw/zinc/60/30/10/685603010.db2.gz UPCJIDJMTPJCIZ-UHFFFAOYSA-N 1 1 313.321 0.815 50 0 DCAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000068492164 685072151 /nfs/dbraw/zinc/07/21/51/685072151.db2.gz UCCYJZOARQDCHR-JTQLQIEISA-N 1 1 313.785 0.726 50 0 DCAAMO Cc1ccc(NC(=O)[C@H]2C[N@H+](C3CCOCC3)CCN2)cn1 ZINC000072145901 685073059 /nfs/dbraw/zinc/07/30/59/685073059.db2.gz UDCGKXGNTZKQLU-OAHLLOKOSA-N 1 1 304.394 0.781 50 0 DCAAMO Cc1cc(C[C@@H](C)Nc2nc(N)nc3c2CC[NH2+]CC3)[nH]n1 ZINC000072433735 685075038 /nfs/dbraw/zinc/07/50/38/685075038.db2.gz QQOSILBHEGFLAQ-SECBINFHSA-N 1 1 301.398 0.822 50 0 DCAAMO C[C@@H](CC(=O)NC[C@]1(CO)COCC[NH2+]1)Cc1cccc(F)c1 ZINC000585128958 1158818105 /nfs/dbraw/zinc/81/81/05/1158818105.db2.gz SCVXACFRJOKUJE-DYVFJYSZSA-N 1 1 324.396 0.862 50 0 DCAAMO Cc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@H](C1)NC3=O)OCO2 ZINC001704313879 1179969236 /nfs/dbraw/zinc/96/92/36/1179969236.db2.gz MNPHVDCIKPSCOS-OLZOCXBDSA-N 1 1 304.346 0.671 50 0 DCAAMO Cc1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@H](C1)NC3=O)OCO2 ZINC001704313879 1179969242 /nfs/dbraw/zinc/96/92/42/1179969242.db2.gz MNPHVDCIKPSCOS-OLZOCXBDSA-N 1 1 304.346 0.671 50 0 DCAAMO CCc1c(C)nn(CC(=O)N2C[C@@H]3COC[C@H](C2)[N@@H+](C)C3)c1C ZINC001704330848 1179975387 /nfs/dbraw/zinc/97/53/87/1179975387.db2.gz LCNVDNHDLMBYGV-CABCVRRESA-N 1 1 320.437 0.851 50 0 DCAAMO CCc1nccn1CCCNC(=O)CN1CCC[N@@H+](C)CC1 ZINC000823557366 758254125 /nfs/dbraw/zinc/25/41/25/758254125.db2.gz NXEUOOKWTLPYSF-UHFFFAOYSA-N 1 1 307.442 0.589 50 0 DCAAMO COCC1(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)CCC1 ZINC000824346672 758770211 /nfs/dbraw/zinc/77/02/11/758770211.db2.gz BECDIOHVBDKFMW-CYBMUJFWSA-N 1 1 311.426 0.518 50 0 DCAAMO COCC1(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)CCC1 ZINC000824346672 758770217 /nfs/dbraw/zinc/77/02/17/758770217.db2.gz BECDIOHVBDKFMW-CYBMUJFWSA-N 1 1 311.426 0.518 50 0 DCAAMO CO[C@@H]1COCC[C@@H]1[NH+]1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC000585087953 766275557 /nfs/dbraw/zinc/27/55/57/766275557.db2.gz DCKZIBIBEKKBGO-LSDHHAIUSA-N 1 1 307.394 0.885 50 0 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185407242 /nfs/dbraw/zinc/40/72/42/185407242.db2.gz UQWKCZOISPKUAT-UHFFFAOYSA-N 1 1 314.748 0.893 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000069895720 190835396 /nfs/dbraw/zinc/83/53/96/190835396.db2.gz YSKQGLWSVTYEHJ-AWEZNQCLSA-N 1 1 321.425 0.584 50 0 DCAAMO Cc1cc(F)ccc1CC(=O)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072120895 191040388 /nfs/dbraw/zinc/04/03/88/191040388.db2.gz OFMDLOCSTUKEGJ-HNNXBMFYSA-N 1 1 319.380 0.756 50 0 DCAAMO O=C(CC[N@H+]1CCC[C@H](Cn2cncn2)C1)N1CCOCC1 ZINC000072253245 191087776 /nfs/dbraw/zinc/08/77/76/191087776.db2.gz DTSUSAZTRFIQRU-AWEZNQCLSA-N 1 1 307.398 0.239 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 ZINC000072269898 191093085 /nfs/dbraw/zinc/09/30/85/191093085.db2.gz JZIIBWUZDBBJDW-GFCCVEGCSA-N 1 1 307.398 0.071 50 0 DCAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072410143 191154398 /nfs/dbraw/zinc/15/43/98/191154398.db2.gz XJUOEHKOFRDDOK-CQSZACIVSA-N 1 1 302.382 0.638 50 0 DCAAMO Cc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)[nH]1 ZINC000072421940 191158453 /nfs/dbraw/zinc/15/84/53/191158453.db2.gz VSPMKKCDYLXSER-DZGCQCFKSA-N 1 1 306.410 0.913 50 0 DCAAMO Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c[nH]1 ZINC000072421940 191158454 /nfs/dbraw/zinc/15/84/54/191158454.db2.gz VSPMKKCDYLXSER-DZGCQCFKSA-N 1 1 306.410 0.913 50 0 DCAAMO Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c[nH]1 ZINC000072421940 191158456 /nfs/dbraw/zinc/15/84/56/191158456.db2.gz VSPMKKCDYLXSER-DZGCQCFKSA-N 1 1 306.410 0.913 50 0 DCAAMO C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H]1c1ccccc1 ZINC000253429206 283047419 /nfs/dbraw/zinc/04/74/19/283047419.db2.gz CFAJEATXCGMQMR-PBHICJAKSA-N 1 1 317.389 0.407 50 0 DCAAMO C[C@H](CNC(=O)Cc1ccccc1O)CN1CC[NH+](C)CC1 ZINC000081765038 192321048 /nfs/dbraw/zinc/32/10/48/192321048.db2.gz QDIPFULOCUHLBX-CQSZACIVSA-N 1 1 305.422 0.934 50 0 DCAAMO CN1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1=O ZINC000046143604 283189906 /nfs/dbraw/zinc/18/99/06/283189906.db2.gz NLGIDRKJJAORNY-AWEZNQCLSA-N 1 1 323.437 0.616 50 0 DCAAMO NC(=O)C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CCCC1 ZINC000052844054 283286658 /nfs/dbraw/zinc/28/66/58/283286658.db2.gz SKTHJXBIQROTIS-GJZGRUSLSA-N 1 1 323.437 0.886 50 0 DCAAMO NC(=O)C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CCCC1 ZINC000052844054 283286659 /nfs/dbraw/zinc/28/66/59/283286659.db2.gz SKTHJXBIQROTIS-GJZGRUSLSA-N 1 1 323.437 0.886 50 0 DCAAMO NC(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000092077373 283306363 /nfs/dbraw/zinc/30/63/63/283306363.db2.gz KGHMUKIPFWRZGA-LSDHHAIUSA-N 1 1 316.405 0.778 50 0 DCAAMO O=C([C@H]1COCC[NH2+]1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000237819272 202362181 /nfs/dbraw/zinc/36/21/81/202362181.db2.gz XQRFVIGMBSFKAR-CYBMUJFWSA-N 1 1 311.332 0.602 50 0 DCAAMO COc1cccc(CCNC(=O)CN2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000089939057 192912102 /nfs/dbraw/zinc/91/21/02/192912102.db2.gz JMHKURCGSWQRKI-AWEZNQCLSA-N 1 1 305.422 0.990 50 0 DCAAMO CN(C)CCC[NH2+]C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000006839731 181397131 /nfs/dbraw/zinc/39/71/31/181397131.db2.gz GRPJYHXULRUHIY-AWEZNQCLSA-N 1 1 310.394 0.834 50 0 DCAAMO Nc1nc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)cc[nH+]1 ZINC000091616543 193079777 /nfs/dbraw/zinc/07/97/77/193079777.db2.gz IJWXREDHWFOXQJ-UHFFFAOYSA-N 1 1 319.409 0.650 50 0 DCAAMO CCc1nnc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCOC)C2)s1 ZINC000091616366 193079388 /nfs/dbraw/zinc/07/93/88/193079388.db2.gz BYCTXCWSQJBPGR-VXGBXAGGSA-N 1 1 314.455 0.723 50 0 DCAAMO COCC[N@@H+](C)C[C@@H]1CN(c2nccnc2OC)C[C@@H]1CO ZINC000091809140 193110948 /nfs/dbraw/zinc/11/09/48/193110948.db2.gz QAFLNBCNLIZGHO-CHWSQXEVSA-N 1 1 310.398 0.108 50 0 DCAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@@H]1CO ZINC000091943182 193129704 /nfs/dbraw/zinc/12/97/04/193129704.db2.gz OJFJGLAOLUJEQS-HUUCEWRRSA-N 1 1 323.437 0.328 50 0 DCAAMO Nc1nc(N2C[C@H]3C[N@H+](CC4CCC4)C[C@@]3(C(=O)[O-])C2)cc[nH+]1 ZINC000096153439 193554388 /nfs/dbraw/zinc/55/43/88/193554388.db2.gz 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/nfs/dbraw/zinc/17/92/59/182179259.db2.gz HWZKOLSXNSKPJJ-UHFFFAOYSA-N 1 1 305.378 0.906 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1COc2ccccc2O1 ZINC000020290079 182203144 /nfs/dbraw/zinc/20/31/44/182203144.db2.gz AFKPUDOAONZLNQ-HNNXBMFYSA-N 1 1 306.362 0.665 50 0 DCAAMO C[NH+]1CCN(C(=O)CCNc2nc(Cl)nc3nc[nH]c32)CC1 ZINC000020647864 182241576 /nfs/dbraw/zinc/24/15/76/182241576.db2.gz BOTSHPQZKJIQTM-UHFFFAOYSA-N 1 1 323.788 0.582 50 0 DCAAMO O=C(CN1CC[NH+](CCO)CC1)N1CCSc2ccccc21 ZINC000022944815 182343386 /nfs/dbraw/zinc/34/33/86/182343386.db2.gz KVCKSZCDOCDTPS-UHFFFAOYSA-N 1 1 321.446 0.735 50 0 DCAAMO CC(C)[C@H](CNC(=O)[C@@H](C)n1cncn1)N1CC[NH+](C)CC1 ZINC000042582862 183286718 /nfs/dbraw/zinc/28/67/18/183286718.db2.gz AEAHNJNIXDMMPG-KGLIPLIRSA-N 1 1 308.430 0.227 50 0 DCAAMO CC(C)[C@H](CNC(=O)[C@H](C)n1cncn1)N1CC[NH+](C)CC1 ZINC000042582866 183286958 /nfs/dbraw/zinc/28/69/58/183286958.db2.gz AEAHNJNIXDMMPG-KBPBESRZSA-N 1 1 308.430 0.227 50 0 DCAAMO CC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2nnc(C3CC3)s2)C1 ZINC000065460767 184348967 /nfs/dbraw/zinc/34/89/67/184348967.db2.gz NEBKDTRYWYXCHG-NSHDSACASA-N 1 1 323.422 0.955 50 0 DCAAMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000065491385 184353522 /nfs/dbraw/zinc/35/35/22/184353522.db2.gz PHPDYGXDMHPBBA-NSHDSACASA-N 1 1 312.395 0.550 50 0 DCAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1nc2ccccc2[nH]1 ZINC000426739122 257243551 /nfs/dbraw/zinc/24/35/51/257243551.db2.gz WONVXKXDVLOVGS-GFCCVEGCSA-N 1 1 301.394 0.467 50 0 DCAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)N1Cc2nc(C)n(C)c(=O)c2C1 ZINC000426433693 257250467 /nfs/dbraw/zinc/25/04/67/257250467.db2.gz RZWFTIDBUSLSNT-VIFPVBQESA-N 1 1 301.350 0.697 50 0 DCAAMO CC(C)n1nccc1C(=O)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000426386971 257252428 /nfs/dbraw/zinc/25/24/28/257252428.db2.gz WHSXQSINVHMEOC-GJZGRUSLSA-N 1 1 322.409 0.372 50 0 DCAAMO CC(C)n1nccc1C(=O)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000426386971 257252429 /nfs/dbraw/zinc/25/24/29/257252429.db2.gz 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ZINC000089914263 395716614 /nfs/dbraw/zinc/71/66/14/395716614.db2.gz LNQBNYBNJPXQRZ-IUODEOHRSA-N 1 1 305.382 0.535 50 0 DCAAMO Cc1cc(NC(=O)CC[NH+]2CCN(c3cnccn3)CC2)no1 ZINC000027635408 395695298 /nfs/dbraw/zinc/69/52/98/395695298.db2.gz MCQSZINRSUMYLV-UHFFFAOYSA-N 1 1 316.365 0.924 50 0 DCAAMO CCn1ncc(S(=O)(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)c1C ZINC000091998077 395728511 /nfs/dbraw/zinc/72/85/11/395728511.db2.gz PPHXXQDNCHDICW-QWHCGFSZSA-N 1 1 312.439 0.926 50 0 DCAAMO O[C@H]1CN(CCN2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000096136022 395745751 /nfs/dbraw/zinc/74/57/51/395745751.db2.gz WUXUALHWKFMQCU-SFHVURJKSA-N 1 1 319.449 0.497 50 0 DCAAMO O[C@@H]1CN(Cc2ccccc2)CC[N@H+](CCN2CCOCC2)C1 ZINC000096136022 395745754 /nfs/dbraw/zinc/74/57/54/395745754.db2.gz WUXUALHWKFMQCU-SFHVURJKSA-N 1 1 319.449 0.497 50 0 DCAAMO O[C@@H]1CN(Cc2ccccc2)CC[N@@H+](CCN2CCOCC2)C1 ZINC000096136022 395745755 /nfs/dbraw/zinc/74/57/55/395745755.db2.gz WUXUALHWKFMQCU-SFHVURJKSA-N 1 1 319.449 0.497 50 0 DCAAMO OCCN1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)C[C@@H](O)C1 ZINC000097307416 395757111 /nfs/dbraw/zinc/75/71/11/395757111.db2.gz YILWJDFUOCKEOK-LBPRGKRZSA-N 1 1 322.434 0.609 50 0 DCAAMO OCC[N@@H+]1CCN(Cc2ccc(-c3cc[nH]n3)s2)C[C@@H](O)C1 ZINC000097307416 395757113 /nfs/dbraw/zinc/75/71/13/395757113.db2.gz YILWJDFUOCKEOK-LBPRGKRZSA-N 1 1 322.434 0.609 50 0 DCAAMO OCC[N@H+]1CCN(Cc2ccc(-c3cc[nH]n3)s2)C[C@@H](O)C1 ZINC000097307416 395757115 /nfs/dbraw/zinc/75/71/15/395757115.db2.gz YILWJDFUOCKEOK-LBPRGKRZSA-N 1 1 322.434 0.609 50 0 DCAAMO COc1cccc(C(=O)N2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102637554 395770764 /nfs/dbraw/zinc/77/07/64/395770764.db2.gz LAJZJQWDVKPSEP-FVQHAEBGSA-N 1 1 315.417 0.918 50 0 DCAAMO NC(=O)C1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000048234308 395811670 /nfs/dbraw/zinc/81/16/70/395811670.db2.gz GWAPEMRQAUZNME-CQSZACIVSA-N 1 1 317.389 0.824 50 0 DCAAMO OCCN1CC[N@H+](C2CCN(c3ccccc3)CC2)C[C@H](O)C1 ZINC000225342805 395859059 /nfs/dbraw/zinc/85/90/59/395859059.db2.gz AWWAWWQUXQSSDZ-GOSISDBHSA-N 1 1 319.449 0.626 50 0 DCAAMO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@@H+](C1CCOCC1)C2 ZINC000219280394 395844508 /nfs/dbraw/zinc/84/45/08/395844508.db2.gz BIHHLTRHRJKXFG-OAHLLOKOSA-N 1 1 317.393 0.693 50 0 DCAAMO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@H+](C1CCOCC1)C2 ZINC000219280394 395844511 /nfs/dbraw/zinc/84/45/11/395844511.db2.gz BIHHLTRHRJKXFG-OAHLLOKOSA-N 1 1 317.393 0.693 50 0 DCAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NCCc1nncn1C(C)C ZINC000219323560 395845612 /nfs/dbraw/zinc/84/56/12/395845612.db2.gz LXDKZUZGNLENIH-CYBMUJFWSA-N 1 1 305.386 0.558 50 0 DCAAMO C[N@H+]1CCOC[C@H](CNC(=O)Cn2cnc3ccccc32)C1 ZINC000220754230 395849664 /nfs/dbraw/zinc/84/96/64/395849664.db2.gz SHZPZMBMWMDFHH-CYBMUJFWSA-N 1 1 302.378 0.731 50 0 DCAAMO Cc1ccnn1CC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000221375927 395850404 /nfs/dbraw/zinc/85/04/04/395850404.db2.gz JLKBUOOBGJLXFR-UHFFFAOYSA-N 1 1 319.409 0.004 50 0 DCAAMO 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309.454 0.678 50 0 DCAAMO O=C(CCc1cnccn1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000299765032 416066073 /nfs/dbraw/zinc/06/60/73/416066073.db2.gz ZFYIMPOQJDMQHW-INIZCTEOSA-N 1 1 318.421 0.857 50 0 DCAAMO CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CC[NH2+]CC2 ZINC000299797102 416070564 /nfs/dbraw/zinc/07/05/64/416070564.db2.gz MIWLMSCHLVXHSS-GFCCVEGCSA-N 1 1 308.430 0.189 50 0 DCAAMO Cc1cc(NC(=O)CN2CC[NH+](CC3=CCCOC3)CC2)no1 ZINC000329015531 416145141 /nfs/dbraw/zinc/14/51/41/416145141.db2.gz QEHUKUZRWFGHRL-UHFFFAOYSA-N 1 1 320.393 0.886 50 0 DCAAMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000247130954 416332544 /nfs/dbraw/zinc/33/25/44/416332544.db2.gz KJXCXLCFZDPXLE-KGLIPLIRSA-N 1 1 321.425 0.846 50 0 DCAAMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000247130954 416332545 /nfs/dbraw/zinc/33/25/45/416332545.db2.gz KJXCXLCFZDPXLE-KGLIPLIRSA-N 1 1 321.425 0.846 50 0 DCAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@H]1C ZINC000247401140 416332733 /nfs/dbraw/zinc/33/27/33/416332733.db2.gz YMBKNRDJKVHOFV-OLZOCXBDSA-N 1 1 309.454 0.678 50 0 DCAAMO COc1ccccc1CNC(=O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000239591401 416330147 /nfs/dbraw/zinc/33/01/47/416330147.db2.gz BBGGCOLGGWWAND-UHFFFAOYSA-N 1 1 322.405 0.785 50 0 DCAAMO CCc1nc(NCCC(=O)N2CCN(C(C)=O)CC2)cc(C)[nH+]1 ZINC000242273678 416330345 /nfs/dbraw/zinc/33/03/45/416330345.db2.gz YEYKPRXOAGHSDL-UHFFFAOYSA-N 1 1 319.409 0.840 50 0 DCAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NC(N)=O ZINC000026298668 274275819 /nfs/dbraw/zinc/27/58/19/274275819.db2.gz IHYKXKHYYWUYHL-JTQLQIEISA-N 1 1 302.338 0.455 50 0 DCAAMO CN1c2ccccc2C2(CCN(C[C@]3(O)CC[NH2+]C3)CC2)C1=O ZINC000077486613 277217552 /nfs/dbraw/zinc/21/75/52/277217552.db2.gz AWTSNOSIYRFZRI-KRWDZBQOSA-N 1 1 315.417 0.721 50 0 DCAAMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000229594299 279218178 /nfs/dbraw/zinc/21/81/78/279218178.db2.gz WNFOXZFGTKIXAK-CHWSQXEVSA-N 1 1 324.425 0.684 50 0 DCAAMO CC[C@@H](CNC(=O)Cn1cnnn1)[N@H+]1CCc2ccccc2C1 ZINC000046246599 280141821 /nfs/dbraw/zinc/14/18/21/280141821.db2.gz YPWLPXWDRUQHHO-HNNXBMFYSA-N 1 1 314.393 0.626 50 0 DCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000534582520 334289824 /nfs/dbraw/zinc/28/98/24/334289824.db2.gz IQLJUFDDXKCHPJ-GJZGRUSLSA-N 1 1 300.362 0.931 50 0 DCAAMO C[NH+]1CCN(CC2(CNc3cc(C(N)=O)ccn3)CC2)CC1 ZINC000534652370 334312656 /nfs/dbraw/zinc/31/26/56/334312656.db2.gz SXCWRHKRBJZABC-UHFFFAOYSA-N 1 1 303.410 0.620 50 0 DCAAMO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1F ZINC000023006466 337351509 /nfs/dbraw/zinc/35/15/09/337351509.db2.gz BPTJRFUUJPRSQK-UHFFFAOYSA-N 1 1 323.368 0.911 50 0 DCAAMO O=C(c1cn2cccnc2n1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000084614947 545702787 /nfs/dbraw/zinc/70/27/87/545702787.db2.gz XJCVYLMUNAIRIB-KGLIPLIRSA-N 1 1 315.377 0.401 50 0 DCAAMO O=C(CCCN1CCCC1=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670462587 547099369 /nfs/dbraw/zinc/09/93/69/547099369.db2.gz 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CN1CCC([N@H+]2CCC[C@H](C(=O)NCCc3c[nH]nn3)C2)CC1 ZINC000426411576 661579727 /nfs/dbraw/zinc/57/97/27/661579727.db2.gz VSZCJTVOAMQNSQ-ZDUSSCGKSA-N 1 1 320.441 0.270 50 0 DCAAMO CN1CCC([NH+]2CCC(C(=O)NCCc3c[nH]nn3)CC2)CC1 ZINC000426627691 661666983 /nfs/dbraw/zinc/66/69/83/661666983.db2.gz LUOGZQMWIVUBKQ-UHFFFAOYSA-N 1 1 320.441 0.270 50 0 DCAAMO COCCN(Cc1ccncc1)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000426658150 661688350 /nfs/dbraw/zinc/68/83/50/661688350.db2.gz ATHYDXBXNCSOBV-OAHLLOKOSA-N 1 1 320.437 0.693 50 0 DCAAMO COCC(=O)N1CCC(CNC(=O)[C@]2(C)CC[N@@H+](C)C2)CC1 ZINC000952968926 685598911 /nfs/dbraw/zinc/59/89/11/685598911.db2.gz QPKNITVNNKALKU-MRXNPFEDSA-N 1 1 311.426 0.329 50 0 DCAAMO Cn1ncc2c1nc(NCCC[N@H+]1CCC[C@@H](O)C1)nc2N ZINC000952970327 685599158 /nfs/dbraw/zinc/59/91/58/685599158.db2.gz HZKNXLQPXUAPIZ-SNVBAGLBSA-N 1 1 305.386 0.204 50 0 DCAAMO Cc1cc(C[C@H](C)Nc2nc(N)nc3c2CC[NH2+]CC3)[nH]n1 ZINC000072433736 685075011 /nfs/dbraw/zinc/07/50/11/685075011.db2.gz QQOSILBHEGFLAQ-VIFPVBQESA-N 1 1 301.398 0.822 50 0 DCAAMO CNc1ncc(C(=O)N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)cn1 ZINC001704298732 1179965073 /nfs/dbraw/zinc/96/50/73/1179965073.db2.gz MMGCAYCPFSJPLY-CZUORRHYSA-N 1 1 319.409 0.437 50 0 DCAAMO CNC(=O)c1ccc(C[N@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)o1 ZINC001704300769 1179966538 /nfs/dbraw/zinc/96/65/38/1179966538.db2.gz ZFOKILFIKKJSFD-BXUZGUMPSA-N 1 1 316.361 0.465 50 0 DCAAMO CNC(=O)c1ccc(C[N@@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)o1 ZINC001704300769 1179966544 /nfs/dbraw/zinc/96/65/44/1179966544.db2.gz ZFOKILFIKKJSFD-BXUZGUMPSA-N 1 1 316.361 0.465 50 0 DCAAMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N(C)C3=O)cc1O ZINC001704303538 1179967070 /nfs/dbraw/zinc/96/70/70/1179967070.db2.gz KWIRKGLQWIONFM-OLZOCXBDSA-N 1 1 306.362 0.690 50 0 DCAAMO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N(C)C3=O)cc1O ZINC001704303538 1179967074 /nfs/dbraw/zinc/96/70/74/1179967074.db2.gz KWIRKGLQWIONFM-OLZOCXBDSA-N 1 1 306.362 0.690 50 0 DCAAMO Cc1ccnn1CCC(=O)N1CC[C@@]2(CO)CCC[N@H+](C)[C@@H]2C1 ZINC001704340001 1179978883 /nfs/dbraw/zinc/97/88/83/1179978883.db2.gz BBCIYFZASKGHJQ-NVXWUHKLSA-N 1 1 320.437 0.887 50 0 DCAAMO CC(=O)N1CC[C@@]2(CO)C[N@@H+](Cc3c(C)noc3C)C[C@H]2C1 ZINC000675021589 748028154 /nfs/dbraw/zinc/02/81/54/748028154.db2.gz RFZMTKWXSNRACR-HOCLYGCPSA-N 1 1 307.394 0.954 50 0 DCAAMO CCOC(=O)N1CCC([N@@H+]2C[C@H](O)[C@@H](N3CCCC3)C2)CC1 ZINC000823241537 758233479 /nfs/dbraw/zinc/23/34/79/758233479.db2.gz KHYCILSLXCESJU-GJZGRUSLSA-N 1 1 311.426 0.748 50 0 DCAAMO CCOC(=O)N1CCC([N@H+]2C[C@H](O)[C@@H](N3CCCC3)C2)CC1 ZINC000823241537 758233486 /nfs/dbraw/zinc/23/34/86/758233486.db2.gz KHYCILSLXCESJU-GJZGRUSLSA-N 1 1 311.426 0.748 50 0 DCAAMO CCc1nc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2CO)c[nH]1 ZINC000828710935 759073531 /nfs/dbraw/zinc/07/35/31/759073531.db2.gz PXSIWHPHMBCKCG-NSHDSACASA-N 1 1 316.427 0.097 50 0 DCAAMO CCc1nc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2CO)c[nH]1 ZINC000828710935 759073538 /nfs/dbraw/zinc/07/35/38/759073538.db2.gz PXSIWHPHMBCKCG-NSHDSACASA-N 1 1 316.427 0.097 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC(c3cccnc3)C2)C1 ZINC000952853159 768917391 /nfs/dbraw/zinc/91/73/91/768917391.db2.gz KCYYFWNYEHSTMQ-CYBMUJFWSA-N 1 1 302.378 0.205 50 0 DCAAMO Cc1cc(C[C@@H]2CN(C(=O)C[NH+]3CCCCCC3)C[C@H]2O)n[nH]1 ZINC001529155089 1014509041 /nfs/dbraw/zinc/50/90/41/1014509041.db2.gz NUGAEYGJHWEGJL-GDBMZVCRSA-N 1 1 320.437 0.956 50 0 DCAAMO CC(=O)Nc1nonc1NC(=O)CC[C@H](C)[NH+]1CCOCC1 ZINC001529199240 1014519184 /nfs/dbraw/zinc/51/91/84/1014519184.db2.gz ZSVJXMAHIFGVRF-VIFPVBQESA-N 1 1 311.342 0.467 50 0 DCAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCc1n[nH]c(=O)n1C ZINC000095510167 185376269 /nfs/dbraw/zinc/37/62/69/185376269.db2.gz OYOLPPNLQZCTRB-SNVBAGLBSA-N 1 1 306.370 0.348 50 0 DCAAMO Cc1nnc(Cn2ncc(N3CCC[N@H+](C)CC3)cc2=O)o1 ZINC000095517799 185376833 /nfs/dbraw/zinc/37/68/33/185376833.db2.gz JNJKFEVYARQALM-UHFFFAOYSA-N 1 1 304.354 0.125 50 0 DCAAMO Cc1ncc(C[N@H+]2CCC[C@@H](Cn3cc(CCO)nn3)C2)[nH]1 ZINC000095519083 185377027 /nfs/dbraw/zinc/37/70/27/185377027.db2.gz BRKTUUOCUCOGGH-CYBMUJFWSA-N 1 1 304.398 0.757 50 0 DCAAMO Cc1nc(C[N@@H+]2CCC[C@@H](Cn3cc(CCO)nn3)C2)c[nH]1 ZINC000095519083 185377028 /nfs/dbraw/zinc/37/70/28/185377028.db2.gz BRKTUUOCUCOGGH-CYBMUJFWSA-N 1 1 304.398 0.757 50 0 DCAAMO Cc1nc(C[N@H+]2CCC[C@@H](Cn3cc(CCO)nn3)C2)c[nH]1 ZINC000095519083 185377029 /nfs/dbraw/zinc/37/70/29/185377029.db2.gz BRKTUUOCUCOGGH-CYBMUJFWSA-N 1 1 304.398 0.757 50 0 DCAAMO C[C@@H]1CN(CCNS(=O)(=O)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000095454178 185369725 /nfs/dbraw/zinc/36/97/25/185369725.db2.gz YNGKKOOEXYJVJC-KGLIPLIRSA-N 1 1 311.451 0.989 50 0 DCAAMO CCOc1ccnc(N2CCC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)n1 ZINC000097019030 185398015 /nfs/dbraw/zinc/39/80/15/185398015.db2.gz BONCJZJQPFTJAD-CYBMUJFWSA-N 1 1 319.409 0.618 50 0 DCAAMO CCOc1ccnc(N2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)n1 ZINC000097019030 185398016 /nfs/dbraw/zinc/39/80/16/185398016.db2.gz 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191154985 /nfs/dbraw/zinc/15/49/85/191154985.db2.gz KUUBSNLTFSELDQ-ZDUSSCGKSA-N 1 1 307.442 0.971 50 0 DCAAMO OC[C@@]1(O)CCC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000072419168 191156328 /nfs/dbraw/zinc/15/63/28/191156328.db2.gz IHZBOVUWWLVBPJ-MRXNPFEDSA-N 1 1 300.362 0.858 50 0 DCAAMO O=C(NCCN1CCc2ccccc21)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072430230 191163140 /nfs/dbraw/zinc/16/31/40/191163140.db2.gz XQVZPHCJJSDTRB-INIZCTEOSA-N 1 1 311.389 0.775 50 0 DCAAMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1nn(C)c2c1CCCC2 ZINC000331957796 234318201 /nfs/dbraw/zinc/31/82/01/234318201.db2.gz ICYIUIGGVMXGCN-LBPRGKRZSA-N 1 1 306.410 0.438 50 0 DCAAMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1nn(C)c2c1CCCC2 ZINC000331957796 234318205 /nfs/dbraw/zinc/31/82/05/234318205.db2.gz ICYIUIGGVMXGCN-LBPRGKRZSA-N 1 1 306.410 0.438 50 0 DCAAMO C[N@H+]1CCCN(C[C@@H]2CN(c3nncs3)C[C@@H]2CO)CC1 ZINC000091616488 193079566 /nfs/dbraw/zinc/07/95/66/193079566.db2.gz CBULRKFVLJOHPA-CHWSQXEVSA-N 1 1 311.455 0.220 50 0 DCAAMO 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/nfs/dbraw/zinc/81/15/94/395811594.db2.gz WGXJWHRYPNAPBB-OAHLLOKOSA-N 1 1 321.425 0.772 50 0 DCAAMO C[C@H](NC(=O)CN1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000048615842 395820427 /nfs/dbraw/zinc/82/04/27/395820427.db2.gz HWINIXBUJCNYFK-ZDUSSCGKSA-N 1 1 309.385 0.613 50 0 DCAAMO C[C@@H](NC(=O)CN1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000048615844 395820468 /nfs/dbraw/zinc/82/04/68/395820468.db2.gz HWINIXBUJCNYFK-CYBMUJFWSA-N 1 1 309.385 0.613 50 0 DCAAMO C[C@H]1C[N@@H+](C)CCCN1C(=O)CSc1nnc(N)s1 ZINC000219039048 395843867 /nfs/dbraw/zinc/84/38/67/395843867.db2.gz RZLTVMABQZYJDK-QMMMGPOBSA-N 1 1 301.441 0.765 50 0 DCAAMO Cc1ccnn1CCC(=O)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000222414520 395852592 /nfs/dbraw/zinc/85/25/92/395852592.db2.gz QAACWRMLCLNSQD-INIZCTEOSA-N 1 1 320.437 0.887 50 0 DCAAMO O=C(Nc1cccnc1)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000110619051 395801217 /nfs/dbraw/zinc/80/12/17/395801217.db2.gz SEBLEXMEDDEHGQ-AEGPPILISA-N 1 1 314.389 0.963 50 0 DCAAMO C[C@@H]1C[N@H+](Cc2ccccc2NCC(=O)NC(N)=O)C[C@H](C)O1 ZINC000055870349 395923061 /nfs/dbraw/zinc/92/30/61/395923061.db2.gz TWKCIENIRPEZQC-TXEJJXNPSA-N 1 1 320.393 0.903 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000229829039 395876663 /nfs/dbraw/zinc/87/66/63/395876663.db2.gz VWIVQZBCUUJMHO-WFASDCNBSA-N 1 1 321.425 0.753 50 0 DCAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000230080814 395878004 /nfs/dbraw/zinc/87/80/04/395878004.db2.gz ZQRCBRVDZDVERT-OLZOCXBDSA-N 1 1 305.378 0.791 50 0 DCAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000230080814 395878008 /nfs/dbraw/zinc/87/80/08/395878008.db2.gz ZQRCBRVDZDVERT-OLZOCXBDSA-N 1 1 305.378 0.791 50 0 DCAAMO Cc1ccc(OCC[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000056677880 395932483 /nfs/dbraw/zinc/93/24/83/395932483.db2.gz KJEASNYCOOMLMC-UHFFFAOYSA-N 1 1 317.389 0.903 50 0 DCAAMO CC[N@@H+]1CCO[C@@H](CN2CCC[C@@H]2C(=O)NCC(F)(F)F)C1 ZINC000058342979 395953195 /nfs/dbraw/zinc/95/31/95/395953195.db2.gz QCCPKTMJYDMQIR-VXGBXAGGSA-N 1 1 323.359 0.850 50 0 DCAAMO CC[N@H+]1CCO[C@@H](CN2CCC[C@@H]2C(=O)NCC(F)(F)F)C1 ZINC000058342979 395953198 /nfs/dbraw/zinc/95/31/98/395953198.db2.gz QCCPKTMJYDMQIR-VXGBXAGGSA-N 1 1 323.359 0.850 50 0 DCAAMO C[N@H+]1CCCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000065440479 395993517 /nfs/dbraw/zinc/99/35/17/395993517.db2.gz IBNUTMCYOMSABI-AWEZNQCLSA-N 1 1 318.425 0.793 50 0 DCAAMO COC[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1C(=O)N(C)C ZINC000253412425 396026989 /nfs/dbraw/zinc/02/69/89/396026989.db2.gz QYZJDUHQPPUYJH-GXTWGEPZSA-N 1 1 307.394 0.873 50 0 DCAAMO COCC[C@H]1COCCN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000253429375 396028547 /nfs/dbraw/zinc/02/85/47/396028547.db2.gz SBGCIYAKLDSGSM-QWHCGFSZSA-N 1 1 302.440 0.688 50 0 DCAAMO CC(C)C[N@H+]1CCCN(C(=O)CSc2nc(N)n[nH]2)CC1 ZINC000067642985 396029883 /nfs/dbraw/zinc/02/98/83/396029883.db2.gz CIBQDPFEITWBAP-UHFFFAOYSA-N 1 1 312.443 0.669 50 0 DCAAMO C[C@H](NC(=O)Cc1ccc(F)cc1)C1=CCC[N@H+](CC(N)=O)C1 ZINC000067673344 396031119 /nfs/dbraw/zinc/03/11/19/396031119.db2.gz KFCUAVLUTKZLKU-LBPRGKRZSA-N 1 1 319.380 0.990 50 0 DCAAMO C[C@H](NC(=O)Cc1ccc(F)cc1)C1=CCC[N@@H+](CC(N)=O)C1 ZINC000067673344 396031122 /nfs/dbraw/zinc/03/11/22/396031122.db2.gz KFCUAVLUTKZLKU-LBPRGKRZSA-N 1 1 319.380 0.990 50 0 DCAAMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000257181893 396034284 /nfs/dbraw/zinc/03/42/84/396034284.db2.gz GAKYEPXPUIMBGR-GOEBONIOSA-N 1 1 314.389 0.643 50 0 DCAAMO COc1ccccc1CNC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000069844285 396091949 /nfs/dbraw/zinc/09/19/49/396091949.db2.gz OESQHUFATLYIBF-TZMCWYRMSA-N 1 1 319.405 0.897 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069930059 396095512 /nfs/dbraw/zinc/09/55/12/396095512.db2.gz LCBWPUKLROQWCH-CYBMUJFWSA-N 1 1 300.428 0.629 50 0 DCAAMO CC[N@@H+](CC(=O)NC1CCN(c2nccn2C)CC1)C1CC1 ZINC000170617789 396096224 /nfs/dbraw/zinc/09/62/24/396096224.db2.gz 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ZINC000071851710 396118462 /nfs/dbraw/zinc/11/84/62/396118462.db2.gz FMPAMVWDUNEVRE-UHFFFAOYSA-N 1 1 315.377 0.457 50 0 DCAAMO c1cnnc(N2CCC[C@@H]2C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000071859898 396119844 /nfs/dbraw/zinc/11/98/44/396119844.db2.gz MDOBTLIBQNQLLM-GFCCVEGCSA-N 1 1 300.370 0.557 50 0 DCAAMO O=C(C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1)NC1CC1 ZINC000071871636 396120585 /nfs/dbraw/zinc/12/05/85/396120585.db2.gz CFZMXTNBLAKRQZ-UHFFFAOYSA-N 1 1 319.409 0.733 50 0 DCAAMO O=C(C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1)NC1CC1 ZINC000071871636 396120587 /nfs/dbraw/zinc/12/05/87/396120587.db2.gz CFZMXTNBLAKRQZ-UHFFFAOYSA-N 1 1 319.409 0.733 50 0 DCAAMO COCC[N@@H+](C)CCNC(=O)Cn1cnc2ccccc2c1=O ZINC000069594554 396084491 /nfs/dbraw/zinc/08/44/91/396084491.db2.gz NKDZEGDQZYKXLT-UHFFFAOYSA-N 1 1 318.377 0.091 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)CC1 ZINC000076055634 396194722 /nfs/dbraw/zinc/19/47/22/396194722.db2.gz BFMDOGMBRFWSQA-ZBFHGGJFSA-N 1 1 322.453 0.093 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3cnc(C)cn3)C[C@@H]2C)CC1 ZINC000076055842 396195076 /nfs/dbraw/zinc/19/50/76/396195076.db2.gz SBGNEVQJFNBQJB-SUMWQHHRSA-N 1 1 317.437 0.769 50 0 DCAAMO CC(C)NC(=O)CC[N@@H+]1CCO[C@H](CNc2cccnn2)C1 ZINC000078893391 396257358 /nfs/dbraw/zinc/25/73/58/396257358.db2.gz MLPCFAKANLZLIF-CYBMUJFWSA-N 1 1 307.398 0.504 50 0 DCAAMO CC(C)NC(=O)CC[N@H+]1CCO[C@H](CNc2cccnn2)C1 ZINC000078893391 396257360 /nfs/dbraw/zinc/25/73/60/396257360.db2.gz MLPCFAKANLZLIF-CYBMUJFWSA-N 1 1 307.398 0.504 50 0 DCAAMO Cc1ccc[nH+]c1N1CCN(C(=O)CCn2cnnn2)CC1 ZINC000082092073 396310529 /nfs/dbraw/zinc/31/05/29/396310529.db2.gz YZZAJXHQTTYVPP-UHFFFAOYSA-N 1 1 301.354 0.115 50 0 DCAAMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000269555388 396424291 /nfs/dbraw/zinc/42/42/91/396424291.db2.gz PGHUQIGPWGTRDU-DLBZAZTESA-N 1 1 318.417 0.948 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)N[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000584902379 396637402 /nfs/dbraw/zinc/63/74/02/396637402.db2.gz IZMZYVAEAOLJCM-OAHLLOKOSA-N 1 1 316.405 0.824 50 0 DCAAMO C[C@@H](C(=O)N(C)Cc1ccc2c(c1)C[N@H+](C)C2)n1cnnn1 ZINC000584904109 396637738 /nfs/dbraw/zinc/63/77/38/396637738.db2.gz FHWFYPGGAVFDRX-NSHDSACASA-N 1 1 300.366 0.838 50 0 DCAAMO CCOC(=O)c1ccc(NC2CC[NH+](CC(=O)NC)CC2)nc1 ZINC000025579236 415161501 /nfs/dbraw/zinc/16/15/01/415161501.db2.gz SYULOBBYIOYGRC-UHFFFAOYSA-N 1 1 320.393 0.881 50 0 DCAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000040490107 415197378 /nfs/dbraw/zinc/19/73/78/415197378.db2.gz NIUZIWCOHFOZQB-IAQYHMDHSA-N 1 1 317.389 0.996 50 0 DCAAMO CC(C)[C@@H](CNC(=O)CN1CCSC1=O)[NH+]1CCOCC1 ZINC000041934463 415201751 /nfs/dbraw/zinc/20/17/51/415201751.db2.gz YHQWPCXZYROPCP-GFCCVEGCSA-N 1 1 315.439 0.628 50 0 DCAAMO C[C@H](CN1CCOCC1)NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000044949308 415239754 /nfs/dbraw/zinc/23/97/54/415239754.db2.gz CBLDOLYUEWSAHL-ZIAGYGMSSA-N 1 1 324.425 0.902 50 0 DCAAMO CC(C)[C@@H](CNC(=O)NCCc1cnn(C)c1)[NH+]1CCOCC1 ZINC000044967645 415240928 /nfs/dbraw/zinc/24/09/28/415240928.db2.gz NVBRQXDHUFQLNJ-OAHLLOKOSA-N 1 1 323.441 0.619 50 0 DCAAMO O=C(NCCNc1ncccn1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047058367 415266500 /nfs/dbraw/zinc/26/65/00/415266500.db2.gz QIFFUTJUNREIHS-CHWSQXEVSA-N 1 1 304.398 0.815 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2cc(C)on2)CC1 ZINC000048326380 415289782 /nfs/dbraw/zinc/28/97/82/415289782.db2.gz JNYBTIGRACIOEA-UHFFFAOYSA-N 1 1 323.397 0.335 50 0 DCAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCn3cnnc3)CC2)C[C@H](C)O1 ZINC000072408775 415416002 /nfs/dbraw/zinc/41/60/02/415416002.db2.gz XVSQDDAEMONNRG-OKILXGFUSA-N 1 1 321.425 0.768 50 0 DCAAMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066878239 415371624 /nfs/dbraw/zinc/37/16/24/415371624.db2.gz WCYCKGLGCOBVRG-UHFFFAOYSA-N 1 1 324.425 0.603 50 0 DCAAMO COc1ccnc(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)n1 ZINC000075123755 415435909 /nfs/dbraw/zinc/43/59/09/415435909.db2.gz QHXWCWCNDSIEFG-GFCCVEGCSA-N 1 1 305.382 0.228 50 0 DCAAMO Cc1cccc([C@@H](C(=O)NCCN2CCNC2=O)[NH+](C)C)c1 ZINC000095385065 415556938 /nfs/dbraw/zinc/55/69/38/415556938.db2.gz DGBUESLFPBKUKN-AWEZNQCLSA-N 1 1 304.394 0.739 50 0 DCAAMO [NH3+]CCc1ccc(CN2CCN(C(=O)C3CC3)C[C@@H](O)C2)cc1 ZINC000097076476 415581327 /nfs/dbraw/zinc/58/13/27/415581327.db2.gz RIAWCKLRPNEGQV-KRWDZBQOSA-N 1 1 317.433 0.603 50 0 DCAAMO CC[C@@H]1CN(Cc2nc(CCOC)no2)CC[N@H+]1C[C@H](C)O ZINC000106906972 415652277 /nfs/dbraw/zinc/65/22/77/415652277.db2.gz WGAMWMKEWXIOPE-QWHCGFSZSA-N 1 1 312.414 0.536 50 0 DCAAMO NC(=O)CC[N@H+]1CCN(Cc2ccccc2F)[C@H](CCO)C1 ZINC000106993627 415657828 /nfs/dbraw/zinc/65/78/28/415657828.db2.gz XRHJDSWGJIYJPR-CQSZACIVSA-N 1 1 309.385 0.570 50 0 DCAAMO O=C1[C@@H]([N@H+]2CCCC[C@@H]2CN2CCOCC2)CCN1C1CC1 ZINC000107509791 415667060 /nfs/dbraw/zinc/66/70/60/415667060.db2.gz DWJQRYZIJWZERD-CVEARBPZSA-N 1 1 307.438 0.936 50 0 DCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000107581184 415669748 /nfs/dbraw/zinc/66/97/48/415669748.db2.gz 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ZINC000299787099 416069695 /nfs/dbraw/zinc/06/96/95/416069695.db2.gz VGLRUQQPULNLPL-LLVKDONJSA-N 1 1 308.382 0.874 50 0 DCAAMO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CCN1CC[NH+](C)CC1 ZINC000299796816 416071993 /nfs/dbraw/zinc/07/19/93/416071993.db2.gz OAGFFRQNQDCPIP-GFCCVEGCSA-N 1 1 307.442 0.852 50 0 DCAAMO C[C@H](CCc1ccccc1)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000170591824 416026957 /nfs/dbraw/zinc/02/69/57/416026957.db2.gz NFBJQXGKRMJKOT-GDBMZVCRSA-N 1 1 315.417 0.898 50 0 DCAAMO C[C@@H](C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccc(F)cc1 ZINC000195573049 416326848 /nfs/dbraw/zinc/32/68/48/416326848.db2.gz HOYVCXUCIRCGPE-SMDDNHRTSA-N 1 1 305.353 0.572 50 0 DCAAMO C[C@@H](C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccc(F)cc1 ZINC000195573049 416326849 /nfs/dbraw/zinc/32/68/49/416326849.db2.gz HOYVCXUCIRCGPE-SMDDNHRTSA-N 1 1 305.353 0.572 50 0 DCAAMO Cn1cnnc1Sc1ccc(C[N@H+](C)[C@H]2COC[C@@H]2O)o1 ZINC000215639160 416327317 /nfs/dbraw/zinc/32/73/17/416327317.db2.gz QLFCXQBGNYRCPS-QWRGUYRKSA-N 1 1 310.379 0.751 50 0 DCAAMO Cn1cnnc1Sc1ccc(C[N@@H+](C)[C@H]2COC[C@@H]2O)o1 ZINC000215639160 416327318 /nfs/dbraw/zinc/32/73/18/416327318.db2.gz QLFCXQBGNYRCPS-QWRGUYRKSA-N 1 1 310.379 0.751 50 0 DCAAMO CN1CCN(Cc2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000237213380 416328357 /nfs/dbraw/zinc/32/83/57/416328357.db2.gz FFGSXIVDKOLQGZ-KRWDZBQOSA-N 1 1 316.449 0.997 50 0 DCAAMO CC[N@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](C)C1 ZINC000240321589 416330189 /nfs/dbraw/zinc/33/01/89/416330189.db2.gz FAOHNNQXIIHULG-GFCCVEGCSA-N 1 1 315.377 0.344 50 0 DCAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCN2C(=O)OC[C@H]2C1 ZINC000244764012 416330733 /nfs/dbraw/zinc/33/07/33/416330733.db2.gz OZRVYKIJDGELBZ-OAHLLOKOSA-N 1 1 315.373 0.708 50 0 DCAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCN2C(=O)OC[C@H]2C1 ZINC000244764012 416330734 /nfs/dbraw/zinc/33/07/34/416330734.db2.gz OZRVYKIJDGELBZ-OAHLLOKOSA-N 1 1 315.373 0.708 50 0 DCAAMO COCCn1cnnc1CCNC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000244701029 416330866 /nfs/dbraw/zinc/33/08/66/416330866.db2.gz JYSHKEYRHSFQGT-CYBMUJFWSA-N 1 1 309.414 0.315 50 0 DCAAMO Nc1nc(NCCNc2cccnc2)cc([C@H]2CCOC2)[nH+]1 ZINC000426571598 416773312 /nfs/dbraw/zinc/77/33/12/416773312.db2.gz KYASYFFAMLJEAV-NSHDSACASA-N 1 1 300.366 0.904 50 0 DCAAMO OCCNc1nc(N2CCSCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426711310 416780412 /nfs/dbraw/zinc/78/04/12/416780412.db2.gz LKMGVFDEWWTNCC-LLVKDONJSA-N 1 1 310.423 0.938 50 0 DCAAMO OC[C@H]1CCC2(CCOCC2)C[N@H+]1C[C@H](O)Cn1cccn1 ZINC000528635473 417369821 /nfs/dbraw/zinc/36/98/21/417369821.db2.gz BLMSUEHWXFNKMO-CABCVRRESA-N 1 1 309.410 0.498 50 0 DCAAMO COC1CCN(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000657011221 418402718 /nfs/dbraw/zinc/40/27/18/418402718.db2.gz LIVRCDWZNJDWGJ-ZDUSSCGKSA-N 1 1 319.471 0.664 50 0 DCAAMO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CNCCO1 ZINC000299739594 229371775 /nfs/dbraw/zinc/37/17/75/229371775.db2.gz QMQATYSCEHSYTK-BMFZPTHFSA-N 1 1 318.421 0.397 50 0 DCAAMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CNCCO1 ZINC000299739594 229371781 /nfs/dbraw/zinc/37/17/81/229371781.db2.gz QMQATYSCEHSYTK-BMFZPTHFSA-N 1 1 318.421 0.397 50 0 DCAAMO C[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000065440476 277047971 /nfs/dbraw/zinc/04/79/71/277047971.db2.gz IBNUTMCYOMSABI-CQSZACIVSA-N 1 1 318.425 0.793 50 0 DCAAMO C[C@H](CNS(=O)(=O)N1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000107572907 278208653 /nfs/dbraw/zinc/20/86/53/278208653.db2.gz YHEABSAPVWVBMY-QWHCGFSZSA-N 1 1 305.444 0.416 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000106746202 279314453 /nfs/dbraw/zinc/31/44/53/279314453.db2.gz SBNHFUFYZHDHQL-JHJVBQTASA-N 1 1 305.444 0.414 50 0 DCAAMO C[NH+]1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1 ZINC000020026914 290011575 /nfs/dbraw/zinc/01/15/75/290011575.db2.gz FGZPIMOXRVQQOJ-UHFFFAOYSA-N 1 1 317.455 0.355 50 0 DCAAMO Cc1ccncc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072126358 302287726 /nfs/dbraw/zinc/28/77/26/302287726.db2.gz NKHPRNPJCAPTEI-CQSZACIVSA-N 1 1 302.378 0.426 50 0 DCAAMO CN(Cc1ccccc1)S(=O)(=O)N1C[C@@H]2[NH2+]CCO[C@H]2C1 ZINC000534589490 334293873 /nfs/dbraw/zinc/29/38/73/334293873.db2.gz CJIDNTXUNVFABY-KBPBESRZSA-N 1 1 311.407 0.036 50 0 DCAAMO CN(CC(=O)[O-])c1ncc(C[N@@H+]2CCc3nc[nH]c3C2)cn1 ZINC000534646441 334306340 /nfs/dbraw/zinc/30/63/40/334306340.db2.gz HUNCKNSJFAMRER-UHFFFAOYSA-N 1 1 302.338 0.279 50 0 DCAAMO CN(CC(=O)[O-])c1ncc(C[N@H+]2CCc3nc[nH]c3C2)cn1 ZINC000534646441 334306341 /nfs/dbraw/zinc/30/63/41/334306341.db2.gz HUNCKNSJFAMRER-UHFFFAOYSA-N 1 1 302.338 0.279 50 0 DCAAMO COC[C@@H](NC(=O)CC[NH+]1CCN(C)CC1)c1ccccn1 ZINC000534639336 334310471 /nfs/dbraw/zinc/31/04/71/334310471.db2.gz BUGCPRVJXQGGAR-OAHLLOKOSA-N 1 1 306.410 0.523 50 0 DCAAMO Cn1nc(C(N)=O)c2c1CC[N@H+](CCn1cnc3ccccc31)C2 ZINC000244673987 518195632 /nfs/dbraw/zinc/19/56/32/518195632.db2.gz HZHVLBFZDRXHNO-UHFFFAOYSA-N 1 1 324.388 0.927 50 0 DCAAMO Cn1nc(C(N)=O)c2c1CC[N@@H+](CCn1cnc3ccccc31)C2 ZINC000244673987 518195633 /nfs/dbraw/zinc/19/56/33/518195633.db2.gz HZHVLBFZDRXHNO-UHFFFAOYSA-N 1 1 324.388 0.927 50 0 DCAAMO Cc1noc(C)c1CN1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000165461854 534355122 /nfs/dbraw/zinc/35/51/22/534355122.db2.gz RVLHYVVFAKJGEF-CYBMUJFWSA-N 1 1 310.423 0.598 50 0 DCAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1CO ZINC000091255672 522880784 /nfs/dbraw/zinc/88/07/84/522880784.db2.gz KJHCSEGHONXAIG-ZIAGYGMSSA-N 1 1 312.435 0.282 50 0 DCAAMO CC(=O)N[C@H](C(=O)NC[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000245225362 526869475 /nfs/dbraw/zinc/86/94/75/526869475.db2.gz TUYOCKFILANZFW-ABHRYQDASA-N 1 1 313.442 0.761 50 0 DCAAMO CN(Cc1nnc(C2CC2)o1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000083867881 545699026 /nfs/dbraw/zinc/69/90/26/545699026.db2.gz LRSWAKKTTCPJPD-ZDUSSCGKSA-N 1 1 317.397 0.745 50 0 DCAAMO CC[C@H]1CN(C(=O)CCCn2cncn2)C[C@H]1[NH+]1CCOCC1 ZINC000084735810 545704288 /nfs/dbraw/zinc/70/42/88/545704288.db2.gz MRAXWXQXBXPZCA-LSDHHAIUSA-N 1 1 321.425 0.628 50 0 DCAAMO Cc1[nH+]cn(CCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1C ZINC000222640775 545941979 /nfs/dbraw/zinc/94/19/79/545941979.db2.gz UDPBUXLGRPHDDV-LBPRGKRZSA-N 1 1 314.411 0.040 50 0 DCAAMO CCn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cn1 ZINC000670459489 547097766 /nfs/dbraw/zinc/09/77/66/547097766.db2.gz LEMXEMGASGQFNN-GFCCVEGCSA-N 1 1 316.427 0.028 50 0 DCAAMO CCn1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2CO)cn1 ZINC000670459489 547097770 /nfs/dbraw/zinc/09/77/70/547097770.db2.gz LEMXEMGASGQFNN-GFCCVEGCSA-N 1 1 316.427 0.028 50 0 DCAAMO COc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)c(OC)n1 ZINC000670462338 547099504 /nfs/dbraw/zinc/09/95/04/547099504.db2.gz SCHYZJWGZZXBIT-LBPRGKRZSA-N 1 1 323.393 0.675 50 0 DCAAMO Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000685940321 548746059 /nfs/dbraw/zinc/74/60/59/548746059.db2.gz DPZLZASZQPEREO-KGLIPLIRSA-N 1 1 322.409 0.835 50 0 DCAAMO Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000685940321 548746063 /nfs/dbraw/zinc/74/60/63/548746063.db2.gz DPZLZASZQPEREO-KGLIPLIRSA-N 1 1 322.409 0.835 50 0 DCAAMO CN(CCc1ccccn1)C(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000426386329 661562036 /nfs/dbraw/zinc/56/20/36/661562036.db2.gz NBFONHGCYVTYEP-HNNXBMFYSA-N 1 1 320.437 0.970 50 0 DCAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccccn1 ZINC000012439756 666641368 /nfs/dbraw/zinc/64/13/68/666641368.db2.gz IFMLJJLRVIZADD-AWEZNQCLSA-N 1 1 304.394 0.639 50 0 DCAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccccn1 ZINC000012439756 666641370 /nfs/dbraw/zinc/64/13/70/666641370.db2.gz IFMLJJLRVIZADD-AWEZNQCLSA-N 1 1 304.394 0.639 50 0 DCAAMO C[N@@H+]1C[C@@]2(C)CN(C(=O)CCS(C)(=O)=O)C[C@@](C)(C1)C2 ZINC000952984210 685601850 /nfs/dbraw/zinc/60/18/50/685601850.db2.gz XVCWTDQJVIBRTH-OKILXGFUSA-N 1 1 302.440 0.611 50 0 DCAAMO C[N@H+]1C[C@@]2(C)CN(C(=O)CCS(C)(=O)=O)C[C@@](C)(C1)C2 ZINC000952984210 685601852 /nfs/dbraw/zinc/60/18/52/685601852.db2.gz XVCWTDQJVIBRTH-OKILXGFUSA-N 1 1 302.440 0.611 50 0 DCAAMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cc(Cl)ccn3)CC2)C1 ZINC000952992789 685603497 /nfs/dbraw/zinc/60/34/97/685603497.db2.gz BOCSWDWKBYAMCQ-CYBMUJFWSA-N 1 1 324.812 0.714 50 0 DCAAMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cc(Cl)ccn3)CC2)C1 ZINC000952992789 685603502 /nfs/dbraw/zinc/60/35/02/685603502.db2.gz BOCSWDWKBYAMCQ-CYBMUJFWSA-N 1 1 324.812 0.714 50 0 DCAAMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cc(Cl)ccn3)CC2)C1 ZINC000952992790 685603683 /nfs/dbraw/zinc/60/36/83/685603683.db2.gz BOCSWDWKBYAMCQ-ZDUSSCGKSA-N 1 1 324.812 0.714 50 0 DCAAMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3cc(Cl)ccn3)CC2)C1 ZINC000952992790 685603688 /nfs/dbraw/zinc/60/36/88/685603688.db2.gz BOCSWDWKBYAMCQ-ZDUSSCGKSA-N 1 1 324.812 0.714 50 0 DCAAMO O=C(C[NH+]1CCC([C@H](O)CO)CC1)NCCc1ccccc1 ZINC001772708216 1157845801 /nfs/dbraw/zinc/84/58/01/1157845801.db2.gz GEOQUMZTMRRVRJ-MRXNPFEDSA-N 1 1 306.406 0.411 50 0 DCAAMO Cn1nc(C(=O)N2C[C@H]3COC[C@@H]2C[N@@H+](C)C3)c2ccccc21 ZINC001704310036 1179969633 /nfs/dbraw/zinc/96/96/33/1179969633.db2.gz NYPNRAJCNVUHRH-STQMWFEESA-N 1 1 314.389 0.976 50 0 DCAAMO C[N@H+]1C[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)c(F)c1)C2 ZINC001704332096 1179976389 /nfs/dbraw/zinc/97/63/89/1179976389.db2.gz ORFQJIGZJBVYLL-OLZOCXBDSA-N 1 1 308.353 0.863 50 0 DCAAMO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000823774856 758266318 /nfs/dbraw/zinc/26/63/18/758266318.db2.gz WRHCKMIBLZRCPV-JTQLQIEISA-N 1 1 317.436 0.562 50 0 DCAAMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000823774856 758266323 /nfs/dbraw/zinc/26/63/23/758266323.db2.gz WRHCKMIBLZRCPV-JTQLQIEISA-N 1 1 317.436 0.562 50 0 DCAAMO COCCOCCN1CCC([N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000824447758 758773762 /nfs/dbraw/zinc/77/37/62/758773762.db2.gz KBPNUAIXNKHZDQ-AWEZNQCLSA-N 1 1 314.426 0.910 50 0 DCAAMO O=C(c1cncc(F)c1)N1CCC[N@@H+](C[C@H]2COCCO2)CC1 ZINC001529167375 1014511408 /nfs/dbraw/zinc/51/14/08/1014511408.db2.gz HWEGFXXVIFVXNF-HNNXBMFYSA-N 1 1 323.368 0.784 50 0 DCAAMO CO[C@@H](C)c1nnc(NC(=O)CN2CCC[N@@H+](C)CC2)s1 ZINC001506405617 1017254634 /nfs/dbraw/zinc/25/46/34/1017254634.db2.gz KNKOROCIMHVPIJ-JTQLQIEISA-N 1 1 313.427 0.822 50 0 DCAAMO NC(=O)Cn1ccnc1[C@H]1CCC[N@@H+](CCC(=O)NC2CC2)C1 ZINC000095508910 185375958 /nfs/dbraw/zinc/37/59/58/185375958.db2.gz DOLKHUPYOWWVLD-LBPRGKRZSA-N 1 1 319.409 0.217 50 0 DCAAMO Cn1nc2c(cc1=O)C[N@@H+](Cc1cn(-c3ccccc3)nn1)CC2 ZINC000078931524 185130433 /nfs/dbraw/zinc/13/04/33/185130433.db2.gz MJLNPLNCSLUSRD-UHFFFAOYSA-N 1 1 322.372 0.919 50 0 DCAAMO Cn1nc2c(cc1=O)C[N@H+](Cc1cn(-c3ccccc3)nn1)CC2 ZINC000078931524 185130434 /nfs/dbraw/zinc/13/04/34/185130434.db2.gz MJLNPLNCSLUSRD-UHFFFAOYSA-N 1 1 322.372 0.919 50 0 DCAAMO COc1ccc([C@H](CO)[N@H+](C)CC(=O)NC2CCOCC2)cc1 ZINC000079091208 185156347 /nfs/dbraw/zinc/15/63/47/185156347.db2.gz HFXCFXSFOYLCFF-INIZCTEOSA-N 1 1 322.405 0.956 50 0 DCAAMO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)NC2CCOCC2)cc1 ZINC000079091208 185156349 /nfs/dbraw/zinc/15/63/49/185156349.db2.gz HFXCFXSFOYLCFF-INIZCTEOSA-N 1 1 322.405 0.956 50 0 DCAAMO NS(=O)(=O)CC1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000089991718 185275338 /nfs/dbraw/zinc/27/53/38/185275338.db2.gz CNCWRNQNJBMIPR-AWEZNQCLSA-N 1 1 316.398 0.860 50 0 DCAAMO Cn1cc(CC[N@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cn1 ZINC000095402701 185355027 /nfs/dbraw/zinc/35/50/27/185355027.db2.gz BDMZUTVHNDQQDC-LBPRGKRZSA-N 1 1 302.382 0.664 50 0 DCAAMO C[C@@H]1CNC(=O)CC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000067513596 190710697 /nfs/dbraw/zinc/71/06/97/190710697.db2.gz ZSBXYETTZZCOGO-LLVKDONJSA-N 1 1 310.423 0.690 50 0 DCAAMO CCCc1cnc(C)nc1N1CC[NH2+][C@H](C(=O)NC2CC2)C1 ZINC000072149203 191054420 /nfs/dbraw/zinc/05/44/20/191054420.db2.gz VWQUCHAPMIIYOW-AWEZNQCLSA-N 1 1 303.410 0.794 50 0 DCAAMO Cn1cc[nH+]c1N1CCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000072293268 191109637 /nfs/dbraw/zinc/10/96/37/191109637.db2.gz GAPWKWWLIANEOA-UHFFFAOYSA-N 1 1 320.784 0.894 50 0 DCAAMO CC[NH+]1CCN(C(=O)CNc2nc([C@@H](C)OC)ns2)CC1 ZINC000253396731 186305854 /nfs/dbraw/zinc/30/58/54/186305854.db2.gz KYDNLXFGGDIBTR-SNVBAGLBSA-N 1 1 313.427 0.822 50 0 DCAAMO Cc1cc2nc(C)cc(NCC[N@H+]3CCC[C@H](C(N)=O)C3)n2n1 ZINC000072429395 191163333 /nfs/dbraw/zinc/16/33/33/191163333.db2.gz DYAWDVANFBMWME-ZDUSSCGKSA-N 1 1 316.409 0.955 50 0 DCAAMO CN(CCCc1cnn(C)c1)C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072473179 191175925 /nfs/dbraw/zinc/17/59/25/191175925.db2.gz KXGZZYCHFYXWBH-CQSZACIVSA-N 1 1 302.382 0.421 50 0 DCAAMO O=C(CN1CCCCC1)NCCNC(=O)C[NH+]1CCCCC1 ZINC000004197586 181084437 /nfs/dbraw/zinc/08/44/37/181084437.db2.gz ATRZMNWPVCYNHP-UHFFFAOYSA-N 1 1 310.442 0.191 50 0 DCAAMO Cc1[nH+]ccn1-c1ccc(N2CCN(S(C)(=O)=O)CC2)nn1 ZINC000075163248 191437221 /nfs/dbraw/zinc/43/72/21/191437221.db2.gz OPQKTWFCWDZVOJ-UHFFFAOYSA-N 1 1 322.394 0.052 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)n2cccc2c1=O ZINC000006799581 181390671 /nfs/dbraw/zinc/39/06/71/181390671.db2.gz JFRAJKDTJSTEHJ-ZDUSSCGKSA-N 1 1 317.393 0.405 50 0 DCAAMO Cc1scnc1C(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091350510 193045188 /nfs/dbraw/zinc/04/51/88/193045188.db2.gz IPCKKSLTZAARQY-HNNXBMFYSA-N 1 1 322.434 0.878 50 0 DCAAMO Cc1scnc1C(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091350510 193045189 /nfs/dbraw/zinc/04/51/89/193045189.db2.gz IPCKKSLTZAARQY-HNNXBMFYSA-N 1 1 322.434 0.878 50 0 DCAAMO CCc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)cc1 ZINC000091364778 193046338 /nfs/dbraw/zinc/04/63/38/193046338.db2.gz DTNBSGTUHSDTEE-IAGOWNOFSA-N 1 1 320.433 0.854 50 0 DCAAMO CCn1ncc(C(=O)N[C@H]2C[N@@H+](CCO)C[C@@H]2C2CC2)c1C ZINC000091381967 193048461 /nfs/dbraw/zinc/04/84/61/193048461.db2.gz SZYFKKKBZXNAHV-CABCVRRESA-N 1 1 306.410 0.644 50 0 DCAAMO Cn1ccnc1CN1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091410709 193051880 /nfs/dbraw/zinc/05/18/80/193051880.db2.gz SPFLYVZSVXNGMT-HZPDHXFCSA-N 1 1 321.469 0.098 50 0 DCAAMO Cc1cc(N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)nc(N)n1 ZINC000091526802 193069928 /nfs/dbraw/zinc/06/99/28/193069928.db2.gz LBMVWNPODSLIOS-ZIAGYGMSSA-N 1 1 305.426 0.898 50 0 DCAAMO CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091951770 193130918 /nfs/dbraw/zinc/13/09/18/193130918.db2.gz KLWQMYNXIMAEKM-LSDHHAIUSA-N 1 1 324.450 0.784 50 0 DCAAMO CC[N@@H+](CCO)C[C@@H]1CN(c2nc(C)cc(C)n2)C[C@@H]1CO ZINC000092020929 193143237 /nfs/dbraw/zinc/14/32/37/193143237.db2.gz OJLZHDCUVAYTMO-HUUCEWRRSA-N 1 1 308.426 0.452 50 0 DCAAMO C[N@@H+](CCO)C[C@@H]1CN(c2ncnc3ccsc32)C[C@@H]1CO ZINC000092062146 193150774 /nfs/dbraw/zinc/15/07/74/193150774.db2.gz SCEXMAUNUDVBCG-VXGBXAGGSA-N 1 1 322.434 0.660 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCc1ccccc1 ZINC000019831322 182155125 /nfs/dbraw/zinc/15/51/25/182155125.db2.gz VMMHEXGRNMUJFM-UHFFFAOYSA-N 1 1 305.378 0.141 50 0 DCAAMO CCOc1ccccc1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000019855074 182157072 /nfs/dbraw/zinc/15/70/72/182157072.db2.gz BYKBSKFUSISOOK-UHFFFAOYSA-N 1 1 307.394 0.634 50 0 DCAAMO CN(C)c1ccccc1C(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000020204261 182197430 /nfs/dbraw/zinc/19/74/30/182197430.db2.gz LELPRFVTIVXSHZ-CYBMUJFWSA-N 1 1 318.421 0.680 50 0 DCAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)n1nnc2ccccc2c1=O ZINC000020412041 182214756 /nfs/dbraw/zinc/21/47/56/182214756.db2.gz GJULKZIQHVIFCO-AWEZNQCLSA-N 1 1 315.377 0.517 50 0 DCAAMO CC[NH+]1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000020622425 182239388 /nfs/dbraw/zinc/23/93/88/182239388.db2.gz ABYHUVSNEGTDJJ-UHFFFAOYSA-N 1 1 300.362 0.630 50 0 DCAAMO COC[C@H](O)C[N@@H+](CCO)C[C@@H](O)Cn1ccc2ccccc21 ZINC000021364644 182272783 /nfs/dbraw/zinc/27/27/83/182272783.db2.gz QHFPUUSVICKZOS-HZPDHXFCSA-N 1 1 322.405 0.304 50 0 DCAAMO Cn1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC000024002025 182372422 /nfs/dbraw/zinc/37/24/22/182372422.db2.gz AXXVAYPXIVGTDC-UHFFFAOYSA-N 1 1 312.373 0.738 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2ccccc2c1=O ZINC000040496633 183081310 /nfs/dbraw/zinc/08/13/10/183081310.db2.gz XGUHPWDVIPPJTP-AWEZNQCLSA-N 1 1 314.389 0.997 50 0 DCAAMO C[N@H+]1CCN(Cc2cccn2-c2ncccn2)C[C@H]1CCO ZINC000104378297 194004034 /nfs/dbraw/zinc/00/40/34/194004034.db2.gz QNZAZXXEWGOPCZ-CQSZACIVSA-N 1 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/nfs/dbraw/zinc/35/85/95/184358595.db2.gz VZUONVOHXJTNGO-AWEZNQCLSA-N 1 1 305.353 0.921 50 0 DCAAMO C[NH+]1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1 ZINC000524733201 257214169 /nfs/dbraw/zinc/21/41/69/257214169.db2.gz FEQZRYVQSPVOBV-UHFFFAOYSA-N 1 1 306.414 0.788 50 0 DCAAMO C[N@H+]1C[C@@H](NC(=O)CN2Cc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000426581068 257246112 /nfs/dbraw/zinc/24/61/12/257246112.db2.gz ZAWUNTHUFBKJBP-KBPBESRZSA-N 1 1 303.362 0.276 50 0 DCAAMO Cc1[nH+]ccn1[C@H](C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000426555714 257247094 /nfs/dbraw/zinc/24/70/94/257247094.db2.gz ZJDGLPGKXKHWFC-LLVKDONJSA-N 1 1 314.411 0.246 50 0 DCAAMO Cc1cc(=O)c(C(=O)NCC[N@H+]2CCC[C@@H](CO)C2)cn1C ZINC000426403487 257251407 /nfs/dbraw/zinc/25/14/07/257251407.db2.gz LVWFDDJCBCIEGY-CYBMUJFWSA-N 1 1 307.394 0.128 50 0 DCAAMO O=C(NCc1nn[nH]n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426361876 257253019 /nfs/dbraw/zinc/25/30/19/257253019.db2.gz CKKRLUCYHAFXRL-GFCCVEGCSA-N 1 1 301.354 0.273 50 0 DCAAMO O=C(NCc1nn[nH]n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426361876 257253021 /nfs/dbraw/zinc/25/30/21/257253021.db2.gz CKKRLUCYHAFXRL-GFCCVEGCSA-N 1 1 301.354 0.273 50 0 DCAAMO COc1ccc(CNC(=O)N2CC[N@H+](C)[C@H](CCO)C2)cc1 ZINC000426369453 257253407 /nfs/dbraw/zinc/25/34/07/257253407.db2.gz WZJXWHHLLMWKAO-CQSZACIVSA-N 1 1 307.394 0.903 50 0 DCAAMO COc1ccc(CNC(=O)N2CC[N@@H+](C)[C@H](CCO)C2)cc1 ZINC000426369453 257253411 /nfs/dbraw/zinc/25/34/11/257253411.db2.gz WZJXWHHLLMWKAO-CQSZACIVSA-N 1 1 307.394 0.903 50 0 DCAAMO COc1ccc(CCNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000085466902 395701064 /nfs/dbraw/zinc/70/10/64/395701064.db2.gz SZZULMMUVNPNCH-CQSZACIVSA-N 1 1 321.421 0.946 50 0 DCAAMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000089274454 395709385 /nfs/dbraw/zinc/70/93/85/395709385.db2.gz SPMBSNRXFQQBKP-AWEZNQCLSA-N 1 1 313.423 0.864 50 0 DCAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)C1C(C)(C)C1(C)C ZINC000089917380 395716514 /nfs/dbraw/zinc/71/65/14/395716514.db2.gz 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CC(C)[NH+]1CCN(C(=O)c2sccc2-n2cnnn2)CC1 ZINC000071820967 396116004 /nfs/dbraw/zinc/11/60/04/396116004.db2.gz OQCIKAJCUVIARZ-UHFFFAOYSA-N 1 1 306.395 0.890 50 0 DCAAMO COc1cccc(COCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000071871251 396120489 /nfs/dbraw/zinc/12/04/89/396120489.db2.gz IIHVFOXADHHQAB-CQSZACIVSA-N 1 1 322.405 0.737 50 0 DCAAMO Cc1ccn2ncc(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)c2n1 ZINC000071871512 396120699 /nfs/dbraw/zinc/12/06/99/396120699.db2.gz AMRPBPCEJUYUMK-GFCCVEGCSA-N 1 1 303.366 0.176 50 0 DCAAMO COc1c([C@H]2CCC[N@H+]2CCCS(N)(=O)=O)c(C)nn1C ZINC000072253814 396128086 /nfs/dbraw/zinc/12/80/86/396128086.db2.gz ANVZHRGSAUPWQB-LLVKDONJSA-N 1 1 316.427 0.553 50 0 DCAAMO Cn1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cn1 ZINC000069620173 396084576 /nfs/dbraw/zinc/08/45/76/396084576.db2.gz ALNJXDMZEDWIBV-KBPBESRZSA-N 1 1 312.439 0.161 50 0 DCAAMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000074161937 396159135 /nfs/dbraw/zinc/15/91/35/396159135.db2.gz 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/nfs/dbraw/zinc/63/40/84/396634084.db2.gz WNUBGRCEVMNUCP-AAEUAGOBSA-N 1 1 318.370 0.442 50 0 DCAAMO COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@@H]2OC)cc1F ZINC000584891987 396634086 /nfs/dbraw/zinc/63/40/86/396634086.db2.gz WNUBGRCEVMNUCP-AAEUAGOBSA-N 1 1 318.370 0.442 50 0 DCAAMO Cc1n[nH]nc1C(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584899932 396636582 /nfs/dbraw/zinc/63/65/82/396636582.db2.gz YMJPEHCFKUEBHY-PHIMTYICSA-N 1 1 307.398 0.827 50 0 DCAAMO Cc1nn[nH]c1C(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584899932 396636583 /nfs/dbraw/zinc/63/65/83/396636583.db2.gz YMJPEHCFKUEBHY-PHIMTYICSA-N 1 1 307.398 0.827 50 0 DCAAMO Cc1nn[nH]c1C(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584899932 396636585 /nfs/dbraw/zinc/63/65/85/396636585.db2.gz YMJPEHCFKUEBHY-PHIMTYICSA-N 1 1 307.398 0.827 50 0 DCAAMO CC(=O)N1CCCN([C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C)CC1 ZINC000299754188 396713925 /nfs/dbraw/zinc/71/39/25/396713925.db2.gz NFDHFEZAZGSNLJ-CWRNSKLLSA-N 1 1 322.453 0.092 50 0 DCAAMO CC(=O)N1CCC[N@@H+]([C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]2C)CC1 ZINC000299754188 396713929 /nfs/dbraw/zinc/71/39/29/396713929.db2.gz NFDHFEZAZGSNLJ-CWRNSKLLSA-N 1 1 322.453 0.092 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]2C)CC1 ZINC000299754188 396713931 /nfs/dbraw/zinc/71/39/31/396713931.db2.gz NFDHFEZAZGSNLJ-CWRNSKLLSA-N 1 1 322.453 0.092 50 0 DCAAMO C[C@H]1C[NH+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000027270186 415169640 /nfs/dbraw/zinc/16/96/40/415169640.db2.gz LXLIOUXEOPUVRB-RYUDHWBXSA-N 1 1 314.407 0.822 50 0 DCAAMO Cc1ccc(CNC(=O)NC2CC[NH+](CC(N)=O)CC2)s1 ZINC000044967548 415240578 /nfs/dbraw/zinc/24/05/78/415240578.db2.gz ZVOHBTAXXRRLSL-UHFFFAOYSA-N 1 1 310.423 0.805 50 0 DCAAMO O=C(NCC[NH+]1CCCCC1)NC[C@H]1CCS(=O)(=O)C1 ZINC000045208625 415243336 /nfs/dbraw/zinc/24/33/36/415243336.db2.gz POENRVBNQIKKKN-GFCCVEGCSA-N 1 1 303.428 0.206 50 0 DCAAMO C[C@@]1(C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1(Cl)Cl ZINC000048273488 415286200 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CCS(=O)(=O)NCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000071907830 276391835 /nfs/dbraw/zinc/39/18/35/276391835.db2.gz KBICVXTVYQFIDS-HNNXBMFYSA-N 1 1 312.435 0.908 50 0 DCAAMO COC(=O)c1cc2occc2n1C[C@H](O)C[NH+]1CCOCC1 ZINC000025758189 277425378 /nfs/dbraw/zinc/42/53/78/277425378.db2.gz PUSYXRLDKZFDPR-LLVKDONJSA-N 1 1 308.334 0.714 50 0 DCAAMO CC(C)NC(=O)NC(=O)[C@H](C)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000089885270 277657068 /nfs/dbraw/zinc/65/70/68/277657068.db2.gz LYTLRHCRUYQJOK-QWHCGFSZSA-N 1 1 312.414 0.016 50 0 DCAAMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000229265060 279208013 /nfs/dbraw/zinc/20/80/13/279208013.db2.gz DILJFTNDIFEYAE-ZYHUDNBSSA-N 1 1 307.419 0.829 50 0 DCAAMO C[C@H](O)C[NH+]1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000071877431 290115607 /nfs/dbraw/zinc/11/56/07/290115607.db2.gz LRYZNOTXXUKNOG-GOEBONIOSA-N 1 1 305.422 0.814 50 0 DCAAMO C[NH+]1CCN(CC2(CNC(=O)c3ccncc3F)CC2)CC1 ZINC000534631751 334307513 /nfs/dbraw/zinc/30/75/13/334307513.db2.gz 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545937718 /nfs/dbraw/zinc/93/77/18/545937718.db2.gz AMPVMGBMQHYPBX-CYBMUJFWSA-N 1 1 318.421 0.737 50 0 DCAAMO COc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c(OC)n1 ZINC000670462337 547098987 /nfs/dbraw/zinc/09/89/87/547098987.db2.gz SCHYZJWGZZXBIT-GFCCVEGCSA-N 1 1 323.393 0.675 50 0 DCAAMO CN1CC2(CCN(C(=O)[C@@]3(C)CC[N@@H+](C)C3)CC2)OCC1=O ZINC000670468944 547100484 /nfs/dbraw/zinc/10/04/84/547100484.db2.gz JKSUFPFLJMEZKM-HNNXBMFYSA-N 1 1 309.410 0.178 50 0 DCAAMO Cc1[nH+]ccn1CC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000244795694 660602366 /nfs/dbraw/zinc/60/23/66/660602366.db2.gz RLYIFXLCFYHJJU-UHFFFAOYSA-N 1 1 322.409 0.837 50 0 DCAAMO Cc1[nH+]ccn1CC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000244795694 660602368 /nfs/dbraw/zinc/60/23/68/660602368.db2.gz RLYIFXLCFYHJJU-UHFFFAOYSA-N 1 1 322.409 0.837 50 0 DCAAMO O=C(NCCCc1nn[nH]n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000426734185 661704081 /nfs/dbraw/zinc/70/40/81/661704081.db2.gz XWLGGTSOXQEOMR-GFCCVEGCSA-N 1 1 307.402 0.402 50 0 DCAAMO Cc1nc(CNC[C@]2(O)CCCN(CC(C)(C)C)C2=O)n[nH]1 ZINC000012387529 666580312 /nfs/dbraw/zinc/58/03/12/666580312.db2.gz QOIAXLVUPFNTDC-OAHLLOKOSA-N 1 1 309.414 0.602 50 0 DCAAMO Cc1nnc(C[NH2+]C[C@]2(O)CCCN(CC(C)(C)C)C2=O)[nH]1 ZINC000012387529 666580313 /nfs/dbraw/zinc/58/03/13/666580313.db2.gz QOIAXLVUPFNTDC-OAHLLOKOSA-N 1 1 309.414 0.602 50 0 DCAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOC[C@H]1CO ZINC000864094420 667214503 /nfs/dbraw/zinc/21/45/03/667214503.db2.gz UZKMTWSPAZTXDK-JKSUJKDBSA-N 1 1 319.405 0.664 50 0 DCAAMO Cc1cc(=O)cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)o1 ZINC000220254552 669778249 /nfs/dbraw/zinc/77/82/49/669778249.db2.gz PTCKRJJMIHYIJY-SLBVQIDZSA-N 1 1 318.373 0.930 50 0 DCAAMO Cc1noc([C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952990929 685602556 /nfs/dbraw/zinc/60/25/56/685602556.db2.gz MZJTUMKYWACOQI-RYUDHWBXSA-N 1 1 321.381 0.239 50 0 DCAAMO Cc1noc([C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000952990929 685602560 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CC[N@H+]1CCO[C@@H](CCNC(=O)c2nnc3n2CCCCC3)C1 ZINC000067741557 685069101 /nfs/dbraw/zinc/06/91/01/685069101.db2.gz FJTXVRVEIXUNDQ-ZDUSSCGKSA-N 1 1 321.425 0.845 50 0 DCAAMO CCc1c[nH+]c(N)nc1N1CCC(C(=O)N[C@@H](C)COC)CC1 ZINC001772706237 1157845511 /nfs/dbraw/zinc/84/55/11/1157845511.db2.gz IHRQECKYQKRBSQ-NSHDSACASA-N 1 1 321.425 0.989 50 0 DCAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC[NH+](CCC(=O)[O-])CC1 ZINC001772710579 1157847365 /nfs/dbraw/zinc/84/73/65/1157847365.db2.gz BVCPVXFHXGSNCX-CQSZACIVSA-N 1 1 311.426 0.870 50 0 DCAAMO C[NH+]1CCCCC[C@@H]1C(=O)N1CCC[N@H+](CCC(=O)[O-])CC1 ZINC001772710579 1157847378 /nfs/dbraw/zinc/84/73/78/1157847378.db2.gz BVCPVXFHXGSNCX-CQSZACIVSA-N 1 1 311.426 0.870 50 0 DCAAMO C[NH+]1CCCCC[C@@H]1C(=O)N1CCC[N@@H+](CCC(=O)[O-])CC1 ZINC001772710579 1157847386 /nfs/dbraw/zinc/84/73/86/1157847386.db2.gz BVCPVXFHXGSNCX-CQSZACIVSA-N 1 1 311.426 0.870 50 0 DCAAMO C[N@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)COc1ccc(F)cc1)C2 ZINC001704304545 1179968135 /nfs/dbraw/zinc/96/81/35/1179968135.db2.gz GRIDVJHEUQNWNV-JSGCOSHPSA-N 1 1 308.353 0.994 50 0 DCAAMO CN(CC(=O)N1C[C@H]2COC[C@@H]1C[N@@H+](C)C2)Cc1cccnc1 ZINC001704311603 1179970053 /nfs/dbraw/zinc/97/00/53/1179970053.db2.gz NNBKSMHUHDIBBT-HOTGVXAUSA-N 1 1 318.421 0.302 50 0 DCAAMO Cc1c(C(=O)N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)cnn1C ZINC001704340102 1179978830 /nfs/dbraw/zinc/97/88/30/1179978830.db2.gz USINJHKIYZPIFF-GDBMZVCRSA-N 1 1 306.410 0.647 50 0 DCAAMO COCC[N@H+](C)CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001704352911 1179982732 /nfs/dbraw/zinc/98/27/32/1179982732.db2.gz MJRMCTSOQRPRMP-HUUCEWRRSA-N 1 1 307.394 0.334 50 0 DCAAMO COCC[N@@H+](C)CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001704352911 1179982738 /nfs/dbraw/zinc/98/27/38/1179982738.db2.gz MJRMCTSOQRPRMP-HUUCEWRRSA-N 1 1 307.394 0.334 50 0 DCAAMO C[NH+]1CCN(C(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)CC1 ZINC000581787195 760248828 /nfs/dbraw/zinc/24/88/28/760248828.db2.gz CZLHISOXAVWWBN-HNNXBMFYSA-N 1 1 317.389 0.188 50 0 DCAAMO 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/nfs/dbraw/zinc/25/32/81/1017253281.db2.gz SGUWKNLRLOYTEH-GFCCVEGCSA-N 1 1 302.382 0.380 50 0 DCAAMO CN(Cc1noc(C2CC2)n1)c1nc(N2CC[C@@H](O)C2)cc[nH+]1 ZINC001506412352 1017261577 /nfs/dbraw/zinc/26/15/77/1017261577.db2.gz COCREFXOLOJBMA-LLVKDONJSA-N 1 1 316.365 0.944 50 0 DCAAMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC000079099493 185158309 /nfs/dbraw/zinc/15/83/09/185158309.db2.gz XCCCOZLMWLDUFA-FZMZJTMJSA-N 1 1 320.393 0.678 50 0 DCAAMO Nc1cc[nH+]c(N2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)n1 ZINC000082121614 192359294 /nfs/dbraw/zinc/35/92/94/192359294.db2.gz PZGWESJJKDDPKB-MRXNPFEDSA-N 1 1 319.409 0.650 50 0 DCAAMO NS(=O)(=O)N1CCC[N@@H+](Cc2ccc3ccccc3n2)CC1 ZINC000095398991 185353896 /nfs/dbraw/zinc/35/38/96/185353896.db2.gz ROFNNHOEXHYMTP-UHFFFAOYSA-N 1 1 320.418 0.946 50 0 DCAAMO COCc1cc(CN(C)Cc2cc3n(n2)CCC[NH2+]C3)n[nH]1 ZINC000072122402 191039970 /nfs/dbraw/zinc/03/99/70/191039970.db2.gz MVJUWEIQGXSHEH-UHFFFAOYSA-N 1 1 304.398 0.878 50 0 DCAAMO 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SPXDTWKXOONXED-NSHDSACASA-N 1 1 322.409 0.596 50 0 DCAAMO CCS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000004411733 181107582 /nfs/dbraw/zinc/10/75/82/181107582.db2.gz ANNCQJZNNUDOOB-UHFFFAOYSA-N 1 1 311.407 0.836 50 0 DCAAMO C[C@H](CNC(=O)C1(O)Cc2ccccc2C1)C[NH+]1CCOCC1 ZINC000081432361 192263084 /nfs/dbraw/zinc/26/30/84/192263084.db2.gz KKSSMKCMGMRLQC-CQSZACIVSA-N 1 1 318.417 0.601 50 0 DCAAMO NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000106830191 283325400 /nfs/dbraw/zinc/32/54/00/283325400.db2.gz AVWGNDJOFLKKSK-CABCVRRESA-N 1 1 301.390 0.985 50 0 DCAAMO O=C(NCc1cccnc1OCC(F)(F)F)[C@@H]1COCC[NH2+]1 ZINC000237905851 202386155 /nfs/dbraw/zinc/38/61/55/202386155.db2.gz RASJRDQRDYNSKE-JTQLQIEISA-N 1 1 319.283 0.627 50 0 DCAAMO O=C(C[N@H+]1CC[C@@]2(C1)CCCNC2=O)NCc1ccccc1 ZINC000091445166 193057094 /nfs/dbraw/zinc/05/70/94/193057094.db2.gz XBVYQZQZBLGTNM-QGZVFWFLSA-N 1 1 301.390 0.905 50 0 DCAAMO C[N@H+]1CCN(Cc2nnc(C3CC3)o2)C[C@]12CCNC(=O)CC2 ZINC000091411958 193051437 /nfs/dbraw/zinc/05/14/37/193051437.db2.gz IFFRCYUDZGMJMH-INIZCTEOSA-N 1 1 319.409 0.733 50 0 DCAAMO Cc1cc(C)c(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C ZINC000091865738 193120506 /nfs/dbraw/zinc/12/05/06/193120506.db2.gz UNCVBGWVJNAJNA-OAHLLOKOSA-N 1 1 301.390 0.754 50 0 DCAAMO Cc1cc(C)c(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C ZINC000091865738 193120507 /nfs/dbraw/zinc/12/05/07/193120507.db2.gz UNCVBGWVJNAJNA-OAHLLOKOSA-N 1 1 301.390 0.754 50 0 DCAAMO CCc1noc(C[N@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000092098685 193158691 /nfs/dbraw/zinc/15/86/91/193158691.db2.gz QUVGDAANFGKLSV-HNNXBMFYSA-N 1 1 308.382 0.439 50 0 DCAAMO C[NH+]1CCN(c2ncc(CN3CCOCC34CCC4)cn2)CC1 ZINC000093510316 193261929 /nfs/dbraw/zinc/26/19/29/193261929.db2.gz SIMCTIHMKUIHLS-UHFFFAOYSA-N 1 1 317.437 0.983 50 0 DCAAMO C[C@@H]1CCC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000012602381 181782299 /nfs/dbraw/zinc/78/22/99/181782299.db2.gz KHUWFAQUFRAOHH-GFCCVEGCSA-N 1 1 319.409 0.556 50 0 DCAAMO Cc1cc(C)cc(OC[C@H](O)CN2CC[NH+](CCO)CC2)c1 ZINC000019771009 182145025 /nfs/dbraw/zinc/14/50/25/182145025.db2.gz WKJPBSOMKCZZOW-MRXNPFEDSA-N 1 1 308.422 0.653 50 0 DCAAMO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN(CCO)CC2)c1 ZINC000019771009 182145026 /nfs/dbraw/zinc/14/50/26/182145026.db2.gz WKJPBSOMKCZZOW-MRXNPFEDSA-N 1 1 308.422 0.653 50 0 DCAAMO O[C@@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCOCC1 ZINC000019770746 182145285 /nfs/dbraw/zinc/14/52/85/182145285.db2.gz RPEZPIZPVMBCDB-ZIAGYGMSSA-N 1 1 309.362 0.536 50 0 DCAAMO O=C(CN1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020367076 182211961 /nfs/dbraw/zinc/21/19/61/182211961.db2.gz DCFLLGGLAKZSHN-UHFFFAOYSA-N 1 1 303.406 0.663 50 0 DCAAMO O=C(CN1CCC[C@H](O)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020942021 182255674 /nfs/dbraw/zinc/25/56/74/182255674.db2.gz UPDHAVJZLGTVOX-SJORKVTESA-N 1 1 317.433 0.834 50 0 DCAAMO Cn1ncc(C(=O)NCCC[NH+]2CCOCC2)c1-n1cccc1 ZINC000040512815 183088395 /nfs/dbraw/zinc/08/83/95/183088395.db2.gz REDGQNCEILYXJY-UHFFFAOYSA-N 1 1 317.393 0.663 50 0 DCAAMO Cc1cc(CNC(=O)CN2CC[NH+](CCO)CC2)ccc1F ZINC000042287259 183250147 /nfs/dbraw/zinc/25/01/47/183250147.db2.gz XDLZFFKLLDTSBN-UHFFFAOYSA-N 1 1 309.385 0.360 50 0 DCAAMO O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000106094613 194184866 /nfs/dbraw/zinc/18/48/66/194184866.db2.gz LIFJZSOGDWJKGI-GRYCIOLGSA-N 1 1 301.412 0.100 50 0 DCAAMO COc1cccc(C[N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000056640581 184016804 /nfs/dbraw/zinc/01/68/04/184016804.db2.gz HFTNXTIAWFWVQA-UHFFFAOYSA-N 1 1 303.362 0.725 50 0 DCAAMO COc1ncccc1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000058377602 184110047 /nfs/dbraw/zinc/11/00/47/184110047.db2.gz OIPPPOKWLCEYTP-UHFFFAOYSA-N 1 1 306.410 0.848 50 0 DCAAMO C[N@H+]1C[C@H](NC(=O)c2cccc(-n3cnnc3)c2)C[C@H]1CO ZINC000065395908 184334998 /nfs/dbraw/zinc/33/49/98/184334998.db2.gz BUPRPBDHYHGBQQ-OCCSQVGLSA-N 1 1 301.350 0.062 50 0 DCAAMO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C(=O)[O-])C2)o1 ZINC000065395716 184335106 /nfs/dbraw/zinc/33/51/06/184335106.db2.gz MHISDEFAJDBBIV-ZBEGNZNMSA-N 1 1 321.377 0.430 50 0 DCAAMO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C(=O)[O-])C2)o1 ZINC000065395716 184335107 /nfs/dbraw/zinc/33/51/07/184335107.db2.gz MHISDEFAJDBBIV-ZBEGNZNMSA-N 1 1 321.377 0.430 50 0 DCAAMO CC(C)[C@H](CNC(=O)N[C@H](C)Cn1ccnc1)[NH+]1CCOCC1 ZINC000065399561 184336752 /nfs/dbraw/zinc/33/67/52/184336752.db2.gz RCNJRXSCGTYODO-CABCVRRESA-N 1 1 323.441 0.928 50 0 DCAAMO C[C@@H](C(=O)NCc1cnc2c(c1)CCC2)N1CC[NH+](C)CC1 ZINC000426615189 257245022 /nfs/dbraw/zinc/24/50/22/257245022.db2.gz QUSLNCOMKQWYQZ-ZDUSSCGKSA-N 1 1 302.422 0.822 50 0 DCAAMO C[N@H+]1CCCC[C@H]1CC(=O)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000426556093 257246716 /nfs/dbraw/zinc/24/67/16/257246716.db2.gz ZKARJTZYROPLFB-ZDUSSCGKSA-N 1 1 319.409 0.293 50 0 DCAAMO Cc1nn(C)c(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)c1Cl ZINC000426544459 257246833 /nfs/dbraw/zinc/24/68/33/257246833.db2.gz RKBYDDDBEFOCOK-JTQLQIEISA-N 1 1 300.790 0.690 50 0 DCAAMO 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395848224 /nfs/dbraw/zinc/84/82/24/395848224.db2.gz UQJUNHGVWHHOPB-OAHLLOKOSA-N 1 1 319.405 0.461 50 0 DCAAMO CC(C)(C)n1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cn1 ZINC000051227182 395848264 /nfs/dbraw/zinc/84/82/64/395848264.db2.gz WRHNHYBMOMCCQE-UHFFFAOYSA-N 1 1 307.398 0.318 50 0 DCAAMO C[N@H+]1CCOC[C@@H](CNC(=O)Cn2cnc3ccccc32)C1 ZINC000220754175 395849404 /nfs/dbraw/zinc/84/94/04/395849404.db2.gz SHZPZMBMWMDFHH-ZDUSSCGKSA-N 1 1 302.378 0.731 50 0 DCAAMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000054411044 395900118 /nfs/dbraw/zinc/90/01/18/395900118.db2.gz PYEUYWVLYRHHRG-CYBMUJFWSA-N 1 1 305.382 0.744 50 0 DCAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCOc1ccccc1 ZINC000055384789 395918129 /nfs/dbraw/zinc/91/81/29/395918129.db2.gz TUEBGZUOZXOUKU-HNNXBMFYSA-N 1 1 319.405 0.781 50 0 DCAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCOc1ccccc1 ZINC000055384789 395918132 /nfs/dbraw/zinc/91/81/32/395918132.db2.gz TUEBGZUOZXOUKU-HNNXBMFYSA-N 1 1 319.405 0.781 50 0 DCAAMO O=C(NCCn1cnnn1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000244811351 395925448 /nfs/dbraw/zinc/92/54/48/395925448.db2.gz SBJAZOUZPBJBMH-HNNXBMFYSA-N 1 1 314.393 0.844 50 0 DCAAMO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000225533296 395861686 /nfs/dbraw/zinc/86/16/86/395861686.db2.gz DWMPVCWBPDJXJF-WCFLWFBJSA-N 1 1 301.770 0.426 50 0 DCAAMO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CC[NH+](CCO)CC1 ZINC000052876741 395872814 /nfs/dbraw/zinc/87/28/14/395872814.db2.gz VOHCSGSKYPRKID-HNNXBMFYSA-N 1 1 317.433 0.570 50 0 DCAAMO C[N@@H+](C[C@@H](O)Cn1cccn1)C[C@@H]1CCCN1c1cccnn1 ZINC000229556109 395875674 /nfs/dbraw/zinc/87/56/74/395875674.db2.gz PEUZKZHFKNOAHV-LSDHHAIUSA-N 1 1 316.409 0.635 50 0 DCAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C)CC1 ZINC000229828965 395876878 /nfs/dbraw/zinc/87/68/78/395876878.db2.gz BJDOVCPLBYQGOR-GOEBONIOSA-N 1 1 320.441 0.153 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN(CCn3cncn3)C[C@@H]2C)CC1 ZINC000229828965 395876883 /nfs/dbraw/zinc/87/68/83/395876883.db2.gz BJDOVCPLBYQGOR-GOEBONIOSA-N 1 1 320.441 0.153 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC000248159621 395983387 /nfs/dbraw/zinc/98/33/87/395983387.db2.gz WXYOXQLAKIVAIE-KKUMJFAQSA-N 1 1 306.410 0.439 50 0 DCAAMO C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCSC2)CC1(C)C ZINC000252508893 396022259 /nfs/dbraw/zinc/02/22/59/396022259.db2.gz XXAQRHRTRLBWOZ-GFCCVEGCSA-N 1 1 300.472 0.817 50 0 DCAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccnnc1 ZINC000253402315 396026896 /nfs/dbraw/zinc/02/68/96/396026896.db2.gz GGWCTUSTDMXPCN-JKSUJKDBSA-N 1 1 312.373 0.699 50 0 DCAAMO O=C(CCn1cnnn1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000067757178 396033206 /nfs/dbraw/zinc/03/32/06/396033206.db2.gz XKHFVFIJKSTVBJ-UHFFFAOYSA-N 1 1 315.381 0.193 50 0 DCAAMO O=C(CCn1cnnn1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000067757178 396033208 /nfs/dbraw/zinc/03/32/08/396033208.db2.gz XKHFVFIJKSTVBJ-UHFFFAOYSA-N 1 1 315.381 0.193 50 0 DCAAMO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCNCC3)cnn2c1 ZINC000067817862 396034827 /nfs/dbraw/zinc/03/48/27/396034827.db2.gz YEPYJPXJUGBGQW-UHFFFAOYSA-N 1 1 316.409 0.617 50 0 DCAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO)c1cnco1 ZINC000257192806 396035185 /nfs/dbraw/zinc/03/51/85/396035185.db2.gz QYTZSBBPQJQOKY-UONOGXRCSA-N 1 1 301.346 0.897 50 0 DCAAMO CCc1noc(C[N@@H+]2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)n1 ZINC000257365963 396046644 /nfs/dbraw/zinc/04/66/44/396046644.db2.gz DKSFSXHWJAYWIM-BONVTDFDSA-N 1 1 321.381 0.784 50 0 DCAAMO CCc1noc(C[N@H+]2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)n1 ZINC000257365963 396046647 /nfs/dbraw/zinc/04/66/47/396046647.db2.gz DKSFSXHWJAYWIM-BONVTDFDSA-N 1 1 321.381 0.784 50 0 DCAAMO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000257366053 396047015 /nfs/dbraw/zinc/04/70/15/396047015.db2.gz HQFVOSOXLBMAQP-OZVIIMIRSA-N 1 1 324.425 0.553 50 0 DCAAMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)N1CCOC[C@H]1C ZINC000257365576 396047042 /nfs/dbraw/zinc/04/70/42/396047042.db2.gz SZZASPHXKVHGJS-MGPQQGTHSA-N 1 1 317.455 0.511 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)CC1 ZINC000257366268 396047106 /nfs/dbraw/zinc/04/71/06/396047106.db2.gz QBKWYJAOPWUOHF-DVOMOZLQSA-N 1 1 322.453 0.138 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@H]1CO)N[C@H]1CCN(c2ccccn2)C1 ZINC000252485998 396020711 /nfs/dbraw/zinc/02/07/11/396020711.db2.gz CHBMRFXNZJXXBH-KBPBESRZSA-N 1 1 304.394 0.233 50 0 DCAAMO C[C@H]1CC[N@@H+](CCCNS(C)(=O)=O)C[C@H]1n1ccnc1 ZINC000252486316 396021123 /nfs/dbraw/zinc/02/11/23/396021123.db2.gz IHGDPHGCUMHUCB-QWHCGFSZSA-N 1 1 300.428 0.705 50 0 DCAAMO Cc1noc([C@H](C)N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)n1 ZINC000069697297 396086766 /nfs/dbraw/zinc/08/67/66/396086766.db2.gz VZCLZHRWAZZPIE-GXTWGEPZSA-N 1 1 320.397 0.314 50 0 DCAAMO CCOCC[N@H+]1CCN(c2ccc3nnnn3n2)C[C@@H]1CC ZINC000069697908 396087217 /nfs/dbraw/zinc/08/72/17/396087217.db2.gz FJBLVSVZCNHDNL-LBPRGKRZSA-N 1 1 305.386 0.456 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2C[C@H](O)CN2CCOCC2)n1 ZINC000069705945 396088009 /nfs/dbraw/zinc/08/80/09/396088009.db2.gz LPSVLSSURZZPFV-JKSUJKDBSA-N 1 1 323.441 0.052 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@@H]1CO)NC[C@@H]1COc2ccccc2O1 ZINC000069743726 396089664 /nfs/dbraw/zinc/08/96/64/396089664.db2.gz BSYDPSFPONLUCZ-CHWSQXEVSA-N 1 1 306.362 0.399 50 0 DCAAMO Cc1cc(NC(=O)CC[N@@H+]2CCO[C@H](Cn3cncn3)C2)no1 ZINC000069810834 396091122 /nfs/dbraw/zinc/09/11/22/396091122.db2.gz JQMAEWPNKQAHRR-LBPRGKRZSA-N 1 1 320.353 0.304 50 0 DCAAMO Cc1cc(NC(=O)CC[N@H+]2CCO[C@H](Cn3cncn3)C2)no1 ZINC000069810834 396091123 /nfs/dbraw/zinc/09/11/23/396091123.db2.gz JQMAEWPNKQAHRR-LBPRGKRZSA-N 1 1 320.353 0.304 50 0 DCAAMO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)CC2 ZINC000069899681 396094841 /nfs/dbraw/zinc/09/48/41/396094841.db2.gz ADHKFFOFGOHVAI-LBPRGKRZSA-N 1 1 324.392 0.921 50 0 DCAAMO COCCOc1cccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000069947243 396095335 /nfs/dbraw/zinc/09/53/35/396095335.db2.gz 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182247998 /nfs/dbraw/zinc/24/79/98/182247998.db2.gz IJWOTKAOBJCXNC-CQSZACIVSA-N 1 1 310.394 0.045 50 0 DCAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000021048149 182263622 /nfs/dbraw/zinc/26/36/22/182263622.db2.gz NDYDKAIAWRVPBY-QWRGUYRKSA-N 1 1 308.382 0.388 50 0 DCAAMO COc1ccc(OC)c(COC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000022918047 182341366 /nfs/dbraw/zinc/34/13/66/182341366.db2.gz CGTSIPNCQIPFPD-HNNXBMFYSA-N 1 1 324.421 0.829 50 0 DCAAMO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000040459272 183069512 /nfs/dbraw/zinc/06/95/12/183069512.db2.gz CUQYVDZAWARQTN-GJZGRUSLSA-N 1 1 322.409 0.155 50 0 DCAAMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000106064568 194184381 /nfs/dbraw/zinc/18/43/81/194184381.db2.gz ODKDGZIJAATCKW-MNOVXSKESA-N 1 1 322.409 0.359 50 0 DCAAMO CN1CCN2CCN(Cc3cccc(C[NH+](C)C)c3)C[C@H]2C1=O ZINC000106708129 194246198 /nfs/dbraw/zinc/24/61/98/194246198.db2.gz ZATLFPBNEQCUKK-KRWDZBQOSA-N 1 1 316.449 0.706 50 0 DCAAMO COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000106763322 194250071 /nfs/dbraw/zinc/25/00/71/194250071.db2.gz MFINMSJDDOZXDT-QWHCGFSZSA-N 1 1 312.414 0.999 50 0 DCAAMO CCC[N@@H+](CCO)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000052915286 183880089 /nfs/dbraw/zinc/88/00/89/183880089.db2.gz IUCNXBUWZCLHQL-CYBMUJFWSA-N 1 1 300.399 0.492 50 0 DCAAMO O=C(CN1CC[NH+](CCO)CC1)N(Cc1ccsc1)C1CC1 ZINC000064030636 184292166 /nfs/dbraw/zinc/29/21/66/184292166.db2.gz QCISFQGIUBICEH-UHFFFAOYSA-N 1 1 323.462 0.849 50 0 DCAAMO Cc1cc(C)n([C@@H](C)CNC(=O)c2cc3n(n2)CC[NH2+]C3)n1 ZINC000065386381 184333330 /nfs/dbraw/zinc/33/33/30/184333330.db2.gz PWZUAVILFIASJK-LBPRGKRZSA-N 1 1 302.382 0.791 50 0 DCAAMO CCn1cc(C2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)cn1 ZINC000065578361 184368048 /nfs/dbraw/zinc/36/80/48/184368048.db2.gz SBVJRVKNRRUQCJ-UHFFFAOYSA-N 1 1 319.409 0.041 50 0 DCAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1cnnn1 ZINC000524731994 257213863 /nfs/dbraw/zinc/21/38/63/257213863.db2.gz 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ZINC000014532189 395689458 /nfs/dbraw/zinc/68/94/58/395689458.db2.gz KXKOJGGDHFDPAV-OAHLLOKOSA-N 1 1 301.390 0.788 50 0 DCAAMO C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC000025480228 395693456 /nfs/dbraw/zinc/69/34/56/395693456.db2.gz LXYZGDDVXFRMDT-CYBMUJFWSA-N 1 1 305.378 0.344 50 0 DCAAMO Cc1cccc(CC(=O)N2CCOC[C@@H]2C[N@@H+](C)CCO)c1 ZINC000085470022 395701307 /nfs/dbraw/zinc/70/13/07/395701307.db2.gz BHJLJLRRTAOPGX-INIZCTEOSA-N 1 1 306.406 0.689 50 0 DCAAMO CN(C(=O)CN1CCC[N@H+](CC(=O)N2CCCC2)CC1)C1CC1 ZINC000089334653 395710103 /nfs/dbraw/zinc/71/01/03/395710103.db2.gz RSTZOFCWUFJOLU-UHFFFAOYSA-N 1 1 322.453 0.237 50 0 DCAAMO CN(C(=O)CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1)C1CC1 ZINC000089334653 395710105 /nfs/dbraw/zinc/71/01/05/395710105.db2.gz RSTZOFCWUFJOLU-UHFFFAOYSA-N 1 1 322.453 0.237 50 0 DCAAMO CN(C(=O)C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC000089334653 395710107 /nfs/dbraw/zinc/71/01/07/395710107.db2.gz RSTZOFCWUFJOLU-UHFFFAOYSA-N 1 1 322.453 0.237 50 0 DCAAMO CN(C(=O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC000089334653 395710109 /nfs/dbraw/zinc/71/01/09/395710109.db2.gz RSTZOFCWUFJOLU-UHFFFAOYSA-N 1 1 322.453 0.237 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)c2nncn2C)C1 ZINC000089840200 395715910 /nfs/dbraw/zinc/71/59/10/395715910.db2.gz HTUXAQYNYFABCB-STQMWFEESA-N 1 1 324.429 0.532 50 0 DCAAMO C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CCN1c1nccs1 ZINC000089939427 395717099 /nfs/dbraw/zinc/71/70/99/395717099.db2.gz YYRVSEPITRZPCJ-JTQLQIEISA-N 1 1 309.395 0.205 50 0 DCAAMO C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCN1c1nccs1 ZINC000089939427 395717101 /nfs/dbraw/zinc/71/71/01/395717101.db2.gz YYRVSEPITRZPCJ-JTQLQIEISA-N 1 1 309.395 0.205 50 0 DCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000089938107 395717348 /nfs/dbraw/zinc/71/73/48/395717348.db2.gz IQNMRGCBAZPMOB-LBPRGKRZSA-N 1 1 316.361 0.666 50 0 DCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000089938107 395717350 /nfs/dbraw/zinc/71/73/50/395717350.db2.gz 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/nfs/dbraw/zinc/89/61/81/395896181.db2.gz CXLWYKLASOBRSX-UHFFFAOYSA-N 1 1 316.405 0.157 50 0 DCAAMO C[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000124583744 395901524 /nfs/dbraw/zinc/90/15/24/395901524.db2.gz RQHJRJHAWXJHDR-CYBMUJFWSA-N 1 1 303.410 0.267 50 0 DCAAMO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000225747366 395863077 /nfs/dbraw/zinc/86/30/77/395863077.db2.gz OSCOVMOZBOVKBL-KKUMJFAQSA-N 1 1 323.437 0.567 50 0 DCAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCNC(=O)C2)C[C@@H](C)O1 ZINC000119230429 395867769 /nfs/dbraw/zinc/86/77/69/395867769.db2.gz OXVCBCGUTDQNRF-JHJVBQTASA-N 1 1 311.426 0.517 50 0 DCAAMO CN1C(=O)C(=O)N(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC000229548589 395874856 /nfs/dbraw/zinc/87/48/56/395874856.db2.gz FRPGJVPZOFFFCH-CYBMUJFWSA-N 1 1 316.361 0.353 50 0 DCAAMO CN1C(=O)C(=O)N(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC000229548589 395874858 /nfs/dbraw/zinc/87/48/58/395874858.db2.gz FRPGJVPZOFFFCH-CYBMUJFWSA-N 1 1 316.361 0.353 50 0 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ZINC000069774898 396090224 /nfs/dbraw/zinc/09/02/24/396090224.db2.gz KOCRJLCQNNJBRT-LLVKDONJSA-N 1 1 309.414 0.618 50 0 DCAAMO COCc1ccc(CNC(=O)CN2CC[NH+](CCO)CC2)cc1 ZINC000069773468 396090267 /nfs/dbraw/zinc/09/02/67/396090267.db2.gz YTKIYYWPCJRUQA-UHFFFAOYSA-N 1 1 321.421 0.059 50 0 DCAAMO CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)CCO1 ZINC000069841454 396092150 /nfs/dbraw/zinc/09/21/50/396092150.db2.gz ZUHQHHIITZRSGN-LSDHHAIUSA-N 1 1 321.425 0.628 50 0 DCAAMO COc1ccc(-c2nc(CN3CC[NH+](CCO)CC3)no2)cc1 ZINC000069947232 396095443 /nfs/dbraw/zinc/09/54/43/396095443.db2.gz IXZSTHQFXCCTQU-UHFFFAOYSA-N 1 1 318.377 0.855 50 0 DCAAMO Cc1cnn(C[C@H]2CCC[N@H+]2CCC(=O)N2CCOCC2)c1 ZINC000070039490 396099307 /nfs/dbraw/zinc/09/93/07/396099307.db2.gz ROUYNXWPQUHRSW-OAHLLOKOSA-N 1 1 306.410 0.905 50 0 DCAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccncn3)C2)CC1 ZINC000071775566 396114320 /nfs/dbraw/zinc/11/43/20/396114320.db2.gz OELBOLTZLXGFLP-CQSZACIVSA-N 1 1 317.437 0.899 50 0 DCAAMO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)CC1 ZINC000071830531 396118122 /nfs/dbraw/zinc/11/81/22/396118122.db2.gz IJXGQATWUFBJOP-CQSZACIVSA-N 1 1 308.426 0.735 50 0 DCAAMO CC1CCN(C(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)CC1 ZINC000071830531 396118124 /nfs/dbraw/zinc/11/81/24/396118124.db2.gz IJXGQATWUFBJOP-CQSZACIVSA-N 1 1 308.426 0.735 50 0 DCAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 ZINC000071881899 396122219 /nfs/dbraw/zinc/12/22/19/396122219.db2.gz IOZDNWHMYFULSW-ILXRZTDVSA-N 1 1 322.405 0.925 50 0 DCAAMO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000071907849 396124257 /nfs/dbraw/zinc/12/42/57/396124257.db2.gz XLFOUIVUCCAQQW-CYBMUJFWSA-N 1 1 321.402 0.781 50 0 DCAAMO C[C@@H](CNC(=O)N1CCN(Cc2ccon2)CC1)[N@@H+](C)C1CC1 ZINC000074100659 396157492 /nfs/dbraw/zinc/15/74/92/396157492.db2.gz DOIXCEVBDAXPPR-ZDUSSCGKSA-N 1 1 321.425 0.985 50 0 DCAAMO C[N@H+]1CCC[C@H](CNC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000074161934 396159089 /nfs/dbraw/zinc/15/90/89/396159089.db2.gz 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396254341 /nfs/dbraw/zinc/25/43/41/396254341.db2.gz RYRFODAAEWEMCI-GJZGRUSLSA-N 1 1 318.421 0.819 50 0 DCAAMO CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)no1 ZINC000078891659 396255890 /nfs/dbraw/zinc/25/58/90/396255890.db2.gz NLJZZWYROKRYII-GFCCVEGCSA-N 1 1 309.414 0.787 50 0 DCAAMO CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)no1 ZINC000078891659 396255893 /nfs/dbraw/zinc/25/58/93/396255893.db2.gz NLJZZWYROKRYII-GFCCVEGCSA-N 1 1 309.414 0.787 50 0 DCAAMO COCC[N@H+](C)CC(=O)N1CCC[C@@H](CN2CCCC2=O)C1 ZINC000584889572 396633320 /nfs/dbraw/zinc/63/33/20/396633320.db2.gz YSTKSNYMKHRPRB-AWEZNQCLSA-N 1 1 311.426 0.426 50 0 DCAAMO COCC[N@@H+](C)CC(=O)N1CCC[C@@H](CN2CCCC2=O)C1 ZINC000584889572 396633324 /nfs/dbraw/zinc/63/33/24/396633324.db2.gz YSTKSNYMKHRPRB-AWEZNQCLSA-N 1 1 311.426 0.426 50 0 DCAAMO Cc1nonc1CNC(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000584887772 396633474 /nfs/dbraw/zinc/63/34/74/396633474.db2.gz MKCFMBJAUARPBW-GFCCVEGCSA-N 1 1 308.382 0.885 50 0 DCAAMO C[C@H](C(=O)NCCC1N=NC(=O)N1C)[N@@H+](C)C1CCCCC1 ZINC000584896757 396635897 /nfs/dbraw/zinc/63/58/97/396635897.db2.gz RNUCWQHDOHZQBP-LLVKDONJSA-N 1 1 309.414 0.832 50 0 DCAAMO Cc1n[nH]c(C)c1CCCN(C)C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000584900037 396636361 /nfs/dbraw/zinc/63/63/61/396636361.db2.gz UYWCEYCQZZMLNX-CQSZACIVSA-N 1 1 308.426 0.874 50 0 DCAAMO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000299754249 396714416 /nfs/dbraw/zinc/71/44/16/396714416.db2.gz QFXWUFJWRYLDLK-OLZOCXBDSA-N 1 1 319.409 0.684 50 0 DCAAMO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000299754249 396714418 /nfs/dbraw/zinc/71/44/18/396714418.db2.gz QFXWUFJWRYLDLK-OLZOCXBDSA-N 1 1 319.409 0.684 50 0 DCAAMO CC1=[NH+]N(CC(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000005147990 415132882 /nfs/dbraw/zinc/13/28/82/415132882.db2.gz XZSOWZBRDJQUGU-JTQLQIEISA-N 1 1 318.381 0.847 50 0 DCAAMO CNC(=O)C[N@@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000044975303 415239688 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C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1cc[nH]n1 ZINC000243902133 416330502 /nfs/dbraw/zinc/33/05/02/416330502.db2.gz BGNCMMPHGBVQNR-UHFFFAOYSA-N 1 1 301.350 0.969 50 0 DCAAMO Cc1cc(C)n(CCNc2cc([C@H]3CCOC3)[nH+]c(N)n2)n1 ZINC000426628791 416777012 /nfs/dbraw/zinc/77/70/12/416777012.db2.gz QLNQTEGMDGKNOZ-LBPRGKRZSA-N 1 1 302.382 0.910 50 0 DCAAMO CC1=C(C(=O)N(C)CC[N@@H+](C)C2CC2)[C@@H](C)n2nnnc2N1C ZINC000408522051 276173984 /nfs/dbraw/zinc/17/39/84/276173984.db2.gz CIRLAWNPMXPSRE-LLVKDONJSA-N 1 1 319.413 0.511 50 0 DCAAMO Cc1cnc(N2C[C@]3(C)C[N@@H+](C)C[C@](C)(C2)C3O)nc1N(C)C ZINC000065398592 279017003 /nfs/dbraw/zinc/01/70/03/279017003.db2.gz DIBPQEFVJDEYMN-ZXFUBFMLSA-N 1 1 319.453 0.990 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000044869192 279334187 /nfs/dbraw/zinc/33/41/87/279334187.db2.gz UTEBLFAJAZHTCT-STQMWFEESA-N 1 1 317.455 0.401 50 0 DCAAMO CC[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000299754172 280377808 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CC[N@H+]1C[C@H](NS(=O)(=O)c2ccc3[nH]cnc3c2)[C@@H](OC)C1 ZINC000534651172 334311844 /nfs/dbraw/zinc/31/18/44/334311844.db2.gz FXYACIXQMSFPHO-KBPBESRZSA-N 1 1 324.406 0.560 50 0 DCAAMO O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CCC[N@H+](CCO)C1 ZINC000534662168 334322294 /nfs/dbraw/zinc/32/22/94/334322294.db2.gz KOKRMJNYZJILGU-QMMMGPOBSA-N 1 1 321.303 0.144 50 0 DCAAMO CC[N@H+]1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)[C@@H](OC)C1 ZINC000534662754 334322695 /nfs/dbraw/zinc/32/26/95/334322695.db2.gz BMGVJLTZEHJQOH-GJZGRUSLSA-N 1 1 302.378 0.941 50 0 DCAAMO CC[N@@H+]1C[C@H](NC(=O)Cc2[nH]nc3ccccc32)[C@@H](OC)C1 ZINC000534662754 334322697 /nfs/dbraw/zinc/32/26/97/334322697.db2.gz BMGVJLTZEHJQOH-GJZGRUSLSA-N 1 1 302.378 0.941 50 0 DCAAMO CC[N@H+]1C[C@H](NC(=O)Cc2[nH]nc3ccccc32)[C@@H](OC)C1 ZINC000534662754 334322699 /nfs/dbraw/zinc/32/26/99/334322699.db2.gz BMGVJLTZEHJQOH-GJZGRUSLSA-N 1 1 302.378 0.941 50 0 DCAAMO Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000685940320 548745957 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NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC000952971276 685599719 /nfs/dbraw/zinc/59/97/19/685599719.db2.gz XQXBTBUJBUTISY-DZGCQCFKSA-N 1 1 316.405 0.942 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC000952971276 685599721 /nfs/dbraw/zinc/59/97/21/685599721.db2.gz XQXBTBUJBUTISY-DZGCQCFKSA-N 1 1 316.405 0.942 50 0 DCAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCCNc2cccnc2)C1 ZINC000065433296 685064148 /nfs/dbraw/zinc/06/41/48/685064148.db2.gz JMZRVEILZGYWFC-CZUORRHYSA-N 1 1 303.410 0.151 50 0 DCAAMO COCCC(=O)N1C[C@H]2[C@H](C[N@H+](C)Cc3nc(C)c[nH]3)[C@H]2C1 ZINC000102598972 685114533 /nfs/dbraw/zinc/11/45/33/685114533.db2.gz UFOKAJAWIKXMBR-ZSOGYDGISA-N 1 1 306.410 0.891 50 0 DCAAMO COCCC(=O)N1C[C@H]2[C@H](C[N@@H+](C)Cc3nc(C)c[nH]3)[C@H]2C1 ZINC000102598972 685114536 /nfs/dbraw/zinc/11/45/36/685114536.db2.gz UFOKAJAWIKXMBR-ZSOGYDGISA-N 1 1 306.410 0.891 50 0 DCAAMO COc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N(C)C3=O)cc(OC)c1 ZINC001772700774 1157841105 /nfs/dbraw/zinc/84/11/05/1157841105.db2.gz HHOOJPICJXETIV-KGLIPLIRSA-N 1 1 320.389 0.993 50 0 DCAAMO COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N(C)C3=O)cc(OC)c1 ZINC001772700774 1157841111 /nfs/dbraw/zinc/84/11/11/1157841111.db2.gz HHOOJPICJXETIV-KGLIPLIRSA-N 1 1 320.389 0.993 50 0 DCAAMO COc1ccc(C(=O)N2C[C@H]3COC[C@@H]2C[N@@H+](C)C3)cc1O ZINC001704303830 1179966762 /nfs/dbraw/zinc/96/67/62/1179966762.db2.gz JLZFOIGXCONITE-AAEUAGOBSA-N 1 1 306.362 0.803 50 0 DCAAMO CC(C)c1nccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N(C)C3=O)n1 ZINC001704313074 1179969470 /nfs/dbraw/zinc/96/94/70/1179969470.db2.gz MQSNPPSFWJCINJ-OCCSQVGLSA-N 1 1 304.394 0.889 50 0 DCAAMO CC(C)c1nccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N(C)C3=O)n1 ZINC001704313074 1179969475 /nfs/dbraw/zinc/96/94/75/1179969475.db2.gz MQSNPPSFWJCINJ-OCCSQVGLSA-N 1 1 304.394 0.889 50 0 DCAAMO CCn1ccc(C(=O)N2C[C@H]3COC[C@@H]2C[N@@H+](C)C3)cc1=O ZINC001704312830 1179969909 /nfs/dbraw/zinc/96/99/09/1179969909.db2.gz ZZCNEZCGCNQXSO-JSGCOSHPSA-N 1 1 305.378 0.271 50 0 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395832264 /nfs/dbraw/zinc/83/22/64/395832264.db2.gz VTRZUAGQGCJQHS-CYBMUJFWSA-N 1 1 309.414 0.370 50 0 DCAAMO CN(C)C(=O)CN1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000195572030 395832328 /nfs/dbraw/zinc/83/23/28/395832328.db2.gz OHXVFTFJECSKFY-UHFFFAOYSA-N 1 1 310.486 0.958 50 0 DCAAMO O=C1CCCN1C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1C1CCCCC1 ZINC000225431936 395860219 /nfs/dbraw/zinc/86/02/19/395860219.db2.gz UDGQOHDUCLNXRM-OWCLPIDISA-N 1 1 310.438 0.985 50 0 DCAAMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccc(C)o2)CC1 ZINC000051097861 395844521 /nfs/dbraw/zinc/84/45/21/395844521.db2.gz XCOODQYYXUNVKL-UHFFFAOYSA-N 1 1 322.365 0.238 50 0 DCAAMO CN(Cc1ccco1)C(=O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052215961 395860772 /nfs/dbraw/zinc/86/07/72/395860772.db2.gz OBFFKLZOZATKKK-UHFFFAOYSA-N 1 1 320.393 0.728 50 0 DCAAMO Cc1ccc(O[C@H]2CCCN(C(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000225465982 395860968 /nfs/dbraw/zinc/86/09/68/395860968.db2.gz AVJWJIVRNDRQPF-AWEZNQCLSA-N 1 1 319.409 0.996 50 0 DCAAMO 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/nfs/dbraw/zinc/97/66/61/395976661.db2.gz LLQWGUATSBXYLA-HUUCEWRRSA-N 1 1 321.421 0.954 50 0 DCAAMO CCc1ncc2c(n1)C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000247604761 395976662 /nfs/dbraw/zinc/97/66/62/395976662.db2.gz LLQWGUATSBXYLA-HUUCEWRRSA-N 1 1 321.421 0.954 50 0 DCAAMO CC[NH+]1CCN(Cc2cc(C(=O)N[C@H](CO)C(C)C)no2)CC1 ZINC000067772886 396033044 /nfs/dbraw/zinc/03/30/44/396033044.db2.gz OTZIZRLNDSMKBV-OAHLLOKOSA-N 1 1 324.425 0.559 50 0 DCAAMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000067863802 396037058 /nfs/dbraw/zinc/03/70/58/396037058.db2.gz XVIQIBLDEVOMRI-ZBEGNZNMSA-N 1 1 320.393 0.060 50 0 DCAAMO O=C(c1onc2ccccc21)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067879978 396037824 /nfs/dbraw/zinc/03/78/24/396037824.db2.gz XHSIBAYKDSQFRY-UHFFFAOYSA-N 1 1 314.345 0.522 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN(Cc3nccn3C)C[C@H]2C)CC1 ZINC000257365988 396047073 /nfs/dbraw/zinc/04/70/73/396047073.db2.gz FGNAURCBEZQFSG-GDBMZVCRSA-N 1 1 319.453 0.795 50 0 DCAAMO COC(=O)c1ncsc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000252507495 396021617 /nfs/dbraw/zinc/02/16/17/396021617.db2.gz WNBNAAQMIMWFKT-MRVPVSSYSA-N 1 1 319.408 0.208 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000069664895 396086070 /nfs/dbraw/zinc/08/60/70/396086070.db2.gz SMNAROHSJSFFCY-GFCCVEGCSA-N 1 1 302.378 0.630 50 0 DCAAMO C[C@H](O)CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000069742766 396089292 /nfs/dbraw/zinc/08/92/92/396089292.db2.gz SKFRMLXYYQTXGR-GOEBONIOSA-N 1 1 305.422 0.814 50 0 DCAAMO C[C@@H](O)CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000069742767 396089648 /nfs/dbraw/zinc/08/96/48/396089648.db2.gz SKFRMLXYYQTXGR-GDBMZVCRSA-N 1 1 305.422 0.814 50 0 DCAAMO CC[C@H]1CN(C(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)CCO1 ZINC000069841456 396092216 /nfs/dbraw/zinc/09/22/16/396092216.db2.gz ZUHQHHIITZRSGN-GJZGRUSLSA-N 1 1 321.425 0.628 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)CCNc2ncccn2)CC1 ZINC000069969656 396096333 /nfs/dbraw/zinc/09/63/33/396096333.db2.gz 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COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000078789497 396254208 /nfs/dbraw/zinc/25/42/08/396254208.db2.gz DKKCRAVFAZQSIE-ZIAGYGMSSA-N 1 1 305.378 0.761 50 0 DCAAMO O=C(CC[N@@H+]1CCOC[C@@H](CO)C1)N1CCc2ccccc2C1 ZINC000077470250 396223402 /nfs/dbraw/zinc/22/34/02/396223402.db2.gz IRPIDTBMVPNXNV-OAHLLOKOSA-N 1 1 318.417 0.902 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000077517229 396225139 /nfs/dbraw/zinc/22/51/39/396225139.db2.gz JPIMKDXJQCGSGV-AWEZNQCLSA-N 1 1 305.426 0.753 50 0 DCAAMO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000133947543 158323092 /nfs/dbraw/zinc/32/30/92/158323092.db2.gz VSWMBSIKHXFDCH-LBPRGKRZSA-N 1 1 318.402 0.934 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000069899360 287093169 /nfs/dbraw/zinc/09/31/69/287093169.db2.gz AWKBUITWWKKJDP-KGLIPLIRSA-N 1 1 323.437 0.303 50 0 DCAAMO CCOc1ccc(OCCNC(=O)C[N@@H+](C)C[C@@H](C)O)cc1 ZINC000131273499 196156264 /nfs/dbraw/zinc/15/62/64/196156264.db2.gz 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COCC[N@@H+](C)C[C@@H]1CN(c2nc(C)cc(C)n2)C[C@@H]1CO ZINC000091574684 415535538 /nfs/dbraw/zinc/53/55/38/415535538.db2.gz IXGGNJBRNXFYDM-HUUCEWRRSA-N 1 1 308.426 0.716 50 0 DCAAMO COCC[N@H+](C)CC(=O)N1CCC2(CC1)OCCC[C@@H]2O ZINC000092028062 415539128 /nfs/dbraw/zinc/53/91/28/415539128.db2.gz GVQUVIUPWDNMPX-ZDUSSCGKSA-N 1 1 300.399 0.097 50 0 DCAAMO COCC[N@@H+](C)CC(=O)N1CCC2(CC1)OCCC[C@@H]2O ZINC000092028062 415539133 /nfs/dbraw/zinc/53/91/33/415539133.db2.gz GVQUVIUPWDNMPX-ZDUSSCGKSA-N 1 1 300.399 0.097 50 0 DCAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095098726 415548136 /nfs/dbraw/zinc/54/81/36/415548136.db2.gz IACWJRHJSMKDEU-AOOOYVTPSA-N 1 1 305.382 0.438 50 0 DCAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095098726 415548142 /nfs/dbraw/zinc/54/81/42/415548142.db2.gz IACWJRHJSMKDEU-AOOOYVTPSA-N 1 1 305.382 0.438 50 0 DCAAMO Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)o1 ZINC000095385331 415558169 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CCOc1ccc(C[N@H+]2CCN(CC(N)=O)C[C@H]2CCO)cc1 ZINC000107011442 415657135 /nfs/dbraw/zinc/65/71/35/415657135.db2.gz AQCMNXAWGDGBEE-OAHLLOKOSA-N 1 1 321.421 0.439 50 0 DCAAMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)o1 ZINC000107354091 415666793 /nfs/dbraw/zinc/66/67/93/415666793.db2.gz VYVUGDXFJYNVGB-LSDHHAIUSA-N 1 1 319.409 0.747 50 0 DCAAMO c1nn2cccnc2c1C[N@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299772614 416065633 /nfs/dbraw/zinc/06/56/33/416065633.db2.gz AFFDZPOVIDWILO-KBPBESRZSA-N 1 1 311.349 0.667 50 0 DCAAMO Nc1cc(N2CCn3nc(CNc4cnccn4)cc3C2)nc[nH+]1 ZINC000299784540 416066717 /nfs/dbraw/zinc/06/67/17/416066717.db2.gz IEMHHFVXNWYBOQ-UHFFFAOYSA-N 1 1 323.364 0.678 50 0 DCAAMO Cc1cc(F)ccc1C(=O)N1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1 ZINC000299776054 416066840 /nfs/dbraw/zinc/06/68/40/416066840.db2.gz MZIHHPBQVUGJBP-HOTGVXAUSA-N 1 1 321.396 0.567 50 0 DCAAMO Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CCO2)c1 ZINC000253431530 416334699 /nfs/dbraw/zinc/33/46/99/416334699.db2.gz 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ZINC000241739076 416330520 /nfs/dbraw/zinc/33/05/20/416330520.db2.gz QZTKECFGRSZEQT-KBPBESRZSA-N 1 1 303.410 0.856 50 0 DCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000241739076 416330521 /nfs/dbraw/zinc/33/05/21/416330521.db2.gz QZTKECFGRSZEQT-KBPBESRZSA-N 1 1 303.410 0.856 50 0 DCAAMO Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000583651701 416482560 /nfs/dbraw/zinc/48/25/60/416482560.db2.gz RJHCANKQWNUPNM-ZDUSSCGKSA-N 1 1 312.439 0.752 50 0 DCAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000585117644 416517622 /nfs/dbraw/zinc/51/76/22/416517622.db2.gz PXGZECAJEAASNR-MRVPVSSYSA-N 1 1 324.182 0.799 50 0 DCAAMO Cn1ccnc1SCCNc1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426489299 416772547 /nfs/dbraw/zinc/77/25/47/416772547.db2.gz BWBHKFFITWHIAI-JTQLQIEISA-N 1 1 320.422 0.922 50 0 DCAAMO O[C@H](C[N@@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1)C(F)(F)F ZINC000408523378 417166210 /nfs/dbraw/zinc/16/62/10/417166210.db2.gz JRLWNUBKZFLNMG-NXEZZACHSA-N 1 1 315.299 1.139 50 0 DCAAMO O[C@H](C[N@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1)C(F)(F)F ZINC000408523378 417166216 /nfs/dbraw/zinc/16/62/16/417166216.db2.gz JRLWNUBKZFLNMG-NXEZZACHSA-N 1 1 315.299 1.139 50 0 DCAAMO CCCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3C)n(C)c1=O ZINC000010386993 273606719 /nfs/dbraw/zinc/60/67/19/273606719.db2.gz JUFFUSNBRNGFQM-UHFFFAOYSA-N 1 1 304.354 0.523 50 0 DCAAMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000043122446 303250312 /nfs/dbraw/zinc/25/03/12/303250312.db2.gz RWSMDMLYBVGDIQ-HUUCEWRRSA-N 1 1 319.380 0.995 50 0 DCAAMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 ZINC000534631761 334307438 /nfs/dbraw/zinc/30/74/38/334307438.db2.gz AIUSMSJRZMAUQE-VIFPVBQESA-N 1 1 311.363 0.114 50 0 DCAAMO O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@@H]1CCC[N@H+](CCO)C1 ZINC000534662162 334322222 /nfs/dbraw/zinc/32/22/22/334322222.db2.gz KOKRMJNYZJILGU-MRVPVSSYSA-N 1 1 321.303 0.144 50 0 DCAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000084281154 545701051 /nfs/dbraw/zinc/70/10/51/545701051.db2.gz WMTVPLRXZDWKPT-KGLIPLIRSA-N 1 1 308.382 0.980 50 0 DCAAMO O=C(NCCNc1ncccn1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229190258 545947196 /nfs/dbraw/zinc/94/71/96/545947196.db2.gz QIFFUTJUNREIHS-OLZOCXBDSA-N 1 1 304.398 0.815 50 0 DCAAMO CN(C)C(=O)CN1CC[C@@H]([N@@H+](C)CC2(C)COC2)CCC1=O ZINC000670450615 547096759 /nfs/dbraw/zinc/09/67/59/547096759.db2.gz LGNDXQIGTDZZNF-ZDUSSCGKSA-N 1 1 311.426 0.424 50 0 DCAAMO CCCc1nc(N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)no1 ZINC000670470017 547100283 /nfs/dbraw/zinc/10/02/83/547100283.db2.gz OQPQXSKBKBWARF-UHFFFAOYSA-N 1 1 307.398 0.813 50 0 DCAAMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cnn(C)c1N)C2 ZINC000685942758 548747637 /nfs/dbraw/zinc/74/76/37/548747637.db2.gz VEHAIEBQHGKGBC-NFFDBFGFSA-N 1 1 321.425 0.212 50 0 DCAAMO C[C@H](C(=O)NCC1(CN2CC[NH+](C)CC2)CC1)n1ccnc1 ZINC000426412421 661580726 /nfs/dbraw/zinc/58/07/26/661580726.db2.gz RECGPQWLZJUFIH-CQSZACIVSA-N 1 1 305.426 0.588 50 0 DCAAMO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCSCC3)C2)cc1 ZINC000011950981 666278074 /nfs/dbraw/zinc/27/80/74/666278074.db2.gz FXQAFNLVQXRVCB-GJZGRUSLSA-N 1 1 322.430 0.929 50 0 DCAAMO CNS(=O)(=O)CCNC(=O)[C@@H](c1ccccc1C)[NH+](C)C ZINC000952981667 685600942 /nfs/dbraw/zinc/60/09/42/685600942.db2.gz OMCFYZDZELRYMP-CYBMUJFWSA-N 1 1 313.423 0.263 50 0 DCAAMO COCC[N@H+]1CC[C@@H](CN(C)Cc2c(CO)cnc(C)c2O)C1 ZINC000952984713 685601874 /nfs/dbraw/zinc/60/18/74/685601874.db2.gz YZNDHOLUFGYZBM-AWEZNQCLSA-N 1 1 323.437 0.988 50 0 DCAAMO Cc1nc2c(c(C)n1)C[C@@H](C[N@@H+]1C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C1)O2 ZINC000072125687 685073567 /nfs/dbraw/zinc/07/35/67/685073567.db2.gz HYKPRBCHTSSBSA-AKIOZOGOSA-N 1 1 319.405 0.461 50 0 DCAAMO C[N@H+]1C[C@H]2COC[C@@H]1CN(C(=O)Cc1[nH]nc3ccccc31)C2 ZINC001704324683 1179972287 /nfs/dbraw/zinc/97/22/87/1179972287.db2.gz CSVDKNQLSQBOPP-OLZOCXBDSA-N 1 1 314.389 0.894 50 0 DCAAMO C[N@@H+](CC(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1)C1CCCC1 ZINC001704355983 1179984175 /nfs/dbraw/zinc/98/41/75/1179984175.db2.gz UZNMAWKWHHSWLR-CZUORRHYSA-N 1 1 318.421 0.713 50 0 DCAAMO Cc1cc(C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2O)[nH]n1 ZINC001704355623 1179984415 /nfs/dbraw/zinc/98/44/15/1179984415.db2.gz UNTZSGFDPDBOHX-OCCSQVGLSA-N 1 1 303.366 0.285 50 0 DCAAMO Cc1[nH+]cn(CCNC(=O)c2[nH]nc3c2CN(C)CC3)c1C ZINC000823806813 758269082 /nfs/dbraw/zinc/26/90/82/758269082.db2.gz SZGCSHXSIIDGSO-UHFFFAOYSA-N 1 1 302.382 0.641 50 0 DCAAMO Cc1cnc(C)nc1N1CC[N@@H+](CCC[NH3+])C[C@@H](C(=O)[O-])C1 ZINC000827369464 758860680 /nfs/dbraw/zinc/86/06/80/758860680.db2.gz VYZDXYYNERNZTO-CYBMUJFWSA-N 1 1 307.398 0.265 50 0 DCAAMO CN(C)S(=O)(=O)C[C@@H]1C[N@H+](C2Cc3ccccc3C2)C[C@@H]1O ZINC001529159125 1014509514 /nfs/dbraw/zinc/50/95/14/1014509514.db2.gz OQRRELXJKSPJDP-HOCLYGCPSA-N 1 1 324.446 0.338 50 0 DCAAMO CC(C)[N@H+]1CCCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 ZINC001529168054 1014511911 /nfs/dbraw/zinc/51/19/11/1014511911.db2.gz WNJGBWHDVCTQQH-AWEZNQCLSA-N 1 1 305.426 0.968 50 0 DCAAMO COc1ncc(C[N@H+]2C[C@@H](Cc3ccccn3)[C@H](O)C2)cn1 ZINC001529174956 1014513705 /nfs/dbraw/zinc/51/37/05/1014513705.db2.gz ZTSADYXCSMZKIJ-UKRRQHHQSA-N 1 1 300.362 0.916 50 0 DCAAMO COc1ncc(C[N@@H+]2C[C@@H](Cc3ccccn3)[C@H](O)C2)cn1 ZINC001529174956 1014513710 /nfs/dbraw/zinc/51/37/10/1014513710.db2.gz ZTSADYXCSMZKIJ-UKRRQHHQSA-N 1 1 300.362 0.916 50 0 DCAAMO CN(Cc1noc(C2CC2)n1)c1nc(N2CC[C@H](O)C2)cc[nH+]1 ZINC001506412353 1017260866 /nfs/dbraw/zinc/26/08/66/1017260866.db2.gz COCREFXOLOJBMA-NSHDSACASA-N 1 1 316.365 0.944 50 0 DCAAMO Cn1ccnc1-c1ccc(NC[C@@H]2C[N@@H+](C)CCN2C)nn1 ZINC001506417779 1017262639 /nfs/dbraw/zinc/26/26/39/1017262639.db2.gz LDMZJMQXSBFDPZ-GFCCVEGCSA-N 1 1 301.398 0.535 50 0 DCAAMO C[N@H+]1CCCN(c2cnn(Cc3nccs3)c(=O)c2)CC1 ZINC000095511619 185376017 /nfs/dbraw/zinc/37/60/17/185376017.db2.gz IYBMGELHXGSFSS-UHFFFAOYSA-N 1 1 305.407 0.890 50 0 DCAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000057222135 282200984 /nfs/dbraw/zinc/20/09/84/282200984.db2.gz LUKZWUYNWNJUEG-LLVKDONJSA-N 1 1 320.374 0.949 50 0 DCAAMO COc1ccc2n[nH]c(C[N@H+]3CC[C@@]4(CC(=O)NC4=O)C3)c2c1 ZINC000082097010 192354864 /nfs/dbraw/zinc/35/48/64/192354864.db2.gz PFCDKWYZNVUPIU-MRXNPFEDSA-N 1 1 314.345 0.810 50 0 DCAAMO COc1ccc2[nH]nc(C[N@@H+]3CC[C@@]4(CC(=O)NC4=O)C3)c2c1 ZINC000082097010 192354866 /nfs/dbraw/zinc/35/48/66/192354866.db2.gz PFCDKWYZNVUPIU-MRXNPFEDSA-N 1 1 314.345 0.810 50 0 DCAAMO COc1ccc2[nH]nc(C[N@H+]3CC[C@@]4(CC(=O)NC4=O)C3)c2c1 ZINC000082097010 192354869 /nfs/dbraw/zinc/35/48/69/192354869.db2.gz PFCDKWYZNVUPIU-MRXNPFEDSA-N 1 1 314.345 0.810 50 0 DCAAMO CNS(=O)(=O)CCC[N@@H+](C)[C@@H](CO)c1cccc(F)c1 ZINC000095395049 185352435 /nfs/dbraw/zinc/35/24/35/185352435.db2.gz PJJMFKVVZIWIAK-ZDUSSCGKSA-N 1 1 304.387 0.730 50 0 DCAAMO Cc1nnnn1CCC[N@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000072145282 191050789 /nfs/dbraw/zinc/05/07/89/191050789.db2.gz GKXQRLQBKPQNDI-MRXNPFEDSA-N 1 1 322.457 0.948 50 0 DCAAMO Cc1cc(C(F)(F)F)nn1CCNC[C@]1(O)CCC[NH2+]C1 ZINC000072428703 191161281 /nfs/dbraw/zinc/16/12/81/191161281.db2.gz RYMKJWZPSQUDTE-LBPRGKRZSA-N 1 1 306.332 0.914 50 0 DCAAMO COc1ccc([C@@H](CNS(C)(=O)=O)[NH+](C)C)cc1OC ZINC000006086179 181311537 /nfs/dbraw/zinc/31/15/37/181311537.db2.gz YQHNEULDFJZDAQ-LLVKDONJSA-N 1 1 302.396 0.856 50 0 DCAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)on1 ZINC000091444484 193056269 /nfs/dbraw/zinc/05/62/69/193056269.db2.gz HHWYQZHFCBZYBE-ZIAGYGMSSA-N 1 1 324.425 0.157 50 0 DCAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)on1 ZINC000091444484 193056270 /nfs/dbraw/zinc/05/62/70/193056270.db2.gz HHWYQZHFCBZYBE-ZIAGYGMSSA-N 1 1 324.425 0.157 50 0 DCAAMO COc1cnc(N2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000091593799 193076952 /nfs/dbraw/zinc/07/69/52/193076952.db2.gz MNRHGZMXQUYSTB-ZIAGYGMSSA-N 1 1 322.409 0.252 50 0 DCAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(C)c[nH]2)C[C@@H]1CO ZINC000092062483 193151106 /nfs/dbraw/zinc/15/11/06/193151106.db2.gz RVJQROXUTGZAFW-ZIAGYGMSSA-N 1 1 309.410 0.582 50 0 DCAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1CO ZINC000092077220 193154024 /nfs/dbraw/zinc/15/40/24/193154024.db2.gz FGTKHYSTANWRJT-ZIAGYGMSSA-N 1 1 324.396 0.820 50 0 DCAAMO CC[NH+]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000018219757 182099696 /nfs/dbraw/zinc/09/96/96/182099696.db2.gz RHCRDTXFPKAQMJ-UHFFFAOYSA-N 1 1 311.407 0.836 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cccc(F)c1 ZINC000019782372 182148576 /nfs/dbraw/zinc/14/85/76/182148576.db2.gz DCRGSSKVUCQFQT-UHFFFAOYSA-N 1 1 309.341 0.603 50 0 DCAAMO CC(C)[N@@H+](C)CC(=O)N1CCC(Cn2cc([C@@H](C)O)nn2)CC1 ZINC000039499970 183019703 /nfs/dbraw/zinc/01/97/03/183019703.db2.gz UDOWPLYBSJYNBU-CYBMUJFWSA-N 1 1 323.441 0.910 50 0 DCAAMO O=C(NCc1ccco1)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000040490217 183079799 /nfs/dbraw/zinc/07/97/99/183079799.db2.gz OPODGMPMPLKBQK-UKRRQHHQSA-N 1 1 323.393 0.816 50 0 DCAAMO C[C@@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@H](C)CO1 ZINC000040501498 183083555 /nfs/dbraw/zinc/08/35/55/183083555.db2.gz 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395760980 /nfs/dbraw/zinc/76/09/80/395760980.db2.gz CUCLWVLHWSJLQE-HOTGVXAUSA-N 1 1 315.421 0.355 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000048303814 395813440 /nfs/dbraw/zinc/81/34/40/395813440.db2.gz SWPURSLAKUHJLA-GFCCVEGCSA-N 1 1 302.382 0.955 50 0 DCAAMO CCOCCn1nc(C)cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000221204755 395850368 /nfs/dbraw/zinc/85/03/68/395850368.db2.gz RGWVKUOEQVPFKS-CQSZACIVSA-N 1 1 323.441 0.204 50 0 DCAAMO CCc1[nH+]ccn1CCNC(=O)Cn1c(C)cc(C)nc1=O ZINC000223149712 395854284 /nfs/dbraw/zinc/85/42/84/395854284.db2.gz VLJXDDLKZMWKTR-UHFFFAOYSA-N 1 1 303.366 0.435 50 0 DCAAMO Nc1nc(NCCSc2cn[nH]n2)cc(C2CC([NH3+])C2)n1 ZINC000223709270 395856502 /nfs/dbraw/zinc/85/65/02/395856502.db2.gz OASGLTCYYDUTQB-UHFFFAOYSA-N 1 1 306.399 0.586 50 0 DCAAMO CC(C)CO[C@H](C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229794536 395876347 /nfs/dbraw/zinc/87/63/47/395876347.db2.gz DODXLEWPTBIEOH-ZIAGYGMSSA-N 1 1 313.442 0.751 50 0 DCAAMO 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/nfs/dbraw/zinc/02/71/45/396027145.db2.gz NAILSRLJYWOAHS-DZGCQCFKSA-N 1 1 306.410 0.702 50 0 DCAAMO Cc1ccc(O)c(C(=O)NC[C@H]2CCC[N@H+](C(CO)CO)C2)c1 ZINC000067589069 396028465 /nfs/dbraw/zinc/02/84/65/396028465.db2.gz HQNBMJNVBPHIFE-CYBMUJFWSA-N 1 1 322.405 0.496 50 0 DCAAMO C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1c1ccccc1 ZINC000253429236 396029029 /nfs/dbraw/zinc/02/90/29/396029029.db2.gz CFAJEATXCGMQMR-WMLDXEAASA-N 1 1 317.389 0.407 50 0 DCAAMO CC(C)c1ncc(C(=O)NCC[N@H+]2CCC[C@H](CO)C2)c(=O)[nH]1 ZINC000253536700 396030380 /nfs/dbraw/zinc/03/03/80/396030380.db2.gz LHIUYPUUFOWKSS-LBPRGKRZSA-N 1 1 322.409 0.740 50 0 DCAAMO O=C(N[C@@H]1C[N@@H+](C2CCSCC2)C[C@H]1CO)c1cnccn1 ZINC000257186923 396035438 /nfs/dbraw/zinc/03/54/38/396035438.db2.gz KYWGOINKLRHSSB-SMDDNHRTSA-N 1 1 322.434 0.395 50 0 DCAAMO Cn1nc(C(N)=O)c2c1CC[N@H+](C[C@H](O)c1ccccc1)C2 ZINC000252487709 396020767 /nfs/dbraw/zinc/02/07/67/396020767.db2.gz IAILTLIFDLRUPS-AWEZNQCLSA-N 1 1 300.362 0.611 50 0 DCAAMO 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0.628 50 0 DCAAMO COc1ccc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(OC)c1 ZINC000169756840 396091149 /nfs/dbraw/zinc/09/11/49/396091149.db2.gz GLWLHHBJJQMVCR-BETUJISGSA-N 1 1 304.346 0.750 50 0 DCAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000069814072 396091256 /nfs/dbraw/zinc/09/12/56/396091256.db2.gz RIADGQZZGDRQSU-CYBMUJFWSA-N 1 1 315.443 0.272 50 0 DCAAMO COCC[NH+]1CCN(CC(=O)NCc2ccc(C)s2)CC1 ZINC000069840365 396091865 /nfs/dbraw/zinc/09/18/65/396091865.db2.gz PMFWUCVQRDKICO-UHFFFAOYSA-N 1 1 311.451 0.937 50 0 DCAAMO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)cn1 ZINC000069877004 396093974 /nfs/dbraw/zinc/09/39/74/396093974.db2.gz BJZRYEAPUAHGDZ-CYBMUJFWSA-N 1 1 303.366 0.155 50 0 DCAAMO Cn1cc([C@H]2CCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)cn1 ZINC000069877004 396093976 /nfs/dbraw/zinc/09/39/76/396093976.db2.gz BJZRYEAPUAHGDZ-CYBMUJFWSA-N 1 1 303.366 0.155 50 0 DCAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000069971404 396097565 /nfs/dbraw/zinc/09/75/65/396097565.db2.gz VSFIWJDRZYCGAX-OAHLLOKOSA-N 1 1 319.409 0.248 50 0 DCAAMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000069971404 396097569 /nfs/dbraw/zinc/09/75/69/396097569.db2.gz VSFIWJDRZYCGAX-OAHLLOKOSA-N 1 1 319.409 0.248 50 0 DCAAMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071877023 396121788 /nfs/dbraw/zinc/12/17/88/396121788.db2.gz FVJUPHLRWSUWDD-PMPSAXMXSA-N 1 1 324.425 0.689 50 0 DCAAMO O=C(C[N@@H+]1CCCC[C@@H]1Cn1cncn1)NCc1ccccn1 ZINC000071876442 396121831 /nfs/dbraw/zinc/12/18/31/396121831.db2.gz WFBYWDMBSNXJJI-OAHLLOKOSA-N 1 1 314.393 0.844 50 0 DCAAMO O=C(C[N@H+]1CCCC[C@@H]1Cn1cncn1)NCc1ccccn1 ZINC000071876442 396121834 /nfs/dbraw/zinc/12/18/34/396121834.db2.gz WFBYWDMBSNXJJI-OAHLLOKOSA-N 1 1 314.393 0.844 50 0 DCAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000071880583 396122230 /nfs/dbraw/zinc/12/22/30/396122230.db2.gz LAJLSZKREBSRQK-HOTGVXAUSA-N 1 1 323.437 0.711 50 0 DCAAMO CC(C)COC[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000071897752 396124272 /nfs/dbraw/zinc/12/42/72/396124272.db2.gz KGMCOPBFPGSCQL-ZIAGYGMSSA-N 1 1 300.447 0.593 50 0 DCAAMO CC[C@@H](C)NC(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000071916182 396125167 /nfs/dbraw/zinc/12/51/67/396125167.db2.gz VNIRKLOUEDITIZ-CYBMUJFWSA-N 1 1 320.441 0.579 50 0 DCAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCCO2)CC1 ZINC000071920296 396125247 /nfs/dbraw/zinc/12/52/47/396125247.db2.gz HSPFMSDZQGOZIA-GJZGRUSLSA-N 1 1 312.458 0.738 50 0 DCAAMO C[C@](O)(CNC(=O)c1cccc2c1OCO2)C[NH+]1CCOCC1 ZINC000072306608 396130651 /nfs/dbraw/zinc/13/06/51/396130651.db2.gz ZWAZHOHZCGHJTD-INIZCTEOSA-N 1 1 322.361 0.228 50 0 DCAAMO CCN1CCN(C2CC[NH+](CC(=O)N3CCCC3)CC2)C1=O ZINC000069493247 396080330 /nfs/dbraw/zinc/08/03/30/396080330.db2.gz JDZXKPNWUBUFCL-UHFFFAOYSA-N 1 1 308.426 0.831 50 0 DCAAMO C[C@H](O)C[NH+]1CCN(Cc2nc(-c3cccnc3)no2)CC1 ZINC000069629951 396085331 /nfs/dbraw/zinc/08/53/31/396085331.db2.gz YIGZQGAYXMXAHD-LBPRGKRZSA-N 1 1 303.366 0.630 50 0 DCAAMO COCC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2)C1 ZINC000078602879 396249230 /nfs/dbraw/zinc/24/92/30/396249230.db2.gz QGGUMWXPKYLTRE-CQSZACIVSA-N 1 1 323.368 0.991 50 0 DCAAMO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000078898646 396257406 /nfs/dbraw/zinc/25/74/06/396257406.db2.gz JTYPYVHDKCWGFE-YPMHNXCESA-N 1 1 300.428 0.868 50 0 DCAAMO C[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000375855953 396833768 /nfs/dbraw/zinc/83/37/68/396833768.db2.gz DMDVOMOFSWVVDX-MNFFZHCASA-N 1 1 323.437 0.611 50 0 DCAAMO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CNCCO2)s1 ZINC000215546192 292098107 /nfs/dbraw/zinc/09/81/07/292098107.db2.gz UCJLEEPRKPFPKW-CQSZACIVSA-N 1 1 311.451 0.935 50 0 DCAAMO NC(=O)CCS(=O)(=O)CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025440503 415163622 /nfs/dbraw/zinc/16/36/22/415163622.db2.gz AVMSVJMLXVECNY-OAHLLOKOSA-N 1 1 324.446 0.984 50 0 DCAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCNC(=O)C2)cc1 ZINC000014043188 415149190 /nfs/dbraw/zinc/14/91/90/415149190.db2.gz RPFGBBVXTWBUBH-OAHLLOKOSA-N 1 1 317.389 0.791 50 0 DCAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCNC(=O)C2)cc1 ZINC000014043188 415149196 /nfs/dbraw/zinc/14/91/96/415149196.db2.gz RPFGBBVXTWBUBH-OAHLLOKOSA-N 1 1 317.389 0.791 50 0 DCAAMO C[C@@H]([N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)C ZINC000027132829 415168604 /nfs/dbraw/zinc/16/86/04/415168604.db2.gz VAWAYJOZRRAJFD-SECBINFHSA-N 1 1 310.398 0.215 50 0 DCAAMO CC(=O)N[C@@H](C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000036309768 415191670 /nfs/dbraw/zinc/19/16/70/415191670.db2.gz BOEVKAIPBACNRS-ZDUSSCGKSA-N 1 1 311.426 0.662 50 0 DCAAMO C[N@@H+]1CCN(C(=O)Cn2cccnc2=O)[C@H](c2ccccc2)C1 ZINC000032941312 415184494 /nfs/dbraw/zinc/18/44/94/415184494.db2.gz QUUPBVUBGKGNMI-HNNXBMFYSA-N 1 1 312.373 0.759 50 0 DCAAMO C[N@H+]1CCN(C(=O)Cn2cccnc2=O)[C@H](c2ccccc2)C1 ZINC000032941312 415184504 /nfs/dbraw/zinc/18/45/04/415184504.db2.gz QUUPBVUBGKGNMI-HNNXBMFYSA-N 1 1 312.373 0.759 50 0 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ZINC000253536571 396030752 /nfs/dbraw/zinc/03/07/52/396030752.db2.gz IEAQOYBVMGMILI-ZDUSSCGKSA-N 1 1 306.410 0.816 50 0 DCAAMO CC(C)(C[N@H+]1CC[C@H](CNC(=O)C(F)F)C1)N1CCOCC1 ZINC000067692692 396031034 /nfs/dbraw/zinc/03/10/34/396031034.db2.gz XFTSJFLSGRRUNN-GFCCVEGCSA-N 1 1 319.396 0.800 50 0 DCAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C1=NNC(=O)CC1 ZINC000067769837 396033512 /nfs/dbraw/zinc/03/35/12/396033512.db2.gz OGMFXJURTQEKKC-GFCCVEGCSA-N 1 1 314.389 0.815 50 0 DCAAMO CNC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@H]1CO ZINC000257185642 396034403 /nfs/dbraw/zinc/03/44/03/396034403.db2.gz JSMZTSXCDQXZCA-SWLSCSKDSA-N 1 1 308.378 0.490 50 0 DCAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1CO)c1cnccn1 ZINC000257188904 396035082 /nfs/dbraw/zinc/03/50/82/396035082.db2.gz NEIWKNLIYXRRLW-SMDDNHRTSA-N 1 1 302.334 0.292 50 0 DCAAMO O=C(N[C@@H]1C[N@H+](Cc2ccco2)C[C@H]1CO)c1cnccn1 ZINC000257188904 396035085 /nfs/dbraw/zinc/03/50/85/396035085.db2.gz NEIWKNLIYXRRLW-SMDDNHRTSA-N 1 1 302.334 0.292 50 0 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CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000076058360 396194776 /nfs/dbraw/zinc/19/47/76/396194776.db2.gz QHLODQSUAKNYLR-GXFFZTMASA-N 1 1 311.407 0.404 50 0 DCAAMO Cn1cc(CC[N@H+]2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)cn1 ZINC000076058822 396195163 /nfs/dbraw/zinc/19/51/63/396195163.db2.gz BCHCLJQDSGPWNI-BBRMVZONSA-N 1 1 319.409 0.615 50 0 DCAAMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCOC)C2)cn1 ZINC000078532897 396247589 /nfs/dbraw/zinc/24/75/89/396247589.db2.gz VKEXDVXMRNFZDZ-GFCCVEGCSA-N 1 1 316.427 0.292 50 0 DCAAMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)cn1 ZINC000078532897 396247591 /nfs/dbraw/zinc/24/75/91/396247591.db2.gz VKEXDVXMRNFZDZ-GFCCVEGCSA-N 1 1 316.427 0.292 50 0 DCAAMO O[C@@]1(C[NH+]2CCC(Oc3cccnc3)CC2)CNCCOC1 ZINC000077338213 396219503 /nfs/dbraw/zinc/21/95/03/396219503.db2.gz JHUDQUBQCDNQGO-MRXNPFEDSA-N 1 1 307.394 0.276 50 0 DCAAMO CSCCC[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC000077521550 396225028 /nfs/dbraw/zinc/22/50/28/396225028.db2.gz 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396636450 /nfs/dbraw/zinc/63/64/50/396636450.db2.gz LWNFRZFMKPDINJ-INIZCTEOSA-N 1 1 303.406 0.969 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)C[C@H]2C)CC1 ZINC000299754159 396714470 /nfs/dbraw/zinc/71/44/70/396714470.db2.gz IOTZDPAQXYFIAN-RRCSTGOVSA-N 1 1 323.437 0.565 50 0 DCAAMO C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000375855952 396834132 /nfs/dbraw/zinc/83/41/32/396834132.db2.gz DMDVOMOFSWVVDX-LUGNKYPNSA-N 1 1 323.437 0.611 50 0 DCAAMO O=C(CN1CC(=O)NC1=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172415506 158393962 /nfs/dbraw/zinc/39/39/62/158393962.db2.gz HJFBMIWAJHSVAR-UHFFFAOYSA-N 1 1 308.382 0.015 50 0 DCAAMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)N1CCNC(=O)C1 ZINC000025359667 415160901 /nfs/dbraw/zinc/16/09/01/415160901.db2.gz XPTPXLLHQQSTAF-OAHLLOKOSA-N 1 1 301.390 0.652 50 0 DCAAMO C[C@@H](CN1CCOCC1)NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000044949295 415239926 /nfs/dbraw/zinc/23/99/26/415239926.db2.gz CBLDOLYUEWSAHL-KBPBESRZSA-N 1 1 324.425 0.902 50 0 DCAAMO Cc1nn(C(C)C)c2cnn(CC(=O)N3CC[NH+](C)CC3)c12 ZINC000046087545 415254493 /nfs/dbraw/zinc/25/44/93/415254493.db2.gz HBHREKYBPWCEKZ-UHFFFAOYSA-N 1 1 304.398 0.896 50 0 DCAAMO CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000046166510 415256167 /nfs/dbraw/zinc/25/61/67/415256167.db2.gz AVDISBZDQFBSTB-CABCVRRESA-N 1 1 301.390 0.980 50 0 DCAAMO CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000046166510 415256171 /nfs/dbraw/zinc/25/61/71/415256171.db2.gz AVDISBZDQFBSTB-CABCVRRESA-N 1 1 301.390 0.980 50 0 DCAAMO C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)N(C)CC2CC2)CC1 ZINC000332181680 415281360 /nfs/dbraw/zinc/28/13/60/415281360.db2.gz WRZGGBDOQFZPNZ-GFCCVEGCSA-N 1 1 319.471 0.350 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000044894749 415227631 /nfs/dbraw/zinc/22/76/31/415227631.db2.gz DLYDREVYWJYGTP-CYBMUJFWSA-N 1 1 317.455 0.259 50 0 DCAAMO Cc1csc(CNC(=O)NC2CC[NH+](CC(N)=O)CC2)n1 ZINC000048302062 415292009 /nfs/dbraw/zinc/29/20/09/415292009.db2.gz LUOAJIKUYXICNL-UHFFFAOYSA-N 1 1 311.411 0.200 50 0 DCAAMO CCCC(=O)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072437319 415415867 /nfs/dbraw/zinc/41/58/67/415415867.db2.gz OUNJBAWDAOXCFP-UHFFFAOYSA-N 1 1 319.409 0.762 50 0 DCAAMO CC[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735923 415499997 /nfs/dbraw/zinc/49/99/97/415499997.db2.gz PLAQNNJGVCEGRN-CABCVRRESA-N 1 1 306.410 0.761 50 0 DCAAMO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000075200456 415442746 /nfs/dbraw/zinc/44/27/46/415442746.db2.gz LDRVMZGPYUMUHP-ZDUSSCGKSA-N 1 1 302.440 0.802 50 0 DCAAMO CC[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735847 415502424 /nfs/dbraw/zinc/50/24/24/415502424.db2.gz PHRFGOHVRPEDBY-KGLIPLIRSA-N 1 1 307.398 0.237 50 0 DCAAMO Cc1cc(C)n2c(nnc2C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)n1 ZINC000077454426 415460742 /nfs/dbraw/zinc/46/07/42/415460742.db2.gz HWTIFUSRDBOWAX-NWDGAFQWSA-N 1 1 300.366 0.517 50 0 DCAAMO CNC(=O)c1noc(CNC(=O)CC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000095354311 415553040 /nfs/dbraw/zinc/55/30/40/415553040.db2.gz YCWALJVYQARNCV-JTQLQIEISA-N 1 1 309.370 0.167 50 0 DCAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCCc2cc(=O)[nH]c(C)n2)C1 ZINC000095363460 415553455 /nfs/dbraw/zinc/55/34/55/415553455.db2.gz VYIMZCUBASSPET-MRXNPFEDSA-N 1 1 306.410 0.859 50 0 DCAAMO CN(C)c1nccnc1N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000095380783 415557164 /nfs/dbraw/zinc/55/71/64/415557164.db2.gz YIPVHNIGDSDQPG-CQSZACIVSA-N 1 1 305.426 0.968 50 0 DCAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCN1CCOC1=O ZINC000095388145 415558135 /nfs/dbraw/zinc/55/81/35/415558135.db2.gz ORBNSTSMJGJZLF-AWEZNQCLSA-N 1 1 303.362 0.612 50 0 DCAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCN1CCOC1=O ZINC000095388145 415558141 /nfs/dbraw/zinc/55/81/41/415558141.db2.gz ORBNSTSMJGJZLF-AWEZNQCLSA-N 1 1 303.362 0.612 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)Cn2cccn2)C1 ZINC000107573675 415667984 /nfs/dbraw/zinc/66/79/84/415667984.db2.gz MITDBDPRNMGZKN-HUUCEWRRSA-N 1 1 323.441 0.928 50 0 DCAAMO 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50 0 DCAAMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000038718083 183008185 /nfs/dbraw/zinc/00/81/85/183008185.db2.gz NUCOFNHUCCTZFB-UHFFFAOYSA-N 1 1 316.317 0.675 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cccc(O)c1 ZINC000040284959 183051267 /nfs/dbraw/zinc/05/12/67/183051267.db2.gz QQKAYIRWYCVUFV-UHFFFAOYSA-N 1 1 307.350 0.169 50 0 DCAAMO C[NH+]1CCN(C(=O)CCNC(=O)NCCc2ccccc2)CC1 ZINC000040549240 183100036 /nfs/dbraw/zinc/10/00/36/183100036.db2.gz ZZUMRDTVOBYJMJ-UHFFFAOYSA-N 1 1 318.421 0.692 50 0 DCAAMO O=C(Cn1cnnn1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000041909288 183224216 /nfs/dbraw/zinc/22/42/16/183224216.db2.gz HBMIKFUVTAKVSD-UHFFFAOYSA-N 1 1 300.366 0.408 50 0 DCAAMO O=C(CC[NH2+][C@H]1C=CS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000065409543 184339818 /nfs/dbraw/zinc/33/98/18/184339818.db2.gz PTJHDMHGOHLNOK-HNNXBMFYSA-N 1 1 320.414 0.862 50 0 DCAAMO COc1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](CO)[N@H+](C)C1 ZINC000065395626 184335484 /nfs/dbraw/zinc/33/54/84/184335484.db2.gz GGSWRZCDFWPZGR-MNOVXSKESA-N 1 1 300.380 0.039 50 0 DCAAMO COc1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](CO)[N@@H+](C)C1 ZINC000065395626 184335485 /nfs/dbraw/zinc/33/54/85/184335485.db2.gz GGSWRZCDFWPZGR-MNOVXSKESA-N 1 1 300.380 0.039 50 0 DCAAMO C[C@@H](NC(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccncc1 ZINC000065611058 184373216 /nfs/dbraw/zinc/37/32/16/184373216.db2.gz KLZHUVIDHJQTBK-LLVKDONJSA-N 1 1 305.382 0.392 50 0 DCAAMO CC[C@H]1CN(Cc2nc(CCOC)no2)CC[N@H+]1C[C@H](C)O ZINC000247383723 256607848 /nfs/dbraw/zinc/60/78/48/256607848.db2.gz WGAMWMKEWXIOPE-STQMWFEESA-N 1 1 312.414 0.536 50 0 DCAAMO CSc1ncc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)n1C ZINC000426396372 257252633 /nfs/dbraw/zinc/25/26/33/257252633.db2.gz GHHKLSRJGWIDLD-NSHDSACASA-N 1 1 311.455 0.394 50 0 DCAAMO CNC(=O)c1ccc(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000343375132 257261025 /nfs/dbraw/zinc/26/10/25/257261025.db2.gz UYPQQTOMDBWGDW-LBPRGKRZSA-N 1 1 320.393 0.577 50 0 DCAAMO C[C@H](CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12)[NH+](C)C ZINC000058306362 257270156 /nfs/dbraw/zinc/27/01/56/257270156.db2.gz ZODINWVKBINNMN-SNVBAGLBSA-N 1 1 324.406 0.418 50 0 DCAAMO Cc1cc(NC(=O)CCN2CCO[C@H]3CC[N@H+](C)C[C@H]32)no1 ZINC000284887111 131119629 /nfs/dbraw/zinc/11/96/29/131119629.db2.gz QYQIXKHMOVNMBK-OLZOCXBDSA-N 1 1 308.382 0.717 50 0 DCAAMO CCS(=O)(=O)N1CCC(C[N@H+]2CCN(C)C[C@@H]2C)CC1 ZINC000085468266 395701095 /nfs/dbraw/zinc/70/10/95/395701095.db2.gz NADQQTXIMDLNLZ-ZDUSSCGKSA-N 1 1 303.472 0.684 50 0 DCAAMO CCS(=O)(=O)N1CCC(CN2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000085468266 395701097 /nfs/dbraw/zinc/70/10/97/395701097.db2.gz NADQQTXIMDLNLZ-ZDUSSCGKSA-N 1 1 303.472 0.684 50 0 DCAAMO CCS(=O)(=O)N1CCC(CN2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000085468266 395701099 /nfs/dbraw/zinc/70/10/99/395701099.db2.gz NADQQTXIMDLNLZ-ZDUSSCGKSA-N 1 1 303.472 0.684 50 0 DCAAMO C[N@@H+](CCO)C[C@H]1COCCN1C(=O)Cc1ccc(F)cc1 ZINC000085470020 395701154 /nfs/dbraw/zinc/70/11/54/395701154.db2.gz KWDCCHFVVSSRED-HNNXBMFYSA-N 1 1 310.369 0.520 50 0 DCAAMO O=C(Cn1nnc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000032611344 395711572 /nfs/dbraw/zinc/71/15/72/395711572.db2.gz BZGWEKBAKHTQPF-UHFFFAOYSA-N 1 1 303.366 0.270 50 0 DCAAMO CC(C)[N@@H+](CCNC(=O)N1CCN(C2CC2)C(=O)C1)C1CC1 ZINC000089869571 395716004 /nfs/dbraw/zinc/71/60/04/395716004.db2.gz GPYZHCKWRCFNCB-UHFFFAOYSA-N 1 1 308.426 0.875 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000089930503 395717302 /nfs/dbraw/zinc/71/73/02/395717302.db2.gz WCCWTWTVZRPQAJ-CHWSQXEVSA-N 1 1 308.382 0.014 50 0 DCAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)Nc1cccc2n[nH]nc21 ZINC000096165856 395746570 /nfs/dbraw/zinc/74/65/70/395746570.db2.gz ANYJOQUWGZENKK-LLVKDONJSA-N 1 1 318.381 0.926 50 0 DCAAMO O=C(NCC[N@H+]1CCCC[C@@H]1CO)Nc1cccc2[nH]nnc21 ZINC000096165856 395746572 /nfs/dbraw/zinc/74/65/72/395746572.db2.gz ANYJOQUWGZENKK-LLVKDONJSA-N 1 1 318.381 0.926 50 0 DCAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)Nc1cccc2[nH]nnc21 ZINC000096165856 395746574 /nfs/dbraw/zinc/74/65/74/395746574.db2.gz 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395983979 /nfs/dbraw/zinc/98/39/79/395983979.db2.gz SAPATCDQEBCNPT-VXGBXAGGSA-N 1 1 303.428 0.011 50 0 DCAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000253374208 396026257 /nfs/dbraw/zinc/02/62/57/396026257.db2.gz LNZIKERFRJALBS-ILXRZTDVSA-N 1 1 321.425 0.816 50 0 DCAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCCC[C@H]1Cn1cncn1 ZINC000253374208 396026259 /nfs/dbraw/zinc/02/62/59/396026259.db2.gz LNZIKERFRJALBS-ILXRZTDVSA-N 1 1 321.425 0.816 50 0 DCAAMO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000253416317 396027734 /nfs/dbraw/zinc/02/77/34/396027734.db2.gz ARXBKPGDNQDJKG-NEPJUHHUSA-N 1 1 321.464 0.792 50 0 DCAAMO COC(=O)C[C@H]1CSCC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000253416317 396027736 /nfs/dbraw/zinc/02/77/36/396027736.db2.gz ARXBKPGDNQDJKG-NEPJUHHUSA-N 1 1 321.464 0.792 50 0 DCAAMO Cn1nccc1CC[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000253420722 396027862 /nfs/dbraw/zinc/02/78/62/396027862.db2.gz LDCNAMOKUGSKKX-UHFFFAOYSA-N 1 1 319.453 0.593 50 0 DCAAMO 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/nfs/dbraw/zinc/04/70/90/396047090.db2.gz SZZASPHXKVHGJS-MCIONIFRSA-N 1 1 317.455 0.511 50 0 DCAAMO Cc1ccccc1C[C@@H](C)NC(=O)CN1CC[NH+](CCO)CC1 ZINC000069772122 396090456 /nfs/dbraw/zinc/09/04/56/396090456.db2.gz OYUSOVICLSFAJL-MRXNPFEDSA-N 1 1 319.449 0.652 50 0 DCAAMO CCC(=O)N1CC[NH+]([C@@]2(CC)CCN(C(=O)COC)C2)CC1 ZINC000169752026 396091026 /nfs/dbraw/zinc/09/10/26/396091026.db2.gz CUYRQNFFVABRRZ-INIZCTEOSA-N 1 1 311.426 0.568 50 0 DCAAMO CC(C)OCC[C@H](O)C[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000170606428 396094973 /nfs/dbraw/zinc/09/49/73/396094973.db2.gz RZDIDDQVVGANEC-HNNXBMFYSA-N 1 1 315.458 0.258 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CCN2C(=O)CNC2=O)n1 ZINC000069949716 396096058 /nfs/dbraw/zinc/09/60/58/396096058.db2.gz WMHPMPVJBXNWPV-ZDUSSCGKSA-N 1 1 320.397 0.301 50 0 DCAAMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000070009343 396097494 /nfs/dbraw/zinc/09/74/94/396097494.db2.gz WNFOXZFGTKIXAK-OLZOCXBDSA-N 1 1 324.425 0.684 50 0 DCAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1C(=O)NC(C)(C)C1=O ZINC000071279559 396111790 /nfs/dbraw/zinc/11/17/90/396111790.db2.gz WZTAGKSUQVSEIW-CYBMUJFWSA-N 1 1 305.378 0.810 50 0 DCAAMO O=C(C1CCN(c2ncccn2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000071836657 396117820 /nfs/dbraw/zinc/11/78/20/396117820.db2.gz HGUDGYSSXWSAPO-UHFFFAOYSA-N 1 1 315.421 1.000 50 0 DCAAMO COCCn1nc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1=O ZINC000071839925 396118408 /nfs/dbraw/zinc/11/84/08/396118408.db2.gz JSCQDAYMSSSQPI-ZDUSSCGKSA-N 1 1 320.393 0.200 50 0 DCAAMO CN(C)C(=O)Cc1nc(C[NH2+][C@H]2CCc3ncnn3C2)cs1 ZINC000072267457 396128048 /nfs/dbraw/zinc/12/80/48/396128048.db2.gz GXSOZQMEBAQAJB-JTQLQIEISA-N 1 1 320.422 0.470 50 0 DCAAMO CN(C)c1ncccc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269159 396128175 /nfs/dbraw/zinc/12/81/75/396128175.db2.gz WLWSVVMSARVGGI-LSDHHAIUSA-N 1 1 318.421 0.819 50 0 DCAAMO O[C@@H](COCc1ccco1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000069372050 396076666 /nfs/dbraw/zinc/07/66/66/396076666.db2.gz HJWSRRACEWBEPS-ZBFHGGJFSA-N 1 1 321.377 0.755 50 0 DCAAMO O[C@@H](COCc1ccco1)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000069372050 396076670 /nfs/dbraw/zinc/07/66/70/396076670.db2.gz HJWSRRACEWBEPS-ZBFHGGJFSA-N 1 1 321.377 0.755 50 0 DCAAMO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069455105 396078837 /nfs/dbraw/zinc/07/88/37/396078837.db2.gz JUOBMIYVMTXKKS-BFHYXJOUSA-N 1 1 311.451 0.993 50 0 DCAAMO Cc1nnc2n1CCN(C[C@H](O)C[N@H+](C)Cc1ccccc1)C2 ZINC000069529256 396081851 /nfs/dbraw/zinc/08/18/51/396081851.db2.gz ARFYYGWRRDGGPC-MRXNPFEDSA-N 1 1 315.421 0.895 50 0 DCAAMO CC1CCN(C[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cncn2)CC1 ZINC000069597849 396084398 /nfs/dbraw/zinc/08/43/98/396084398.db2.gz VBVVFWKVGKKUQQ-CVEARBPZSA-N 1 1 307.442 0.835 50 0 DCAAMO CC1CCN(C[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cncn2)CC1 ZINC000069597849 396084401 /nfs/dbraw/zinc/08/44/01/396084401.db2.gz VBVVFWKVGKKUQQ-CVEARBPZSA-N 1 1 307.442 0.835 50 0 DCAAMO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(=O)n3ccccc3n1)CC2 ZINC000076064711 396195865 /nfs/dbraw/zinc/19/58/65/396195865.db2.gz KFEPBUWWLOJHNG-UHFFFAOYSA-N 1 1 323.356 0.347 50 0 DCAAMO Cn1nc2c(cc1=O)C[N@H+](Cc1cc(=O)n3ccccc3n1)CC2 ZINC000076064711 396195867 /nfs/dbraw/zinc/19/58/67/396195867.db2.gz KFEPBUWWLOJHNG-UHFFFAOYSA-N 1 1 323.356 0.347 50 0 DCAAMO C[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)N1CC[NH+](C)CC1 ZINC000263662771 396221750 /nfs/dbraw/zinc/22/17/50/396221750.db2.gz IYWDCWZQSJMNGL-ZDUSSCGKSA-N 1 1 315.421 0.858 50 0 DCAAMO Nc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)ccn1 ZINC000193407803 396450616 /nfs/dbraw/zinc/45/06/16/396450616.db2.gz ZLDNMMDHQKLBOO-CYBMUJFWSA-N 1 1 310.423 0.664 50 0 DCAAMO Nc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)ccn1 ZINC000193407803 396450619 /nfs/dbraw/zinc/45/06/19/396450619.db2.gz ZLDNMMDHQKLBOO-CYBMUJFWSA-N 1 1 310.423 0.664 50 0 DCAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCc1[nH]nc2c1CCCCC2 ZINC000584886538 396632161 /nfs/dbraw/zinc/63/21/61/396632161.db2.gz WCJMUJNGHYTJFJ-GFCCVEGCSA-N 1 1 306.410 0.752 50 0 DCAAMO 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/nfs/dbraw/zinc/23/06/92/415230692.db2.gz MFGWDIFEUZZWRK-LSDHHAIUSA-N 1 1 305.378 0.549 50 0 DCAAMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccccc2O)CC1 ZINC000044901283 415230789 /nfs/dbraw/zinc/23/07/89/415230789.db2.gz NUOSIJURSDVMIN-UHFFFAOYSA-N 1 1 320.393 0.084 50 0 DCAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC000072138687 415410719 /nfs/dbraw/zinc/41/07/19/415410719.db2.gz DRSLPCNIQWKDIJ-AWEZNQCLSA-N 1 1 304.394 0.778 50 0 DCAAMO CC[C@@H]1CN(CCCS(=O)(=O)N(C)C)CC[N@H+]1C[C@@H](C)O ZINC000072279808 415413112 /nfs/dbraw/zinc/41/31/12/415413112.db2.gz LBKJNKXHPIISDR-ZIAGYGMSSA-N 1 1 321.487 0.045 50 0 DCAAMO C[C@@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000084638267 415497016 /nfs/dbraw/zinc/49/70/16/415497016.db2.gz YEEPZEQTQANXPP-GJZGRUSLSA-N 1 1 320.437 0.877 50 0 DCAAMO CCc1ncnc(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1F ZINC000095981526 415567449 /nfs/dbraw/zinc/56/74/49/415567449.db2.gz NBBDZLDURNJAHW-CYBMUJFWSA-N 1 1 321.400 0.921 50 0 DCAAMO 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/nfs/dbraw/zinc/65/32/52/415653252.db2.gz CRUPMFZLSFREGK-QWHCGFSZSA-N 1 1 309.414 0.054 50 0 DCAAMO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000107575161 415669049 /nfs/dbraw/zinc/66/90/49/415669049.db2.gz RUVZQKZRUFNIIH-QWHCGFSZSA-N 1 1 317.455 0.595 50 0 DCAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000107575161 415669051 /nfs/dbraw/zinc/66/90/51/415669051.db2.gz RUVZQKZRUFNIIH-QWHCGFSZSA-N 1 1 317.455 0.595 50 0 DCAAMO COCCn1ccnc1C[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299760506 416063961 /nfs/dbraw/zinc/06/39/61/416063961.db2.gz UXMHVGTZMSNVAA-UONOGXRCSA-N 1 1 318.381 0.467 50 0 DCAAMO COCCn1ccnc1C[N@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299760506 416063964 /nfs/dbraw/zinc/06/39/64/416063964.db2.gz UXMHVGTZMSNVAA-UONOGXRCSA-N 1 1 318.381 0.467 50 0 DCAAMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC([NH+]2CCCCC2)C1 ZINC000299774518 416066339 /nfs/dbraw/zinc/06/63/39/416066339.db2.gz DNSSPKBVXUDRHS-HNNXBMFYSA-N 1 1 319.409 0.154 50 0 DCAAMO 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334318503 /nfs/dbraw/zinc/31/85/03/334318503.db2.gz HKXFSUXKPAIYOW-RYUDHWBXSA-N 1 1 302.371 0.741 50 0 DCAAMO CC(C)c1[nH+]ccn1CCCNC(=O)CCNS(C)(=O)=O ZINC000670444714 547093372 /nfs/dbraw/zinc/09/33/72/547093372.db2.gz HBXGJJDOVLXTDE-UHFFFAOYSA-N 1 1 316.427 0.452 50 0 DCAAMO CN(C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1)[C@@H]1CCN(C)C1=O ZINC000685942242 548747865 /nfs/dbraw/zinc/74/78/65/548747865.db2.gz OQFMPPACGFCWDG-CYBMUJFWSA-N 1 1 319.409 0.522 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NC2(CO)CCCCCC2)C1 ZINC000952973733 665835365 /nfs/dbraw/zinc/83/53/65/665835365.db2.gz PBWHNRDERAWLIC-ZDUSSCGKSA-N 1 1 311.426 0.385 50 0 DCAAMO COc1cccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1O ZINC000863947755 667196340 /nfs/dbraw/zinc/19/63/40/667196340.db2.gz DZSUJIGRKFYXPM-WCQYABFASA-N 1 1 307.394 0.765 50 0 DCAAMO O=C(CCc1cn[nH]c1)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000952974177 685600115 /nfs/dbraw/zinc/60/01/15/685600115.db2.gz LHYFNXDTJWFVEA-HNNXBMFYSA-N 1 1 306.410 0.648 50 0 DCAAMO 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/nfs/dbraw/zinc/96/95/72/1179969572.db2.gz PCIMKNPZLLDBRQ-HIFRSBDPSA-N 1 1 314.389 0.825 50 0 DCAAMO Cc1nnc([C@@H]2CC[N@H+](CCCO)CCN2C(=O)C(C)C)[nH]1 ZINC000675014674 748026901 /nfs/dbraw/zinc/02/69/01/748026901.db2.gz YKXIJEAHSUOLQQ-ZDUSSCGKSA-N 1 1 309.414 0.727 50 0 DCAAMO O=S(=O)(CC1CCCC1)NC[C@H]1CCC[N@H+](CCO)C1 ZINC000828760487 759102561 /nfs/dbraw/zinc/10/25/61/759102561.db2.gz SFGKSIIKWWQIMF-CQSZACIVSA-N 1 1 304.456 0.800 50 0 DCAAMO CC[C@H](C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2)[N@@H+](C)CC ZINC000952872223 768935049 /nfs/dbraw/zinc/93/50/49/768935049.db2.gz LQLRSDLSBORDGH-GFCCVEGCSA-N 1 1 309.410 0.762 50 0 DCAAMO CNC(=O)c1cccnc1NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001529138917 1014502159 /nfs/dbraw/zinc/50/21/59/1014502159.db2.gz KJOJCKBKQDUEBQ-NSHDSACASA-N 1 1 305.382 0.050 50 0 DCAAMO CN1CCC2(CC1)CN(C(=O)CCc1cn[nH]c1)CCC[N@H+]2C ZINC001506428137 1017269635 /nfs/dbraw/zinc/26/96/35/1017269635.db2.gz NCNIQUWLLPEGNG-UHFFFAOYSA-N 1 1 319.453 0.971 50 0 DCAAMO 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/nfs/dbraw/zinc/85/14/40/395851440.db2.gz YCLIJJDEJFKMLG-SNVBAGLBSA-N 1 1 307.354 0.111 50 0 DCAAMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2nnc(-c3ccsc3)n2)C[C@H](C)O1 ZINC000225708904 395862938 /nfs/dbraw/zinc/86/29/38/395862938.db2.gz LRRBZAOOCIKYLI-NTZNESFSSA-N 1 1 323.422 0.872 50 0 DCAAMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCN1Cc1nccn1C ZINC000229527145 395874828 /nfs/dbraw/zinc/87/48/28/395874828.db2.gz MKYCNWYWZDMQHZ-LSDHHAIUSA-N 1 1 318.425 0.184 50 0 DCAAMO O=C(CC[N@@H+]1CCC[C@@H]1CO)N1CCN(c2ccccn2)CC1 ZINC000063512355 395978211 /nfs/dbraw/zinc/97/82/11/395978211.db2.gz WYYWSGIJNRVMHT-OAHLLOKOSA-N 1 1 318.421 0.577 50 0 DCAAMO CC[NH+]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000065439797 395993357 /nfs/dbraw/zinc/99/33/57/395993357.db2.gz ZTKZLHFQNLZZLM-AWEZNQCLSA-N 1 1 318.425 0.793 50 0 DCAAMO COc1cc(NCC[NH+]2CCN(c3ncccn3)CC2)ncn1 ZINC000065426744 395993395 /nfs/dbraw/zinc/99/33/95/395993395.db2.gz WAIMBIMFQAIGLU-UHFFFAOYSA-N 1 1 315.381 0.509 50 0 DCAAMO CC[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000252510644 396022592 /nfs/dbraw/zinc/02/25/92/396022592.db2.gz BAIHMVBMEPJJSR-NEPJUHHUSA-N 1 1 303.428 0.157 50 0 DCAAMO NC(=O)C1(C(=O)NCC[C@@H]2C[N@H+](C3CCCCC3)CCO2)CC1 ZINC000067446611 396026141 /nfs/dbraw/zinc/02/61/41/396026141.db2.gz RIHPTBVTGCDRRL-CQSZACIVSA-N 1 1 323.437 0.792 50 0 DCAAMO COc1cccc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)C3CC3)C2)n1 ZINC000253407678 396027304 /nfs/dbraw/zinc/02/73/04/396027304.db2.gz KBDQISFDXYVUKQ-GXTWGEPZSA-N 1 1 305.378 0.409 50 0 DCAAMO COc1cccc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)C3CC3)C2)n1 ZINC000253407678 396027307 /nfs/dbraw/zinc/02/73/07/396027307.db2.gz KBDQISFDXYVUKQ-GXTWGEPZSA-N 1 1 305.378 0.409 50 0 DCAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccoc2)C[C@H]1CO)c1ccncc1 ZINC000257191460 396035095 /nfs/dbraw/zinc/03/50/95/396035095.db2.gz QIKRWPHXKSAYBP-LSDHHAIUSA-N 1 1 301.346 0.897 50 0 DCAAMO O=C(N[C@@H]1C[N@H+](Cc2ccoc2)C[C@H]1CO)c1ccncc1 ZINC000257191460 396035099 /nfs/dbraw/zinc/03/50/99/396035099.db2.gz QIKRWPHXKSAYBP-LSDHHAIUSA-N 1 1 301.346 0.897 50 0 DCAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO)c1ccncn1 ZINC000257192189 396035266 /nfs/dbraw/zinc/03/52/66/396035266.db2.gz SWDZEUMALQIXHI-SWLSCSKDSA-N 1 1 313.361 0.094 50 0 DCAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO)c1ccncn1 ZINC000257192189 396035271 /nfs/dbraw/zinc/03/52/71/396035271.db2.gz SWDZEUMALQIXHI-SWLSCSKDSA-N 1 1 313.361 0.094 50 0 DCAAMO CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)N2CCO[C@H](C)C2)C1 ZINC000257366177 396047228 /nfs/dbraw/zinc/04/72/28/396047228.db2.gz MHGQOIFSDNGCKT-JHJVBQTASA-N 1 1 305.444 0.270 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000249697451 396011188 /nfs/dbraw/zinc/01/11/88/396011188.db2.gz UTEBLFAJAZHTCT-QWHCGFSZSA-N 1 1 317.455 0.401 50 0 DCAAMO CCOC(=O)N[C@@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000069670240 396086180 /nfs/dbraw/zinc/08/61/80/396086180.db2.gz GTQOBKSDZDGWGB-SNVBAGLBSA-N 1 1 300.359 0.172 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000069810588 396091116 /nfs/dbraw/zinc/09/11/16/396091116.db2.gz PSMHAFQQSNVFJT-HRCADAONSA-N 1 1 306.410 0.719 50 0 DCAAMO O[C@H](C[NH+]1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 ZINC000069814833 396091231 /nfs/dbraw/zinc/09/12/31/396091231.db2.gz NGPRODABSJMFNR-OAHLLOKOSA-N 1 1 324.388 0.980 50 0 DCAAMO CC[C@@H]1CN(CC(=O)Nc2nncs2)CC[N@H+]1CCOC ZINC000069841414 396091897 /nfs/dbraw/zinc/09/18/97/396091897.db2.gz SBFKIUQTPDHSHU-LLVKDONJSA-N 1 1 313.427 0.519 50 0 DCAAMO COCCn1nc2n(c1=O)CC[N@@H+](C1CCSCC1)CC2 ZINC000169790095 396093317 /nfs/dbraw/zinc/09/33/17/396093317.db2.gz ADQUXRXVOVYKJF-UHFFFAOYSA-N 1 1 312.439 0.445 50 0 DCAAMO CC[C@]1(CO)CCC[N@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000170089033 396094330 /nfs/dbraw/zinc/09/43/30/396094330.db2.gz MHZLMLSXTZSTRZ-QGZVFWFLSA-N 1 1 319.453 0.965 50 0 DCAAMO CC(=O)NCCNC(=O)C[N@H+]1CCC[C@H]1Cn1nc(C)cc1C ZINC000070003735 396097533 /nfs/dbraw/zinc/09/75/33/396097533.db2.gz UDTNPPAKJLWTIG-HNNXBMFYSA-N 1 1 321.425 0.217 50 0 DCAAMO c1cnnc(N2CCC[C@H]2C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000071859899 396119391 /nfs/dbraw/zinc/11/93/91/396119391.db2.gz MDOBTLIBQNQLLM-LBPRGKRZSA-N 1 1 300.370 0.557 50 0 DCAAMO CC[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)CC[N@H+]1C[C@@H](C)O ZINC000071864677 396119752 /nfs/dbraw/zinc/11/97/52/396119752.db2.gz IMJJBLQJFNYULN-ZIAGYGMSSA-N 1 1 323.441 0.444 50 0 DCAAMO Cc1ccn2ncc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)c2n1 ZINC000071871513 396120633 /nfs/dbraw/zinc/12/06/33/396120633.db2.gz AMRPBPCEJUYUMK-LBPRGKRZSA-N 1 1 303.366 0.176 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCCNS(C)(=O)=O ZINC000071880428 396122900 /nfs/dbraw/zinc/12/29/00/396122900.db2.gz YYRULRZZUZDEDP-ZIAGYGMSSA-N 1 1 317.455 0.401 50 0 DCAAMO Cc1cnn(C[C@H]2C[N@H+](CCCN3CCCC3=O)CCO2)c1 ZINC000069452072 396078608 /nfs/dbraw/zinc/07/86/08/396078608.db2.gz ICECHNXBNZIAKL-OAHLLOKOSA-N 1 1 306.410 0.905 50 0 DCAAMO Cc1cnn(C[C@H]2C[N@@H+](CCCN3CCCC3=O)CCO2)c1 ZINC000069452072 396078610 /nfs/dbraw/zinc/07/86/10/396078610.db2.gz ICECHNXBNZIAKL-OAHLLOKOSA-N 1 1 306.410 0.905 50 0 DCAAMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000069464146 396079334 /nfs/dbraw/zinc/07/93/34/396079334.db2.gz AQXLMMUIFYCMRM-ZDUSSCGKSA-N 1 1 313.423 0.571 50 0 DCAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCCC[C@@H]2Cn2cncn2)CCO1 ZINC000069493044 396080193 /nfs/dbraw/zinc/08/01/93/396080193.db2.gz NOGBPFZHDFPSPO-UONOGXRCSA-N 1 1 307.398 0.380 50 0 DCAAMO C[C@H]1CN(C(=O)C[N@H+]2CCCC[C@@H]2Cn2cncn2)CCO1 ZINC000069493044 396080196 /nfs/dbraw/zinc/08/01/96/396080196.db2.gz NOGBPFZHDFPSPO-UONOGXRCSA-N 1 1 307.398 0.380 50 0 DCAAMO COCC[NH+]1CCN(CC(=O)Nc2ccnn2C(C)C)CC1 ZINC000069624338 396084683 /nfs/dbraw/zinc/08/46/83/396084683.db2.gz BQMPWCAEOYCMKZ-UHFFFAOYSA-N 1 1 309.414 0.667 50 0 DCAAMO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCN(CCO)CC1 ZINC000069631574 396085491 /nfs/dbraw/zinc/08/54/91/396085491.db2.gz IPMCJQOYKYPPHX-KRWDZBQOSA-N 1 1 307.438 0.089 50 0 DCAAMO COC(=O)[C@@H](F)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000076018444 396192214 /nfs/dbraw/zinc/19/22/14/396192214.db2.gz DHRKINHRJKVRHU-ZNMIVQPWSA-N 1 1 315.433 0.988 50 0 DCAAMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000078656585 396250938 /nfs/dbraw/zinc/25/09/38/396250938.db2.gz HUOILLCLKWMBKD-NSHDSACASA-N 1 1 318.830 0.740 50 0 DCAAMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000078656585 396250941 /nfs/dbraw/zinc/25/09/41/396250941.db2.gz HUOILLCLKWMBKD-NSHDSACASA-N 1 1 318.830 0.740 50 0 DCAAMO COCCN1C[C@@]2(CCCN(c3nc(N)cc[nH+]3)C2)CCC1=O ZINC000077342249 396219682 /nfs/dbraw/zinc/21/96/82/396219682.db2.gz ZPQBBLZTSMDOHI-MRXNPFEDSA-N 1 1 319.409 0.914 50 0 DCAAMO Cc1cccnc1N1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000077379612 396220328 /nfs/dbraw/zinc/22/03/28/396220328.db2.gz MIOGIFKFFXHSIS-HNNXBMFYSA-N 1 1 318.421 0.495 50 0 DCAAMO CN(C)c1ccc(CN2CC[NH+](CCn3cncn3)CC2)cn1 ZINC000077534969 396225605 /nfs/dbraw/zinc/22/56/05/396225605.db2.gz AIRSPBBDBBSIES-UHFFFAOYSA-N 1 1 315.425 0.557 50 0 DCAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)c1ccc(=O)n(C)n1 ZINC000584885252 396632018 /nfs/dbraw/zinc/63/20/18/396632018.db2.gz OEMSWFONSCWFOG-UHFFFAOYSA-N 1 1 312.373 0.998 50 0 DCAAMO COC(=O)c1cc(O)cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000584889443 396632945 /nfs/dbraw/zinc/63/29/45/396632945.db2.gz KQEYRJNZFMEIHK-CYBMUJFWSA-N 1 1 321.377 0.154 50 0 DCAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCCc1nc2ccccc2o1 ZINC000584900891 396636565 /nfs/dbraw/zinc/63/65/65/396636565.db2.gz XOUFRLVDILEFIV-LBPRGKRZSA-N 1 1 303.362 0.943 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCCc1nc2ccccc2o1 ZINC000584900891 396636567 /nfs/dbraw/zinc/63/65/67/396636567.db2.gz XOUFRLVDILEFIV-LBPRGKRZSA-N 1 1 303.362 0.943 50 0 DCAAMO COCC[NH+]1CCN(C(=O)NCCc2noc(C3CC3)n2)CC1 ZINC000584902190 396637251 /nfs/dbraw/zinc/63/72/51/396637251.db2.gz KZQQIQONYKUOOO-UHFFFAOYSA-N 1 1 323.397 0.463 50 0 DCAAMO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000585140775 396641368 /nfs/dbraw/zinc/64/13/68/396641368.db2.gz JJPWTNSGDLSSHQ-WDEREUQCSA-N 1 1 308.382 0.982 50 0 DCAAMO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000585140775 396641371 /nfs/dbraw/zinc/64/13/71/396641371.db2.gz JJPWTNSGDLSSHQ-WDEREUQCSA-N 1 1 308.382 0.982 50 0 DCAAMO CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000585136541 396641423 /nfs/dbraw/zinc/64/14/23/396641423.db2.gz KCHRCXOXPDSIPJ-HUUCEWRRSA-N 1 1 324.425 0.400 50 0 DCAAMO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CNCCO2)s1 ZINC000215546145 292098113 /nfs/dbraw/zinc/09/81/13/292098113.db2.gz UCJLEEPRKPFPKW-AWEZNQCLSA-N 1 1 311.451 0.935 50 0 DCAAMO CCCS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000367655020 159349289 /nfs/dbraw/zinc/34/92/89/159349289.db2.gz BLIBNTBJEDSIFE-CQSZACIVSA-N 1 1 303.472 0.686 50 0 DCAAMO C[C@H]([N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)C ZINC000027132832 415166730 /nfs/dbraw/zinc/16/67/30/415166730.db2.gz VAWAYJOZRRAJFD-VIFPVBQESA-N 1 1 310.398 0.215 50 0 DCAAMO CN1N=C(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CCC1=O ZINC000044911279 415232372 /nfs/dbraw/zinc/23/23/72/415232372.db2.gz PRIWVUKZDBEHBM-ZDUSSCGKSA-N 1 1 322.409 0.308 50 0 DCAAMO C[C@@H](CNS(=O)(=O)N1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000044936207 415234041 /nfs/dbraw/zinc/23/40/41/415234041.db2.gz XVIYCIQMWXWQAD-OLZOCXBDSA-N 1 1 305.444 0.273 50 0 DCAAMO CC[C@@](C)(CNC(=O)NCCn1ccnc1)[NH+]1CCOCC1 ZINC000048286942 415287478 /nfs/dbraw/zinc/28/74/78/415287478.db2.gz LNJRRDDRDOZGAP-HNNXBMFYSA-N 1 1 309.414 0.683 50 0 DCAAMO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCC(C(N)=O)CC2)on1 ZINC000048303790 415290875 /nfs/dbraw/zinc/29/08/75/415290875.db2.gz LHAJLXDLIWXEGX-CYBMUJFWSA-N 1 1 320.393 0.844 50 0 DCAAMO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCC(C(N)=O)CC2)on1 ZINC000048303790 415290883 /nfs/dbraw/zinc/29/08/83/415290883.db2.gz LHAJLXDLIWXEGX-CYBMUJFWSA-N 1 1 320.393 0.844 50 0 DCAAMO C[C@H]1C[NH+](CCNc2cncc(-n3cncn3)n2)C[C@H](C)O1 ZINC000048354016 415292794 /nfs/dbraw/zinc/29/27/94/415292794.db2.gz NHRLRWSQERGXAJ-RYUDHWBXSA-N 1 1 303.370 0.578 50 0 DCAAMO N[C@H]1C[NH2+][C@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000067435267 415374317 /nfs/dbraw/zinc/37/43/17/415374317.db2.gz SFIUVOPURYUJFA-ZJUUUORDSA-N 1 1 303.284 0.891 50 0 DCAAMO CCc1ncc2c(n1)CN(C(=O)C[C@H](C)[NH+]1CCOCC1)C2 ZINC000067820025 415383115 /nfs/dbraw/zinc/38/31/15/415383115.db2.gz IUUKTLUWAJBCJA-LBPRGKRZSA-N 1 1 304.394 0.992 50 0 DCAAMO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000067725038 415384379 /nfs/dbraw/zinc/38/43/79/415384379.db2.gz WSHMQFPDUYIQAS-MFKMUULPSA-N 1 1 307.398 0.600 50 0 DCAAMO Cn1nnc2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)ccc21 ZINC000067789839 415386600 /nfs/dbraw/zinc/38/66/00/415386600.db2.gz CSMOBYFNSWCQKZ-CYBMUJFWSA-N 1 1 317.393 0.545 50 0 DCAAMO C[N@H+]1CCN2C[C@@H](NC(=O)c3onc4ccccc43)C[C@H]2C1 ZINC000067820732 415387266 /nfs/dbraw/zinc/38/72/66/415387266.db2.gz YXSFGCQKNHPGEU-RYUDHWBXSA-N 1 1 300.362 0.946 50 0 DCAAMO CN1CC[N@@H+]2C[C@@H](NC(=O)c3onc4ccccc43)C[C@H]2C1 ZINC000067820732 415387274 /nfs/dbraw/zinc/38/72/74/415387274.db2.gz YXSFGCQKNHPGEU-RYUDHWBXSA-N 1 1 300.362 0.946 50 0 DCAAMO CN1CC[N@H+]2C[C@@H](NC(=O)c3onc4ccccc43)C[C@H]2C1 ZINC000067820732 415387280 /nfs/dbraw/zinc/38/72/80/415387280.db2.gz YXSFGCQKNHPGEU-RYUDHWBXSA-N 1 1 300.362 0.946 50 0 DCAAMO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CC[NH+](C2CC2)CC1 ZINC000084432626 415497224 /nfs/dbraw/zinc/49/72/24/415497224.db2.gz JIALKYJHFIAWRV-ZDUSSCGKSA-N 1 1 317.389 0.935 50 0 DCAAMO CC(=O)NCCNC(=O)C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000075132287 415436211 /nfs/dbraw/zinc/43/62/11/415436211.db2.gz VVFSFWXYMPXNNL-AWEZNQCLSA-N 1 1 321.425 0.426 50 0 DCAAMO CC(=O)NCCNC(=O)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000075132287 415436218 /nfs/dbraw/zinc/43/62/18/415436218.db2.gz VVFSFWXYMPXNNL-AWEZNQCLSA-N 1 1 321.425 0.426 50 0 DCAAMO COc1ccnc(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)n1 ZINC000075123751 415438479 /nfs/dbraw/zinc/43/84/79/415438479.db2.gz QHXWCWCNDSIEFG-LBPRGKRZSA-N 1 1 305.382 0.228 50 0 DCAAMO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(=O)[nH]1 ZINC000075118570 415438717 /nfs/dbraw/zinc/43/87/17/415438717.db2.gz IGGKDWRTNACFIJ-ZDUSSCGKSA-N 1 1 307.394 0.770 50 0 DCAAMO Cc1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1 ZINC000075119339 415438997 /nfs/dbraw/zinc/43/89/97/415438997.db2.gz KXAINZUIGLLSBS-BETUJISGSA-N 1 1 307.394 0.912 50 0 DCAAMO Cc1nnc2ccc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)cn12 ZINC000075606578 415452905 /nfs/dbraw/zinc/45/29/05/415452905.db2.gz UAZZOOZLXZOXNZ-UHFFFAOYSA-N 1 1 317.393 0.566 50 0 DCAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCSc1nnnn1C ZINC000095354664 415553899 /nfs/dbraw/zinc/55/38/99/415553899.db2.gz GMMXCEUETWVIMG-SNVBAGLBSA-N 1 1 323.426 1.000 50 0 DCAAMO CCc1nc(N)nc(N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)c1C ZINC000095374040 415558044 /nfs/dbraw/zinc/55/80/44/415558044.db2.gz FDAFDTZVEFIIKR-KBPBESRZSA-N 1 1 321.425 0.201 50 0 DCAAMO CCc1nc(N)nc(N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)c1C ZINC000095374040 415558050 /nfs/dbraw/zinc/55/80/50/415558050.db2.gz FDAFDTZVEFIIKR-KBPBESRZSA-N 1 1 321.425 0.201 50 0 DCAAMO COc1nccnc1N1CCC[C@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095502235 415561994 /nfs/dbraw/zinc/56/19/94/415561994.db2.gz YNGKSXBTIKFWJA-NSHDSACASA-N 1 1 316.365 0.551 50 0 DCAAMO CC[C@H]1CN(CC(=O)Nc2cc(C)nn2C)CC[N@H+]1C[C@H](C)O ZINC000106868219 415651245 /nfs/dbraw/zinc/65/12/45/415651245.db2.gz IMJJBLQJFNYULN-KBPBESRZSA-N 1 1 323.441 0.444 50 0 DCAAMO C[C@H](O)CN1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000106869148 415652633 /nfs/dbraw/zinc/65/26/33/415652633.db2.gz HODYAMGWQIFNOB-IKGGRYGDSA-N 1 1 313.486 0.466 50 0 DCAAMO C[C@@H](O)[C@H]([NH3+])C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1 ZINC000299768524 416065185 /nfs/dbraw/zinc/06/51/85/416065185.db2.gz XXIFPIVCMKBAIH-OQPBUACISA-N 1 1 310.785 0.973 50 0 DCAAMO COc1ccc(C(=O)NCc2nnc[nH]2)cc1OCCC[NH3+] ZINC000299776089 416066702 /nfs/dbraw/zinc/06/67/02/416066702.db2.gz NBTBOQQGTXXGKI-UHFFFAOYSA-N 1 1 305.338 0.471 50 0 DCAAMO Cn1nc(C(N)=O)c2c1CC[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000252487710 416334594 /nfs/dbraw/zinc/33/45/94/416334594.db2.gz IAILTLIFDLRUPS-CQSZACIVSA-N 1 1 300.362 0.611 50 0 DCAAMO Cn1nc(C(N)=O)c2c1CC[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000252487710 416334595 /nfs/dbraw/zinc/33/45/95/416334595.db2.gz IAILTLIFDLRUPS-CQSZACIVSA-N 1 1 300.362 0.611 50 0 DCAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCn1cnnn1 ZINC000583652715 416481730 /nfs/dbraw/zinc/48/17/30/416481730.db2.gz SCMKJFYOBCIIAO-KBPBESRZSA-N 1 1 306.414 0.786 50 0 biogenic DCAAMO Nc1nc(NCCNc2cccnc2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426571597 416775961 /nfs/dbraw/zinc/77/59/61/416775961.db2.gz KYASYFFAMLJEAV-LLVKDONJSA-N 1 1 300.366 0.904 50 0 DCAAMO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CSC[NH2+]1)CC2 ZINC000161889283 276355701 /nfs/dbraw/zinc/35/57/01/276355701.db2.gz BVOAQLUUGHRSJE-SDDRHHMPSA-N 1 1 300.424 0.427 50 0 DCAAMO CC(=O)NCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)s1 ZINC000237633151 277037979 /nfs/dbraw/zinc/03/79/79/277037979.db2.gz DGYXWIUDJOZRMG-VIFPVBQESA-N 1 1 317.436 0.367 50 0 DCAAMO C[NH+]1CCN(CC2(CNc3ncccc3C(N)=O)CC2)CC1 ZINC000534592729 334294736 /nfs/dbraw/zinc/29/47/36/334294736.db2.gz GOPMVRGRLNCWAH-UHFFFAOYSA-N 1 1 303.410 0.620 50 0 DCAAMO Cc1nc(CC(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)cs1 ZINC000534640897 334311068 /nfs/dbraw/zinc/31/10/68/334311068.db2.gz ZCFGOTBBJSYSNE-KBPBESRZSA-N 1 1 324.450 0.125 50 0 DCAAMO CCc1nc(CN(C)[C@@H]2CC[N@@H+](CCn3cncn3)C2)no1 ZINC000083830411 545698361 /nfs/dbraw/zinc/69/83/61/545698361.db2.gz IOCYYUGLVLJFPE-GFCCVEGCSA-N 1 1 305.386 0.430 50 0 DCAAMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)o1 ZINC000084258806 545701115 /nfs/dbraw/zinc/70/11/15/545701115.db2.gz VYVUGDXFJYNVGB-GJZGRUSLSA-N 1 1 319.409 0.747 50 0 DCAAMO CN1C(=O)[C@H]2C[N@@H+](Cc3cnc(-c4ccccn4)nc3)C[C@H]2C1=O ZINC000215815378 545937386 /nfs/dbraw/zinc/93/73/86/545937386.db2.gz JISYMMJMISZZEA-BETUJISGSA-N 1 1 323.356 0.585 50 0 DCAAMO C[N@H+](CCS(C)(=O)=O)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000670461346 547098386 /nfs/dbraw/zinc/09/83/86/547098386.db2.gz CYRJLZSKAXTJTP-LBPRGKRZSA-N 1 1 302.440 0.754 50 0 DCAAMO C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000670461346 547098391 /nfs/dbraw/zinc/09/83/91/547098391.db2.gz CYRJLZSKAXTJTP-LBPRGKRZSA-N 1 1 302.440 0.754 50 0 DCAAMO C[C@H]1C(=O)N(C)CN1C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1 ZINC000685942410 548747569 /nfs/dbraw/zinc/74/75/69/548747569.db2.gz PNZBYFBALBDTCH-JTQLQIEISA-N 1 1 305.382 0.479 50 0 DCAAMO CC[C@H]1CN(C(=O)c2c[nH]c3ncnn3c2=O)CC[N@H+]1C(C)C ZINC000101896445 658320829 /nfs/dbraw/zinc/32/08/29/658320829.db2.gz SASVEBUSKQWRGQ-NSHDSACASA-N 1 1 318.381 0.362 50 0 DCAAMO CCC(=O)NCc1cc2n(n1)CCN(C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2 ZINC000299783343 659645551 /nfs/dbraw/zinc/64/55/51/659645551.db2.gz ZOLDFNTWSNUJNI-FICVDOATSA-N 1 1 303.410 0.190 50 0 DCAAMO CCn1cc(S(=O)(=O)N[C@@H]2C[N@@H+](CC)CC2(C)C)cn1 ZINC000952993510 665873459 /nfs/dbraw/zinc/87/34/59/665873459.db2.gz NWHLBJRNPXOCIM-GFCCVEGCSA-N 1 1 300.428 0.912 50 0 DCAAMO CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000864057965 667207279 /nfs/dbraw/zinc/20/72/79/667207279.db2.gz PTGMGWQJFOZTDB-CVEARBPZSA-N 1 1 310.486 0.954 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2ccc3nonc3c2)C1 ZINC000952964079 685598145 /nfs/dbraw/zinc/59/81/45/685598145.db2.gz NAIBLXSVQXRPCD-NSHDSACASA-N 1 1 317.349 0.036 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000952964992 685598449 /nfs/dbraw/zinc/59/84/49/685598449.db2.gz DZNYUDQFPRZZRQ-OCCSQVGLSA-N 1 1 323.368 0.173 50 0 DCAAMO O=C([C@@H]1CC12CCC2)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000952977912 685601010 /nfs/dbraw/zinc/60/10/10/685601010.db2.gz WDOQHTFUBWXBMS-INIZCTEOSA-N 1 1 321.465 0.778 50 0 DCAAMO COC[C@@H]1C[N@@H+](C)CC12CCN(C(=O)c1ccncn1)CC2 ZINC000169789998 685141143 /nfs/dbraw/zinc/14/11/43/685141143.db2.gz GRECYELRSQOFSW-ZDUSSCGKSA-N 1 1 304.394 0.907 50 0 DCAAMO C[N@@H+]1C[C@H]2COC[C@@H]1CN(S(=O)(=O)Cc1ccccc1)C2 ZINC001704313001 1179969880 /nfs/dbraw/zinc/96/98/80/1179969880.db2.gz DICIJISTIUMMGQ-CABCVRRESA-N 1 1 310.419 0.779 50 0 DCAAMO C[N@H+]1C[C@H]2COC[C@@H]1CN(S(=O)(=O)Cc1ccccc1)C2 ZINC001704313001 1179969883 /nfs/dbraw/zinc/96/98/83/1179969883.db2.gz DICIJISTIUMMGQ-CABCVRRESA-N 1 1 310.419 0.779 50 0 DCAAMO C[N@H+]1CCC[C@]2(CO)CCN(c3cc(NCCO)ncn3)C[C@@H]12 ZINC001704315495 1179970627 /nfs/dbraw/zinc/97/06/27/1179970627.db2.gz HBMUUTXLQDIHPT-CZUORRHYSA-N 1 1 321.425 0.164 50 0 DCAAMO CCc1nccn1CCC(=O)N1C[C@H]2COC[C@@H]1C[N@@H+](C)C2 ZINC001704314642 1179971478 /nfs/dbraw/zinc/97/14/78/1179971478.db2.gz VJSKWUKUQVCENZ-KBPBESRZSA-N 1 1 306.410 0.625 50 0 DCAAMO CN(C)c1ncc(CN2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)cn1 ZINC001704340647 1179979202 /nfs/dbraw/zinc/97/92/02/1179979202.db2.gz LAEPQNKJCOPGSV-NVXWUHKLSA-N 1 1 319.453 0.821 50 0 DCAAMO COCC[N@H+](C)CC(=O)N1CC(Oc2cccc(OC)c2)C1 ZINC001704354579 1179983156 /nfs/dbraw/zinc/98/31/56/1179983156.db2.gz GTHPZVKXTWXUGR-UHFFFAOYSA-N 1 1 308.378 0.863 50 0 DCAAMO COCC[N@@H+](C)CC(=O)N1CC(Oc2cccc(OC)c2)C1 ZINC001704354579 1179983162 /nfs/dbraw/zinc/98/31/62/1179983162.db2.gz GTHPZVKXTWXUGR-UHFFFAOYSA-N 1 1 308.378 0.863 50 0 DCAAMO C[C@@H](CN1CCOCC1)[NH2+]C1CCN(C2CCOCC2)CC1 ZINC000821831574 758181615 /nfs/dbraw/zinc/18/16/15/758181615.db2.gz VIJDGNCYVJWRLU-HNNXBMFYSA-N 1 1 311.470 0.940 50 0 DCAAMO C[C@@H](CN1CCOCC1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000821831574 758181620 /nfs/dbraw/zinc/18/16/20/758181620.db2.gz VIJDGNCYVJWRLU-HNNXBMFYSA-N 1 1 311.470 0.940 50 0 DCAAMO CCc1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000585115207 766284053 /nfs/dbraw/zinc/28/40/53/766284053.db2.gz RCDZCQVAFJCDCO-HNNXBMFYSA-N 1 1 323.462 0.917 50 0 DCAAMO CCc1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000585115207 766284054 /nfs/dbraw/zinc/28/40/54/766284054.db2.gz RCDZCQVAFJCDCO-HNNXBMFYSA-N 1 1 323.462 0.917 50 0 DCAAMO COc1cccnc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000952884299 768953402 /nfs/dbraw/zinc/95/34/02/768953402.db2.gz XHLHZKUCSLWLCT-NEPJUHHUSA-N 1 1 307.398 0.846 50 0 DCAAMO Cc1cc(C[C@@H]2C[N@@H+](CC(C)(C)N3CCOCC3)C[C@@H]2O)on1 ZINC001529185334 1014515197 /nfs/dbraw/zinc/51/51/97/1014515197.db2.gz LANGAXNRXQSSHL-ZBFHGGJFSA-N 1 1 323.437 0.929 50 0 DCAAMO Cc1cc(C)n(C[C@H](C)[N@H+]2CCCN(CC(=O)N(C)C)CC2)n1 ZINC001506420882 1017265633 /nfs/dbraw/zinc/26/56/33/1017265633.db2.gz CEUWWQYFHSPEAK-INIZCTEOSA-N 1 1 321.469 0.984 50 0 DCAAMO C[C@@H](CNC(=O)Cc1ccccc1O)CN1CC[NH+](C)CC1 ZINC000081765035 192321937 /nfs/dbraw/zinc/32/19/37/192321937.db2.gz QDIPFULOCUHLBX-AWEZNQCLSA-N 1 1 305.422 0.934 50 0 DCAAMO COc1ccc2c(c1)nc(CN1CC[NH+](CCO)CC1)n2C ZINC000095548126 185379377 /nfs/dbraw/zinc/37/93/77/185379377.db2.gz VCMMVQKUGBSFGG-UHFFFAOYSA-N 1 1 304.394 0.692 50 0 DCAAMO COCC[N@H+](C)CC(=O)N1CCN(c2ccccc2C)C(=O)C1 ZINC000082121958 192359668 /nfs/dbraw/zinc/35/96/68/192359668.db2.gz PYZUODBVXLQBRS-UHFFFAOYSA-N 1 1 319.405 0.748 50 0 DCAAMO COCC[N@@H+](C)CC(=O)N1CCN(c2ccccc2C)C(=O)C1 ZINC000082121958 192359671 /nfs/dbraw/zinc/35/96/71/192359671.db2.gz PYZUODBVXLQBRS-UHFFFAOYSA-N 1 1 319.405 0.748 50 0 DCAAMO NS(=O)(=O)c1ccnc(N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000095467703 185372219 /nfs/dbraw/zinc/37/22/19/185372219.db2.gz PSNRCVKCBJYYAC-UHFFFAOYSA-N 1 1 307.379 0.836 50 0 DCAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000071712050 191011570 /nfs/dbraw/zinc/01/15/70/191011570.db2.gz BPOGWOCTBDRBRL-CYBMUJFWSA-N 1 1 305.426 0.832 50 0 DCAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072151523 191056019 /nfs/dbraw/zinc/05/60/19/191056019.db2.gz WLVPYNIJYHLFBA-CVEARBPZSA-N 1 1 304.390 0.246 50 0 DCAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072151523 191056022 /nfs/dbraw/zinc/05/60/22/191056022.db2.gz WLVPYNIJYHLFBA-CVEARBPZSA-N 1 1 304.390 0.246 50 0 DCAAMO CC(C)(C)c1cc(CN2CCO[C@]3(C2)C[NH2+]CCOC3)n[nH]1 ZINC000072169566 191067894 /nfs/dbraw/zinc/06/78/94/191067894.db2.gz OSEAOTDPKBIHQE-INIZCTEOSA-N 1 1 308.426 0.898 50 0 DCAAMO CN(Cc1[nH]nc2c1CCC2)C(=O)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072473942 191177664 /nfs/dbraw/zinc/17/76/64/191177664.db2.gz MKJQHLCEKVOLKL-AWEZNQCLSA-N 1 1 300.366 0.467 50 0 DCAAMO COc1cccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000237426025 202262930 /nfs/dbraw/zinc/26/29/30/202262930.db2.gz YTOTUIKAZJFDML-ZDUSSCGKSA-N 1 1 301.350 0.719 50 0 DCAAMO CNC(=O)CCC[N@@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000154799024 291215552 /nfs/dbraw/zinc/21/55/52/291215552.db2.gz SHQWNYQUIFFMDU-CYBMUJFWSA-N 1 1 307.398 0.374 50 0 DCAAMO C[NH2+][C@@H]1CCCN(CC2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000261850246 283659202 /nfs/dbraw/zinc/65/92/02/283659202.db2.gz XWRGSITZKPIBLW-LLVKDONJSA-N 1 1 308.407 0.692 50 0 DCAAMO C[C@@H](c1cncs1)N(C)C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000091304622 193037205 /nfs/dbraw/zinc/03/72/05/193037205.db2.gz PEYPIGIPTUUKRY-JTQLQIEISA-N 1 1 310.423 0.860 50 0 DCAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cn1nnnc1C)C2 ZINC000091552077 193072323 /nfs/dbraw/zinc/07/23/23/193072323.db2.gz NXTXVCQFFXUUAP-HUUCEWRRSA-N 1 1 318.425 0.871 50 0 DCAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc(CO)n2)C[C@@H]1CO ZINC000091636431 193082174 /nfs/dbraw/zinc/08/21/74/193082174.db2.gz UCAJEIZSBXZRHL-CHWSQXEVSA-N 1 1 307.394 0.206 50 0 DCAAMO COCCC[C@@]1(CO)CCCN(C(=O)N2CC[NH+](C)CC2)C1 ZINC000091829156 193113585 /nfs/dbraw/zinc/11/35/85/193113585.db2.gz WTJBFJGUQNQWAA-INIZCTEOSA-N 1 1 313.442 0.855 50 0 DCAAMO COCC[C@]1(CO)CCC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000091860059 193118972 /nfs/dbraw/zinc/11/89/72/193118972.db2.gz SZMOOHVOGVSZHO-QGZVFWFLSA-N 1 1 321.421 0.809 50 0 DCAAMO COCC[C@]1(CO)CCC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000091860059 193118974 /nfs/dbraw/zinc/11/89/74/193118974.db2.gz SZMOOHVOGVSZHO-QGZVFWFLSA-N 1 1 321.421 0.809 50 0 DCAAMO CCC[C@H]1CN(c2cc[nH+]c(N)n2)C[C@@H]1NC(=O)CCOC ZINC000091915291 193126062 /nfs/dbraw/zinc/12/60/62/193126062.db2.gz KEOUMVRFSOOMRE-RYUDHWBXSA-N 1 1 307.398 0.816 50 0 DCAAMO Nc1ncccc1C[N@H+]1CC[C@]2(C1)CCCN(CCO)C2=O ZINC000092004578 193140033 /nfs/dbraw/zinc/14/00/33/193140033.db2.gz 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/nfs/dbraw/zinc/31/47/84/182314784.db2.gz AJGAUEAFURGSOT-UHFFFAOYSA-N 1 1 317.187 0.624 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCc1cccs1 ZINC000023105384 182347651 /nfs/dbraw/zinc/34/76/51/182347651.db2.gz ZYNYMULSYCNXRK-UHFFFAOYSA-N 1 1 311.407 0.203 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000040288274 183052294 /nfs/dbraw/zinc/05/22/94/183052294.db2.gz PDSOVUDCPFIMBJ-LBPRGKRZSA-N 1 1 307.398 0.576 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2ccccc2c1=O ZINC000040496631 183081009 /nfs/dbraw/zinc/08/10/09/183081009.db2.gz XGUHPWDVIPPJTP-CQSZACIVSA-N 1 1 314.389 0.997 50 0 DCAAMO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH+]1CCOCC1 ZINC000020294305 284853808 /nfs/dbraw/zinc/85/38/08/284853808.db2.gz IMNQWCOZLJEMEV-GOSISDBHSA-N 1 1 318.417 0.915 50 0 DCAAMO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+](CC)CCO)c1 ZINC000058007151 184066797 /nfs/dbraw/zinc/06/67/97/184066797.db2.gz DVXQBSSMANCWIB-CQSZACIVSA-N 1 1 311.378 0.917 50 0 DCAAMO NC(=O)[C@@H]1CCCC[N@H+]1CCCc1nnnn1-c1ccccc1 ZINC000058131233 184078783 /nfs/dbraw/zinc/07/87/83/184078783.db2.gz CBMBEUBOLYICQT-AWEZNQCLSA-N 1 1 314.393 0.935 50 0 DCAAMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000058421051 184116081 /nfs/dbraw/zinc/11/60/81/184116081.db2.gz NCRLLQIQJBMJGZ-KGLIPLIRSA-N 1 1 305.422 0.988 50 0 DCAAMO CCn1cc[nH+]c1N1CCN(C(=O)c2cn(C)nc2OC)CC1 ZINC000062007452 184200881 /nfs/dbraw/zinc/20/08/81/184200881.db2.gz XLWBUUWJCRCLKU-UHFFFAOYSA-N 1 1 318.381 0.608 50 0 DCAAMO CCn1cnnc1CNC(=O)NC[C@@](C)(CC)[NH+]1CCOCC1 ZINC000065434692 184344830 /nfs/dbraw/zinc/34/48/30/184344830.db2.gz WUEYRKOQZRSYMA-OAHLLOKOSA-N 1 1 324.429 0.598 50 0 DCAAMO NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000065536987 184362311 /nfs/dbraw/zinc/36/23/11/184362311.db2.gz BLRPMIALKXHSPO-LLVKDONJSA-N 1 1 324.406 0.692 50 0 DCAAMO CC[C@@](C)(CNC(=O)N[C@@H](C)c1nncn1C)[NH+]1CCOCC1 ZINC000065566920 184367222 /nfs/dbraw/zinc/36/72/22/184367222.db2.gz QYXUDKSOFXGUEH-WFASDCNBSA-N 1 1 324.429 0.676 50 0 DCAAMO CC(C)c1nccc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000426623188 257245324 /nfs/dbraw/zinc/24/53/24/257245324.db2.gz HPOJBXRDAZCWGE-LBPRGKRZSA-N 1 1 319.409 0.527 50 0 DCAAMO Cc1nc2c([nH]1)CN(C(=O)NCCSc1nnnn1C)CC2 ZINC000426574804 257245782 /nfs/dbraw/zinc/24/57/82/257245782.db2.gz FJCQUZUQMXNROL-UHFFFAOYSA-N 1 1 322.398 0.102 50 0 DCAAMO CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(C)c(OCC[NH3+])c1 ZINC000426535240 257246902 /nfs/dbraw/zinc/24/69/02/257246902.db2.gz UGZXMTNWLHFRPW-HOCLYGCPSA-N 1 1 321.421 0.781 50 0 DCAAMO CO[C@]12CC[N@@H+](CC(N)=O)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426512038 257247391 /nfs/dbraw/zinc/24/73/91/257247391.db2.gz GCNMZOLLHYMRJJ-DVOMOZLQSA-N 1 1 305.378 0.958 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)CC1 ZINC000252475210 257258814 /nfs/dbraw/zinc/25/88/14/257258814.db2.gz VYJHEEPOWIRGTH-SOUVJXGZSA-N 1 1 314.426 0.486 50 0 DCAAMO CN(C)c1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccn1 ZINC000089322966 395709856 /nfs/dbraw/zinc/70/98/56/395709856.db2.gz QYMHVZSJZHURSY-HUUCEWRRSA-N 1 1 318.421 0.819 50 0 DCAAMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCN1c1nccs1 ZINC000089939424 395717063 /nfs/dbraw/zinc/71/70/63/395717063.db2.gz RYNPKSKGADQNJQ-STQMWFEESA-N 1 1 307.423 0.911 50 0 DCAAMO C[NH+]1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 ZINC000033545137 395717604 /nfs/dbraw/zinc/71/76/04/395717604.db2.gz GKUUBGVJQQBCQX-UHFFFAOYSA-N 1 1 300.362 0.561 50 0 DCAAMO Cn1c(=O)c(C(=O)c2ccc(F)cc2)c(C[NH+](C)C)n(C)c1=O ZINC000036357728 395723394 /nfs/dbraw/zinc/72/33/94/395723394.db2.gz PLVTYNABYCVCDX-UHFFFAOYSA-N 1 1 319.336 0.516 50 0 DCAAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000040490106 395734345 /nfs/dbraw/zinc/73/43/45/395734345.db2.gz NIUZIWCOHFOZQB-XHDPSFHLSA-N 1 1 317.389 0.996 50 0 DCAAMO COc1ccnc(N2CCC(c3[nH+]ccn3CC(N)=O)CC2)n1 ZINC000096139298 395746004 /nfs/dbraw/zinc/74/60/04/395746004.db2.gz PLAOLARBRHZPJP-UHFFFAOYSA-N 1 1 316.365 0.551 50 0 DCAAMO CC(C)[N@@H+](C)CCNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000096439892 395753522 /nfs/dbraw/zinc/75/35/22/395753522.db2.gz XIFOLFISWUZWLH-UHFFFAOYSA-N 1 1 309.414 0.842 50 0 DCAAMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2nccn(C)c2=O)C1 ZINC000097375155 395757339 /nfs/dbraw/zinc/75/73/39/395757339.db2.gz FOAFFPAUSKXQFU-LBPRGKRZSA-N 1 1 307.398 0.976 50 0 DCAAMO CC(C)=CC(=O)N1CC[N@@H+](Cc2cnn(C)c2C)C[C@@H](O)C1 ZINC000097394394 395757751 /nfs/dbraw/zinc/75/77/51/395757751.db2.gz YCMAUKNGPMIGMA-OAHLLOKOSA-N 1 1 306.410 0.700 50 0 DCAAMO CC(C)=CC(=O)N1CC[N@H+](Cc2cnn(C)c2C)C[C@@H](O)C1 ZINC000097394394 395757752 /nfs/dbraw/zinc/75/77/52/395757752.db2.gz YCMAUKNGPMIGMA-OAHLLOKOSA-N 1 1 306.410 0.700 50 0 DCAAMO C[C@H](CNC(=O)N[C@@H](C)c1nncn1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106567707 395783338 /nfs/dbraw/zinc/78/33/38/395783338.db2.gz KIUMMGJDGMFOEX-LPWJVIDDSA-N 1 1 324.429 0.673 50 0 DCAAMO C[C@@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000107058937 395784781 /nfs/dbraw/zinc/78/47/81/395784781.db2.gz SYWQYRYUWNNCBH-QMTHXVAHSA-N 1 1 323.418 0.800 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2C)CC1 ZINC000107354840 395785663 /nfs/dbraw/zinc/78/56/63/395785663.db2.gz JPUCDDWRABFHSB-WBMJQRKESA-N 1 1 306.410 0.967 50 0 DCAAMO COc1ccccc1CNC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](O)C1 ZINC000097568867 395758598 /nfs/dbraw/zinc/75/85/98/395758598.db2.gz GALSWPVSLLGMOB-HOCLYGCPSA-N 1 1 308.378 0.129 50 0 DCAAMO COc1ccccc1CNC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](O)C1 ZINC000097568867 395758599 /nfs/dbraw/zinc/75/85/99/395758599.db2.gz GALSWPVSLLGMOB-HOCLYGCPSA-N 1 1 308.378 0.129 50 0 DCAAMO O=C([O-])C[NH+]1CCC2(CC1)CC[N@@H+](Cc1ncc[nH]1)C[C@H]2CO ZINC000097594723 395759444 /nfs/dbraw/zinc/75/94/44/395759444.db2.gz RMHKAARRRMBVBK-ZDUSSCGKSA-N 1 1 322.409 0.391 50 0 DCAAMO O=C([O-])C[NH+]1CCC2(CC1)CC[N@H+](Cc1ncc[nH]1)C[C@H]2CO ZINC000097594723 395759446 /nfs/dbraw/zinc/75/94/46/395759446.db2.gz RMHKAARRRMBVBK-ZDUSSCGKSA-N 1 1 322.409 0.391 50 0 DCAAMO NC(=O)CN1CC[N@H+](Cc2cc3ccccc3o2)C[C@@H](O)C1 ZINC000097813826 395760935 /nfs/dbraw/zinc/76/09/35/395760935.db2.gz JTZREXXVTPOYEZ-CYBMUJFWSA-N 1 1 303.362 0.397 50 0 DCAAMO NC(=O)CN1CC[N@@H+](Cc2cc3ccccc3o2)C[C@@H](O)C1 ZINC000097813826 395760937 /nfs/dbraw/zinc/76/09/37/395760937.db2.gz JTZREXXVTPOYEZ-CYBMUJFWSA-N 1 1 303.362 0.397 50 0 DCAAMO CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000098068218 395761948 /nfs/dbraw/zinc/76/19/48/395761948.db2.gz KWBIMZHWPJEEQC-CYBMUJFWSA-N 1 1 311.426 0.424 50 0 DCAAMO C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCN1CC(F)(F)F ZINC000195547033 395831965 /nfs/dbraw/zinc/83/19/65/395831965.db2.gz LEKPLBJWDRZMGE-WDEREUQCSA-N 1 1 309.332 0.412 50 0 DCAAMO C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCN1CC(F)(F)F ZINC000195547033 395831968 /nfs/dbraw/zinc/83/19/68/395831968.db2.gz LEKPLBJWDRZMGE-WDEREUQCSA-N 1 1 309.332 0.412 50 0 DCAAMO COc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(F)c1F ZINC000219347639 395845338 /nfs/dbraw/zinc/84/53/38/395845338.db2.gz IXVBVGHOMPLDJE-JTQLQIEISA-N 1 1 313.348 0.949 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(Cc2ccsc2)CC1 ZINC000051204657 395848492 /nfs/dbraw/zinc/84/84/92/395848492.db2.gz LTILSCVNBUPWRO-OAHLLOKOSA-N 1 1 323.462 0.849 50 0 DCAAMO COc1ccnc(C(=O)NC2CC[NH+](CCN(C)C)CC2)c1 ZINC000221200445 395850258 /nfs/dbraw/zinc/85/02/58/395850258.db2.gz VJRIQYURZZAUPP-UHFFFAOYSA-N 1 1 306.410 0.846 50 0 DCAAMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000109284616 395797386 /nfs/dbraw/zinc/79/73/86/395797386.db2.gz VXOCZCVOZJMPDT-INIZCTEOSA-N 1 1 320.437 0.882 50 0 DCAAMO C[NH+](C)[C@@H](CNC(=O)NCCN1CCOCC1)c1ccco1 ZINC000047617939 395797640 /nfs/dbraw/zinc/79/76/40/395797640.db2.gz XOPCBTVGJUTPMD-ZDUSSCGKSA-N 1 1 310.398 0.514 50 0 DCAAMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000054483312 395901105 /nfs/dbraw/zinc/90/11/05/395901105.db2.gz KJDVEUMQGRQKHL-HNNXBMFYSA-N 1 1 314.393 0.621 50 0 DCAAMO COCC[N@H+]1CC[C@@H](C(=O)NCCCn2ccccc2=O)C1 ZINC000244898797 395925855 /nfs/dbraw/zinc/92/58/55/395925855.db2.gz ZBSNZWAGJRJCLW-CQSZACIVSA-N 1 1 307.394 0.323 50 0 DCAAMO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000229312641 395874073 /nfs/dbraw/zinc/87/40/73/395874073.db2.gz HQFVOSOXLBMAQP-HWWQOWPSSA-N 1 1 324.425 0.553 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000229560334 395875394 /nfs/dbraw/zinc/87/53/94/395875394.db2.gz HURKSGFQDCUOKR-CWRNSKLLSA-N 1 1 323.437 0.709 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]2C)CC1 ZINC000229828701 395876593 /nfs/dbraw/zinc/87/65/93/395876593.db2.gz WSCYAPICZQFELD-XJKSGUPXSA-N 1 1 322.453 0.092 50 0 DCAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C)CC1 ZINC000229828894 395876754 /nfs/dbraw/zinc/87/67/54/395876754.db2.gz KIIALSPDIRDJSJ-BHYGNILZSA-N 1 1 309.454 0.897 50 0 DCAAMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000246837230 395958636 /nfs/dbraw/zinc/95/86/36/395958636.db2.gz CXARFAHOHLXJRA-YPMHNXCESA-N 1 1 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CC[C@@H]1CN(c2ncnc3c2cnn3C)CC[N@H+]1C[C@H](C)O ZINC000107136548 415659450 /nfs/dbraw/zinc/65/94/50/415659450.db2.gz SXKBSXRTYFNBTA-NWDGAFQWSA-N 1 1 304.398 0.645 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)c2nncn2C)C1 ZINC000107574753 415668561 /nfs/dbraw/zinc/66/85/61/415668561.db2.gz HTUXAQYNYFABCB-OLZOCXBDSA-N 1 1 324.429 0.532 50 0 DCAAMO CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CC(n2nc(C)cc2C)C1 ZINC000299795978 416071897 /nfs/dbraw/zinc/07/18/97/416071897.db2.gz MEFHAMQAOXFAPQ-CQSZACIVSA-N 1 1 319.409 0.094 50 0 DCAAMO CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CC(n2nc(C)cc2C)C1 ZINC000299795978 416071901 /nfs/dbraw/zinc/07/19/01/416071901.db2.gz MEFHAMQAOXFAPQ-CQSZACIVSA-N 1 1 319.409 0.094 50 0 DCAAMO CCCc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)n(C)n1 ZINC000216171411 416327360 /nfs/dbraw/zinc/32/73/60/416327360.db2.gz PZUPZLKDPPGLLX-UHFFFAOYSA-N 1 1 307.442 0.740 50 0 DCAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000243901454 416330475 /nfs/dbraw/zinc/33/04/75/416330475.db2.gz 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CCCCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000058390948 184111146 /nfs/dbraw/zinc/11/11/46/184111146.db2.gz KYSGNWBJYOXOEO-ZDUSSCGKSA-N 1 1 319.471 0.649 50 0 DCAAMO CCCCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000058390948 184111147 /nfs/dbraw/zinc/11/11/47/184111147.db2.gz KYSGNWBJYOXOEO-ZDUSSCGKSA-N 1 1 319.471 0.649 50 0 DCAAMO Cc1ccc(NCCCNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)C3)nc1 ZINC000065420874 184341247 /nfs/dbraw/zinc/34/12/47/184341247.db2.gz WFACHDKFUPCKRV-RHSMWYFYSA-N 1 1 317.437 0.459 50 0 DCAAMO OCCNc1nc(NCC(F)(F)F)cc([C@H]2CCOC2)[nH+]1 ZINC000426546267 257246962 /nfs/dbraw/zinc/24/69/62/257246962.db2.gz VZBCHUSOISHDIW-QMMMGPOBSA-N 1 1 306.288 0.203 50 0 DCAAMO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000069700478 184838276 /nfs/dbraw/zinc/83/82/76/184838276.db2.gz OCRJMGAGSXRBDS-KGLIPLIRSA-N 1 1 320.455 0.299 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000069700478 184838278 /nfs/dbraw/zinc/83/82/78/184838278.db2.gz 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/nfs/dbraw/zinc/71/75/61/395717561.db2.gz QSMKOUHNSVJVGV-UHFFFAOYSA-N 1 1 313.361 0.851 50 0 DCAAMO CCN1C(=O)N[C@@](C)([C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)C1=O ZINC000095402595 395740352 /nfs/dbraw/zinc/74/03/52/395740352.db2.gz JYWZEECPYZPRSG-BZNIZROVSA-N 1 1 322.409 0.307 50 0 DCAAMO Cn1nnnc1COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000096101305 395744429 /nfs/dbraw/zinc/74/44/29/395744429.db2.gz CFRVMWVHFZIZID-UHFFFAOYSA-N 1 1 316.365 0.177 50 0 DCAAMO C[C@@H]1CC[N@@H+](CCCNS(C)(=O)=O)C[C@@H]1n1ccnc1 ZINC000096489090 395754022 /nfs/dbraw/zinc/75/40/22/395754022.db2.gz IHGDPHGCUMHUCB-OLZOCXBDSA-N 1 1 300.428 0.705 50 0 DCAAMO COCc1cccc(C(=O)N2CC[N@H+](C(C)C)C[C@H](O)C2)n1 ZINC000097514391 395758636 /nfs/dbraw/zinc/75/86/36/395758636.db2.gz ILKYFIXGSPZQIX-AWEZNQCLSA-N 1 1 307.394 0.755 50 0 DCAAMO O=C([O-])C[NH+]1CCC2(CC1)CC[N@@H+](Cc1ncc[nH]1)C[C@@H]2CO ZINC000097594724 395759225 /nfs/dbraw/zinc/75/92/25/395759225.db2.gz RMHKAARRRMBVBK-CYBMUJFWSA-N 1 1 322.409 0.391 50 0 DCAAMO O=C([O-])C[NH+]1CCC2(CC1)CC[N@H+](Cc1ncc[nH]1)C[C@@H]2CO ZINC000097594724 395759226 /nfs/dbraw/zinc/75/92/26/395759226.db2.gz RMHKAARRRMBVBK-CYBMUJFWSA-N 1 1 322.409 0.391 50 0 DCAAMO COCC[N@H+]1CC[C@H](C(=O)N(C)Cc2cc(COC)n[nH]2)C1 ZINC000097742958 395760267 /nfs/dbraw/zinc/76/02/67/395760267.db2.gz WHYVWUYRZJUNGE-LBPRGKRZSA-N 1 1 310.398 0.483 50 0 DCAAMO COCC[N@@H+]1CC[C@H](C(=O)N(C)Cc2cc(COC)[nH]n2)C1 ZINC000097742958 395760269 /nfs/dbraw/zinc/76/02/69/395760269.db2.gz WHYVWUYRZJUNGE-LBPRGKRZSA-N 1 1 310.398 0.483 50 0 DCAAMO COCC[N@H+]1CC[C@H](C(=O)N(C)Cc2cc(COC)[nH]n2)C1 ZINC000097742958 395760271 /nfs/dbraw/zinc/76/02/71/395760271.db2.gz WHYVWUYRZJUNGE-LBPRGKRZSA-N 1 1 310.398 0.483 50 0 DCAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Nc1cc[nH]n1 ZINC000101413848 395764138 /nfs/dbraw/zinc/76/41/38/395764138.db2.gz FMOHRHZYUWIUEQ-VXGBXAGGSA-N 1 1 305.382 0.729 50 0 DCAAMO CN(C)CCNc1c(=O)c(=O)c1NCC1([NH+](C)C)CCCCC1 ZINC000101698185 395767092 /nfs/dbraw/zinc/76/70/92/395767092.db2.gz 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ZINC000221441518 395850837 /nfs/dbraw/zinc/85/08/37/395850837.db2.gz SNPLKBPITGJMEM-CQSZACIVSA-N 1 1 307.442 0.795 50 0 DCAAMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000229841844 395876842 /nfs/dbraw/zinc/87/68/42/395876842.db2.gz COWAKUPMGRTIFD-JKSUJKDBSA-N 1 1 322.453 0.753 50 0 DCAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2nccnc2N)ccn1 ZINC000053397454 395882087 /nfs/dbraw/zinc/88/20/87/395882087.db2.gz NKJUMHGKFAQTEX-UHFFFAOYSA-N 1 1 309.333 0.878 50 0 DCAAMO Nc1ncc(Cl)cc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246496389 395951610 /nfs/dbraw/zinc/95/16/10/395951610.db2.gz AZJAKNAIVYZLPC-JTQLQIEISA-N 1 1 316.814 0.786 50 0 DCAAMO CCCn1[nH]ccc1=NC(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000254498566 396031381 /nfs/dbraw/zinc/03/13/81/396031381.db2.gz DCGKJTGVDCTDSW-KGLIPLIRSA-N 1 1 323.441 0.040 50 0 DCAAMO CCCn1[nH]ccc1=NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000254498566 396031382 /nfs/dbraw/zinc/03/13/82/396031382.db2.gz DCGKJTGVDCTDSW-KGLIPLIRSA-N 1 1 323.441 0.040 50 0 DCAAMO Cc1ccc(C[N@H+](C)CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[NH+](C)C2)cc1 ZINC000252495578 396021491 /nfs/dbraw/zinc/02/14/91/396021491.db2.gz OTVPZCOHZVYYAI-GJZGRUSLSA-N 1 1 319.405 0.700 50 0 DCAAMO Cc1ccc(C[N@@H+](C)CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[NH+](C)C2)cc1 ZINC000252495578 396021494 /nfs/dbraw/zinc/02/14/94/396021494.db2.gz OTVPZCOHZVYYAI-GJZGRUSLSA-N 1 1 319.405 0.700 50 0 DCAAMO Cc1ccc(C[NH+](C)CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@H+](C)C2)cc1 ZINC000252495578 396021497 /nfs/dbraw/zinc/02/14/97/396021497.db2.gz OTVPZCOHZVYYAI-GJZGRUSLSA-N 1 1 319.405 0.700 50 0 DCAAMO Cc1ccc(C[NH+](C)CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)cc1 ZINC000252495578 396021500 /nfs/dbraw/zinc/02/15/00/396021500.db2.gz OTVPZCOHZVYYAI-GJZGRUSLSA-N 1 1 319.405 0.700 50 0 DCAAMO C[C@H](O)C[NH+]1CCN(CC(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000069656478 396086435 /nfs/dbraw/zinc/08/64/35/396086435.db2.gz NKFGAIMAYWYSMZ-AWEZNQCLSA-N 1 1 323.412 0.783 50 0 DCAAMO Cc1cc(C[N@@H+](C)[C@H]2CCc3nn(C)c(=O)n3CC2)n(C)n1 ZINC000169783351 396091893 /nfs/dbraw/zinc/09/18/93/396091893.db2.gz SCTSHDKGWLNPHF-LBPRGKRZSA-N 1 1 304.398 0.461 50 0 DCAAMO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)N2CCNC2=O)n1 ZINC000069897957 396093782 /nfs/dbraw/zinc/09/37/82/396093782.db2.gz HGNWVPSYWNOJMS-CQSZACIVSA-N 1 1 319.409 0.906 50 0 DCAAMO Cc1nccc(C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)n1 ZINC000069894551 396093806 /nfs/dbraw/zinc/09/38/06/396093806.db2.gz XJZGTESOCHZFFL-CQSZACIVSA-N 1 1 306.410 0.950 50 0 DCAAMO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H]2Cn2cncn2)C1=O ZINC000069920037 396094311 /nfs/dbraw/zinc/09/43/11/396094311.db2.gz OJXXWZQDMAFYBS-NSHDSACASA-N 1 1 306.370 0.073 50 0 DCAAMO COc1ccccc1OCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000071795929 396115510 /nfs/dbraw/zinc/11/55/10/396115510.db2.gz LXIDPKWCOITFSU-UHFFFAOYSA-N 1 1 321.377 0.140 50 0 DCAAMO C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000071877160 396121125 /nfs/dbraw/zinc/12/11/25/396121125.db2.gz ZPDHBEFMPABERU-FUHWJXTLSA-N 1 1 321.465 0.478 50 0 DCAAMO C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000071877160 396121129 /nfs/dbraw/zinc/12/11/29/396121129.db2.gz ZPDHBEFMPABERU-FUHWJXTLSA-N 1 1 321.465 0.478 50 0 DCAAMO O=C(CC[N@H+]1CCCC[C@@H]1Cn1cncn1)N1CCOCC1 ZINC000071876371 396121369 /nfs/dbraw/zinc/12/13/69/396121369.db2.gz URSQOAYUJKAUNG-CQSZACIVSA-N 1 1 307.398 0.382 50 0 DCAAMO Cc1nc(CN2CCC[N@@H+](C[C@H](O)Cn3cccn3)CC2)no1 ZINC000071877591 396121675 /nfs/dbraw/zinc/12/16/75/396121675.db2.gz GCIWCJOLLGIFHA-AWEZNQCLSA-N 1 1 320.397 0.143 50 0 DCAAMO C[C@@](O)(CNC(=O)c1cccc2c1OCO2)C[NH+]1CCOCC1 ZINC000072306607 396130979 /nfs/dbraw/zinc/13/09/79/396130979.db2.gz ZWAZHOHZCGHJTD-MRXNPFEDSA-N 1 1 322.361 0.228 50 0 DCAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000069530673 396081874 /nfs/dbraw/zinc/08/18/74/396081874.db2.gz XIBDXAPXLQHMJH-CYBMUJFWSA-N 1 1 300.366 0.876 50 0 DCAAMO Cc1cc(NC(=O)CN2CC[NH+](CCO)CC2)n(C(C)(C)C)n1 ZINC000069631814 396085570 /nfs/dbraw/zinc/08/55/70/396085570.db2.gz KNSZQPQLFWGLOT-UHFFFAOYSA-N 1 1 323.441 0.495 50 0 DCAAMO Cc1ccc(F)c(-n2nnnc2CNC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000075133287 396176839 /nfs/dbraw/zinc/17/68/39/396176839.db2.gz NNHCLFWVSNDTQW-GFCCVEGCSA-N 1 1 320.372 0.530 50 0 DCAAMO Cc1ccc(F)c(-n2nnnc2CNC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000075133287 396176841 /nfs/dbraw/zinc/17/68/41/396176841.db2.gz NNHCLFWVSNDTQW-GFCCVEGCSA-N 1 1 320.372 0.530 50 0 DCAAMO Cc1ccc(F)c(-n2nnnc2C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000075133287 396176843 /nfs/dbraw/zinc/17/68/43/396176843.db2.gz NNHCLFWVSNDTQW-GFCCVEGCSA-N 1 1 320.372 0.530 50 0 DCAAMO COC(=O)C(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078079882 396238952 /nfs/dbraw/zinc/23/89/52/396238952.db2.gz ZJZIAVZOSYPMJJ-AWEZNQCLSA-N 1 1 320.389 0.955 50 0 DCAAMO COC(=O)C(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078079882 396238955 /nfs/dbraw/zinc/23/89/55/396238955.db2.gz ZJZIAVZOSYPMJJ-AWEZNQCLSA-N 1 1 320.389 0.955 50 0 DCAAMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCOC)C2)cn1 ZINC000078532899 396247384 /nfs/dbraw/zinc/24/73/84/396247384.db2.gz VKEXDVXMRNFZDZ-LBPRGKRZSA-N 1 1 316.427 0.292 50 0 DCAAMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCOC)C2)cn1 ZINC000078532899 396247386 /nfs/dbraw/zinc/24/73/86/396247386.db2.gz VKEXDVXMRNFZDZ-LBPRGKRZSA-N 1 1 316.427 0.292 50 0 DCAAMO C[N@H+]1CCOC[C@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC000584885618 396632298 /nfs/dbraw/zinc/63/22/98/396632298.db2.gz MGLXTMHSJLJXJK-SNVBAGLBSA-N 1 1 306.366 0.368 50 0 DCAAMO CCc1noc(CCNC(=O)C[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000584885470 396632375 /nfs/dbraw/zinc/63/23/75/396632375.db2.gz SFGABHYDXQVTKH-GFCCVEGCSA-N 1 1 310.398 0.790 50 0 DCAAMO CCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000584898580 396635823 /nfs/dbraw/zinc/63/58/23/396635823.db2.gz KMBHSGCHEPWFLL-LBPRGKRZSA-N 1 1 308.382 0.892 50 0 DCAAMO C[N@H+]1CCOC[C@@H](CNC(=O)c2ccc3[nH]c(CO)nc3c2)C1 ZINC000584903288 396637361 /nfs/dbraw/zinc/63/73/61/396637361.db2.gz OFOIXHBFXRTHGV-NSHDSACASA-N 1 1 318.377 0.363 50 0 DCAAMO 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193112373 /nfs/dbraw/zinc/11/23/73/193112373.db2.gz SRDLQZOXKYSYEN-OLZOCXBDSA-N 1 1 324.425 0.960 50 0 DCAAMO Cc1nccnc1N1C[C@H](CO)[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091876885 193121605 /nfs/dbraw/zinc/12/16/05/193121605.db2.gz ZKJAHTJEOMIAPL-OCVGTWLNSA-N 1 1 320.437 0.939 50 0 DCAAMO C[C@H](C(=O)N1CC[NH+](C)CC1)N1C(=O)c2ccccc2C1=O ZINC000019314406 182114237 /nfs/dbraw/zinc/11/42/37/182114237.db2.gz FZCGIRNYLGVUGK-LLVKDONJSA-N 1 1 301.346 0.445 50 0 DCAAMO O=C1C=C(N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019831735 182154913 /nfs/dbraw/zinc/15/49/13/182154913.db2.gz VFNKAOYNIODWLZ-UHFFFAOYSA-N 1 1 319.336 0.193 50 0 DCAAMO C[C@H]1CCc2nn(CC(=O)NCCC[NH+]3CCOCC3)cc2C1 ZINC000020415901 182215683 /nfs/dbraw/zinc/21/56/83/182215683.db2.gz VKRFGMOQABWLTQ-AWEZNQCLSA-N 1 1 320.437 0.846 50 0 DCAAMO COc1ccccc1OC[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000020819605 182247862 /nfs/dbraw/zinc/24/78/62/182247862.db2.gz IJWOTKAOBJCXNC-AWEZNQCLSA-N 1 1 310.394 0.045 50 0 DCAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cccnc1 ZINC000040490224 183080024 /nfs/dbraw/zinc/08/00/24/183080024.db2.gz MRONVTYCXJVCEC-HIFRSBDPSA-N 1 1 320.393 0.940 50 0 DCAAMO CC(C)Oc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cn1 ZINC000043008281 183327027 /nfs/dbraw/zinc/32/70/27/183327027.db2.gz ZSSIZRALAMLDAG-UHFFFAOYSA-N 1 1 320.393 0.548 50 0 DCAAMO C[C@H](CNC(=O)NCCc1cnn(C)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106100871 194185039 /nfs/dbraw/zinc/18/50/39/194185039.db2.gz ZWOSCXNMWZCCPZ-MCIONIFRSA-N 1 1 323.441 0.760 50 0 DCAAMO C[C@H](CNC(=O)NCCc1cnn(C)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106100871 194185040 /nfs/dbraw/zinc/18/50/40/194185040.db2.gz ZWOSCXNMWZCCPZ-MCIONIFRSA-N 1 1 323.441 0.760 50 0 DCAAMO C[C@@H]1C[NH+](C[C@@H](O)CN2CCc3cncnc3C2)C[C@@H](C)O1 ZINC000106666164 194242453 /nfs/dbraw/zinc/24/24/53/194242453.db2.gz LGNGDBSFWFBMTA-NFAWXSAZSA-N 1 1 306.410 0.305 50 0 DCAAMO Cc1nc(-n2cccn2)cc(NCCNC(=O)c2ncccn2)[nH+]1 ZINC000056906756 184021012 /nfs/dbraw/zinc/02/10/12/184021012.db2.gz WANUHJQSTBMYGK-UHFFFAOYSA-N 1 1 324.348 0.603 50 0 DCAAMO O=C(NC[C@@H](O)COC1CCCCC1)c1cc2n(n1)CC[NH2+]C2 ZINC000065382841 184332924 /nfs/dbraw/zinc/33/29/24/184332924.db2.gz XVKFYKAJMDQINM-CYBMUJFWSA-N 1 1 322.409 0.426 50 0 DCAAMO O=C(NCc1cn2c(n1)SCC2)c1cc2n(n1)CC[NH2+]C2 ZINC000065426915 184342762 /nfs/dbraw/zinc/34/27/62/184342762.db2.gz RRGFMIATXMZIFC-UHFFFAOYSA-N 1 1 304.379 0.219 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000044869188 285259228 /nfs/dbraw/zinc/25/92/28/285259228.db2.gz UTEBLFAJAZHTCT-OLZOCXBDSA-N 1 1 317.455 0.401 50 0 DCAAMO CCO[C@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CSC[NH2+]1)CC2 ZINC000236960586 257239357 /nfs/dbraw/zinc/23/93/57/257239357.db2.gz BVOAQLUUGHRSJE-WOPDTQHZSA-N 1 1 300.424 0.427 50 0 DCAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cncc(=O)[nH]1 ZINC000426596674 257245809 /nfs/dbraw/zinc/24/58/09/257245809.db2.gz WXPLYGBRGUSLAI-AWEZNQCLSA-N 1 1 312.373 0.899 50 0 DCAAMO COc1cccc(C(=O)N2CCN[C@H](C)C2)c1OCCC[NH3+] ZINC000426424173 257250422 /nfs/dbraw/zinc/25/04/22/257250422.db2.gz ASXZLIVDYHAIDU-GFCCVEGCSA-N 1 1 307.394 0.857 50 0 DCAAMO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000252512520 257258219 /nfs/dbraw/zinc/25/82/19/257258219.db2.gz RUVZQKZRUFNIIH-CHWSQXEVSA-N 1 1 317.455 0.595 50 0 DCAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000252512520 257258221 /nfs/dbraw/zinc/25/82/21/257258221.db2.gz RUVZQKZRUFNIIH-CHWSQXEVSA-N 1 1 317.455 0.595 50 0 DCAAMO Cn1cc(NC(=O)[C@H]2CSC[NH2+]2)cc(Br)c1=O ZINC000121953746 195380836 /nfs/dbraw/zinc/38/08/36/195380836.db2.gz AQVZTNPUIYZYBI-MRVPVSSYSA-N 1 1 318.196 0.749 50 0 DCAAMO CCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 ZINC000013371048 395688601 /nfs/dbraw/zinc/68/86/01/395688601.db2.gz BVXIPOUPRIUMDO-UWVGGRQHSA-N 1 1 323.461 0.687 50 0 DCAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000000049005 395679635 /nfs/dbraw/zinc/67/96/35/395679635.db2.gz UUTRTANIEOWWSJ-ZDUSSCGKSA-N 1 1 319.336 0.655 50 0 DCAAMO CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@H]12)C(C)C ZINC000001661197 395681206 /nfs/dbraw/zinc/68/12/06/395681206.db2.gz LMFKRLGHEKVMNT-DSRCVFDASA-N 1 1 313.394 0.327 50 0 biogenic DCAAMO COc1ccc(CCNC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000085466901 395700985 /nfs/dbraw/zinc/70/09/85/395700985.db2.gz SZZULMMUVNPNCH-AWEZNQCLSA-N 1 1 321.421 0.946 50 0 DCAAMO Cc1ccccc1OCC(=O)N1CCOC[C@H]1C[N@@H+](C)CCO ZINC000085469964 395701116 /nfs/dbraw/zinc/70/11/16/395701116.db2.gz CLWWDNJCQAHIRR-OAHLLOKOSA-N 1 1 322.405 0.525 50 0 DCAAMO CC(=O)N(Cc1ncc(C)o1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000089702325 395714542 /nfs/dbraw/zinc/71/45/42/395714542.db2.gz FPLNDOWSTYEJAZ-CQSZACIVSA-N 1 1 318.381 0.698 50 0 DCAAMO O=C(CCN1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000089884965 395715902 /nfs/dbraw/zinc/71/59/02/395715902.db2.gz SXYYUNVWONGQFF-UHFFFAOYSA-N 1 1 304.394 0.453 50 0 DCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000089938199 395717245 /nfs/dbraw/zinc/71/72/45/395717245.db2.gz INAVXDMRLCAHTD-JTQLQIEISA-N 1 1 312.395 0.653 50 0 DCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000089938199 395717246 /nfs/dbraw/zinc/71/72/46/395717246.db2.gz INAVXDMRLCAHTD-JTQLQIEISA-N 1 1 312.395 0.653 50 0 DCAAMO NC(=O)C1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000034781811 395718144 /nfs/dbraw/zinc/71/81/44/395718144.db2.gz DTDWTAKHTYWEHY-UHFFFAOYSA-N 1 1 301.390 0.769 50 0 DCAAMO NC(=O)C1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000034781811 395718147 /nfs/dbraw/zinc/71/81/47/395718147.db2.gz DTDWTAKHTYWEHY-UHFFFAOYSA-N 1 1 301.390 0.769 50 0 DCAAMO O=C(CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)NC[C@H]1CCCO1 ZINC000035485338 395720857 /nfs/dbraw/zinc/72/08/57/395720857.db2.gz BLGNNNCFVIPVRR-CABCVRRESA-N 1 1 317.389 0.112 50 0 DCAAMO Cc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)nc(C)[nH+]1 ZINC000040490471 395734182 /nfs/dbraw/zinc/73/41/82/395734182.db2.gz PXVULBAHPZROBX-UHFFFAOYSA-N 1 1 319.409 0.074 50 0 DCAAMO CC(C)N1CCC[C@@H]([NH+]2CCN(Cc3ccnn3C)CC2)C1=O ZINC000095999470 395741202 /nfs/dbraw/zinc/74/12/02/395741202.db2.gz UKSRQEWVBLPYSP-MRXNPFEDSA-N 1 1 319.453 0.937 50 0 DCAAMO O=C(Nc1cccnc1)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096422122 395753393 /nfs/dbraw/zinc/75/33/93/395753393.db2.gz SEBLEXMEDDEHGQ-NWANDNLSSA-N 1 1 314.389 0.963 50 0 DCAAMO CN(C(=O)C[N@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC000096441635 395753396 /nfs/dbraw/zinc/75/33/96/395753396.db2.gz IKMPWSWMQRTHLM-JTQLQIEISA-N 1 1 321.343 0.998 50 0 DCAAMO Cc1cccn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1=O ZINC000096455271 395753769 /nfs/dbraw/zinc/75/37/69/395753769.db2.gz JOXGBPKRQVKWNL-OAHLLOKOSA-N 1 1 321.421 0.630 50 0 DCAAMO CC[N@@H+]1CCCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000096476645 395754045 /nfs/dbraw/zinc/75/40/45/395754045.db2.gz ZFTOAMJBMWKBBQ-UHFFFAOYSA-N 1 1 310.379 0.939 50 0 DCAAMO CC[N@H+]1CCCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000096476645 395754046 /nfs/dbraw/zinc/75/40/46/395754046.db2.gz ZFTOAMJBMWKBBQ-UHFFFAOYSA-N 1 1 310.379 0.939 50 0 DCAAMO C[N@H+](CCn1cnnc1)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000096466230 395754074 /nfs/dbraw/zinc/75/40/74/395754074.db2.gz DEIODAIUSBAQII-CQSZACIVSA-N 1 1 315.377 0.330 50 0 DCAAMO C[N@@H+](CCn1cnnc1)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000096466230 395754077 /nfs/dbraw/zinc/75/40/77/395754077.db2.gz DEIODAIUSBAQII-CQSZACIVSA-N 1 1 315.377 0.330 50 0 DCAAMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cnccn1 ZINC000097237870 395756573 /nfs/dbraw/zinc/75/65/73/395756573.db2.gz NYRGTESWVYFOAC-HNNXBMFYSA-N 1 1 312.373 0.973 50 0 DCAAMO COc1cccc(C)c1C(=O)N1CC[N@H+](CCO)C[C@@H](O)C1 ZINC000097522118 395758496 /nfs/dbraw/zinc/75/84/96/395758496.db2.gz YFYUSTBRNRWZSI-CYBMUJFWSA-N 1 1 308.378 0.115 50 0 DCAAMO COc1cccc(C)c1C(=O)N1CC[N@@H+](CCO)C[C@@H](O)C1 ZINC000097522118 395758499 /nfs/dbraw/zinc/75/84/99/395758499.db2.gz YFYUSTBRNRWZSI-CYBMUJFWSA-N 1 1 308.378 0.115 50 0 DCAAMO O=C(c1cccs1)N1CCC([N@@H+]2CCNC[C@@H](O)C2)CC1 ZINC000097515205 395758586 /nfs/dbraw/zinc/75/85/86/395758586.db2.gz GSBXLZXLWOUSLU-CYBMUJFWSA-N 1 1 309.435 0.619 50 0 DCAAMO O=C(c1cccs1)N1CCC([N@H+]2CCNC[C@@H](O)C2)CC1 ZINC000097515205 395758587 /nfs/dbraw/zinc/75/85/87/395758587.db2.gz GSBXLZXLWOUSLU-CYBMUJFWSA-N 1 1 309.435 0.619 50 0 DCAAMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCCCC1 ZINC000046502683 395778098 /nfs/dbraw/zinc/77/80/98/395778098.db2.gz BGNULIHQPYCTET-OAHLLOKOSA-N 1 1 323.437 0.712 50 0 DCAAMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCc2ccnn2C)C[C@H](C)O1 ZINC000195077439 395815292 /nfs/dbraw/zinc/81/52/92/395815292.db2.gz MCRULNYNDWUIHZ-OKILXGFUSA-N 1 1 323.441 0.713 50 0 DCAAMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCCc2ccnn2C)C[C@H](C)O1 ZINC000195077439 395815296 /nfs/dbraw/zinc/81/52/96/395815296.db2.gz MCRULNYNDWUIHZ-OKILXGFUSA-N 1 1 323.441 0.713 50 0 DCAAMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)Cc2noc(C3CC3)n2)C1 ZINC000221796394 395850953 /nfs/dbraw/zinc/85/09/53/395850953.db2.gz XIISANZGPUGSJR-CHWSQXEVSA-N 1 1 310.398 0.460 50 0 DCAAMO CC[NH+]1CCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000055009899 395908915 /nfs/dbraw/zinc/90/89/15/395908915.db2.gz WAZAZDYOSFWQSD-UHFFFAOYSA-N 1 1 301.188 0.960 50 0 DCAAMO CCCCN(CCCCO)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055153611 395912193 /nfs/dbraw/zinc/91/21/93/395912193.db2.gz JITXKWLBDLDVOB-CQSZACIVSA-N 1 1 313.442 0.585 50 0 DCAAMO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229476801 395874625 /nfs/dbraw/zinc/87/46/25/395874625.db2.gz ZKVJFYFTQLADDN-CHWSQXEVSA-N 1 1 315.381 0.807 50 0 DCAAMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229476801 395874626 /nfs/dbraw/zinc/87/46/26/395874626.db2.gz ZKVJFYFTQLADDN-CHWSQXEVSA-N 1 1 315.381 0.807 50 0 DCAAMO C[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+]1CCCC[C@H]1C ZINC000060894708 395965191 /nfs/dbraw/zinc/96/51/91/395965191.db2.gz YGBVPAKDEUUOHY-AGIUHOORSA-N 1 1 317.455 0.736 50 0 DCAAMO NC(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247714393 395978094 /nfs/dbraw/zinc/97/80/94/395978094.db2.gz MIAJHDXMCCTJRD-YPMHNXCESA-N 1 1 303.362 0.434 50 0 DCAAMO C[NH+]1CCN(NC(=O)c2ccc(OC[C@H]3CCCO3)nc2)CC1 ZINC000253472568 396029625 /nfs/dbraw/zinc/02/96/25/396029625.db2.gz NPXYQBLCABNWDO-CQSZACIVSA-N 1 1 320.393 0.532 50 0 DCAAMO Cc1nc2c(cccc2C(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)[nH]1 ZINC000067742846 396032514 /nfs/dbraw/zinc/03/25/14/396032514.db2.gz HERKKVLLJUXVAD-STQMWFEESA-N 1 1 313.405 0.989 50 0 DCAAMO Cc1nc2c(cccc2C(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)[nH]1 ZINC000067742846 396032515 /nfs/dbraw/zinc/03/25/15/396032515.db2.gz HERKKVLLJUXVAD-STQMWFEESA-N 1 1 313.405 0.989 50 0 DCAAMO Cc1nc2c(cccc2C(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)[nH]1 ZINC000067742846 396032517 /nfs/dbraw/zinc/03/25/17/396032517.db2.gz HERKKVLLJUXVAD-STQMWFEESA-N 1 1 313.405 0.989 50 0 DCAAMO O=C1N(Cc2ccccc2F)CCC[C@@]1(O)C[NH+]1CC(O)C1 ZINC000067772512 396033337 /nfs/dbraw/zinc/03/33/37/396033337.db2.gz LFTZMNKSDKTYAB-MRXNPFEDSA-N 1 1 308.353 0.356 50 0 DCAAMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000257181743 396034232 /nfs/dbraw/zinc/03/42/32/396034232.db2.gz FXCDQEGNRLSQJY-JKSUJKDBSA-N 1 1 314.389 0.492 50 0 DCAAMO OC[C@H](O)C[N@@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000067967117 396040551 /nfs/dbraw/zinc/04/05/51/396040551.db2.gz JVXULXFKSCIDOB-OAHLLOKOSA-N 1 1 316.405 0.275 50 0 DCAAMO CCOC(=O)N[C@@H]1CCC[N@@H+](CCCC(=O)NC(=O)NC)C1 ZINC000068960389 396067413 /nfs/dbraw/zinc/06/74/13/396067413.db2.gz PDIKVDXFVVJMLM-LLVKDONJSA-N 1 1 314.386 0.433 50 0 DCAAMO CCOCC[N@@H+]1CCN(CC(=O)Nc2cc(C)nn2C)C[C@@H]1C ZINC000069842257 396091734 /nfs/dbraw/zinc/09/17/34/396091734.db2.gz JYNXTBJIRVAFKT-AWEZNQCLSA-N 1 1 323.441 0.710 50 0 DCAAMO CCOCC[N@H+]1CCN(CC(=O)Nc2cc(C)nn2C)C[C@@H]1C ZINC000069842257 396091737 /nfs/dbraw/zinc/09/17/37/396091737.db2.gz JYNXTBJIRVAFKT-AWEZNQCLSA-N 1 1 323.441 0.710 50 0 DCAAMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069902511 396094246 /nfs/dbraw/zinc/09/42/46/396094246.db2.gz LEKVPOREJWTONZ-CYBMUJFWSA-N 1 1 324.392 0.975 50 0 DCAAMO C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CC[N@@H+]1CCO ZINC000170085782 396094439 /nfs/dbraw/zinc/09/44/39/396094439.db2.gz SCQFQGSXIBIZQR-SECBINFHSA-N 1 1 316.199 0.916 50 0 DCAAMO C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CC[N@H+]1CCO ZINC000170085782 396094442 /nfs/dbraw/zinc/09/44/42/396094442.db2.gz SCQFQGSXIBIZQR-SECBINFHSA-N 1 1 316.199 0.916 50 0 DCAAMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000069930124 396095743 /nfs/dbraw/zinc/09/57/43/396095743.db2.gz VFJWRUCQWOJQLM-AWEZNQCLSA-N 1 1 317.397 0.135 50 0 DCAAMO CC(C)(C(=O)N1CCC2(CC1)[NH2+]CCNC2=O)n1cccc1 ZINC000071314956 396112380 /nfs/dbraw/zinc/11/23/80/396112380.db2.gz JNEFBCMMSCTFNZ-UHFFFAOYSA-N 1 1 304.394 0.304 50 0 DCAAMO COCC[N@@H+]1CCN(CC(=O)NCCc2ccccc2)C[C@H]1C ZINC000071864755 396119330 /nfs/dbraw/zinc/11/93/30/396119330.db2.gz RKYDLLKYBQDFIQ-MRXNPFEDSA-N 1 1 319.449 0.998 50 0 DCAAMO COCC[N@H+]1CCN(CC(=O)NCCc2ccccc2)C[C@H]1C ZINC000071864755 396119333 /nfs/dbraw/zinc/11/93/33/396119333.db2.gz RKYDLLKYBQDFIQ-MRXNPFEDSA-N 1 1 319.449 0.998 50 0 DCAAMO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1nnnn1C1CC1)CC2 ZINC000071871819 396120617 /nfs/dbraw/zinc/12/06/17/396120617.db2.gz MPMSACIHWGFBGK-SNVBAGLBSA-N 1 1 302.386 0.828 50 0 DCAAMO CN(C)C(=O)Cc1nc(C[NH2+][C@@H]2CCc3ncnn3C2)cs1 ZINC000072267456 396128010 /nfs/dbraw/zinc/12/80/10/396128010.db2.gz GXSOZQMEBAQAJB-SNVBAGLBSA-N 1 1 320.422 0.470 50 0 DCAAMO CCn1ccnc1CN1CC[NH+](CCN2CCCC2=O)CC1 ZINC000069385046 396076678 /nfs/dbraw/zinc/07/66/78/396076678.db2.gz IQZNKNODCNHGNQ-UHFFFAOYSA-N 1 1 305.426 0.643 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCC(=O)N2CCOCC2)n1 ZINC000069493275 396080420 /nfs/dbraw/zinc/08/04/20/396080420.db2.gz WYYNXNSZRDIKEA-HNNXBMFYSA-N 1 1 321.425 0.608 50 0 DCAAMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCc3cncnc3C2)C[C@H](C)O1 ZINC000069626598 396085264 /nfs/dbraw/zinc/08/52/64/396085264.db2.gz LGNGDBSFWFBMTA-VNHYZAJKSA-N 1 1 306.410 0.305 50 0 DCAAMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCc3cncnc3C2)C[C@H](C)O1 ZINC000069626598 396085265 /nfs/dbraw/zinc/08/52/65/396085265.db2.gz LGNGDBSFWFBMTA-VNHYZAJKSA-N 1 1 306.410 0.305 50 0 DCAAMO CC(=O)N1CCCC[C@@H]1CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000075603022 396182575 /nfs/dbraw/zinc/18/25/75/396182575.db2.gz VIKVLTMTGDSQFW-UKRRQHHQSA-N 1 1 311.426 0.303 50 0 DCAAMO COC(=O)C(C)(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078079885 396238812 /nfs/dbraw/zinc/23/88/12/396238812.db2.gz ZJZIAVZOSYPMJJ-CQSZACIVSA-N 1 1 320.389 0.955 50 0 DCAAMO COC(=O)C(C)(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078079885 396238816 /nfs/dbraw/zinc/23/88/16/396238816.db2.gz ZJZIAVZOSYPMJJ-CQSZACIVSA-N 1 1 320.389 0.955 50 0 DCAAMO O=C(N[C@@H]1CC[N@@H+](C2CCOCC2)C[C@H]1O)c1cccnc1 ZINC000077459342 396223265 /nfs/dbraw/zinc/22/32/65/396223265.db2.gz ICSXBXKDQOWIOL-HUUCEWRRSA-N 1 1 305.378 0.426 50 0 DCAAMO O=C(Cn1ccnc1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000077520933 396224908 /nfs/dbraw/zinc/22/49/08/396224908.db2.gz LXAMBDWGFDBBFV-OAHLLOKOSA-N 1 1 306.410 0.987 50 0 DCAAMO C[N@H+]1CCOC[C@@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC000584885617 396632002 /nfs/dbraw/zinc/63/20/02/396632002.db2.gz MGLXTMHSJLJXJK-JTQLQIEISA-N 1 1 306.366 0.368 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)N[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000584902378 396637354 /nfs/dbraw/zinc/63/73/54/396637354.db2.gz IZMZYVAEAOLJCM-HNNXBMFYSA-N 1 1 316.405 0.824 50 0 DCAAMO Cc1ccc(N2CCC[N@@H+](C[C@@H](O)Cn3cccn3)CC2)nn1 ZINC000247193677 287091812 /nfs/dbraw/zinc/09/18/12/287091812.db2.gz OILCZFCKXCKSAI-OAHLLOKOSA-N 1 1 316.409 0.555 50 0 DCAAMO COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000007448539 415141706 /nfs/dbraw/zinc/14/17/06/415141706.db2.gz VPTAAHYHWJNCFX-CQSZACIVSA-N 1 1 319.405 0.551 50 0 DCAAMO C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+](C)C)N1CCOCC1 ZINC000044949270 415238644 /nfs/dbraw/zinc/23/86/44/415238644.db2.gz PIBVQLIEQPUJRY-UONOGXRCSA-N 1 1 324.425 0.902 50 0 DCAAMO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](CCO)CC1 ZINC000045311414 415247954 /nfs/dbraw/zinc/24/79/54/415247954.db2.gz HUPBECCXLYMEST-GFCCVEGCSA-N 1 1 302.378 0.594 50 0 DCAAMO O=c1cc(CN2CC[NH+](Cc3ccsc3)CC2)[nH]c(=O)[nH]1 ZINC000044874310 415229867 /nfs/dbraw/zinc/22/98/67/415229867.db2.gz AJSVAKCJMDLYET-UHFFFAOYSA-N 1 1 306.391 0.443 50 0 DCAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCCc1ccc2c(c1)OCCO2 ZINC000048301555 415292303 /nfs/dbraw/zinc/29/23/03/415292303.db2.gz YZUFPCNPGIEWLJ-CQSZACIVSA-N 1 1 320.389 0.573 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCCc1ccc2c(c1)OCCO2 ZINC000048301555 415292306 /nfs/dbraw/zinc/29/23/06/415292306.db2.gz YZUFPCNPGIEWLJ-CQSZACIVSA-N 1 1 320.389 0.573 50 0 DCAAMO CCCC[N@H+](CCN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000066559267 415362643 /nfs/dbraw/zinc/36/26/43/415362643.db2.gz VMRNCLKWZNEULG-CYBMUJFWSA-N 1 1 302.440 0.898 50 0 DCAAMO CCCC[N@@H+](CCN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000066559267 415362650 /nfs/dbraw/zinc/36/26/50/415362650.db2.gz VMRNCLKWZNEULG-CYBMUJFWSA-N 1 1 302.440 0.898 50 0 DCAAMO CC[NH+]1CCN(Cc2cc(C(=O)N3CC[C@@H](O)C3)no2)CC1 ZINC000067724103 415383702 /nfs/dbraw/zinc/38/37/02/415383702.db2.gz QWGWNYNSCIHBHO-GFCCVEGCSA-N 1 1 308.382 0.019 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000075602898 415447076 /nfs/dbraw/zinc/44/70/76/415447076.db2.gz SITIEBBGDQFBMC-CYBMUJFWSA-N 1 1 315.377 0.406 50 0 DCAAMO Cc1cccn2cc(CC(=O)N3CC[NH+](C[C@H](C)O)CC3)nc12 ZINC000075603004 415448446 /nfs/dbraw/zinc/44/84/46/415448446.db2.gz ZQASYDNYDVBOBZ-AWEZNQCLSA-N 1 1 316.405 0.710 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1 ZINC000075606108 415451804 /nfs/dbraw/zinc/45/18/04/415451804.db2.gz KCFYWGHHRKZYLD-CQSZACIVSA-N 1 1 317.393 0.566 50 0 DCAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc[nH]2)C1 ZINC000091434074 415534950 /nfs/dbraw/zinc/53/49/50/415534950.db2.gz PJTLSQGCFZEOJC-KGLIPLIRSA-N 1 1 309.410 0.664 50 0 DCAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000095367214 415554511 /nfs/dbraw/zinc/55/45/11/415554511.db2.gz QFCXLGZHOBRPIQ-NSHDSACASA-N 1 1 307.398 0.275 50 0 DCAAMO CC1(C)CN=C(N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)S1 ZINC000095409815 415556202 /nfs/dbraw/zinc/55/62/02/415556202.db2.gz DCFFHVSIONJCPS-ZDUSSCGKSA-N 1 1 323.466 0.743 50 0 DCAAMO Cc1nc2ncccc2c(NCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000095387426 415556597 /nfs/dbraw/zinc/55/65/97/415556597.db2.gz OWXAVRFYUMUZAW-LBPRGKRZSA-N 1 1 314.393 0.942 50 0 DCAAMO C[S@@](=O)c1ncn(C[C@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000095438961 415558777 /nfs/dbraw/zinc/55/87/77/415558777.db2.gz PJNMZXWRXJMYEX-PEBXRYMYSA-N 1 1 320.418 0.435 50 0 DCAAMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC000095976247 415568510 /nfs/dbraw/zinc/56/85/10/415568510.db2.gz HZUJTHPYFJQYAT-AWEZNQCLSA-N 1 1 302.378 0.863 50 0 DCAAMO CC[C@@H]1CN(CC(=O)Nc2cccnc2)CC[N@H+]1C[C@H](C)O ZINC000106906960 415652375 /nfs/dbraw/zinc/65/23/75/415652375.db2.gz WDKJUTQEDDIQNB-DZGCQCFKSA-N 1 1 306.410 0.797 50 0 DCAAMO CC[C@@H]1CN(CC(=O)Nc2ccncc2)CC[N@H+]1C[C@H](C)O ZINC000107351168 415668544 /nfs/dbraw/zinc/66/85/44/415668544.db2.gz FCYLWKNIXXQWKE-DZGCQCFKSA-N 1 1 306.410 0.797 50 0 DCAAMO Cc1nn[nH]c1C(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000299777409 416068087 /nfs/dbraw/zinc/06/80/87/416068087.db2.gz JWKQPYBGKLWKIW-LBPRGKRZSA-N 1 1 307.398 0.686 50 0 DCAAMO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@H]1CO ZINC000299791169 416068882 /nfs/dbraw/zinc/06/88/82/416068882.db2.gz DHKQUIBSCXBGPG-IKGGRYGDSA-N 1 1 317.433 0.832 50 0 DCAAMO C[N@H+]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@H]1CO ZINC000299791169 416068885 /nfs/dbraw/zinc/06/88/85/416068885.db2.gz DHKQUIBSCXBGPG-IKGGRYGDSA-N 1 1 317.433 0.832 50 0 DCAAMO Cc1[nH+]ccn1CCC(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC000299786397 416069991 /nfs/dbraw/zinc/06/99/91/416069991.db2.gz SZPWIQBIZRWPRU-UHFFFAOYSA-N 1 1 321.425 0.204 50 0 DCAAMO COCC[C@H]1COCCN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000253429380 416334791 /nfs/dbraw/zinc/33/47/91/416334791.db2.gz SBGCIYAKLDSGSM-STQMWFEESA-N 1 1 302.440 0.688 50 0 DCAAMO OCC[NH+]1CCN(c2ncncc2-c2nc(C3CC3)no2)CC1 ZINC000263618729 416338355 /nfs/dbraw/zinc/33/83/55/416338355.db2.gz VFAIEYAMRYUAKE-UHFFFAOYSA-N 1 1 316.365 0.518 50 0 DCAAMO Cc1nnc(SCCNC(=O)C[N@@H+]2CCC[C@H](O)C2)s1 ZINC000215607316 416327210 /nfs/dbraw/zinc/32/72/10/416327210.db2.gz SVWWILBZLZNCLP-JTQLQIEISA-N 1 1 316.452 0.512 50 0 DCAAMO Cc1nnc(SCCNC(=O)C[N@H+]2CCC[C@H](O)C2)s1 ZINC000215607316 416327211 /nfs/dbraw/zinc/32/72/11/416327211.db2.gz SVWWILBZLZNCLP-JTQLQIEISA-N 1 1 316.452 0.512 50 0 DCAAMO CO[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000240555827 416329978 /nfs/dbraw/zinc/32/99/78/416329978.db2.gz GXMNQKCYNLKYOO-UONOGXRCSA-N 1 1 309.410 0.176 50 0 DCAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC000241126099 416330001 /nfs/dbraw/zinc/33/00/01/416330001.db2.gz JJMNFYLBPBRASN-OIISXLGYSA-N 1 1 317.433 0.954 50 0 DCAAMO CCn1ccnc1CN1CC[N@H+](CCn2cncn2)C[C@H]1C ZINC000241160586 416330130 /nfs/dbraw/zinc/33/01/30/416330130.db2.gz JYKVEVNEMWXEIG-CQSZACIVSA-N 1 1 303.414 0.701 50 0 DCAAMO CCn1ccnc1CN1CC[N@@H+](CCn2cncn2)C[C@H]1C ZINC000241160586 416330131 /nfs/dbraw/zinc/33/01/31/416330131.db2.gz JYKVEVNEMWXEIG-CQSZACIVSA-N 1 1 303.414 0.701 50 0 DCAAMO CCS(=O)(=O)N1CCC(C[N@H+]2CCN(C)C[C@H]2C)CC1 ZINC000245026554 416331202 /nfs/dbraw/zinc/33/12/02/416331202.db2.gz NADQQTXIMDLNLZ-CYBMUJFWSA-N 1 1 303.472 0.684 50 0 DCAAMO CCS(=O)(=O)N1CCC(CN2CC[N@H+](C)C[C@H]2C)CC1 ZINC000245026554 416331203 /nfs/dbraw/zinc/33/12/03/416331203.db2.gz NADQQTXIMDLNLZ-CYBMUJFWSA-N 1 1 303.472 0.684 50 0 DCAAMO CCS(=O)(=O)N1CCC(CN2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000245026554 416331204 /nfs/dbraw/zinc/33/12/04/416331204.db2.gz NADQQTXIMDLNLZ-CYBMUJFWSA-N 1 1 303.472 0.684 50 0 DCAAMO C[N@H+]1CCN2C[C@@H](NC(=O)c3cn4ccsc4n3)C[C@H]2C1 ZINC000067654167 277115869 /nfs/dbraw/zinc/11/58/69/277115869.db2.gz HHXDXBCEYDUPOU-QWRGUYRKSA-N 1 1 305.407 0.514 50 0 DCAAMO CN1CC[N@@H+]2C[C@@H](NC(=O)c3cn4ccsc4n3)C[C@H]2C1 ZINC000067654167 277115870 /nfs/dbraw/zinc/11/58/70/277115870.db2.gz 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50 0 DCAAMO COCCOc1cccc(C(=O)N2CC([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000888094271 661159354 /nfs/dbraw/zinc/15/93/54/661159354.db2.gz DHPYFMPHAGCDKK-HNNXBMFYSA-N 1 1 320.389 0.603 50 0 DCAAMO COCCOc1cccc(C(=O)N2CC([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000888094271 661159355 /nfs/dbraw/zinc/15/93/55/661159355.db2.gz DHPYFMPHAGCDKK-HNNXBMFYSA-N 1 1 320.389 0.603 50 0 DCAAMO O=C(Cn1ccnn1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000426509351 661606769 /nfs/dbraw/zinc/60/67/69/661606769.db2.gz JJMNHLOBAGPLFI-UHFFFAOYSA-N 1 1 300.366 0.408 50 0 DCAAMO O=C(Cn1ccnn1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000426509351 661606770 /nfs/dbraw/zinc/60/67/70/661606770.db2.gz JJMNHLOBAGPLFI-UHFFFAOYSA-N 1 1 300.366 0.408 50 0 DCAAMO Cc1c(C[N@@H+]2CCCN(CC(=O)N(C)C)CC2)cc(C#N)n1C ZINC000129375299 664125226 /nfs/dbraw/zinc/12/52/26/664125226.db2.gz VCASZGAFJZAYEA-UHFFFAOYSA-N 1 1 317.437 0.801 50 0 DCAAMO Cc1c(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)cc(C#N)n1C ZINC000129375299 664125229 /nfs/dbraw/zinc/12/52/29/664125229.db2.gz 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/nfs/dbraw/zinc/15/77/02/191157702.db2.gz UOSQPJDWYQNUKV-CQSZACIVSA-N 1 1 323.441 0.209 50 0 DCAAMO Cc1c[nH+]c(N2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)nc1N ZINC000072436385 191165643 /nfs/dbraw/zinc/16/56/43/191165643.db2.gz DXAGVQXYRLBLOV-QWHCGFSZSA-N 1 1 319.409 0.567 50 0 DCAAMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1nn(C)c2c1CCCC2 ZINC000331957767 234318228 /nfs/dbraw/zinc/31/82/28/234318228.db2.gz ICYIUIGGVMXGCN-GFCCVEGCSA-N 1 1 306.410 0.438 50 0 DCAAMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1nn(C)c2c1CCCC2 ZINC000331957767 234318231 /nfs/dbraw/zinc/31/82/31/234318231.db2.gz ICYIUIGGVMXGCN-GFCCVEGCSA-N 1 1 306.410 0.438 50 0 DCAAMO C[C@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CC[NH2+]1 ZINC000237645252 202315668 /nfs/dbraw/zinc/31/56/68/202315668.db2.gz VSXGKCSHJZILSS-ZDUSSCGKSA-N 1 1 320.418 0.914 50 0 DCAAMO CCc1ccccc1C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000189200054 200363323 /nfs/dbraw/zinc/36/33/23/200363323.db2.gz JMZCXFQYKCSCIM-UHFFFAOYSA-N 1 1 311.451 0.655 50 0 DCAAMO CCCn1ncc(C(=O)NCCC[NH+]2CCN(C)CC2)c1C ZINC000091289055 193031361 /nfs/dbraw/zinc/03/13/61/193031361.db2.gz XCCQTTRLRRSPLW-UHFFFAOYSA-N 1 1 307.442 0.969 50 0 DCAAMO C[N@H+]1CCN(C(=O)NC2CCCC2)C[C@]12CCNC(=O)CC2 ZINC000091548543 193071948 /nfs/dbraw/zinc/07/19/48/193071948.db2.gz WEJFDQBCOQGMMI-INIZCTEOSA-N 1 1 308.426 0.925 50 0 DCAAMO CCC[C@H]1C[N@@H+](CCOC)C[C@@H]1NS(=O)(=O)N(C)CC ZINC000091625913 193081255 /nfs/dbraw/zinc/08/12/55/193081255.db2.gz NJULEIXURCNPQU-STQMWFEESA-N 1 1 307.460 0.519 50 0 DCAAMO O=C(NC1CCC1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019732470 182139409 /nfs/dbraw/zinc/13/94/09/182139409.db2.gz OQDGHBMEYKTCIE-CQSZACIVSA-N 1 1 323.437 0.616 50 0 DCAAMO CC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](CCO)CC2)cc1 ZINC000020347375 182210251 /nfs/dbraw/zinc/21/02/51/182210251.db2.gz IDYSKSGWTDOLFO-MRXNPFEDSA-N 1 1 322.405 0.239 50 0 aggregator DCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc(O)cc1 ZINC000031811274 182624694 /nfs/dbraw/zinc/62/46/94/182624694.db2.gz 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/nfs/dbraw/zinc/33/33/64/184333364.db2.gz WZMLIFVMJGLCRA-LLVKDONJSA-N 1 1 303.370 0.314 50 0 DCAAMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)noc1C ZINC000065493783 184354157 /nfs/dbraw/zinc/35/41/57/184354157.db2.gz JVTJSAVWSYKFPE-LBPRGKRZSA-N 1 1 317.411 0.681 50 0 DCAAMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)noc1C ZINC000065493783 184354159 /nfs/dbraw/zinc/35/41/59/184354159.db2.gz JVTJSAVWSYKFPE-LBPRGKRZSA-N 1 1 317.411 0.681 50 0 DCAAMO C[N@H+]1C[C@H](NC(=O)c2cccc(-n3cccn3)c2)C[C@H]1CO ZINC000065492954 184354165 /nfs/dbraw/zinc/35/41/65/184354165.db2.gz IGGQHJZPFHCVJK-HIFRSBDPSA-N 1 1 300.362 0.667 50 0 DCAAMO CCO[C@H]1C[N@H+](CC)C[C@@H]1NC(=O)c1cn(C)c(C)cc1=O ZINC000426551747 257246734 /nfs/dbraw/zinc/24/67/34/257246734.db2.gz DFWQIGAZCNWBKC-ZFWWWQNUSA-N 1 1 307.394 0.533 50 0 DCAAMO CCO[C@H]1C[N@@H+](CC)C[C@@H]1NC(=O)c1cn(C)c(C)cc1=O ZINC000426551747 257246735 /nfs/dbraw/zinc/24/67/35/257246735.db2.gz DFWQIGAZCNWBKC-ZFWWWQNUSA-N 1 1 307.394 0.533 50 0 DCAAMO 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317.397 0.755 50 0 DCAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)CCNc1ncnc2[nH]cnc21 ZINC000012322612 395687352 /nfs/dbraw/zinc/68/73/52/395687352.db2.gz RCTADCSJXGLJEM-NSHDSACASA-N 1 1 317.397 0.755 50 0 DCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCNc1ncnc2[nH]cnc21 ZINC000012322612 395687353 /nfs/dbraw/zinc/68/73/53/395687353.db2.gz RCTADCSJXGLJEM-NSHDSACASA-N 1 1 317.397 0.755 50 0 DCAAMO CC(C)CCN1CCN2C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]2C1 ZINC000014533415 395689437 /nfs/dbraw/zinc/68/94/37/395689437.db2.gz GUTMSLHKDMPJSF-UONOGXRCSA-N 1 1 310.442 0.173 50 0 DCAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000089937827 395716857 /nfs/dbraw/zinc/71/68/57/395716857.db2.gz NOAPFZALBRECLN-UKRRQHHQSA-N 1 1 314.393 0.619 50 0 DCAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000089937827 395716862 /nfs/dbraw/zinc/71/68/62/395716862.db2.gz NOAPFZALBRECLN-UKRRQHHQSA-N 1 1 314.393 0.619 50 0 DCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000089937828 395717027 /nfs/dbraw/zinc/71/70/27/395717027.db2.gz NOAPFZALBRECLN-DZGCQCFKSA-N 1 1 314.393 0.619 50 0 DCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000089937828 395717029 /nfs/dbraw/zinc/71/70/29/395717029.db2.gz NOAPFZALBRECLN-DZGCQCFKSA-N 1 1 314.393 0.619 50 0 DCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000089937843 395717106 /nfs/dbraw/zinc/71/71/06/395717106.db2.gz ZQRCBRVDZDVERT-QWHCGFSZSA-N 1 1 305.378 0.791 50 0 DCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000089937843 395717108 /nfs/dbraw/zinc/71/71/08/395717108.db2.gz ZQRCBRVDZDVERT-QWHCGFSZSA-N 1 1 305.378 0.791 50 0 DCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000089937869 395717315 /nfs/dbraw/zinc/71/73/15/395717315.db2.gz QZTKECFGRSZEQT-UONOGXRCSA-N 1 1 303.410 0.856 50 0 DCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000089937869 395717316 /nfs/dbraw/zinc/71/73/16/395717316.db2.gz QZTKECFGRSZEQT-UONOGXRCSA-N 1 1 303.410 0.856 50 0 DCAAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000046878759 395781416 /nfs/dbraw/zinc/78/14/16/395781416.db2.gz HTNYJNJHLVLITF-NSHDSACASA-N 1 1 322.434 0.811 50 0 DCAAMO O[C@@H](CN1CCOCC1)C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000106785722 395783626 /nfs/dbraw/zinc/78/36/26/395783626.db2.gz VKGPXTOMZOFCAG-CVEARBPZSA-N 1 1 308.426 0.431 50 0 DCAAMO CCNc1ncc(C(=O)NCCC[N@H+]2CCCC[C@H]2CO)cn1 ZINC000097594830 395759070 /nfs/dbraw/zinc/75/90/70/395759070.db2.gz QJRDPUCWHPKZIQ-AWEZNQCLSA-N 1 1 321.425 0.875 50 0 DCAAMO CC[N@H+]1CC[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000097657156 395760035 /nfs/dbraw/zinc/76/00/35/395760035.db2.gz QMLZLTJOMYOLKY-CYBMUJFWSA-N 1 1 304.394 0.818 50 0 DCAAMO Cc1occc1C(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000223290628 395854892 /nfs/dbraw/zinc/85/48/92/395854892.db2.gz CTGMUOXFDDZSMX-UHFFFAOYSA-N 1 1 321.421 0.803 50 0 DCAAMO CC(C)C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)CC(N)=O ZINC000054174182 395895527 /nfs/dbraw/zinc/89/55/27/395895527.db2.gz 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CC(=O)NC1(C(=O)N2CC[NH+](C[C@H](C)O)CC2)CCCCC1 ZINC000071871320 396120799 /nfs/dbraw/zinc/12/07/99/396120799.db2.gz KWQBPXAKBPSYRY-ZDUSSCGKSA-N 1 1 311.426 0.350 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000071877430 396121511 /nfs/dbraw/zinc/12/15/11/396121511.db2.gz LRYZNOTXXUKNOG-ZBFHGGJFSA-N 1 1 305.422 0.814 50 0 DCAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)COC)CC1 ZINC000071920301 396125238 /nfs/dbraw/zinc/12/52/38/396125238.db2.gz NMGSLWHDVPUMCN-KGLIPLIRSA-N 1 1 300.447 0.594 50 0 DCAAMO CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000072277635 396129130 /nfs/dbraw/zinc/12/91/30/396129130.db2.gz IDIPGAXCXBJEGY-GFCCVEGCSA-N 1 1 300.428 0.539 50 0 DCAAMO Cn1cc([C@@H](CNC(=O)NCC[C@@H]2CCCO2)[NH+](C)C)cn1 ZINC000072287684 396129899 /nfs/dbraw/zinc/12/98/99/396129899.db2.gz GDFQDTNYPJDSRN-UONOGXRCSA-N 1 1 309.414 0.891 50 0 DCAAMO C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CCO1 ZINC000072298298 396130929 /nfs/dbraw/zinc/13/09/29/396130929.db2.gz 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ZINC000076055288 396195175 /nfs/dbraw/zinc/19/51/75/396195175.db2.gz UGRHNRTYNZKHCB-SWLSCSKDSA-N 1 1 306.410 0.967 50 0 DCAAMO [NH3+][C@H]1C[C@@H](C(=O)[O-])[N@@H+](C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000077323374 396218871 /nfs/dbraw/zinc/21/88/71/396218871.db2.gz OGOSJPYVMMZRGI-JSGCOSHPSA-N 1 1 318.377 0.172 50 0 DCAAMO [NH3+][C@H]1C[C@@H](C(=O)[O-])[N@H+](C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000077323374 396218876 /nfs/dbraw/zinc/21/88/76/396218876.db2.gz OGOSJPYVMMZRGI-JSGCOSHPSA-N 1 1 318.377 0.172 50 0 DCAAMO COC(=O)c1cc(O)cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000584885140 396632117 /nfs/dbraw/zinc/63/21/17/396632117.db2.gz BPQSRCFYKHJIOT-BETUJISGSA-N 1 1 304.346 0.812 50 0 DCAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCc1[nH]nc2c1CCCCC2 ZINC000584886539 396632432 /nfs/dbraw/zinc/63/24/32/396632432.db2.gz WCJMUJNGHYTJFJ-LBPRGKRZSA-N 1 1 306.410 0.752 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCc1[nH]nc2c1CCCCC2 ZINC000584886539 396632437 /nfs/dbraw/zinc/63/24/37/396632437.db2.gz 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415240547 /nfs/dbraw/zinc/24/05/47/415240547.db2.gz YIXMKRIAEYQXKN-HNNXBMFYSA-N 1 1 317.389 0.148 50 0 DCAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1ccccn1 ZINC000045536674 415245438 /nfs/dbraw/zinc/24/54/38/415245438.db2.gz BHWYUCRGXJFAEW-KGLIPLIRSA-N 1 1 320.393 0.940 50 0 DCAAMO CCCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000047951971 415284710 /nfs/dbraw/zinc/28/47/10/415284710.db2.gz NSAUEUZHWHLVCY-GFCCVEGCSA-N 1 1 321.425 0.529 50 0 DCAAMO NC(=O)C[N@H+](Cc1cc(=O)n2ccsc2n1)C1CCCC1 ZINC000047274314 415267494 /nfs/dbraw/zinc/26/74/94/415267494.db2.gz XCJWFYGYUJJVGF-UHFFFAOYSA-N 1 1 306.391 0.986 50 0 DCAAMO NC(=O)C[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CCCC1 ZINC000047274314 415267499 /nfs/dbraw/zinc/26/74/99/415267499.db2.gz XCJWFYGYUJJVGF-UHFFFAOYSA-N 1 1 306.391 0.986 50 0 DCAAMO C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000047614656 415273647 /nfs/dbraw/zinc/27/36/47/415273647.db2.gz HNOYIKRZLPYPCY-ZDUSSCGKSA-N 1 1 302.378 0.204 50 0 DCAAMO CCNC(=O)CN1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000044739776 415225035 /nfs/dbraw/zinc/22/50/35/415225035.db2.gz QKDSCJWWESVNDW-UHFFFAOYSA-N 1 1 305.422 0.991 50 0 DCAAMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)Nc1cn[nH]c1 ZINC000048249678 415288271 /nfs/dbraw/zinc/28/82/71/415288271.db2.gz FFHAZCPCIIWGIV-HNNXBMFYSA-N 1 1 315.377 0.950 50 0 DCAAMO COCC[N@H+]1CCCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000048428900 415292401 /nfs/dbraw/zinc/29/24/01/415292401.db2.gz VTWHYZIEUHASAB-ZIAGYGMSSA-N 1 1 311.426 0.329 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC000070016676 415403499 /nfs/dbraw/zinc/40/34/99/415403499.db2.gz GJDMPACCIGYAOZ-CQSZACIVSA-N 1 1 311.426 0.304 50 0 DCAAMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)C2CCCCC2)CC1 ZINC000066575921 415364681 /nfs/dbraw/zinc/36/46/81/415364681.db2.gz OAXZGDPCVHYWJG-UHFFFAOYSA-N 1 1 317.455 0.403 50 0 DCAAMO OCC[C@H]1C[N@@H+](CCO)CCN1Cc1ccc(F)c(F)c1 ZINC000067689056 415384408 /nfs/dbraw/zinc/38/44/08/415384408.db2.gz VRHZXZPXMFOCHN-ZDUSSCGKSA-N 1 1 300.349 0.826 50 0 DCAAMO CC[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000084735834 415501924 /nfs/dbraw/zinc/50/19/24/415501924.db2.gz ZKVVYIBXJFJQCP-JKSUJKDBSA-N 1 1 320.437 0.922 50 0 DCAAMO CC(C)(CNC(=O)[C@H]1CNC(=O)N1)[N@H+]1CCc2ccccc2C1 ZINC000089761730 415522656 /nfs/dbraw/zinc/52/26/56/415522656.db2.gz DRIXLYMXSMELQC-CQSZACIVSA-N 1 1 316.405 0.621 50 0 DCAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000089937867 415526433 /nfs/dbraw/zinc/52/64/33/415526433.db2.gz QZTKECFGRSZEQT-ZIAGYGMSSA-N 1 1 303.410 0.856 50 0 DCAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000089937867 415526437 /nfs/dbraw/zinc/52/64/37/415526437.db2.gz QZTKECFGRSZEQT-ZIAGYGMSSA-N 1 1 303.410 0.856 50 0 DCAAMO CCCCSc1nc(N)cc(NCCNS(C)(=O)=O)[nH+]1 ZINC000095366273 415555341 /nfs/dbraw/zinc/55/53/41/415555341.db2.gz LCKQLQFAFPKYFQ-UHFFFAOYSA-N 1 1 319.456 0.912 50 0 DCAAMO Cc1noc([C@H]2CCC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C2)n1 ZINC000106827943 415648068 /nfs/dbraw/zinc/64/80/68/415648068.db2.gz DRDBOMQNAOBIOU-AAEUAGOBSA-N 1 1 308.382 0.805 50 0 DCAAMO Cc1noc([C@H]2CCC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C2)n1 ZINC000106827943 415648074 /nfs/dbraw/zinc/64/80/74/415648074.db2.gz DRDBOMQNAOBIOU-AAEUAGOBSA-N 1 1 308.382 0.805 50 0 DCAAMO C[N@H+]1CCN(Cc2cccnc2N)C[C@@]12CCNC(=O)CC2 ZINC000108001984 415675377 /nfs/dbraw/zinc/67/53/77/415675377.db2.gz RXFKTNBKWXLCTO-MRXNPFEDSA-N 1 1 303.410 0.450 50 0 DCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCc1csc(N)n1 ZINC000299794327 416069185 /nfs/dbraw/zinc/06/91/85/416069185.db2.gz KFWSGRDUHVGIPE-RYUDHWBXSA-N 1 1 312.439 0.882 50 0 DCAAMO Cc1nn(CC(=O)NCC[N@H+]2CCCC[C@@H]2CO)cc1Cl ZINC000299793374 416069886 /nfs/dbraw/zinc/06/98/86/416069886.db2.gz GJVDSQMJLYEBCW-GFCCVEGCSA-N 1 1 314.817 0.808 50 0 DCAAMO O=C(C[NH+]1CCC2(CNC(=O)O2)CC1)NCc1cccs1 ZINC000241081873 416329956 /nfs/dbraw/zinc/32/99/56/416329956.db2.gz YRUNWUHFAFKFDD-UHFFFAOYSA-N 1 1 309.391 0.939 50 0 DCAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC000241126097 416330176 /nfs/dbraw/zinc/33/01/76/416330176.db2.gz JJMNFYLBPBRASN-DJIMGWMZSA-N 1 1 317.433 0.954 50 0 DCAAMO CCCN(C)S(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000241287532 416330206 /nfs/dbraw/zinc/33/02/06/416330206.db2.gz LMHYQHFJNWAUBW-UHFFFAOYSA-N 1 1 315.443 0.565 50 0 DCAAMO CN1CC[N@@H+](C)[C@H](CC(=O)NCCCNc2cccnc2)C1 ZINC000244601864 416330310 /nfs/dbraw/zinc/33/03/10/416330310.db2.gz DTCYMLNSZWFNQT-OAHLLOKOSA-N 1 1 305.426 0.636 50 0 DCAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)NCCCNc1cccnc1 ZINC000244601864 416330311 /nfs/dbraw/zinc/33/03/11/416330311.db2.gz DTCYMLNSZWFNQT-OAHLLOKOSA-N 1 1 305.426 0.636 50 0 DCAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)NCCCNc1cccnc1 ZINC000244601864 416330312 /nfs/dbraw/zinc/33/03/12/416330312.db2.gz DTCYMLNSZWFNQT-OAHLLOKOSA-N 1 1 305.426 0.636 50 0 DCAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCNS(=O)(=O)c1ccccc1 ZINC000242292558 416330533 /nfs/dbraw/zinc/33/05/33/416330533.db2.gz 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CC(C)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 ZINC000097033994 277299239 /nfs/dbraw/zinc/29/92/39/277299239.db2.gz PWCDIFIBTOUGQD-CQSZACIVSA-N 1 1 301.390 0.607 50 0 DCAAMO CC(C)(C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 ZINC000097033994 277299240 /nfs/dbraw/zinc/29/92/40/277299240.db2.gz PWCDIFIBTOUGQD-CQSZACIVSA-N 1 1 301.390 0.607 50 0 DCAAMO COCC[NH+]1CCN(CC(=O)Nc2nc(C)c(C)s2)CC1 ZINC000069628042 277525259 /nfs/dbraw/zinc/52/52/59/277525259.db2.gz XYSOMCWMZIGFAC-UHFFFAOYSA-N 1 1 312.439 0.962 50 0 DCAAMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cnn1-c1ccc(=O)[nH]n1 ZINC000089544863 280207284 /nfs/dbraw/zinc/20/72/84/280207284.db2.gz YWGODLODEQKVLV-JTQLQIEISA-N 1 1 316.365 0.040 50 0 DCAAMO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2C)cnn1-c1ccc(=O)[nH]n1 ZINC000089544863 280207285 /nfs/dbraw/zinc/20/72/85/280207285.db2.gz YWGODLODEQKVLV-JTQLQIEISA-N 1 1 316.365 0.040 50 0 DCAAMO Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000069844772 302927813 /nfs/dbraw/zinc/92/78/13/302927813.db2.gz ZBRQCBHYTWMNIG-UONOGXRCSA-N 1 1 306.410 0.439 50 0 DCAAMO Cc1cccc(CC(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)c1 ZINC000534639454 334310583 /nfs/dbraw/zinc/31/05/83/334310583.db2.gz YYHXKMMFLWHZLI-IRXDYDNUSA-N 1 1 317.433 0.669 50 0 DCAAMO CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cnnc3)nc2)[C@@H](OC)C1 ZINC000534655884 334313713 /nfs/dbraw/zinc/31/37/13/334313713.db2.gz VEHQWKNLUUWGMJ-STQMWFEESA-N 1 1 316.365 0.111 50 0 DCAAMO NC(=O)c1cc([C@@H]2CCC[N@@H+](CCOC[C@H]3CCCO3)C2)n[nH]1 ZINC000299754303 534472190 /nfs/dbraw/zinc/47/21/90/534472190.db2.gz HLGPNFAEHWZUSW-CHWSQXEVSA-N 1 1 322.409 0.884 50 0 DCAAMO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000084325932 545699700 /nfs/dbraw/zinc/69/97/00/545699700.db2.gz QRINROYLFLZYHN-CYBMUJFWSA-N 1 1 307.442 0.970 50 0 DCAAMO O=C(CCN1CCCCC1=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000670438028 547090946 /nfs/dbraw/zinc/09/09/46/547090946.db2.gz DMACGBUNSDORTG-AWEZNQCLSA-N 1 1 311.426 0.352 50 0 DCAAMO 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ZINC000065267429 395992502 /nfs/dbraw/zinc/99/25/02/395992502.db2.gz LMXWIWIJVCAADV-AWEZNQCLSA-N 1 1 320.393 0.307 50 0 DCAAMO CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)CNC(C)=O)C2)cn1 ZINC000065267429 395992504 /nfs/dbraw/zinc/99/25/04/395992504.db2.gz LMXWIWIJVCAADV-AWEZNQCLSA-N 1 1 320.393 0.307 50 0 DCAAMO CC[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000065439793 395993143 /nfs/dbraw/zinc/99/31/43/395993143.db2.gz ZTKZLHFQNLZZLM-CQSZACIVSA-N 1 1 318.425 0.793 50 0 DCAAMO COc1cc(C[N@@H+]2C[C@@H](CO)[C@H](NC(C)=O)C2)cc(OC)c1 ZINC000253394329 396026482 /nfs/dbraw/zinc/02/64/82/396026482.db2.gz ABUPSUGJASVZPK-XJKSGUPXSA-N 1 1 308.378 0.633 50 0 DCAAMO COc1cc(C[N@H+]2C[C@@H](CO)[C@H](NC(C)=O)C2)cc(OC)c1 ZINC000253394329 396026483 /nfs/dbraw/zinc/02/64/83/396026483.db2.gz ABUPSUGJASVZPK-XJKSGUPXSA-N 1 1 308.378 0.633 50 0 DCAAMO C[NH+]1CCN(Cc2noc(CCN3CCCCCC3=O)n2)CC1 ZINC000067803974 396034117 /nfs/dbraw/zinc/03/41/17/396034117.db2.gz LCPCJNFIMARXLH-UHFFFAOYSA-N 1 1 321.425 0.762 50 0 DCAAMO Cc1ccc(O)c(C(=O)NC[C@H]2CC[N@H+](C(CO)CO)C2)c1 ZINC000067982287 396041807 /nfs/dbraw/zinc/04/18/07/396041807.db2.gz USKLCKLRBIWDDA-GFCCVEGCSA-N 1 1 308.378 0.106 50 0 DCAAMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000069660895 396085955 /nfs/dbraw/zinc/08/59/55/396085955.db2.gz CLWJFHPNAHLBDQ-LLVKDONJSA-N 1 1 303.453 0.796 50 0 DCAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000069698128 396087155 /nfs/dbraw/zinc/08/71/55/396087155.db2.gz SKCZIFKODFLTMN-CYBMUJFWSA-N 1 1 323.462 0.631 50 0 DCAAMO Cc1ccccc1C[C@H](C)NC(=O)CN1CC[NH+](CCO)CC1 ZINC000069772127 396090314 /nfs/dbraw/zinc/09/03/14/396090314.db2.gz OYUSOVICLSFAJL-INIZCTEOSA-N 1 1 319.449 0.652 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000069810593 396091158 /nfs/dbraw/zinc/09/11/58/396091158.db2.gz PSMHAFQQSNVFJT-ARFHVFGLSA-N 1 1 306.410 0.719 50 0 DCAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000069846234 396092378 /nfs/dbraw/zinc/09/23/78/396092378.db2.gz 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/nfs/dbraw/zinc/09/83/92/396098392.db2.gz BSAAGXQZIDGXAZ-ZNMIVQPWSA-N 1 1 314.426 0.486 50 0 DCAAMO COc1cccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1OC ZINC000071870977 396120142 /nfs/dbraw/zinc/12/01/42/396120142.db2.gz SSNBTBHVKMCZKV-GFCCVEGCSA-N 1 1 308.378 0.842 50 0 DCAAMO O=C(CC[N@@H+]1CCO[C@H](Cn2cncn2)C1)NC1CCCCC1 ZINC000072268126 396128314 /nfs/dbraw/zinc/12/83/14/396128314.db2.gz TWWNIUMMRYBHOB-HNNXBMFYSA-N 1 1 321.425 0.818 50 0 DCAAMO O=C(CC[N@H+]1CCO[C@H](Cn2cncn2)C1)NC1CCCCC1 ZINC000072268126 396128317 /nfs/dbraw/zinc/12/83/17/396128317.db2.gz TWWNIUMMRYBHOB-HNNXBMFYSA-N 1 1 321.425 0.818 50 0 DCAAMO CC(C)OCC[NH+]1CCN(C(=O)CNC(=O)NC2CC2)CC1 ZINC000072307176 396130951 /nfs/dbraw/zinc/13/09/51/396130951.db2.gz KBGUYLOMWLYKGN-UHFFFAOYSA-N 1 1 312.414 0.017 50 0 DCAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)NC2CCOCC2)n1 ZINC000069521578 396081953 /nfs/dbraw/zinc/08/19/53/396081953.db2.gz CZRKFOKSUHELBC-OAHLLOKOSA-N 1 1 321.425 0.655 50 0 DCAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)NC2CCOCC2)n1 ZINC000069521578 396081956 /nfs/dbraw/zinc/08/19/56/396081956.db2.gz CZRKFOKSUHELBC-OAHLLOKOSA-N 1 1 321.425 0.655 50 0 DCAAMO Cn1cc([C@@H](CNC(=O)NCCCn2cccn2)[NH+](C)C)cn1 ZINC000076017063 396192195 /nfs/dbraw/zinc/19/21/95/396192195.db2.gz MJIMRXCEIKNUNL-CQSZACIVSA-N 1 1 319.413 0.609 50 0 DCAAMO CN1CCN(Cc2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000178518988 396198651 /nfs/dbraw/zinc/19/86/51/396198651.db2.gz SIMIZKMCWVKIAJ-INIZCTEOSA-N 1 1 316.449 0.855 50 0 DCAAMO COCC[N@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000077555780 396226436 /nfs/dbraw/zinc/22/64/36/396226436.db2.gz PJFWQOAAVKPLCX-CQSZACIVSA-N 1 1 323.441 0.473 50 0 DCAAMO C[NH+]1CCN(CC2(Cn3cnc4cccnc4c3=O)CC2)CC1 ZINC000584889479 396633025 /nfs/dbraw/zinc/63/30/25/396633025.db2.gz MMWMOVNVIVWVPQ-UHFFFAOYSA-N 1 1 313.405 0.819 50 0 DCAAMO COCC[N@H+]1CC[C@@H](C(=O)NC2(C(N)=O)CCCCCC2)C1 ZINC000584892188 396633957 /nfs/dbraw/zinc/63/39/57/396633957.db2.gz 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/nfs/dbraw/zinc/38/55/76/415385576.db2.gz HDHARNJBVYMXAQ-AWEZNQCLSA-N 1 1 308.426 0.899 50 0 DCAAMO CCc1c(C)nn(CC(=O)NCC[C@H]2C[N@@H+](C)CCO2)c1C ZINC000067740554 415385585 /nfs/dbraw/zinc/38/55/85/415385585.db2.gz HDHARNJBVYMXAQ-AWEZNQCLSA-N 1 1 308.426 0.899 50 0 DCAAMO [NH3+]C[C@H]1CN(C(=O)CCCN2Cc3ccccc3C2)CCO1 ZINC000067689320 415386359 /nfs/dbraw/zinc/38/63/59/415386359.db2.gz RAMXXJYCUUQLLK-INIZCTEOSA-N 1 1 303.406 0.969 50 0 DCAAMO CC[NH+]1CCN(Cc2cc(C(=O)NCC[C@H](C)O)no2)CC1 ZINC000067886611 415389444 /nfs/dbraw/zinc/38/94/44/415389444.db2.gz UPRBJLAYXDTDLQ-LBPRGKRZSA-N 1 1 310.398 0.313 50 0 DCAAMO Cc1nn(C)c(C)c1CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000075602864 415446748 /nfs/dbraw/zinc/44/67/48/415446748.db2.gz OVLNUAUZTWHLNI-LBPRGKRZSA-N 1 1 308.426 0.495 50 0 DCAAMO Cc1cc(C)n(CCNC(=O)[C@H]2CCCCC[N@@H+]2C)c(=O)n1 ZINC000095376655 415560247 /nfs/dbraw/zinc/56/02/47/415560247.db2.gz BRPBNEZRBRLZOF-CQSZACIVSA-N 1 1 306.410 0.851 50 0 DCAAMO 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/nfs/dbraw/zinc/07/01/96/416070196.db2.gz FYVRAFPNICMHLO-NSHDSACASA-N 1 1 306.366 0.035 50 0 DCAAMO Cc1nn(C)c(C)c1[C@H](C)NC(=O)CCN1CC[NH+](C)CC1 ZINC000299796825 416071711 /nfs/dbraw/zinc/07/17/11/416071711.db2.gz OAGFFRQNQDCPIP-LBPRGKRZSA-N 1 1 307.442 0.852 50 0 DCAAMO NS(=O)(=O)c1ccccc1N1CC[NH+](CCCF)CC1 ZINC000190315761 416277853 /nfs/dbraw/zinc/27/78/53/416277853.db2.gz MSWIPPCHPUWUJJ-UHFFFAOYSA-N 1 1 301.387 0.816 50 0 DCAAMO Cc1[nH+]cn(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1C ZINC000215026295 416326900 /nfs/dbraw/zinc/32/69/00/416326900.db2.gz CLGOEPMBIARGMA-UHFFFAOYSA-N 1 1 322.390 0.577 50 0 DCAAMO CN(C)c1ncc(CN2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000215650791 416327300 /nfs/dbraw/zinc/32/73/00/416327300.db2.gz HPLWVJGDAZDQCA-UHFFFAOYSA-N 1 1 318.469 0.754 50 0 DCAAMO CC(C)[NH+]1CCN(CCCN2CCOC[C@@H]2C[C@H](C)O)CC1 ZINC000225723163 416327795 /nfs/dbraw/zinc/32/77/95/416327795.db2.gz BAQBBVXWYDVSRE-IRXDYDNUSA-N 1 1 313.486 0.874 50 0 DCAAMO 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0.782 50 0 DCAAMO CCn1c(C)ccc(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)c1=O ZINC000426621747 257245375 /nfs/dbraw/zinc/24/53/75/257245375.db2.gz PVCVMCBZUHYRBE-ZDUSSCGKSA-N 1 1 307.394 0.485 50 0 DCAAMO C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426640348 257245415 /nfs/dbraw/zinc/24/54/15/257245415.db2.gz FIVKRURJFFGCDJ-GFCCVEGCSA-N 1 1 307.402 0.121 50 0 DCAAMO CN(Cc1cscn1)C(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000426541357 257246755 /nfs/dbraw/zinc/24/67/55/257246755.db2.gz MIKZGURPLHVLGE-LBPRGKRZSA-N 1 1 312.439 0.989 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)N1CCC[C@H](c2ncon2)C1 ZINC000426409276 257251916 /nfs/dbraw/zinc/25/19/16/257251916.db2.gz HJGHZUMTBOLOBA-ZDUSSCGKSA-N 1 1 323.397 0.681 50 0 DCAAMO COc1cc2[nH+]c(N(CCO)CCO)nc(N)c2cc1OC ZINC000000389139 257266556 /nfs/dbraw/zinc/26/65/56/257266556.db2.gz KAANIDZRLHMQHS-UHFFFAOYSA-N 1 1 308.338 0.020 50 0 DCAAMO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C)C2)c(=O)[nH]c1=O ZINC000014095149 395689152 /nfs/dbraw/zinc/68/91/52/395689152.db2.gz 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CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cnnc2)nc1 ZINC000097742920 395760516 /nfs/dbraw/zinc/76/05/16/395760516.db2.gz SCNYMNILJMAWOE-CYBMUJFWSA-N 1 1 300.366 0.876 50 0 DCAAMO C[NH+]1CCN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000100099784 395762443 /nfs/dbraw/zinc/76/24/43/395762443.db2.gz UNFNGAODJTVAFN-BETUJISGSA-N 1 1 305.378 0.102 50 0 DCAAMO O=C(NCCc1cccc(F)c1)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)CO)C[C@@H]21 ZINC000102267871 395769538 /nfs/dbraw/zinc/76/95/38/395769538.db2.gz UUPIHNSLYZVDLF-CAOSSQGBSA-N 1 1 322.380 0.015 50 0 DCAAMO Cn1nccc1[C@H](O)c1cc2n(n1)CC[N@@H+](C1CCOCC1)C2 ZINC000219668067 395846394 /nfs/dbraw/zinc/84/63/94/395846394.db2.gz JBKXZWGJUQAFHF-MRXNPFEDSA-N 1 1 317.393 0.693 50 0 DCAAMO Cn1nccc1[C@H](O)c1cc2n(n1)CC[N@H+](C1CCOCC1)C2 ZINC000219668067 395846395 /nfs/dbraw/zinc/84/63/95/395846395.db2.gz JBKXZWGJUQAFHF-MRXNPFEDSA-N 1 1 317.393 0.693 50 0 DCAAMO Cc1nnnn1CCC(=O)N(C)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000220205542 395847904 /nfs/dbraw/zinc/84/79/04/395847904.db2.gz KMDZLVHPFMRPBJ-UHFFFAOYSA-N 1 1 314.393 0.976 50 0 DCAAMO C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000051181164 395848250 /nfs/dbraw/zinc/84/82/50/395848250.db2.gz QCWRZUVNPPXJQJ-CYBMUJFWSA-N 1 1 318.421 0.170 50 0 DCAAMO C[N@H+]1C[C@H](NC(=O)CCc2nc3ccccc3[nH]2)C[C@H]1CO ZINC000220749595 395849482 /nfs/dbraw/zinc/84/94/82/395849482.db2.gz VHOOHRCHGWXFKZ-NEPJUHHUSA-N 1 1 302.378 0.677 50 0 DCAAMO Cn1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1=O ZINC000051530953 395851302 /nfs/dbraw/zinc/85/13/02/395851302.db2.gz HUCHQPFFNGYECB-HNNXBMFYSA-N 1 1 319.405 0.456 50 0 DCAAMO O=C(CC[N@@H+]1CCCn2nc(CO)cc2C1)NCc1ccco1 ZINC000223953439 395857108 /nfs/dbraw/zinc/85/71/08/395857108.db2.gz MXJGOHHSXDUCND-UHFFFAOYSA-N 1 1 318.377 0.881 50 0 DCAAMO CC[NH+]1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000055169649 395912744 /nfs/dbraw/zinc/91/27/44/395912744.db2.gz QOYYJFVDKRIYDP-UHFFFAOYSA-N 1 1 322.390 0.729 50 0 DCAAMO 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/nfs/dbraw/zinc/99/32/38/395993238.db2.gz OVINNGADSHAULV-GFCCVEGCSA-N 1 1 319.409 0.861 50 0 DCAAMO CCCN1C(=O)N[C@H](CC(=O)NCCn2cc[nH+]c2C)C1=O ZINC000252510304 396022602 /nfs/dbraw/zinc/02/26/02/396022602.db2.gz ZGOIBSSPZKPDQQ-LLVKDONJSA-N 1 1 307.354 0.028 50 0 DCAAMO O=C(N[C@@H]1C[N@@H+](C2CCSCC2)C[C@H]1CO)c1cccnc1 ZINC000253412146 396026915 /nfs/dbraw/zinc/02/69/15/396026915.db2.gz QAIAYPVWXQKPPB-DZGCQCFKSA-N 1 1 321.446 1.000 50 0 DCAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccoc2)C[C@H]1CO)c1cnccn1 ZINC000257178363 396034475 /nfs/dbraw/zinc/03/44/75/396034475.db2.gz BRTCWUKNSFIKQH-GXTWGEPZSA-N 1 1 302.334 0.292 50 0 DCAAMO O=C(N[C@@H]1C[N@H+](Cc2ccoc2)C[C@H]1CO)c1cnccn1 ZINC000257178363 396034478 /nfs/dbraw/zinc/03/44/78/396034478.db2.gz BRTCWUKNSFIKQH-GXTWGEPZSA-N 1 1 302.334 0.292 50 0 DCAAMO O=C(C[NH2+]CCc1n[nH]c2c1CCCC2)Nc1cnccn1 ZINC000067821484 396034739 /nfs/dbraw/zinc/03/47/39/396034739.db2.gz HSWWAHTWNKLODS-UHFFFAOYSA-N 1 1 300.366 0.849 50 0 DCAAMO C[N@@H+](CCO)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067854841 396036321 /nfs/dbraw/zinc/03/63/21/396036321.db2.gz KCSLPASBYOCAOB-SFHVURJKSA-N 1 1 320.433 0.897 50 0 DCAAMO COCCN1CCC[C@@](O)(C[N@@H+](C)Cc2cccc(O)c2)C1=O ZINC000067947172 396039980 /nfs/dbraw/zinc/03/99/80/396039980.db2.gz JFRXYKPBBMVMPJ-QGZVFWFLSA-N 1 1 322.405 0.824 50 0 DCAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)c1cc(N)ccn1)CC2 ZINC000067956154 396040594 /nfs/dbraw/zinc/04/05/94/396040594.db2.gz KEYDQKGTOCPDOW-UHFFFAOYSA-N 1 1 303.410 0.516 50 0 DCAAMO CN1CC[N@H+](C)C2(CCN(C(=O)c3cc(N)ccn3)CC2)C1 ZINC000067956154 396040596 /nfs/dbraw/zinc/04/05/96/396040596.db2.gz KEYDQKGTOCPDOW-UHFFFAOYSA-N 1 1 303.410 0.516 50 0 DCAAMO CN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(N)ccn3)CC2)C1 ZINC000067956154 396040599 /nfs/dbraw/zinc/04/05/99/396040599.db2.gz KEYDQKGTOCPDOW-UHFFFAOYSA-N 1 1 303.410 0.516 50 0 DCAAMO Cc1ccc(O)c(C(=O)NC[C@@H]2CC[N@H+](C(CO)CO)C2)c1 ZINC000067982286 396041787 /nfs/dbraw/zinc/04/17/87/396041787.db2.gz 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ZINC000071799524 396115325 /nfs/dbraw/zinc/11/53/25/396115325.db2.gz YCPSZTPTZZTJAU-CABZTGNLSA-N 1 1 307.398 0.561 50 0 DCAAMO NC(=O)[C@H]1CC[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000071824750 396117063 /nfs/dbraw/zinc/11/70/63/396117063.db2.gz FVJLOELOVNTCCP-NSHDSACASA-N 1 1 314.382 0.797 50 0 DCAAMO NC(=O)[C@H]1CC[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000071824750 396117064 /nfs/dbraw/zinc/11/70/64/396117064.db2.gz FVJLOELOVNTCCP-NSHDSACASA-N 1 1 314.382 0.797 50 0 DCAAMO C[C@@H]1C[NH+](C[C@H](O)Cn2cnc3sccc3c2=O)C[C@@H](C)O1 ZINC000071825079 396117217 /nfs/dbraw/zinc/11/72/17/396117217.db2.gz GSTXRNABKYSWEI-UTUOFQBUSA-N 1 1 323.418 0.928 50 0 DCAAMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000071870856 396120437 /nfs/dbraw/zinc/12/04/37/396120437.db2.gz HOHLJASZISMTRG-LBPRGKRZSA-N 1 1 303.370 0.857 50 0 DCAAMO CC(=O)NC1(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CCCCC1 ZINC000071871321 396120685 /nfs/dbraw/zinc/12/06/85/396120685.db2.gz KWQBPXAKBPSYRY-CYBMUJFWSA-N 1 1 311.426 0.350 50 0 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ZINC000077406519 396221158 /nfs/dbraw/zinc/22/11/58/396221158.db2.gz WQYAPDPKEVOISX-NSHDSACASA-N 1 1 323.780 0.789 50 0 DCAAMO COCCn1cc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cn1 ZINC000282437497 396290171 /nfs/dbraw/zinc/29/01/71/396290171.db2.gz JXKUCLAFKDGEBH-UKRRQHHQSA-N 1 1 321.425 0.908 50 0 DCAAMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc[nH]c2)C1 ZINC000190836026 396411897 /nfs/dbraw/zinc/41/18/97/396411897.db2.gz WQHOTZFCQMNXEL-CQSZACIVSA-N 1 1 315.439 0.887 50 0 DCAAMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc[nH]c2)C1 ZINC000190836026 396411900 /nfs/dbraw/zinc/41/19/00/396411900.db2.gz WQHOTZFCQMNXEL-CQSZACIVSA-N 1 1 315.439 0.887 50 0 DCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)N(C)Cc1nc(C)c[nH]1 ZINC000584895846 396635061 /nfs/dbraw/zinc/63/50/61/396635061.db2.gz VFFXPIRLOLHGOU-STQMWFEESA-N 1 1 309.414 0.967 50 0 DCAAMO CCS(=O)(=O)CC(=O)N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC000584898983 396636396 /nfs/dbraw/zinc/63/63/96/396636396.db2.gz VYKXXIHGDJPOBX-AWEZNQCLSA-N 1 1 302.440 0.756 50 0 DCAAMO Cn1cc(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCN(C)CC2)cn1 ZINC000299756290 396713781 /nfs/dbraw/zinc/71/37/81/396713781.db2.gz KYZDEXVUDWNJNS-INIZCTEOSA-N 1 1 319.453 0.637 50 0 DCAAMO CC(=O)N1CCCN([C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC000299754189 396714463 /nfs/dbraw/zinc/71/44/63/396714463.db2.gz NFDHFEZAZGSNLJ-FVQBIDKESA-N 1 1 322.453 0.092 50 0 DCAAMO CC(=O)N1CCC[N@@H+]([C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC000299754189 396714464 /nfs/dbraw/zinc/71/44/64/396714464.db2.gz NFDHFEZAZGSNLJ-FVQBIDKESA-N 1 1 322.453 0.092 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC000299754189 396714465 /nfs/dbraw/zinc/71/44/65/396714465.db2.gz NFDHFEZAZGSNLJ-FVQBIDKESA-N 1 1 322.453 0.092 50 0 DCAAMO O=C(CN1CCCCCC1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023584419 415158666 /nfs/dbraw/zinc/15/86/66/415158666.db2.gz GMWYVTQLWJXFPH-OAHLLOKOSA-N 1 1 323.437 0.712 50 0 DCAAMO O=C(CN1CCCCCC1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023584415 415159424 /nfs/dbraw/zinc/15/94/24/415159424.db2.gz GMWYVTQLWJXFPH-HNNXBMFYSA-N 1 1 323.437 0.712 50 0 DCAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)NC(N)=O ZINC000029069926 415177613 /nfs/dbraw/zinc/17/76/13/415177613.db2.gz VUGLXTSWYRLWIR-LLVKDONJSA-N 1 1 316.365 0.845 50 0 DCAAMO O=C(CN1CCC[C@H](O)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044871135 415229526 /nfs/dbraw/zinc/22/95/26/415229526.db2.gz UPDHAVJZLGTVOX-IRXDYDNUSA-N 1 1 317.433 0.834 50 0 DCAAMO NC(=O)NC[C@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000048287352 415285834 /nfs/dbraw/zinc/28/58/34/415285834.db2.gz NTFYPZLVLLWUJK-SNVBAGLBSA-N 1 1 321.406 0.636 50 0 DCAAMO NC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000048287352 415285841 /nfs/dbraw/zinc/28/58/41/415285841.db2.gz NTFYPZLVLLWUJK-SNVBAGLBSA-N 1 1 321.406 0.636 50 0 DCAAMO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccccn2)C[C@H](C)O1 ZINC000048783551 415300885 /nfs/dbraw/zinc/30/08/85/415300885.db2.gz JNEDAPCZSZVOSQ-BETUJISGSA-N 1 1 313.423 0.610 50 0 DCAAMO Cn1nnc2cc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)ccc21 ZINC000067789841 415387034 /nfs/dbraw/zinc/38/70/34/415387034.db2.gz CSMOBYFNSWCQKZ-ZDUSSCGKSA-N 1 1 317.393 0.545 50 0 DCAAMO Nc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000067851353 415390764 /nfs/dbraw/zinc/39/07/64/415390764.db2.gz YKJRRMNBWMALOE-SNVBAGLBSA-N 1 1 318.356 0.778 50 0 DCAAMO O=C(Cn1ccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095371109 415555667 /nfs/dbraw/zinc/55/56/67/415555667.db2.gz LZBCAFRHCPXFFR-GOEBONIOSA-N 1 1 318.421 0.985 50 0 DCAAMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](C)Cc2ccnn2C)C1 ZINC000108178641 415675791 /nfs/dbraw/zinc/67/57/91/415675791.db2.gz LFCDOXOSGOEENP-TZMCWYRMSA-N 1 1 314.455 0.612 50 0 DCAAMO Nc1nscc1C(=O)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000299781329 416068343 /nfs/dbraw/zinc/06/83/43/416068343.db2.gz LQIPKIYEWBYHIM-NSHDSACASA-N 1 1 310.423 0.787 50 0 DCAAMO CCc1[nH+]ccn1CC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299789185 416069790 /nfs/dbraw/zinc/06/97/90/416069790.db2.gz SSWQEKIMATWBJM-STQMWFEESA-N 1 1 316.365 0.409 50 0 DCAAMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COCc2ccco2)C[C@@H]1C ZINC000247226962 416332610 /nfs/dbraw/zinc/33/26/10/416332610.db2.gz QYAHEFNWCDMCHN-KKUMJFAQSA-N 1 1 312.410 0.544 50 0 DCAAMO C[C@H](O)CN1CC[N@H+](C[C@H](O)COCc2ccco2)C[C@@H]1C ZINC000247226962 416332611 /nfs/dbraw/zinc/33/26/11/416332611.db2.gz QYAHEFNWCDMCHN-KKUMJFAQSA-N 1 1 312.410 0.544 50 0 DCAAMO C[C@H](O)CN1CC[N@@H+](C[C@H](O)COCc2ccco2)C[C@@H]1C ZINC000247226962 416332612 /nfs/dbraw/zinc/33/26/12/416332612.db2.gz QYAHEFNWCDMCHN-KKUMJFAQSA-N 1 1 312.410 0.544 50 0 DCAAMO [NH3+][C@H]1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000238058382 416329790 /nfs/dbraw/zinc/32/97/90/416329790.db2.gz VWZTYOPUJRVZGE-AWEZNQCLSA-N 1 1 303.410 0.153 50 0 DCAAMO C[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+]1CCCC[C@H]1C ZINC000242273821 416330236 /nfs/dbraw/zinc/33/02/36/416330236.db2.gz YGBVPAKDEUUOHY-UPJWGTAASA-N 1 1 317.455 0.736 50 0 DCAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](CCCn2cccn2)C1 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O=[N+]1C2CCc3nonc3[C@@H]2[C@H]2CCC[C@]21N1CCOCC1 ZINC000019320444 304849523 /nfs/dbraw/zinc/84/95/23/304849523.db2.gz VUVWTFLFMZIMLX-WDBKCZKBSA-N 1 1 304.350 0.893 50 0 DCAAMO CO[C@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000534649235 334316845 /nfs/dbraw/zinc/31/68/45/334316845.db2.gz DXPHQRQUCFLYCD-RYUDHWBXSA-N 1 1 304.799 0.947 50 0 DCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000534649235 334316846 /nfs/dbraw/zinc/31/68/46/334316846.db2.gz DXPHQRQUCFLYCD-RYUDHWBXSA-N 1 1 304.799 0.947 50 0 DCAAMO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000084442250 545699669 /nfs/dbraw/zinc/69/96/69/545699669.db2.gz XKFSGPAPYXTYEO-MNOVXSKESA-N 1 1 302.421 0.890 50 0 DCAAMO O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000084442250 545699676 /nfs/dbraw/zinc/69/96/76/545699676.db2.gz XKFSGPAPYXTYEO-MNOVXSKESA-N 1 1 302.421 0.890 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN(Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000084286718 545699955 /nfs/dbraw/zinc/69/99/55/545699955.db2.gz 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/nfs/dbraw/zinc/97/97/76/1179979776.db2.gz OTHJXHAXROPXFC-IAQYHMDHSA-N 1 1 302.382 0.636 50 0 DCAAMO C[N@@H+]1CCC[C@]2(CO)CCN(c3ncnc4[nH]cnc43)C[C@@H]12 ZINC001704344500 1179979781 /nfs/dbraw/zinc/97/97/81/1179979781.db2.gz OTHJXHAXROPXFC-IAQYHMDHSA-N 1 1 302.382 0.636 50 0 DCAAMO C[N@H+]1CCC[C@]2(CO)CCN(c3ncnc4[nH]cnc43)C[C@@H]12 ZINC001704344500 1179979788 /nfs/dbraw/zinc/97/97/88/1179979788.db2.gz OTHJXHAXROPXFC-IAQYHMDHSA-N 1 1 302.382 0.636 50 0 DCAAMO CCOCC[N@@H+]1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000823331723 758236898 /nfs/dbraw/zinc/23/68/98/758236898.db2.gz ZGKRNNMDNFTACR-UHFFFAOYSA-N 1 1 319.471 0.761 50 0 DCAAMO CCOCC[N@H+]1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000823331723 758236906 /nfs/dbraw/zinc/23/69/06/758236906.db2.gz ZGKRNNMDNFTACR-UHFFFAOYSA-N 1 1 319.471 0.761 50 0 DCAAMO CC(C)[N@H+]1CC[C@@H](CN(C)CCCS(=O)(=O)N(C)C)C1 ZINC000823690448 758261324 /nfs/dbraw/zinc/26/13/24/758261324.db2.gz YCSJABKVJVDVBW-AWEZNQCLSA-N 1 1 305.488 0.930 50 0 DCAAMO 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NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000253398713 186306508 /nfs/dbraw/zinc/30/65/08/186306508.db2.gz MPHFCZREDWUESX-SSDOTTSWSA-N 1 1 319.287 0.803 50 0 DCAAMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000253398713 186306509 /nfs/dbraw/zinc/30/65/09/186306509.db2.gz MPHFCZREDWUESX-SSDOTTSWSA-N 1 1 319.287 0.803 50 0 DCAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072410142 191153799 /nfs/dbraw/zinc/15/37/99/191153799.db2.gz XJUOEHKOFRDDOK-AWEZNQCLSA-N 1 1 302.382 0.638 50 0 DCAAMO Cc1nn(C)c2ncnc(NCC[N@H+]3CCCC[C@@H]3CO)c12 ZINC000072475816 191177494 /nfs/dbraw/zinc/17/74/94/191177494.db2.gz NQGFZTDGRKVYJY-GFCCVEGCSA-N 1 1 304.398 0.930 50 0 DCAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC000091562657 193073233 /nfs/dbraw/zinc/07/32/33/193073233.db2.gz RRYWZUPAMZVLJU-UHFFFAOYSA-N 1 1 323.360 0.790 50 0 DCAAMO Cc1nc(C)c(CNC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)s1 ZINC000091594999 193078002 /nfs/dbraw/zinc/07/80/02/193078002.db2.gz 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ZINC000092038111 193146807 /nfs/dbraw/zinc/14/68/07/193146807.db2.gz QNGKSTKJXADONJ-ZIAGYGMSSA-N 1 1 312.435 0.661 50 0 DCAAMO CCC[N@@H+]1CCc2nnc(CCNC(=O)[C@@H]3CCCO3)n2CC1 ZINC000012282958 181745556 /nfs/dbraw/zinc/74/55/56/181745556.db2.gz DBUPTTKEDZNGDO-ZDUSSCGKSA-N 1 1 321.425 0.384 50 0 DCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1 ZINC000019782338 182148144 /nfs/dbraw/zinc/14/81/44/182148144.db2.gz LJEAFCGOWKEYJZ-UHFFFAOYSA-N 1 1 309.341 0.603 50 0 DCAAMO COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019831208 182154370 /nfs/dbraw/zinc/15/43/70/182154370.db2.gz BSOGHSWBPMOANF-UHFFFAOYSA-N 1 1 321.377 0.472 50 0 DCAAMO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000019929898 182166118 /nfs/dbraw/zinc/16/61/18/182166118.db2.gz BQKGGVJSQRGUSI-AWEZNQCLSA-N 1 1 315.373 0.824 50 0 DCAAMO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000022817840 182335746 /nfs/dbraw/zinc/33/57/46/182335746.db2.gz UACBTVPKWHXBBD-ZDUSSCGKSA-N 1 1 309.385 0.440 50 0 DCAAMO CC(C)[C@@H](CNC(=O)[C@H](C)n1cncn1)N1CC[NH+](C)CC1 ZINC000042582864 183287002 /nfs/dbraw/zinc/28/70/02/183287002.db2.gz AEAHNJNIXDMMPG-UONOGXRCSA-N 1 1 308.430 0.227 50 0 DCAAMO C[C@H](C(=O)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)n1cccn1 ZINC000106066240 194184207 /nfs/dbraw/zinc/18/42/07/194184207.db2.gz QPJAJKFOCYWIJB-QLFBSQMISA-N 1 1 322.409 0.298 50 0 DCAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000065397857 184335868 /nfs/dbraw/zinc/33/58/68/184335868.db2.gz VYAGCLPOZKRMHA-AWEZNQCLSA-N 1 1 304.394 0.802 50 0 DCAAMO Cc1nn(C)c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000521394468 257241429 /nfs/dbraw/zinc/24/14/29/257241429.db2.gz OMXAJHUWOGKENB-QWHCGFSZSA-N 1 1 312.439 0.894 50 0 DCAAMO Cc1nn(CCCNC(=O)[C@H](C)N2CC[NH+](C)CC2)c(C)c1C ZINC000426486176 257249740 /nfs/dbraw/zinc/24/97/40/257249740.db2.gz ODICVHXGMJHYSE-INIZCTEOSA-N 1 1 321.469 0.951 50 0 DCAAMO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCCCC1 ZINC000014190626 395689347 /nfs/dbraw/zinc/68/93/47/395689347.db2.gz 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/nfs/dbraw/zinc/71/65/94/395716594.db2.gz UJKBANJHWMJPCG-GDBMZVCRSA-N 1 1 324.446 0.951 50 0 DCAAMO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000089914144 395716596 /nfs/dbraw/zinc/71/65/96/395716596.db2.gz UJKBANJHWMJPCG-GDBMZVCRSA-N 1 1 324.446 0.951 50 0 DCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC000089943349 395717699 /nfs/dbraw/zinc/71/76/99/395717699.db2.gz DTQFZRNQJAZBLD-ZDUSSCGKSA-N 1 1 303.366 0.258 50 0 DCAAMO CN1CC[N@@H+](C)[C@H](CC(=O)NCCSc2ccccn2)C1 ZINC000097475657 395758080 /nfs/dbraw/zinc/75/80/80/395758080.db2.gz BTETYZGKIYESGQ-CYBMUJFWSA-N 1 1 308.451 0.926 50 0 DCAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)NCCSc1ccccn1 ZINC000097475657 395758083 /nfs/dbraw/zinc/75/80/83/395758083.db2.gz BTETYZGKIYESGQ-CYBMUJFWSA-N 1 1 308.451 0.926 50 0 DCAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)NCCSc1ccccn1 ZINC000097475657 395758085 /nfs/dbraw/zinc/75/80/85/395758085.db2.gz BTETYZGKIYESGQ-CYBMUJFWSA-N 1 1 308.451 0.926 50 0 DCAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]2C)CC1 ZINC000107141846 395784741 /nfs/dbraw/zinc/78/47/41/395784741.db2.gz QBKWYJAOPWUOHF-HEHGZKQESA-N 1 1 322.453 0.138 50 0 DCAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)no1 ZINC000107056194 395784813 /nfs/dbraw/zinc/78/48/13/395784813.db2.gz NYERKXUJCINVLX-UONOGXRCSA-N 1 1 320.397 0.142 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)CC1 ZINC000107058219 395784875 /nfs/dbraw/zinc/78/48/75/395784875.db2.gz JTOQIOOWTUCVEZ-WBMJQRKESA-N 1 1 306.410 0.967 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)CC1 ZINC000107058219 395784877 /nfs/dbraw/zinc/78/48/77/395784877.db2.gz JTOQIOOWTUCVEZ-WBMJQRKESA-N 1 1 306.410 0.967 50 0 DCAAMO CC(=O)N1CC[NH+]([C@H]2CN(Cc3cc(C)on3)C[C@H]2C)CC1 ZINC000107058219 395784879 /nfs/dbraw/zinc/78/48/79/395784879.db2.gz JTOQIOOWTUCVEZ-WBMJQRKESA-N 1 1 306.410 0.967 50 0 DCAAMO COCC[N@H+]1CC[C@@H](C(=O)N(C)Cc2cc(COC)n[nH]2)C1 ZINC000097742957 395760083 /nfs/dbraw/zinc/76/00/83/395760083.db2.gz WHYVWUYRZJUNGE-GFCCVEGCSA-N 1 1 310.398 0.483 50 0 DCAAMO COCC[N@@H+]1CC[C@@H](C(=O)N(C)Cc2cc(COC)[nH]n2)C1 ZINC000097742957 395760084 /nfs/dbraw/zinc/76/00/84/395760084.db2.gz WHYVWUYRZJUNGE-GFCCVEGCSA-N 1 1 310.398 0.483 50 0 DCAAMO COCC[N@H+]1CC[C@@H](C(=O)N(C)Cc2cc(COC)[nH]n2)C1 ZINC000097742957 395760086 /nfs/dbraw/zinc/76/00/86/395760086.db2.gz WHYVWUYRZJUNGE-GFCCVEGCSA-N 1 1 310.398 0.483 50 0 DCAAMO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000045674822 395765159 /nfs/dbraw/zinc/76/51/59/395765159.db2.gz RUVZQKZRUFNIIH-OLZOCXBDSA-N 1 1 317.455 0.595 50 0 DCAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000045674822 395765162 /nfs/dbraw/zinc/76/51/62/395765162.db2.gz RUVZQKZRUFNIIH-OLZOCXBDSA-N 1 1 317.455 0.595 50 0 DCAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Nc1cc[nH]n1 ZINC000049543683 395832405 /nfs/dbraw/zinc/83/24/05/395832405.db2.gz FMOHRHZYUWIUEQ-NWDGAFQWSA-N 1 1 305.382 0.729 50 0 biogenic DCAAMO Cc1nn(CC(=O)NCC[C@H](C)N2CC[NH+](C)CC2)c(C)c1C ZINC000215626923 395836732 /nfs/dbraw/zinc/83/67/32/395836732.db2.gz QUECXCQRACTPNN-ZDUSSCGKSA-N 1 1 321.469 0.951 50 0 DCAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CCNC(=O)C2)C[C@@H](C)O1 ZINC000225422099 395860275 /nfs/dbraw/zinc/86/02/75/395860275.db2.gz OXVCBCGUTDQNRF-UPJWGTAASA-N 1 1 311.426 0.517 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)NCc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000220312768 395847782 /nfs/dbraw/zinc/84/77/82/395847782.db2.gz GMKXQALTHKGLBC-UHFFFAOYSA-N 1 1 307.442 0.961 50 0 DCAAMO COCC[NH+]1CCN(CC(=O)NCc2cccc(OC)c2)CC1 ZINC000054187897 395895525 /nfs/dbraw/zinc/89/55/25/395895525.db2.gz HOFIPLNFKWNCJZ-UHFFFAOYSA-N 1 1 321.421 0.575 50 0 DCAAMO CCC1(CO)CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000124330448 395901041 /nfs/dbraw/zinc/90/10/41/395901041.db2.gz YXDPKUIYZAQHPU-ZIAGYGMSSA-N 1 1 313.442 0.900 50 0 DCAAMO CCC1(CO)CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000124330448 395901042 /nfs/dbraw/zinc/90/10/42/395901042.db2.gz YXDPKUIYZAQHPU-ZIAGYGMSSA-N 1 1 313.442 0.900 50 0 DCAAMO CC1(C)C[N@@H+](CCC2OCCO2)CCN1CCC1OCCO1 ZINC000125027185 395902104 /nfs/dbraw/zinc/90/21/04/395902104.db2.gz KBNFDEHSKRVNTG-UHFFFAOYSA-N 1 1 314.426 0.909 50 0 DCAAMO CC1(C)CN(CCC2OCCO2)CC[N@@H+]1CCC1OCCO1 ZINC000125027185 395902106 /nfs/dbraw/zinc/90/21/06/395902106.db2.gz KBNFDEHSKRVNTG-UHFFFAOYSA-N 1 1 314.426 0.909 50 0 DCAAMO CC1(C)CN(CCC2OCCO2)CC[N@H+]1CCC1OCCO1 ZINC000125027185 395902107 /nfs/dbraw/zinc/90/21/07/395902107.db2.gz KBNFDEHSKRVNTG-UHFFFAOYSA-N 1 1 314.426 0.909 50 0 DCAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCCc2ccccc2O)C1 ZINC000055108364 395911463 /nfs/dbraw/zinc/91/14/63/395911463.db2.gz WWZSLRHNCUGWJK-AWEZNQCLSA-N 1 1 319.405 0.638 50 0 DCAAMO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000225747389 395862949 /nfs/dbraw/zinc/86/29/49/395862949.db2.gz OSCOVMOZBOVKBL-SOUVJXGZSA-N 1 1 323.437 0.567 50 0 DCAAMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C2)n1 ZINC000229292143 395874240 /nfs/dbraw/zinc/87/42/40/395874240.db2.gz DRDBOMQNAOBIOU-WCQYABFASA-N 1 1 308.382 0.805 50 0 DCAAMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C2)n1 ZINC000229292143 395874243 /nfs/dbraw/zinc/87/42/43/395874243.db2.gz DRDBOMQNAOBIOU-WCQYABFASA-N 1 1 308.382 0.805 50 0 DCAAMO C[C@H](C(=O)N1CCOCC1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229475280 395874845 /nfs/dbraw/zinc/87/48/45/395874845.db2.gz OMNKPVBRMLZXHI-ZIAGYGMSSA-N 1 1 307.398 0.237 50 0 DCAAMO CN1CCC([N@@H+]2CC[C@H](n3c(=O)[nH]c4cncnc43)C2)CC1 ZINC000065256791 395991618 /nfs/dbraw/zinc/99/16/18/395991618.db2.gz XRIAHRSHZMBDJX-LBPRGKRZSA-N 1 1 302.382 0.461 50 0 DCAAMO CN1CCC([N@H+]2CC[C@H](n3c(=O)[nH]c4cncnc43)C2)CC1 ZINC000065256791 395991619 /nfs/dbraw/zinc/99/16/19/395991619.db2.gz XRIAHRSHZMBDJX-LBPRGKRZSA-N 1 1 302.382 0.461 50 0 DCAAMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000069664892 396086377 /nfs/dbraw/zinc/08/63/77/396086377.db2.gz SMNAROHSJSFFCY-LBPRGKRZSA-N 1 1 302.378 0.630 50 0 DCAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]2C1=O ZINC000169751598 396091159 /nfs/dbraw/zinc/09/11/59/396091159.db2.gz IFQAUPMUZDWFAD-GASCZTMLSA-N 1 1 318.373 0.758 50 0 DCAAMO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000069843670 396091859 /nfs/dbraw/zinc/09/18/59/396091859.db2.gz IRUZDODHHQGWPC-OLZOCXBDSA-N 1 1 302.440 0.896 50 0 DCAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000069843670 396091861 /nfs/dbraw/zinc/09/18/61/396091861.db2.gz IRUZDODHHQGWPC-OLZOCXBDSA-N 1 1 302.440 0.896 50 0 DCAAMO COCC[NH+]1CCN(CC(=O)NCCc2ccccc2C)CC1 ZINC000069952152 396095965 /nfs/dbraw/zinc/09/59/65/396095965.db2.gz DTCOYCRWWGDVLN-UHFFFAOYSA-N 1 1 319.449 0.918 50 0 DCAAMO CCCS(=O)(=O)CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069952010 396096200 /nfs/dbraw/zinc/09/62/00/396096200.db2.gz DQPOPXLRZDIYKQ-OLZOCXBDSA-N 1 1 302.440 0.896 50 0 DCAAMO CCCS(=O)(=O)CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000069952010 396096205 /nfs/dbraw/zinc/09/62/05/396096205.db2.gz 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/nfs/dbraw/zinc/06/90/37/416069037.db2.gz OZFQJXTVSZIRSN-HNNXBMFYSA-N 1 1 305.426 0.512 50 0 DCAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)c1c[nH]c(=O)c(Cl)c1 ZINC000299789667 416069340 /nfs/dbraw/zinc/06/93/40/416069340.db2.gz ZTPHRHWWZUBISH-JTQLQIEISA-N 1 1 313.785 0.875 50 0 DCAAMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cc2ccncc2)CC1 ZINC000299799078 416070890 /nfs/dbraw/zinc/07/08/90/416070890.db2.gz VAZCNDJTFYQWKJ-UHFFFAOYSA-N 1 1 304.394 0.247 50 0 DCAAMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cc2ccncc2)CC1 ZINC000299799078 416070893 /nfs/dbraw/zinc/07/08/93/416070893.db2.gz VAZCNDJTFYQWKJ-UHFFFAOYSA-N 1 1 304.394 0.247 50 0 DCAAMO CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CC[NH2+]CC2 ZINC000299797109 416072026 /nfs/dbraw/zinc/07/20/26/416072026.db2.gz MIWLMSCHLVXHSS-LBPRGKRZSA-N 1 1 308.430 0.189 50 0 DCAAMO c1ncn(CC[N@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000229948098 416328121 /nfs/dbraw/zinc/32/81/21/416328121.db2.gz UWYDCLQLZWCBLW-IAGOWNOFSA-N 1 1 313.405 0.863 50 0 DCAAMO C[NH+](C)CCOc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000244678654 416330855 /nfs/dbraw/zinc/33/08/55/416330855.db2.gz IHQAWDUOUHFDJA-KGLIPLIRSA-N 1 1 308.378 0.647 50 0 DCAAMO C[NH+](C)CCOc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000244678654 416330856 /nfs/dbraw/zinc/33/08/56/416330856.db2.gz IHQAWDUOUHFDJA-KGLIPLIRSA-N 1 1 308.378 0.647 50 0 DCAAMO COCC[N@H+]1CCC[C@H](CN(C)C(=O)c2csc(N)n2)C1 ZINC000584900916 416516958 /nfs/dbraw/zinc/51/69/58/416516958.db2.gz BNQLOMODIAKXGD-LLVKDONJSA-N 1 1 312.439 1.156 50 0 DCAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCc2nc(N)nc(N(C)C)n2)C1 ZINC000426574917 416775934 /nfs/dbraw/zinc/77/59/34/416775934.db2.gz MGJOBSBJMVUTHL-NSHDSACASA-N 1 1 321.429 0.256 50 0 DCAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000370211015 416890147 /nfs/dbraw/zinc/89/01/47/416890147.db2.gz AWJIIONDWCWIPA-NEPJUHHUSA-N 1 1 320.459 0.179 50 0 DCAAMO CC(=O)N[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000042028306 277050999 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/nfs/dbraw/zinc/11/61/43/396116143.db2.gz FJUZAUCZIIWKRW-GFCCVEGCSA-N 1 1 322.409 0.306 50 0 DCAAMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2nc(-c3ccco3)oc2=O)C[C@H](C)O1 ZINC000071825101 396117010 /nfs/dbraw/zinc/11/70/10/396117010.db2.gz BZICFCPHWAXTFG-TUAOUCFPSA-N 1 1 323.349 0.566 50 0 DCAAMO C[C@@H]1C[N@H+](C[C@H](O)Cn2nc(-c3ccco3)oc2=O)C[C@H](C)O1 ZINC000071825101 396117012 /nfs/dbraw/zinc/11/70/12/396117012.db2.gz BZICFCPHWAXTFG-TUAOUCFPSA-N 1 1 323.349 0.566 50 0 DCAAMO O=C(Cn1c(=O)cnc2ccccc21)N1CC[NH+](C2CC2)CC1 ZINC000071836766 396117772 /nfs/dbraw/zinc/11/77/72/396117772.db2.gz GTAPWVLQCKAEPA-UHFFFAOYSA-N 1 1 312.373 0.703 50 0 DCAAMO O=c1cc(C[N@H+]2CCC[C@H]2Cn2cncn2)nc2ccccn12 ZINC000071875139 396120533 /nfs/dbraw/zinc/12/05/33/396120533.db2.gz WCKDHAPJLYJBIK-AWEZNQCLSA-N 1 1 310.361 0.951 50 0 DCAAMO CC(C)c1nc(CN2CCC[N@@H+](CCn3cncn3)CC2)no1 ZINC000071871666 396120567 /nfs/dbraw/zinc/12/05/67/396120567.db2.gz LXCQWZORXYSGHQ-UHFFFAOYSA-N 1 1 319.413 0.992 50 0 DCAAMO C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000071877162 396121435 /nfs/dbraw/zinc/12/14/35/396121435.db2.gz ZPDHBEFMPABERU-WMZOPIPTSA-N 1 1 321.465 0.478 50 0 DCAAMO C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000071877162 396121438 /nfs/dbraw/zinc/12/14/38/396121438.db2.gz ZPDHBEFMPABERU-WMZOPIPTSA-N 1 1 321.465 0.478 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2cn3ccccc3n2)CC1 ZINC000071881028 396122565 /nfs/dbraw/zinc/12/25/65/396122565.db2.gz MIPKSWQMQXGNJK-OAHLLOKOSA-N 1 1 316.405 0.792 50 0 DCAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2cccn3ccnc23)CC1 ZINC000071881839 396122961 /nfs/dbraw/zinc/12/29/61/396122961.db2.gz GHUVLGDIYOQKCH-UHFFFAOYSA-N 1 1 302.378 0.863 50 0 DCAAMO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000071907434 396124739 /nfs/dbraw/zinc/12/47/39/396124739.db2.gz OYNPJUWKOGISKJ-OAHLLOKOSA-N 1 1 305.378 0.528 50 0 DCAAMO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000071907434 396124743 /nfs/dbraw/zinc/12/47/43/396124743.db2.gz 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/nfs/dbraw/zinc/08/47/45/396084745.db2.gz ALNJXDMZEDWIBV-ZIAGYGMSSA-N 1 1 312.439 0.161 50 0 DCAAMO COc1ccnc(N2CCN(CC[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000075109091 396176137 /nfs/dbraw/zinc/17/61/37/396176137.db2.gz OVNVWDULKOTHAH-CQSZACIVSA-N 1 1 305.426 0.949 50 0 DCAAMO CCn1ccnc1CN1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000075132019 396176871 /nfs/dbraw/zinc/17/68/71/396176871.db2.gz BHZZLOZWTRJPAA-HOTGVXAUSA-N 1 1 321.469 0.740 50 0 DCAAMO Cn1cc(CCC[N@@H+]2CCO[C@H](CNc3cccnn3)C2)cn1 ZINC000078893710 396256773 /nfs/dbraw/zinc/25/67/73/396256773.db2.gz FKCBKIJEHAGNSB-OAHLLOKOSA-N 1 1 316.409 0.956 50 0 DCAAMO Cn1cc(CCC[N@H+]2CCO[C@H](CNc3cccnn3)C2)cn1 ZINC000078893710 396256775 /nfs/dbraw/zinc/25/67/75/396256775.db2.gz FKCBKIJEHAGNSB-OAHLLOKOSA-N 1 1 316.409 0.956 50 0 DCAAMO Cn1cc(C[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)cn1 ZINC000078988329 396259462 /nfs/dbraw/zinc/25/94/62/396259462.db2.gz AMIZPUJHOSIBPB-HIFRSBDPSA-N 1 1 306.410 0.580 50 0 DCAAMO CCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000584898579 396635880 /nfs/dbraw/zinc/63/58/80/396635880.db2.gz KMBHSGCHEPWFLL-GFCCVEGCSA-N 1 1 308.382 0.892 50 0 DCAAMO COCC[NH+]1CCN(C(=O)NCCCn2ccccc2=O)CC1 ZINC000584900665 396636554 /nfs/dbraw/zinc/63/65/54/396636554.db2.gz SNLFDVPMCYNCHI-UHFFFAOYSA-N 1 1 322.409 0.212 50 0 DCAAMO CC1=[NH+]N(CC(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000005147989 415133501 /nfs/dbraw/zinc/13/35/01/415133501.db2.gz XZSOWZBRDJQUGU-SNVBAGLBSA-N 1 1 318.381 0.847 50 0 DCAAMO NC(=O)C[NH+]1CCC(NC(=O)N2CCc3sccc3C2)CC1 ZINC000045608354 415250198 /nfs/dbraw/zinc/25/01/98/415250198.db2.gz GQZALHVFTNLCJU-UHFFFAOYSA-N 1 1 322.434 0.766 50 0 DCAAMO O=C(CCn1cccn1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000046050190 415256981 /nfs/dbraw/zinc/25/69/81/415256981.db2.gz YOMVFOJEAGJXQS-CABCVRRESA-N 1 1 322.409 0.127 50 0 DCAAMO CC(C)c1nc(CC(=O)NC2CC[NH+](CC(N)=O)CC2)cs1 ZINC000046747253 415259364 /nfs/dbraw/zinc/25/93/64/415259364.db2.gz 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415521633 /nfs/dbraw/zinc/52/16/33/415521633.db2.gz PGGASKQXWGYJTI-GFCCVEGCSA-N 1 1 310.398 0.116 50 0 DCAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)cc(C)n1 ZINC000091426201 415533979 /nfs/dbraw/zinc/53/39/79/415533979.db2.gz FICWYFUJDUKACX-HZPDHXFCSA-N 1 1 321.421 0.303 50 0 DCAAMO COC(=O)C[C@H](C(=O)OC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095186673 415546985 /nfs/dbraw/zinc/54/69/85/415546985.db2.gz RRXNDDWYFLJWDW-OAHLLOKOSA-N 1 1 320.389 0.909 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cn(C)nc2SC)CC1 ZINC000095458636 415562063 /nfs/dbraw/zinc/56/20/63/415562063.db2.gz JNAFMDNATJZKAW-LLVKDONJSA-N 1 1 312.439 0.671 50 0 DCAAMO Cn1cc(N2CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2=O)cn1 ZINC000095971141 415569405 /nfs/dbraw/zinc/56/94/05/415569405.db2.gz DWYYPJQZZSNIEV-OAHLLOKOSA-N 1 1 313.361 0.295 50 0 DCAAMO CCc1nnc(CNC(=O)CC[N@@H+](C)[C@@H]2CCN(C)C2)s1 ZINC000299762184 416064252 /nfs/dbraw/zinc/06/42/52/416064252.db2.gz LTBJMBRJTLPJRH-LLVKDONJSA-N 1 1 311.455 0.743 50 0 DCAAMO CCc1nnc(CNC(=O)CCN(C)[C@@H]2CC[N@H+](C)C2)s1 ZINC000299762184 416064254 /nfs/dbraw/zinc/06/42/54/416064254.db2.gz LTBJMBRJTLPJRH-LLVKDONJSA-N 1 1 311.455 0.743 50 0 DCAAMO CCc1nnc(CNC(=O)CCN(C)[C@@H]2CC[N@@H+](C)C2)s1 ZINC000299762184 416064258 /nfs/dbraw/zinc/06/42/58/416064258.db2.gz LTBJMBRJTLPJRH-LLVKDONJSA-N 1 1 311.455 0.743 50 0 DCAAMO CCc1n[nH]cc1C(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000299777008 416067867 /nfs/dbraw/zinc/06/78/67/416067867.db2.gz GSPJRDBJUPKWAV-UHFFFAOYSA-N 1 1 319.409 0.445 50 0 DCAAMO COCCN1C[C@@H](C[N@H+]2CCc3nc[nH]c(=O)c3C2)CC1=O ZINC000299792449 416069608 /nfs/dbraw/zinc/06/96/08/416069608.db2.gz FYVRAFPNICMHLO-LLVKDONJSA-N 1 1 306.366 0.035 50 0 DCAAMO C[N@H+]1CCN2CCN(C(=O)c3cc(Cl)c[nH]c3=O)C[C@H]2C1 ZINC000253531244 416334807 /nfs/dbraw/zinc/33/48/07/416334807.db2.gz JKZMPDAZLMEBEO-LLVKDONJSA-N 1 1 310.785 0.512 50 0 DCAAMO CN(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000244787960 416331042 /nfs/dbraw/zinc/33/10/42/416331042.db2.gz 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ZINC000040490221 301353863 /nfs/dbraw/zinc/35/38/63/301353863.db2.gz AYAYZHWFEUAKPJ-CHWSQXEVSA-N 1 1 324.381 0.842 50 0 DCAAMO C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)Cc2cccs2)CC1 ZINC000534634930 334309176 /nfs/dbraw/zinc/30/91/76/334309176.db2.gz NQOALIOGIZGYKS-KBPBESRZSA-N 1 1 309.435 0.422 50 0 DCAAMO O=C(Cc1cnccn1)N1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000215995488 545938698 /nfs/dbraw/zinc/93/86/98/545938698.db2.gz FCRWLHKYBJGYLS-CQSZACIVSA-N 1 1 318.421 0.714 50 0 DCAAMO CN(Cc1ncc[nH]1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000426651177 661690045 /nfs/dbraw/zinc/69/00/45/661690045.db2.gz BTHLQCDVTQEFGM-GFCCVEGCSA-N 1 1 322.413 0.139 50 0 DCAAMO CN(C(=O)[C@@H]1CCCCC[N@@H+]1C)C1CCS(=O)(=O)CC1 ZINC000952967759 685598651 /nfs/dbraw/zinc/59/86/51/685598651.db2.gz LWNBDHOJKKDLAB-ZDUSSCGKSA-N 1 1 302.440 0.896 50 0 DCAAMO CN(C(=O)[C@@H]1CCCCC[N@H+]1C)C1CCS(=O)(=O)CC1 ZINC000952967759 685598657 /nfs/dbraw/zinc/59/86/57/685598657.db2.gz LWNBDHOJKKDLAB-ZDUSSCGKSA-N 1 1 302.440 0.896 50 0 DCAAMO Cc1nc(CNC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)sc1C ZINC000952972212 685599780 /nfs/dbraw/zinc/59/97/80/685599780.db2.gz ZWBWNRRNBZCOST-NSHDSACASA-N 1 1 310.423 0.573 50 0 DCAAMO CCCn1ccnc1CNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952989142 685602650 /nfs/dbraw/zinc/60/26/50/685602650.db2.gz VGPHPWNPYXSJEA-GFCCVEGCSA-N 1 1 307.398 0.107 50 0 DCAAMO O=C1N[C@H](Cc2ccccc2)C(=O)N2CC[N@@H+](CC3CC3)C[C@H]12 ZINC000014743367 685048769 /nfs/dbraw/zinc/04/87/69/685048769.db2.gz NIQDAYVWVPVRKH-HZPDHXFCSA-N 1 1 313.401 0.650 50 0 DCAAMO C[C@@H](CC1=CCC[N@H+](CC(N)=O)C1)NC(=O)c1cccnc1 ZINC000067654199 685069351 /nfs/dbraw/zinc/06/93/51/685069351.db2.gz ZKKYGJBXTZEEBV-LBPRGKRZSA-N 1 1 302.378 0.707 50 0 DCAAMO C[C@@H](CC1=CCC[N@@H+](CC(N)=O)C1)NC(=O)c1cccnc1 ZINC000067654199 685069360 /nfs/dbraw/zinc/06/93/60/685069360.db2.gz ZKKYGJBXTZEEBV-LBPRGKRZSA-N 1 1 302.378 0.707 50 0 DCAAMO CC(C)n1cc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000077471854 685081192 /nfs/dbraw/zinc/08/11/92/685081192.db2.gz 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ZINC001704355039 1179983052 /nfs/dbraw/zinc/98/30/52/1179983052.db2.gz KTCVWUCIPTVXFM-UHFFFAOYSA-N 1 1 315.377 0.943 50 0 DCAAMO CC[N@@H+](CCn1cccn1)CC(=O)Nc1ccc(C(N)=O)cc1 ZINC001704355039 1179983057 /nfs/dbraw/zinc/98/30/57/1179983057.db2.gz KTCVWUCIPTVXFM-UHFFFAOYSA-N 1 1 315.377 0.943 50 0 DCAAMO CCS(=O)(=O)NC[C@H](C)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000823412739 758246352 /nfs/dbraw/zinc/24/63/52/758246352.db2.gz ONIYQGFIWFSPSW-ZDUSSCGKSA-N 1 1 303.472 0.732 50 0 DCAAMO CCS(=O)(=O)NC[C@H](C)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000823412739 758246359 /nfs/dbraw/zinc/24/63/59/758246359.db2.gz ONIYQGFIWFSPSW-ZDUSSCGKSA-N 1 1 303.472 0.732 50 0 DCAAMO Cc1cc(C)n(CC[N@H+](C)CCCS(=O)(=O)N(C)C)n1 ZINC000823704629 758263671 /nfs/dbraw/zinc/26/36/71/758263671.db2.gz UZUHHSHWBCTLAV-UHFFFAOYSA-N 1 1 302.444 0.713 50 0 DCAAMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C(N)=O)cs2)C1 ZINC000823770608 758266263 /nfs/dbraw/zinc/26/62/63/758266263.db2.gz JNUQARUJVZPVMD-VIFPVBQESA-N 1 1 317.436 0.467 50 0 DCAAMO 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317.455 0.353 50 0 DCAAMO O=C(CO)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072148259 191054755 /nfs/dbraw/zinc/05/47/55/191054755.db2.gz SHCCTVZOVPWVIC-AWEZNQCLSA-N 1 1 321.396 0.931 50 0 DCAAMO Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[NH+](C)CC2)o1 ZINC000072239859 191084098 /nfs/dbraw/zinc/08/40/98/191084098.db2.gz BLCCAORTIRQIJI-CQSZACIVSA-N 1 1 305.378 0.853 50 0 DCAAMO CCCNC(=O)C[NH+]1CCC(Nc2nccn3cnnc23)CC1 ZINC000072289818 191107975 /nfs/dbraw/zinc/10/79/75/191107975.db2.gz ZHYVWIMGIXWILI-UHFFFAOYSA-N 1 1 317.397 0.527 50 0 DCAAMO Cc1ccc(NCCCNC(=O)[C@H](C)NS(C)(=O)=O)[nH+]c1 ZINC000172364173 198085921 /nfs/dbraw/zinc/08/59/21/198085921.db2.gz MIKZBKRWNKWIMM-NSHDSACASA-N 1 1 314.411 0.246 50 0 DCAAMO Cn1c(CCNC(=O)[C@H]2[NH2+]CCc3nc[nH]c32)nc2ccccc21 ZINC000072436082 191166712 /nfs/dbraw/zinc/16/67/12/191166712.db2.gz MGIUMDRDEDZDEJ-INIZCTEOSA-N 1 1 324.388 0.842 50 0 DCAAMO C[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000005122992 181206349 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ZINC000257196159 396036295 /nfs/dbraw/zinc/03/62/95/396036295.db2.gz XRTBVSNNJDRIDJ-LSDHHAIUSA-N 1 1 314.389 0.643 50 0 DCAAMO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3C[N@H+](C)C[C@H]3C)cc12 ZINC000257366037 396046889 /nfs/dbraw/zinc/04/68/89/396046889.db2.gz HFKPYLKSIKNOMF-RNCFNFMXSA-N 1 1 323.422 0.505 50 0 DCAAMO C[NH+]1CCN(C(=O)C[C@H]2NC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252494366 396020898 /nfs/dbraw/zinc/02/08/98/396020898.db2.gz NTVCZQLEZBGHLS-CYBMUJFWSA-N 1 1 316.361 0.480 50 0 DCAAMO Cc1ccc(CN(C)C(=O)CN2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000069656618 396085834 /nfs/dbraw/zinc/08/58/34/396085834.db2.gz DWHVYOVONJLVLL-ZDUSSCGKSA-N 1 1 309.410 0.545 50 0 DCAAMO CC(C)NC(=O)CN(C)CC(C)C[N@@H+](C)CC(=O)NC(C)C ZINC000069658527 396086266 /nfs/dbraw/zinc/08/62/66/396086266.db2.gz DXRBBHSTTUSXID-UHFFFAOYSA-N 1 1 314.474 0.535 50 0 DCAAMO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000069700476 396087204 /nfs/dbraw/zinc/08/72/04/396087204.db2.gz OCRJMGAGSXRBDS-ZIAGYGMSSA-N 1 1 320.455 0.299 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000069700476 396087206 /nfs/dbraw/zinc/08/72/06/396087206.db2.gz OCRJMGAGSXRBDS-ZIAGYGMSSA-N 1 1 320.455 0.299 50 0 DCAAMO COCCCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(C)=O ZINC000069705839 396088003 /nfs/dbraw/zinc/08/80/03/396088003.db2.gz XVNVWOKZAYTFST-CABCVRRESA-N 1 1 311.426 0.614 50 0 DCAAMO COCCC(=O)N1CCc2nc(N3CC[NH+](C)CC3)sc2C1 ZINC000169749259 396091154 /nfs/dbraw/zinc/09/11/54/396091154.db2.gz XFDVKTYARXABSF-UHFFFAOYSA-N 1 1 324.450 0.816 50 0 DCAAMO Cn1ccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000170608703 396095064 /nfs/dbraw/zinc/09/50/64/396095064.db2.gz NSKPBENNLCOAAT-UHFFFAOYSA-N 1 1 311.451 0.720 50 0 DCAAMO COCC[N@@H+]1CCN(CC(=O)N(C)Cc2ccco2)C[C@@H]1C ZINC000070006266 396096870 /nfs/dbraw/zinc/09/68/70/396096870.db2.gz WBNFCZLGIZDWJJ-AWEZNQCLSA-N 1 1 309.410 0.891 50 0 DCAAMO COCC[N@H+]1CCN(CC(=O)N(C)Cc2ccco2)C[C@@H]1C ZINC000070006266 396096877 /nfs/dbraw/zinc/09/68/77/396096877.db2.gz 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/nfs/dbraw/zinc/08/05/05/396080505.db2.gz CFUKZMMEXQIXKM-UHFFFAOYSA-N 1 1 324.425 0.067 50 0 DCAAMO Cc1ncc2c(n1)CN(C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000069492723 396080620 /nfs/dbraw/zinc/08/06/20/396080620.db2.gz MMOWEBQMCXWBDY-DVOMOZLQSA-N 1 1 320.437 0.613 50 0 DCAAMO Cc1ncc2c(n1)CN(C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000069492723 396080624 /nfs/dbraw/zinc/08/06/24/396080624.db2.gz MMOWEBQMCXWBDY-DVOMOZLQSA-N 1 1 320.437 0.613 50 0 DCAAMO NC(=O)CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000069589224 396083588 /nfs/dbraw/zinc/08/35/88/396083588.db2.gz QNNRHFSORNWEKM-LBPRGKRZSA-N 1 1 311.407 0.305 50 0 DCAAMO COCC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2)C1 ZINC000078602747 396249174 /nfs/dbraw/zinc/24/91/74/396249174.db2.gz FFNWAGVGKLJCLW-ZDUSSCGKSA-N 1 1 306.366 0.247 50 0 DCAAMO CC(C)NC(=O)CC[N@@H+]1CCO[C@@H](CNc2cccnn2)C1 ZINC000078893395 396257168 /nfs/dbraw/zinc/25/71/68/396257168.db2.gz MLPCFAKANLZLIF-ZDUSSCGKSA-N 1 1 307.398 0.504 50 0 DCAAMO CC(C)NC(=O)CC[N@H+]1CCO[C@@H](CNc2cccnn2)C1 ZINC000078893395 396257170 /nfs/dbraw/zinc/25/71/70/396257170.db2.gz MLPCFAKANLZLIF-ZDUSSCGKSA-N 1 1 307.398 0.504 50 0 DCAAMO Cn1cc(C[C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)cn1 ZINC000078988322 396259245 /nfs/dbraw/zinc/25/92/45/396259245.db2.gz AMIZPUJHOSIBPB-ZFWWWQNUSA-N 1 1 306.410 0.580 50 0 DCAAMO O[C@@]1(C[NH+]2CCCC2)COCCN(c2ncnc3[nH]cnc32)C1 ZINC000077303135 396218250 /nfs/dbraw/zinc/21/82/50/396218250.db2.gz XOKQNUYWAMHPDH-OAHLLOKOSA-N 1 1 318.381 0.016 50 0 DCAAMO Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)n[nH]1 ZINC000179122494 396221864 /nfs/dbraw/zinc/22/18/64/396221864.db2.gz PZCYWAMKWGNMFA-NSHDSACASA-N 1 1 302.382 0.861 50 0 DCAAMO C[N@H+]1CC[C@H]2CN(c3ccc(C(=O)N4CCOCC4)cn3)C[C@H]21 ZINC000077517742 396224978 /nfs/dbraw/zinc/22/49/78/396224978.db2.gz FFXPETCLGYGNJW-LSDHHAIUSA-N 1 1 316.405 0.694 50 0 DCAAMO C[N@H+]1CCCN(CC(=O)N[C@H]2COc3ccccc3C2)CC1 ZINC000584899062 396636296 /nfs/dbraw/zinc/63/62/96/396636296.db2.gz 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ZINC000008756552 415144353 /nfs/dbraw/zinc/14/43/53/415144353.db2.gz NEPKQZHHQQHRFZ-MRXNPFEDSA-N 1 1 317.393 0.050 50 0 DCAAMO C[NH+]1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000027938967 415171902 /nfs/dbraw/zinc/17/19/02/415171902.db2.gz MLJOFJLBTXZFOU-UHFFFAOYSA-N 1 1 301.188 0.810 50 0 DCAAMO CC(=O)N[C@H](C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000036309770 415191922 /nfs/dbraw/zinc/19/19/22/415191922.db2.gz BOEVKAIPBACNRS-CYBMUJFWSA-N 1 1 311.426 0.662 50 0 DCAAMO Cc1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)nn1C(C)(C)C ZINC000045056807 415244486 /nfs/dbraw/zinc/24/44/86/415244486.db2.gz VBACBWFENMZILK-UHFFFAOYSA-N 1 1 321.425 0.626 50 0 DCAAMO C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000047614655 415275095 /nfs/dbraw/zinc/27/50/95/415275095.db2.gz HNOYIKRZLPYPCY-CYBMUJFWSA-N 1 1 302.378 0.204 50 0 DCAAMO CCOc1ncccc1NC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000048207507 415286242 /nfs/dbraw/zinc/28/62/42/415286242.db2.gz DSQIIRWNSHDAMP-UHFFFAOYSA-N 1 1 321.381 0.552 50 0 DCAAMO CN(C)CC[NH+]1CCC(NC(=O)NCc2cccnc2)CC1 ZINC000075572573 415445787 /nfs/dbraw/zinc/44/57/87/415445787.db2.gz TZAMGOBUUIKMDO-UHFFFAOYSA-N 1 1 305.426 0.907 50 0 DCAAMO Cc1[nH]ccc1C(=O)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091254331 415536592 /nfs/dbraw/zinc/53/65/92/415536592.db2.gz XEIPMEKVPOVAOS-HUUCEWRRSA-N 1 1 321.421 0.726 50 0 DCAAMO O=C(NCCc1c[nH]cn1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095367320 415552806 /nfs/dbraw/zinc/55/28/06/415552806.db2.gz PVSUKJDJQZILIK-CYBMUJFWSA-N 1 1 306.410 0.959 50 0 DCAAMO O=C(NCCc1cnc[nH]1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095367320 415552816 /nfs/dbraw/zinc/55/28/16/415552816.db2.gz PVSUKJDJQZILIK-CYBMUJFWSA-N 1 1 306.410 0.959 50 0 DCAAMO O=C(NCCc1cnc[nH]1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095367320 415552823 /nfs/dbraw/zinc/55/28/23/415552823.db2.gz PVSUKJDJQZILIK-CYBMUJFWSA-N 1 1 306.410 0.959 50 0 DCAAMO CNC(=O)NC(=O)C[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000095986386 415569765 /nfs/dbraw/zinc/56/97/65/415569765.db2.gz 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O[C@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCOCC1 ZINC000019770747 182145184 /nfs/dbraw/zinc/14/51/84/182145184.db2.gz RPEZPIZPVMBCDB-UONOGXRCSA-N 1 1 309.362 0.536 50 0 DCAAMO O=C1NC(=O)[C@@]2(N1)C1CN3CC2(c2ccccc2)C[N@@H+](C1)CC3 ZINC000019866125 182157779 /nfs/dbraw/zinc/15/77/79/182157779.db2.gz NDEYEWNCRURSJL-IMRCBTMISA-N 1 1 312.373 0.604 50 0 DCAAMO CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCOCC1)C(=O)OC ZINC000020357794 182211159 /nfs/dbraw/zinc/21/11/59/182211159.db2.gz CTWCFLTWOSPUGK-STQMWFEESA-N 1 1 315.414 0.596 50 0 DCAAMO O=C(CN1CCCC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000039385555 183017089 /nfs/dbraw/zinc/01/70/89/183017089.db2.gz CQMUYWLKEOHLBQ-UHFFFAOYSA-N 1 1 301.390 0.953 50 0 DCAAMO CC[C@@H](O)Cn1cc(C2=CC[N@H+](CCNC(C)=O)CC2)cn1 ZINC000065496933 184354758 /nfs/dbraw/zinc/35/47/58/184354758.db2.gz NNTAMWVYRWSMDH-MRXNPFEDSA-N 1 1 306.410 0.879 50 0 DCAAMO CC[C@@H](O)Cn1cc(C2=CC[N@@H+](CCNC(C)=O)CC2)cn1 ZINC000065496933 184354759 /nfs/dbraw/zinc/35/47/59/184354759.db2.gz 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257249116 /nfs/dbraw/zinc/24/91/16/257249116.db2.gz JUSFSSKLKNAFOF-SNVBAGLBSA-N 1 1 300.790 0.948 50 0 DCAAMO Cc1n[nH]c(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c1Cl ZINC000426489531 257249117 /nfs/dbraw/zinc/24/91/17/257249117.db2.gz JUSFSSKLKNAFOF-SNVBAGLBSA-N 1 1 300.790 0.948 50 0 DCAAMO COc1cc(OC)c(OC)cc1CN1CC[NH+](CCO)CC1 ZINC000022585283 395691907 /nfs/dbraw/zinc/69/19/07/395691907.db2.gz CKHDTELUEPFMJU-UHFFFAOYSA-N 1 1 310.394 0.822 50 0 DCAAMO C[N@H+]1CCCN(C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000089375384 395710606 /nfs/dbraw/zinc/71/06/06/395710606.db2.gz LSQABKJYXXQXRW-UHFFFAOYSA-N 1 1 315.381 0.509 50 0 DCAAMO COc1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1C ZINC000032876316 395714199 /nfs/dbraw/zinc/71/41/99/395714199.db2.gz GYLXUUGWKAYNKL-UHFFFAOYSA-N 1 1 305.378 0.683 50 0 DCAAMO CC(C)[NH+]1CCN(C(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000089885201 395715927 /nfs/dbraw/zinc/71/59/27/395715927.db2.gz LUTSYNAPROEFQX-UHFFFAOYSA-N 1 1 311.407 0.500 50 0 DCAAMO C[N@@H+]1CC=C(c2noc(CCC(=O)N3CCOCC3)n2)CC1 ZINC000033069134 395716182 /nfs/dbraw/zinc/71/61/82/395716182.db2.gz LXEFDUHFRYUAAV-UHFFFAOYSA-N 1 1 306.366 0.580 50 0 DCAAMO CC(=O)N1CCCN([C@H]2C[N@H+](CCn3cccn3)C[C@@H]2C)CC1 ZINC000089937263 395716914 /nfs/dbraw/zinc/71/69/14/395716914.db2.gz LETWVOXKHYUYSR-RDJZCZTQSA-N 1 1 319.453 0.758 50 0 DCAAMO CC(=O)N1CCC[N@@H+]([C@H]2CN(CCn3cccn3)C[C@@H]2C)CC1 ZINC000089937263 395716916 /nfs/dbraw/zinc/71/69/16/395716916.db2.gz LETWVOXKHYUYSR-RDJZCZTQSA-N 1 1 319.453 0.758 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(CCn3cccn3)C[C@@H]2C)CC1 ZINC000089937263 395716917 /nfs/dbraw/zinc/71/69/17/395716917.db2.gz LETWVOXKHYUYSR-RDJZCZTQSA-N 1 1 319.453 0.758 50 0 DCAAMO CC(=O)N1CCCN([C@H]2C[N@H+](CCn3cccn3)C[C@H]2C)CC1 ZINC000089937261 395716955 /nfs/dbraw/zinc/71/69/55/395716955.db2.gz LETWVOXKHYUYSR-WBVHZDCISA-N 1 1 319.453 0.758 50 0 DCAAMO CC(=O)N1CCC[N@@H+]([C@H]2CN(CCn3cccn3)C[C@H]2C)CC1 ZINC000089937261 395716957 /nfs/dbraw/zinc/71/69/57/395716957.db2.gz LETWVOXKHYUYSR-WBVHZDCISA-N 1 1 319.453 0.758 50 0 DCAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(CCn3cccn3)C[C@H]2C)CC1 ZINC000089937261 395716959 /nfs/dbraw/zinc/71/69/59/395716959.db2.gz LETWVOXKHYUYSR-WBVHZDCISA-N 1 1 319.453 0.758 50 0 DCAAMO COc1ccccc1CNC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000036392994 395723453 /nfs/dbraw/zinc/72/34/53/395723453.db2.gz BMTJFCXTKPBIFU-UHFFFAOYSA-N 1 1 320.393 0.444 50 0 DCAAMO Cn1cnc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1Cl ZINC000037990618 395730591 /nfs/dbraw/zinc/73/05/91/395730591.db2.gz BLQLLSFHFUGJSY-NXEZZACHSA-N 1 1 318.830 0.979 50 0 DCAAMO CCN1C(=O)N[C@](C)([C@@H]2CCC[N@H+](Cc3nc(C)no3)C2)C1=O ZINC000095402598 395740624 /nfs/dbraw/zinc/74/06/24/395740624.db2.gz RVSYQCZIHRHXAU-IAQYHMDHSA-N 1 1 321.381 0.920 50 0 DCAAMO CCN1C(=O)N[C@](C)([C@@H]2CCC[N@@H+](Cc3nc(C)no3)C2)C1=O ZINC000095402598 395740627 /nfs/dbraw/zinc/74/06/27/395740627.db2.gz RVSYQCZIHRHXAU-IAQYHMDHSA-N 1 1 321.381 0.920 50 0 DCAAMO O=S(=O)(c1ccccc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000096099699 395744342 /nfs/dbraw/zinc/74/43/42/395744342.db2.gz XCDKHZZZWWPCJE-CQSZACIVSA-N 1 1 310.419 0.906 50 0 DCAAMO COC[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccco1 ZINC000096446131 395753194 /nfs/dbraw/zinc/75/31/94/395753194.db2.gz RAIYGHWSSBTNFB-OLZOCXBDSA-N 1 1 310.398 0.512 50 0 DCAAMO O=C(C[N@H+]1CC[C@H](CNc2ccccn2)C1)N1CCOCC1 ZINC000097200508 395755744 /nfs/dbraw/zinc/75/57/44/395755744.db2.gz BJADGBSGVRKENR-CQSZACIVSA-N 1 1 304.394 0.674 50 0 DCAAMO c1cc(-c2nn[nH]n2)ccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097272372 395756454 /nfs/dbraw/zinc/75/64/54/395756454.db2.gz YDFOMCIUZLDKKE-OAHLLOKOSA-N 1 1 313.409 0.346 50 0 DCAAMO C[C@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000107058935 395784401 /nfs/dbraw/zinc/78/44/01/395784401.db2.gz SYWQYRYUWNNCBH-IINYFYTJSA-N 1 1 323.418 0.800 50 0 DCAAMO NC(=O)C1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000048234309 395811641 /nfs/dbraw/zinc/81/16/41/395811641.db2.gz GWAPEMRQAUZNME-AWEZNQCLSA-N 1 1 317.389 0.824 50 0 DCAAMO COc1cncc(O[C@@H]2CCN(C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000225396242 395859261 /nfs/dbraw/zinc/85/92/61/395859261.db2.gz VOUNEVAZKSRYIH-GFCCVEGCSA-N 1 1 321.381 0.306 50 0 DCAAMO Cc1nnnn1CCC[N@@H+]1CCn2nc([C@H](O)C3CC3)cc2C1 ZINC000219934989 395846981 /nfs/dbraw/zinc/84/69/81/395846981.db2.gz RNSXLCWCAHWDPZ-OAHLLOKOSA-N 1 1 317.397 0.527 50 0 DCAAMO Cc1nnnn1CCC[N@H+]1CCn2nc([C@H](O)C3CC3)cc2C1 ZINC000219934989 395846982 /nfs/dbraw/zinc/84/69/82/395846982.db2.gz RNSXLCWCAHWDPZ-OAHLLOKOSA-N 1 1 317.397 0.527 50 0 DCAAMO Cc1cc(CN2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)no1 ZINC000051254621 395849121 /nfs/dbraw/zinc/84/91/21/395849121.db2.gz ODSXTPLOOHEWSQ-UHFFFAOYSA-N 1 1 302.378 1.000 50 0 DCAAMO C[C@@H](CCC(=O)N(C)Cc1cnn(C)c1)N1CC[NH+](C)CC1 ZINC000221441457 395851144 /nfs/dbraw/zinc/85/11/44/395851144.db2.gz SNPLKBPITGJMEM-AWEZNQCLSA-N 1 1 307.442 0.795 50 0 DCAAMO COCC[NH+]1CCN(CC(=O)N(C)Cc2ccc(C)o2)CC1 ZINC000054188056 395895503 /nfs/dbraw/zinc/89/55/03/395895503.db2.gz JKEMSIXJYLNSJA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/03/44/14/396034414.db2.gz QGRPBKRQBNIVAD-ZDUSSCGKSA-N 1 1 318.381 0.554 50 0 DCAAMO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000067863804 396037172 /nfs/dbraw/zinc/03/71/72/396037172.db2.gz XVIQIBLDEVOMRI-MEDUHNTESA-N 1 1 320.393 0.060 50 0 DCAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000069776428 396090462 /nfs/dbraw/zinc/09/04/62/396090462.db2.gz QUNRPFRVVWYACL-GFCCVEGCSA-N 1 1 314.411 0.294 50 0 DCAAMO COCC[NH+]1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000069780249 396090486 /nfs/dbraw/zinc/09/04/86/396090486.db2.gz BMYZJHRDFITZJI-UHFFFAOYSA-N 1 1 309.385 0.706 50 0 DCAAMO CCCCN(CC(N)=O)CC(C)C[N@@H+](CCCC)CC(N)=O ZINC000069815720 396090826 /nfs/dbraw/zinc/09/08/26/396090826.db2.gz UAXLAPRRFSMRMP-UHFFFAOYSA-N 1 1 314.474 0.797 50 0 DCAAMO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)N2CCNC2=O)n1 ZINC000069897953 396093817 /nfs/dbraw/zinc/09/38/17/396093817.db2.gz HGNWVPSYWNOJMS-AWEZNQCLSA-N 1 1 319.409 0.906 50 0 DCAAMO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000069922874 396095135 /nfs/dbraw/zinc/09/51/35/396095135.db2.gz CYKKRSPCLIYHGC-KBPBESRZSA-N 1 1 314.426 0.486 50 0 DCAAMO C[C@@H]1C[N@H+](CC2CCN(CCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000069951751 396096548 /nfs/dbraw/zinc/09/65/48/396096548.db2.gz UDJOUDSOYQXRQO-BETUJISGSA-N 1 1 319.471 0.096 50 0 DCAAMO Cc1noc2nc(C)cc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)c12 ZINC000070016203 396098447 /nfs/dbraw/zinc/09/84/47/396098447.db2.gz GWAULLJWCDEUDZ-NSHDSACASA-N 1 1 318.377 0.978 50 0 DCAAMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[NH+](CCO)CC1 ZINC000070040822 396098808 /nfs/dbraw/zinc/09/88/08/396098808.db2.gz QMZLADRIKUOTDE-AWEZNQCLSA-N 1 1 323.412 0.955 50 0 DCAAMO O=C(Cn1cnc2sccc2c1=O)N1CC[NH+](C2CC2)CC1 ZINC000071836769 396118018 /nfs/dbraw/zinc/11/80/18/396118018.db2.gz CZIFWKLYSOWDDE-UHFFFAOYSA-N 1 1 318.402 0.765 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(c2ccccn2)CC1 ZINC000071874806 396120394 /nfs/dbraw/zinc/12/03/94/396120394.db2.gz JULSMHNYYGPZJM-CQSZACIVSA-N 1 1 304.394 0.187 50 0 DCAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2C[C@H](O)CN2CCOCC2)n1 ZINC000071876998 396121160 /nfs/dbraw/zinc/12/11/60/396121160.db2.gz GTBRSHRDAPJTIE-IAGOWNOFSA-N 1 1 322.453 0.657 50 0 DCAAMO CS(=O)(=O)NCC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000071907834 396124613 /nfs/dbraw/zinc/12/46/13/396124613.db2.gz HVGQZWAXPYPYFO-HNNXBMFYSA-N 1 1 312.435 0.908 50 0 DCAAMO COc1c([C@@H]2CCC[N@@H+]2CCN2C(=O)CNC2=O)c(C)nn1C ZINC000072253749 396128133 /nfs/dbraw/zinc/12/81/33/396128133.db2.gz VZQLMBWGTLAZHV-NSHDSACASA-N 1 1 321.381 0.426 50 0 DCAAMO COc1c([C@@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)c(C)nn1C ZINC000072253749 396128135 /nfs/dbraw/zinc/12/81/35/396128135.db2.gz VZQLMBWGTLAZHV-NSHDSACASA-N 1 1 321.381 0.426 50 0 DCAAMO O[C@H](COCc1ccco1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000069372056 396076320 /nfs/dbraw/zinc/07/63/20/396076320.db2.gz HJWSRRACEWBEPS-HOCLYGCPSA-N 1 1 321.377 0.755 50 0 DCAAMO O[C@H](COCc1ccco1)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000069372056 396076325 /nfs/dbraw/zinc/07/63/25/396076325.db2.gz HJWSRRACEWBEPS-HOCLYGCPSA-N 1 1 321.377 0.755 50 0 DCAAMO CC[N@@H+](CCNC(=O)Cc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000069515244 396081459 /nfs/dbraw/zinc/08/14/59/396081459.db2.gz USJIQCHGIBDVJU-UHFFFAOYSA-N 1 1 314.393 0.805 50 0 DCAAMO NC(=O)COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cncn2)c1 ZINC000069620757 396084519 /nfs/dbraw/zinc/08/45/19/396084519.db2.gz PKGOORCPNZAVGQ-CQSZACIVSA-N 1 1 315.377 0.807 50 0 DCAAMO Cc1ccc(F)c(-n2nnnc2CN2CC[NH+](CCO)CC2)c1 ZINC000069631552 396085309 /nfs/dbraw/zinc/08/53/09/396085309.db2.gz XCDLYHBDWSTLMU-UHFFFAOYSA-N 1 1 320.372 0.220 50 0 DCAAMO O=C(Cc1cnn(-c2ccccc2)c1)N1CC[NH+](CCO)CC1 ZINC000078241564 396240414 /nfs/dbraw/zinc/24/04/14/396240414.db2.gz XREXZKUEZSCDBJ-UHFFFAOYSA-N 1 1 314.389 0.551 50 0 DCAAMO O=C(c1ccccn1)N1CCC([N@H+]2CCOC[C@@H](O)C2)CC1 ZINC000077340683 396219602 /nfs/dbraw/zinc/21/96/02/396219602.db2.gz QGTPLZFBCCSTTE-AWEZNQCLSA-N 1 1 305.378 0.379 50 0 DCAAMO CC[N@@H+](C)CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077440239 396221934 /nfs/dbraw/zinc/22/19/34/396221934.db2.gz AJCKUMVOVOHQQR-UHFFFAOYSA-N 1 1 321.425 0.065 50 0 DCAAMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cnn1C ZINC000077489939 396224231 /nfs/dbraw/zinc/22/42/31/396224231.db2.gz SWZLSQCAFCXBHE-KRWDZBQOSA-N 1 1 320.437 0.925 50 0 DCAAMO CC(C)C(=O)NCC(=O)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000584890798 396633980 /nfs/dbraw/zinc/63/39/80/396633980.db2.gz FVYMJCNNMTYSST-CQSZACIVSA-N 1 1 311.426 0.064 50 0 DCAAMO C[NH+]1CCN(CN2c3ccccc3C3(OCCO3)C2=O)CC1 ZINC000020421504 415152476 /nfs/dbraw/zinc/15/24/76/415152476.db2.gz DRYPNJPCICAJCK-UHFFFAOYSA-N 1 1 303.362 0.438 50 0 DCAAMO CCCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005147983 415133714 /nfs/dbraw/zinc/13/37/14/415133714.db2.gz YFTYJMDHLSPZLJ-JTQLQIEISA-N 1 1 318.381 0.991 50 0 DCAAMO CCC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1COc2ccccc2O1 ZINC000026663663 415166655 /nfs/dbraw/zinc/16/66/55/415166655.db2.gz 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/nfs/dbraw/zinc/11/10/72/685111072.db2.gz AOKYTEUIVQTRNK-AWEZNQCLSA-N 1 1 306.410 0.954 50 0 DCAAMO CCc1ncc(C(=O)N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)cn1 ZINC001704340153 1179978669 /nfs/dbraw/zinc/97/86/69/1179978669.db2.gz VXVFOMGAVPTSPW-RHSMWYFYSA-N 1 1 318.421 0.958 50 0 DCAAMO CCC(C)(C)C(=O)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000585122373 766287767 /nfs/dbraw/zinc/28/77/67/766287767.db2.gz YSAHLYWVDXEZGN-CYBMUJFWSA-N 1 1 323.437 0.932 50 0 DCAAMO Cc1cc2n(n1)CCCN(C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)C2 ZINC000952861011 768921581 /nfs/dbraw/zinc/92/15/81/768921581.db2.gz BJWTXZGDBVIENT-ZDUSSCGKSA-N 1 1 319.409 0.121 50 0 DCAAMO C[C@H](O)C[N@@H+](C)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC000952879675 768944394 /nfs/dbraw/zinc/94/43/94/768944394.db2.gz GIOSDEPMVJSQHS-NWANDNLSSA-N 1 1 308.378 0.681 50 0 DCAAMO CN(C)C(=O)c1cncc(NCCC[N@H+]2CCC[C@@H](CO)C2)n1 ZINC001506427965 1017268543 /nfs/dbraw/zinc/26/85/43/1017268543.db2.gz VPCCYRYCXAHKBS-CYBMUJFWSA-N 1 1 321.425 0.685 50 0 DCAAMO CCOCCN1CC[N@@H+](CCOCC)C[C@H]1C(=O)N(C)C ZINC000079103754 185158598 /nfs/dbraw/zinc/15/85/98/185158598.db2.gz ARYOECCRJHDXEB-AWEZNQCLSA-N 1 1 301.431 0.134 50 0 DCAAMO CCn1cc(CC[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cn1 ZINC000328591169 231233815 /nfs/dbraw/zinc/23/38/15/231233815.db2.gz MQSZXEFUKWFWSP-CYBMUJFWSA-N 1 1 314.455 0.707 50 0 DCAAMO CC(=O)N1CCCn2nc(CNc3cc[nH+]c(N)n3)cc2C1 ZINC000082107054 192356895 /nfs/dbraw/zinc/35/68/95/192356895.db2.gz GQOQLDFGYPIHTR-UHFFFAOYSA-N 1 1 301.354 0.620 50 0 DCAAMO CCC[N@H+](CC(=O)Nc1cnn(CC(=O)NC)c1)CC1CC1 ZINC000095397361 185353229 /nfs/dbraw/zinc/35/32/29/185353229.db2.gz PWYZFNBFZSJQRV-UHFFFAOYSA-N 1 1 307.398 0.690 50 0 DCAAMO CCc1nc(N2CCN(CC(=O)NCCOC)CC2)cc(C)[nH+]1 ZINC000225816427 201751319 /nfs/dbraw/zinc/75/13/19/201751319.db2.gz QFBPXSJDBQLDMS-UHFFFAOYSA-N 1 1 321.425 0.232 50 0 DCAAMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(C(N)=O)cc1 ZINC000408518785 530058308 /nfs/dbraw/zinc/05/83/08/530058308.db2.gz ZZAVQQJJACNUMF-CABCVRRESA-N 1 1 317.389 0.721 50 0 DCAAMO Cc1ncc2c(c1CNC(=O)C[C@H]1COCCN1)CC[NH2+]C2 ZINC000072156881 191060899 /nfs/dbraw/zinc/06/08/99/191060899.db2.gz PTSHQSGKJDMOBM-ZDUSSCGKSA-N 1 1 304.394 0.030 50 0 DCAAMO Cc1ncc2c(c1CNC(=O)C[C@@H]1COCCN1)CC[NH2+]C2 ZINC000072156879 191061006 /nfs/dbraw/zinc/06/10/06/191061006.db2.gz PTSHQSGKJDMOBM-CYBMUJFWSA-N 1 1 304.394 0.030 50 0 DCAAMO Cc1nn(C)c2ncnc(NCC[N@H+]3CCCC[C@H]3CO)c12 ZINC000072475817 191176831 /nfs/dbraw/zinc/17/68/31/191176831.db2.gz NQGFZTDGRKVYJY-LBPRGKRZSA-N 1 1 304.398 0.930 50 0 DCAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000003603091 181038826 /nfs/dbraw/zinc/03/88/26/181038826.db2.gz JVMXSRLHWYBNFD-UHFFFAOYSA-N 1 1 312.439 0.864 50 0 DCAAMO Cc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(C(N)=O)CC2)C1=O ZINC000004197167 181084679 /nfs/dbraw/zinc/08/46/79/181084679.db2.gz VRXQPMQGSLAAMW-CQSZACIVSA-N 1 1 315.373 0.824 50 0 DCAAMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(-n3ccnc3)nc2)C1 ZINC000081247016 192239906 /nfs/dbraw/zinc/23/99/06/192239906.db2.gz 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CN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@]3(C(=O)[O-])C2)cn1 ZINC000091440370 193056405 /nfs/dbraw/zinc/05/64/05/193056405.db2.gz CKTUAQIAOKPLCX-YOEHRIQHSA-N 1 1 318.421 0.986 50 0 DCAAMO CN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@]3(C(=O)[O-])C2)cn1 ZINC000091440370 193056407 /nfs/dbraw/zinc/05/64/07/193056407.db2.gz CKTUAQIAOKPLCX-YOEHRIQHSA-N 1 1 318.421 0.986 50 0 DCAAMO CC(C)Nc1cc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)ncn1 ZINC000091574436 193074797 /nfs/dbraw/zinc/07/47/97/193074797.db2.gz UJDLQLSAIPHAMB-ZIAGYGMSSA-N 1 1 323.441 0.266 50 0 DCAAMO COCC[N@@H+](C)C[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@@H]1CO ZINC000091474197 193061646 /nfs/dbraw/zinc/06/16/46/193061646.db2.gz SMDCLPQWVCFLKW-CHWSQXEVSA-N 1 1 319.409 0.581 50 0 DCAAMO CCN1CC[C@@]2(CN(c3nccc(N)n3)CC[N@H+]2C)CCC1=O ZINC000091624917 193080730 /nfs/dbraw/zinc/08/07/30/193080730.db2.gz DXRULYRMQNGNRM-MRXNPFEDSA-N 1 1 318.425 0.582 50 0 DCAAMO OC[C@H]1C[C@H](C[NH+]2CCOCC2)CN(c2noc(C3CC3)n2)C1 ZINC000091626227 193081469 /nfs/dbraw/zinc/08/14/69/193081469.db2.gz AFAFLJBVXINLIG-OLZOCXBDSA-N 1 1 322.409 0.714 50 0 DCAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1CO ZINC000092062056 193150738 /nfs/dbraw/zinc/15/07/38/193150738.db2.gz ZTVKOHGBJONYEO-HZPDHXFCSA-N 1 1 320.437 0.256 50 0 DCAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1CO ZINC000092062056 193150741 /nfs/dbraw/zinc/15/07/41/193150741.db2.gz ZTVKOHGBJONYEO-HZPDHXFCSA-N 1 1 320.437 0.256 50 0 DCAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)CC3CCC3)C[C@@H]2CO)CC1 ZINC000092065281 193150938 /nfs/dbraw/zinc/15/09/38/193150938.db2.gz YPRIZMGVICWDLI-IAGOWNOFSA-N 1 1 323.481 0.881 50 0 DCAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)CC3CCC3)C[C@@H]2CO)CC1 ZINC000092065281 193150940 /nfs/dbraw/zinc/15/09/40/193150940.db2.gz YPRIZMGVICWDLI-IAGOWNOFSA-N 1 1 323.481 0.881 50 0 DCAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)CC3CCC3)C[C@@H]2CO)CC1 ZINC000092065281 193150941 /nfs/dbraw/zinc/15/09/41/193150941.db2.gz YPRIZMGVICWDLI-IAGOWNOFSA-N 1 1 323.481 0.881 50 0 DCAAMO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2C=O)CC1 ZINC000016806122 182061162 /nfs/dbraw/zinc/06/11/62/182061162.db2.gz JOVRLEZXHGPIRV-UHFFFAOYSA-N 1 1 300.362 0.957 50 0 DCAAMO O=[N+]1C2CCc3nonc3[C@@H]2[C@@H]2CCC[C@]21N1CCOCC1 ZINC000019325834 182115829 /nfs/dbraw/zinc/11/58/29/182115829.db2.gz VUVWTFLFMZIMLX-PSOPSSQASA-N 1 1 304.350 0.893 50 0 DCAAMO O=C(NC1CCC1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019732472 182139078 /nfs/dbraw/zinc/13/90/78/182139078.db2.gz OQDGHBMEYKTCIE-AWEZNQCLSA-N 1 1 323.437 0.616 50 0 DCAAMO Cc1cccc(C)c1OC[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000019770813 182145611 /nfs/dbraw/zinc/14/56/11/182145611.db2.gz QURUKAATAVETDT-INIZCTEOSA-N 1 1 308.422 0.653 50 0 DCAAMO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(CCO)CC1 ZINC000019770813 182145612 /nfs/dbraw/zinc/14/56/12/182145612.db2.gz QURUKAATAVETDT-INIZCTEOSA-N 1 1 308.422 0.653 50 0 DCAAMO Cc1ccc(C(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cn1 ZINC000042394264 183263631 /nfs/dbraw/zinc/26/36/31/183263631.db2.gz 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/nfs/dbraw/zinc/33/58/99/184335899.db2.gz SCJTUZSCBGUBFT-UHFFFAOYSA-N 1 1 305.382 0.640 50 0 DCAAMO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)N1CCNC(=O)C1 ZINC000065520351 184358365 /nfs/dbraw/zinc/35/83/65/184358365.db2.gz AFSXFHDSPPEKLS-OAHLLOKOSA-N 1 1 319.380 0.791 50 0 DCAAMO CN(C)C(=O)N1CC[N@@H+](CCCN2CCOCC2)C(C)(C)C1 ZINC000348921639 254264105 /nfs/dbraw/zinc/26/41/05/254264105.db2.gz SSDZACQIGRTENI-UHFFFAOYSA-N 1 1 312.458 0.787 50 0 DCAAMO COCC[N@H+]1CCC[C@@H](C(=O)NCc2cnc3cnccn23)C1 ZINC000426477361 257249578 /nfs/dbraw/zinc/24/95/78/257249578.db2.gz JGVVWQDZIZMFLZ-CYBMUJFWSA-N 1 1 317.393 0.704 50 0 DCAAMO O[C@@H]1C[C@H]2C[N@@H+](C3CCN(c4ncccn4)CC3)C[C@H]2C[C@@H]1O ZINC000072151722 285335636 /nfs/dbraw/zinc/33/56/36/285335636.db2.gz JHVCZJAWVSGYFA-UPUJQMMVSA-N 1 1 318.421 0.509 50 0 DCAAMO Cc1[nH+]ccn1CCNC(=O)c1cc(N2CCOCC2)ncn1 ZINC000253473000 134403134 /nfs/dbraw/zinc/40/31/34/134403134.db2.gz QXRVLRABLXILHM-UHFFFAOYSA-N 1 1 316.365 0.248 50 0 DCAAMO COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000253415956 292037524 /nfs/dbraw/zinc/03/75/24/292037524.db2.gz GGBVVEZHKHQVQN-HTQZYQBOSA-N 1 1 319.408 0.335 50 0 DCAAMO CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@H]12)C(C)C ZINC000013361447 395688505 /nfs/dbraw/zinc/68/85/05/395688505.db2.gz LMFKRLGHEKVMNT-AOLWHUPESA-N 1 1 313.394 0.327 50 0 biogenic DCAAMO COc1ccc(CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000085466912 395701135 /nfs/dbraw/zinc/70/11/35/395701135.db2.gz LNKLGQAJDKQGEZ-CYBMUJFWSA-N 1 1 307.394 0.903 50 0 DCAAMO NC(=O)NC(=O)CCN1CCC[N@@H+](Cc2cccs2)CC1 ZINC000030212138 395701838 /nfs/dbraw/zinc/70/18/38/395701838.db2.gz DTMHZFUKKHKITF-UHFFFAOYSA-N 1 1 310.423 0.841 50 0 DCAAMO NC(=O)NC(=O)CC[N@@H+]1CCCN(Cc2cccs2)CC1 ZINC000030212138 395701840 /nfs/dbraw/zinc/70/18/40/395701840.db2.gz DTMHZFUKKHKITF-UHFFFAOYSA-N 1 1 310.423 0.841 50 0 DCAAMO NC(=O)NC(=O)CC[N@H+]1CCCN(Cc2cccs2)CC1 ZINC000030212138 395701842 /nfs/dbraw/zinc/70/18/42/395701842.db2.gz DTMHZFUKKHKITF-UHFFFAOYSA-N 1 1 310.423 0.841 50 0 DCAAMO COC[C@H](O)C[N@@H+](CCO)C[C@H](O)Cn1ccc2ccccc21 ZINC000036602822 395723865 /nfs/dbraw/zinc/72/38/65/395723865.db2.gz QHFPUUSVICKZOS-JKSUJKDBSA-N 1 1 322.405 0.304 50 0 DCAAMO O=C(c1ccc(N2CC[NH+](CCO)CC2)nc1)N1CCCC1 ZINC000032908974 395714302 /nfs/dbraw/zinc/71/43/02/395714302.db2.gz AQCOJIXWGOFSNO-UHFFFAOYSA-N 1 1 304.394 0.432 50 0 DCAAMO CC(C)[C@@H](CNC(=O)N[C@@H](C)Cn1cccn1)[NH+]1CCOCC1 ZINC000089791343 395715302 /nfs/dbraw/zinc/71/53/02/395715302.db2.gz POBVHRFGPVJFOH-LSDHHAIUSA-N 1 1 323.441 0.928 50 0 DCAAMO CN1C(=O)N[C@@](C)([C@H]2CCC[N@@H+](CCn3cccn3)C2)C1=O ZINC000089914264 395716254 /nfs/dbraw/zinc/71/62/54/395716254.db2.gz LNQBNYBNJPXQRZ-WFASDCNBSA-N 1 1 305.382 0.535 50 0 DCAAMO CCN1C(=O)N[C@](C)([C@H]2CCC[N@H+](Cc3nc(C)no3)C2)C1=O ZINC000095402600 395740507 /nfs/dbraw/zinc/74/05/07/395740507.db2.gz RVSYQCZIHRHXAU-XHDPSFHLSA-N 1 1 321.381 0.920 50 0 DCAAMO CCN1C(=O)N[C@](C)([C@H]2CCC[N@@H+](Cc3nc(C)no3)C2)C1=O ZINC000095402600 395740509 /nfs/dbraw/zinc/74/05/09/395740509.db2.gz RVSYQCZIHRHXAU-XHDPSFHLSA-N 1 1 321.381 0.920 50 0 DCAAMO Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000097200851 395756050 /nfs/dbraw/zinc/75/60/50/395756050.db2.gz XEJKHJKLSVJHCT-HNNXBMFYSA-N 1 1 318.421 0.983 50 0 DCAAMO Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000097200851 395756051 /nfs/dbraw/zinc/75/60/51/395756051.db2.gz XEJKHJKLSVJHCT-HNNXBMFYSA-N 1 1 318.421 0.983 50 0 DCAAMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C)nc2)CC1 ZINC000046868866 395781530 /nfs/dbraw/zinc/78/15/30/395781530.db2.gz WEJSFSQSZUWCEO-UHFFFAOYSA-N 1 1 319.409 0.400 50 0 DCAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2C)CC1 ZINC000107354843 395785602 /nfs/dbraw/zinc/78/56/02/395785602.db2.gz JPUCDDWRABFHSB-LRDDRELGSA-N 1 1 306.410 0.967 50 0 DCAAMO C[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000101264885 395764211 /nfs/dbraw/zinc/76/42/11/395764211.db2.gz HDUGVQZKQOYKMD-CYBMUJFWSA-N 1 1 309.316 0.844 50 0 DCAAMO COc1cncc(O[C@H]2CCN(C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000225396278 395859074 /nfs/dbraw/zinc/85/90/74/395859074.db2.gz VOUNEVAZKSRYIH-LBPRGKRZSA-N 1 1 321.381 0.306 50 0 DCAAMO Cc1ccc(O[C@@H]2CCN(C(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000225430917 395860116 /nfs/dbraw/zinc/86/01/16/395860116.db2.gz DSERQNZFCZZSIY-CYBMUJFWSA-N 1 1 305.382 0.606 50 0 DCAAMO CN(C)c1ccc(CC(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)cc1 ZINC000219634553 395846301 /nfs/dbraw/zinc/84/63/01/395846301.db2.gz UYBGVIWYYCUPQD-RDJZCZTQSA-N 1 1 316.449 0.800 50 0 DCAAMO CN(C)c1ccc(CC(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)cc1 ZINC000219634553 395846302 /nfs/dbraw/zinc/84/63/02/395846302.db2.gz UYBGVIWYYCUPQD-RDJZCZTQSA-N 1 1 316.449 0.800 50 0 DCAAMO CN(C)c1ccc(CC(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)cc1 ZINC000219634553 395846303 /nfs/dbraw/zinc/84/63/03/395846303.db2.gz UYBGVIWYYCUPQD-RDJZCZTQSA-N 1 1 316.449 0.800 50 0 DCAAMO Cc1cc(C[C@@H](C)NC(=O)CN(C)C2CC[NH+](C)CC2)n[nH]1 ZINC000220582094 395848901 /nfs/dbraw/zinc/84/89/01/395848901.db2.gz BXPZDCFMECBXKU-GFCCVEGCSA-N 1 1 307.442 0.791 50 0 DCAAMO C[N@H+]1CCC[C@@H](C(=O)NCc2csc(N3CCOCC3)n2)C1 ZINC000223349801 395855020 /nfs/dbraw/zinc/85/50/20/395855020.db2.gz SNHDFVSKMDHMGO-GFCCVEGCSA-N 1 1 324.450 0.938 50 0 DCAAMO C[N@@H+](CCNC(=O)N1CC[C@@H](C(N)=O)C1)Cc1ccccc1 ZINC000054764668 395905215 /nfs/dbraw/zinc/90/52/15/395905215.db2.gz WGACSYRDUPHMQC-CQSZACIVSA-N 1 1 304.394 0.635 50 0 DCAAMO CC(C)[NH+](CCNC(=O)[C@H]1CCCN(CC(N)=O)C1)C(C)C ZINC000055281228 395915355 /nfs/dbraw/zinc/91/53/55/395915355.db2.gz VFZVDLHMUHGCGI-AWEZNQCLSA-N 1 1 312.458 0.419 50 0 DCAAMO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000247506493 395974932 /nfs/dbraw/zinc/97/49/32/395974932.db2.gz HCSCPAIDTALWEC-RWMBFGLXSA-N 1 1 315.439 0.153 50 0 DCAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000247923400 395980542 /nfs/dbraw/zinc/98/05/42/395980542.db2.gz HURKSGFQDCUOKR-VNQPRFMTSA-N 1 1 323.437 0.709 50 0 DCAAMO 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CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 ZINC000072234543 396127294 /nfs/dbraw/zinc/12/72/94/396127294.db2.gz KKJXWAGCJCTLGI-KGLIPLIRSA-N 1 1 304.394 0.869 50 0 DCAAMO C[C@@]1([C@@H]2CCC[N@@H+](CC(=O)NCC3CCC3)C2)NC(=O)NC1=O ZINC000072300680 396130914 /nfs/dbraw/zinc/13/09/14/396130914.db2.gz MOFZTVBUWLTVPQ-WBMJQRKESA-N 1 1 322.409 0.213 50 0 DCAAMO CN1CCN(Cc2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000178518980 396198437 /nfs/dbraw/zinc/19/84/37/396198437.db2.gz SIMIZKMCWVKIAJ-MRXNPFEDSA-N 1 1 316.449 0.855 50 0 DCAAMO Cn1nc2c(cc1=O)C[N@H+](C[C@@H](O)COCc1ccco1)CC2 ZINC000078616211 396249255 /nfs/dbraw/zinc/24/92/55/396249255.db2.gz FXZNPWLYKALJHN-CYBMUJFWSA-N 1 1 319.361 0.309 50 0 DCAAMO C[C@@H]1CN=C(N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)S1 ZINC000079497138 396265648 /nfs/dbraw/zinc/26/56/48/396265648.db2.gz HDPNWYWAENKUIG-CHWSQXEVSA-N 1 1 309.439 0.353 50 0 DCAAMO C[C@@H]1CCN(C(=O)NC[C@@H](c2cnn(C)c2)[NH+](C)C)[C@@H]1CO ZINC000190567253 396408521 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C[C@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@@H](C)CO1 ZINC000027646820 415174861 /nfs/dbraw/zinc/17/48/61/415174861.db2.gz VXAHUUUEDGPKPC-RYUDHWBXSA-N 1 1 314.407 0.822 50 0 DCAAMO C[C@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@@H](C)CO1 ZINC000027646820 415174879 /nfs/dbraw/zinc/17/48/79/415174879.db2.gz VXAHUUUEDGPKPC-RYUDHWBXSA-N 1 1 314.407 0.822 50 0 DCAAMO C[N@@H+]1CCN(C(=O)Cn2cccnc2=O)[C@@H](c2ccccc2)C1 ZINC000032941311 415186654 /nfs/dbraw/zinc/18/66/54/415186654.db2.gz QUUPBVUBGKGNMI-OAHLLOKOSA-N 1 1 312.373 0.759 50 0 DCAAMO C[N@H+]1CCN(C(=O)Cn2cccnc2=O)[C@@H](c2ccccc2)C1 ZINC000032941311 415186661 /nfs/dbraw/zinc/18/66/61/415186661.db2.gz QUUPBVUBGKGNMI-OAHLLOKOSA-N 1 1 312.373 0.759 50 0 DCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCn2ccnc2)C1 ZINC000044966636 415240905 /nfs/dbraw/zinc/24/09/05/415240905.db2.gz NYXKVHZAVJQFGI-CQSZACIVSA-N 1 1 309.414 0.539 50 0 DCAAMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](CCO)CC1 ZINC000045311410 415245827 /nfs/dbraw/zinc/24/58/27/415245827.db2.gz 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415401244 /nfs/dbraw/zinc/40/12/44/415401244.db2.gz JPBVRSNJXQTSKL-INIZCTEOSA-N 1 1 305.422 0.849 50 0 DCAAMO CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N1CC[NH+](CCO)CC1 ZINC000066863409 415368609 /nfs/dbraw/zinc/36/86/09/415368609.db2.gz ONBPVLPHZAIKGP-ZIAGYGMSSA-N 1 1 323.441 0.791 50 0 DCAAMO CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CC[NH+](CCO)CC1 ZINC000066863412 415370692 /nfs/dbraw/zinc/37/06/92/415370692.db2.gz ONBPVLPHZAIKGP-KBPBESRZSA-N 1 1 323.441 0.791 50 0 DCAAMO CCC[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1N(C)C ZINC000091643858 415533385 /nfs/dbraw/zinc/53/33/85/415533385.db2.gz MCCRREGIDKPDTD-KBPBESRZSA-N 1 1 305.488 0.930 50 0 DCAAMO CCC[C@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1N(C)C ZINC000091643858 415533392 /nfs/dbraw/zinc/53/33/92/415533392.db2.gz MCCRREGIDKPDTD-KBPBESRZSA-N 1 1 305.488 0.930 50 0 DCAAMO Cc1cc(C)n(C2CN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)C2)n1 ZINC000091657281 415540473 /nfs/dbraw/zinc/54/04/73/415540473.db2.gz LPRSMVZFVCAHLN-ZDUSSCGKSA-N 1 1 319.409 0.081 50 0 DCAAMO CC[C@@H]1CN(CCCS(=O)(=O)N(C)C)CC[N@H+]1C[C@H](C)O ZINC000106906949 415651145 /nfs/dbraw/zinc/65/11/45/415651145.db2.gz LBKJNKXHPIISDR-UONOGXRCSA-N 1 1 321.487 0.045 50 0 DCAAMO O=C([O-])[C@]12C[NH+](C3CCCC3)C[C@H]1C[N@H+](CCn1cnnc1)C2 ZINC000096139539 415577680 /nfs/dbraw/zinc/57/76/80/415577680.db2.gz BOEONBMXVFFSGG-CZUORRHYSA-N 1 1 319.409 0.539 50 0 DCAAMO O=C([O-])[C@@]12C[NH+](CCn3cnnc3)C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096139539 415577691 /nfs/dbraw/zinc/57/76/91/415577691.db2.gz BOEONBMXVFFSGG-CZUORRHYSA-N 1 1 319.409 0.539 50 0 DCAAMO O=C([O-])[C@@]12C[NH+](CCn3cnnc3)C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000096139539 415577700 /nfs/dbraw/zinc/57/77/00/415577700.db2.gz BOEONBMXVFFSGG-CZUORRHYSA-N 1 1 319.409 0.539 50 0 DCAAMO Cc1nnnn1CCC(=O)NCCCn1cc[nH+]c1C(C)C ZINC000299771090 416065247 /nfs/dbraw/zinc/06/52/47/416065247.db2.gz SAKIESXBDGTDSS-UHFFFAOYSA-N 1 1 305.386 0.898 50 0 DCAAMO Nc1nc(C(=O)N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)cs1 ZINC000299768628 416065855 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C[N@H+](CCN(C(=O)[C@@H]1CCc2[nH]nnc2C1)C1CC1)C1CC1 ZINC000240707814 416330068 /nfs/dbraw/zinc/33/00/68/416330068.db2.gz HQRJKTZAKDBINP-LLVKDONJSA-N 1 1 303.410 0.995 50 0 DCAAMO C[N@@H+](CCN(C(=O)[C@@H]1CCc2[nH]nnc2C1)C1CC1)C1CC1 ZINC000240707814 416330069 /nfs/dbraw/zinc/33/00/69/416330069.db2.gz HQRJKTZAKDBINP-LLVKDONJSA-N 1 1 303.410 0.995 50 0 DCAAMO C[N@H+](CCN(C(=O)[C@@H]1CCc2nn[nH]c2C1)C1CC1)C1CC1 ZINC000240707814 416330070 /nfs/dbraw/zinc/33/00/70/416330070.db2.gz HQRJKTZAKDBINP-LLVKDONJSA-N 1 1 303.410 0.995 50 0 DCAAMO C[N@@H+](CCN(C(=O)[C@@H]1CCc2nn[nH]c2C1)C1CC1)C1CC1 ZINC000240707814 416330071 /nfs/dbraw/zinc/33/00/71/416330071.db2.gz HQRJKTZAKDBINP-LLVKDONJSA-N 1 1 303.410 0.995 50 0 DCAAMO C[N@@H+](CCC(=O)Nc1nnc(C2CC2)s1)[C@H]1COC[C@@H]1O ZINC000244723883 416330700 /nfs/dbraw/zinc/33/07/00/416330700.db2.gz MJIOHPXNKHSYPZ-UWVGGRQHSA-N 1 1 312.395 0.436 50 0 DCAAMO Cc1nc([C@H](C)NC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)n[nH]1 ZINC000244718696 416330884 /nfs/dbraw/zinc/33/08/84/416330884.db2.gz LPGUTPOKWXQKOS-INTQDDNPSA-N 1 1 318.385 0.638 50 0 DCAAMO C[N@H+](Cc1ccc(CO)c2c1OC(F)(F)O2)[C@@H]1COC[C@H]1O ZINC000583651352 416480287 /nfs/dbraw/zinc/48/02/87/416480287.db2.gz LMUJNYCHDPNETN-GHMZBOCLSA-N 1 1 317.288 0.692 50 0 DCAAMO C[N@@H+](Cc1ccc(CO)c2c1OC(F)(F)O2)[C@@H]1COC[C@H]1O ZINC000583651352 416480289 /nfs/dbraw/zinc/48/02/89/416480289.db2.gz LMUJNYCHDPNETN-GHMZBOCLSA-N 1 1 317.288 0.692 50 0 DCAAMO COCC[N@@H+](C)CCCNC(=O)c1nc(-c2cnccn2)no1 ZINC000585119035 416517301 /nfs/dbraw/zinc/51/73/01/416517301.db2.gz NJWWTLKCBGFVDT-UHFFFAOYSA-N 1 1 320.353 0.225 50 0 DCAAMO CCS(=O)(=O)N1CC[C@@H](c2[nH+]cc(C)n2CCOC)C1 ZINC000575316395 417526890 /nfs/dbraw/zinc/52/68/90/417526890.db2.gz IFFWPRAZNFXCEP-GFCCVEGCSA-N 1 1 301.412 0.977 50 0 DCAAMO CCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000005148176 273683039 /nfs/dbraw/zinc/68/30/39/273683039.db2.gz LSLXOJYLGXOXJO-VIFPVBQESA-N 1 1 304.354 0.693 50 0 DCAAMO CC(C)(C[N@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1)N1CCOCC1 ZINC000299763753 277299569 /nfs/dbraw/zinc/29/95/69/277299569.db2.gz QWXNRDHTJVWWEA-LSDHHAIUSA-N 1 1 321.425 0.535 50 0 DCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)CCNCC(F)(F)F)CC1 ZINC000070003979 280203409 /nfs/dbraw/zinc/20/34/09/280203409.db2.gz DTCGZFJCOBJXCC-LLVKDONJSA-N 1 1 311.348 0.444 50 0 DCAAMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cn(C)c(C)n1 ZINC000072300164 281195379 /nfs/dbraw/zinc/19/53/79/281195379.db2.gz CXUCGLVXHWXCAB-QWHCGFSZSA-N 1 1 312.439 0.976 50 0 DCAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCCCC[N@H+]1C)C2 ZINC000095384318 282008028 /nfs/dbraw/zinc/00/80/28/282008028.db2.gz HUROXYUNKCFFJA-AWEZNQCLSA-N 1 1 304.394 0.805 50 0 DCAAMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 ZINC000534631760 334307596 /nfs/dbraw/zinc/30/75/96/334307596.db2.gz AIUSMSJRZMAUQE-SECBINFHSA-N 1 1 311.363 0.114 50 0 DCAAMO COCC1(CNC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)CCCC1 ZINC000534660604 334313805 /nfs/dbraw/zinc/31/38/05/334313805.db2.gz ZLDSECOYPOYQBS-ZDUSSCGKSA-N 1 1 311.426 0.507 50 0 DCAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285239519 535786224 /nfs/dbraw/zinc/78/62/24/535786224.db2.gz YPBNJFJCRPSWGE-INIZCTEOSA-N 1 1 323.368 0.096 50 0 DCAAMO Cc1[nH+]cn(CCNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1C ZINC000215851064 545938487 /nfs/dbraw/zinc/93/84/87/545938487.db2.gz ZOEKHFIAWSPIFG-UHFFFAOYSA-N 1 1 303.366 0.559 50 0 DCAAMO Cc1[nH+]cn(CCNC(=O)[C@H]2CSC(C)(C)C(=O)N2)c1C ZINC000670473103 547102031 /nfs/dbraw/zinc/10/20/31/547102031.db2.gz RPULPFCZNBKSSX-LLVKDONJSA-N 1 1 310.423 0.626 50 0 DCAAMO c1n[nH]cc1O[C@@H]1COC[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000685940941 548747180 /nfs/dbraw/zinc/74/71/80/548747180.db2.gz LBJQEXGXAYJRRF-LSDHHAIUSA-N 1 1 303.366 0.879 50 0 DCAAMO [NH3+]C[C@@H](O)CC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000888096988 661176010 /nfs/dbraw/zinc/17/60/10/661176010.db2.gz YJKLWVMOGUBCIZ-AWEZNQCLSA-N 1 1 313.442 0.095 50 0 DCAAMO CCOC(=O)c1cnc(N[C@H]2CCC[N@@H+](CCO)C2)nc1C ZINC000395241750 685269312 /nfs/dbraw/zinc/26/93/12/685269312.db2.gz QILKLSQMENXUPU-LBPRGKRZSA-N 1 1 308.382 0.830 50 0 DCAAMO CC[C@@H](CNC(=O)/C=C/c1cnc(N)nc1)N1CC[NH+](C)CC1 ZINC000952975104 685599750 /nfs/dbraw/zinc/59/97/50/685599750.db2.gz YBNUPZBBBIEZLC-NNTXTVRGSA-N 1 1 318.425 0.214 50 0 DCAAMO CCc1nc(S(=O)(=O)N(C)C[C@@]2(C)CC[N@@H+](C)C2)c[nH]1 ZINC000952975905 685599853 /nfs/dbraw/zinc/59/98/53/685599853.db2.gz XZYZEUXZCGHDQG-ZDUSSCGKSA-N 1 1 300.428 0.934 50 0 DCAAMO Cc1nn(C)c2nc(C)nc(N[C@H]3C[N@@H+](C(C)C)C[C@@H]3O)c12 ZINC000072469746 685074919 /nfs/dbraw/zinc/07/49/19/685074919.db2.gz IDWXQYZIEPWMNJ-RYUDHWBXSA-N 1 1 304.398 0.846 50 0 DCAAMO CN(CCc1noc(C2CC2)n1)C(=O)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072448490 685075358 /nfs/dbraw/zinc/07/53/58/685075358.db2.gz ZFNVDVWAOWERJA-ZDUSSCGKSA-N 1 1 316.365 0.558 50 0 DCAAMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4[C@@H](O)[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5 ZINC000095100017 1175759017 /nfs/dbraw/zinc/75/90/17/1175759017.db2.gz ISVKWTNAIRJURI-ZJHBXPJKSA-N 1 1 301.342 0.689 50 0 DCAAMO CN(C)c1nc(N)cc(N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001704312293 1179969337 /nfs/dbraw/zinc/96/93/37/1179969337.db2.gz OWDCBUPWJJLYGJ-MLGOLLRUSA-N 1 1 320.441 0.408 50 0 DCAAMO C[N@@H+](CCCOc1ccc(C(N)=O)cc1)C[C@@H]1COCCO1 ZINC001704347195 1179981835 /nfs/dbraw/zinc/98/18/35/1179981835.db2.gz JFQYAIKXKMJCIC-OAHLLOKOSA-N 1 1 308.378 0.902 50 0 DCAAMO