smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c([C@@H]([NH3+])CS(=O)(=O)C(C)(C)C)c1 ZINC000081924243 192339609 /nfs/dbraw/zinc/33/96/09/192339609.db2.gz SZIBMFRBKWKKTK-LBPRGKRZSA-N 1 1 301.408 1.917 10 0 DDAEMO Cc1cccc2nc(C[N@@H+](C)C[C@H]3CCC[C@@H]3O)cc(=O)n12 ZINC000305369863 231004968 /nfs/dbraw/zinc/00/49/68/231004968.db2.gz XBGSUDAUESECQB-HIFRSBDPSA-N 1 1 301.390 1.596 10 0 DDAEMO C[NH2+][C@@H](CS(=O)(=O)CCOC)c1cc(C)ccc1OC ZINC000081944725 192345988 /nfs/dbraw/zinc/34/59/88/192345988.db2.gz ZAFXFFFCHVADPC-ZDUSSCGKSA-N 1 1 301.408 1.325 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000249551312 282171313 /nfs/dbraw/zinc/17/13/13/282171313.db2.gz IBCYLRHOCUMZHF-UONOGXRCSA-N 1 1 311.470 1.870 10 0 DDAEMO FC(F)(F)c1ncc(C[NH2+][C@H]2COC[C@H]2n2ccnn2)s1 ZINC000328939820 231394049 /nfs/dbraw/zinc/39/40/49/231394049.db2.gz KNNYNIUNDNAOBD-DTWKUNHWSA-N 1 1 319.312 1.483 10 0 DDAEMO CN(C)c1ccncc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000185186666 539245792 /nfs/dbraw/zinc/24/57/92/539245792.db2.gz WWPNZTHYFFKZEZ-UHFFFAOYSA-N 1 1 305.470 1.265 10 0 DDAEMO O=C(c1ncc(Br)s1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000192417931 539259523 /nfs/dbraw/zinc/25/95/23/539259523.db2.gz SFIHKQPDGYMWOP-QMMMGPOBSA-N 1 1 316.224 1.826 10 0 DDAEMO COCCCS(=O)(=O)C[C@@H]([NH3+])c1cc(C)ccc1OC ZINC000081985040 192348959 /nfs/dbraw/zinc/34/89/59/192348959.db2.gz BIJJGKTXWHCLLF-CYBMUJFWSA-N 1 1 301.408 1.455 10 0 DDAEMO CNc1cc[nH+]c(Cn2c(C)ncc(Br)c2=O)c1 ZINC000092419956 185317030 /nfs/dbraw/zinc/31/70/30/185317030.db2.gz QFJOVYGHICFRMS-UHFFFAOYSA-N 1 1 309.167 1.799 10 0 DDAEMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(F)cc1N ZINC000092622130 185329816 /nfs/dbraw/zinc/32/98/16/185329816.db2.gz LKPQLTBDRSJGLM-NSHDSACASA-N 1 1 301.387 1.123 10 0 DDAEMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Cl)ccc1N ZINC000092622351 185329991 /nfs/dbraw/zinc/32/99/91/185329991.db2.gz FJJIAVKXABWQDB-NSHDSACASA-N 1 1 317.842 1.637 10 0 DDAEMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000092627674 185330311 /nfs/dbraw/zinc/33/03/11/185330311.db2.gz WPBARZHREPMAHH-SNVBAGLBSA-N 1 1 303.815 1.450 10 0 DDAEMO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)sc1CO ZINC000092678228 185333438 /nfs/dbraw/zinc/33/34/38/185333438.db2.gz PLIAWPBHAQQTJS-LLVKDONJSA-N 1 1 318.464 1.264 10 0 DDAEMO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)sc1CO ZINC000092678228 185333439 /nfs/dbraw/zinc/33/34/39/185333439.db2.gz PLIAWPBHAQQTJS-LLVKDONJSA-N 1 1 318.464 1.264 10 0 DDAEMO C[NH2+][C@@H]1C(=O)Nc2cc(OCCCO)c(Br)cc21 ZINC000092776659 185339675 /nfs/dbraw/zinc/33/96/75/185339675.db2.gz DAEYFKPPESAYHY-NSHDSACASA-N 1 1 315.167 1.423 10 0 DDAEMO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCCN(Cc2cccs2)CC1 ZINC000092954297 185350427 /nfs/dbraw/zinc/35/04/27/185350427.db2.gz QPPZGEMQHRRPHB-HIFRSBDPSA-N 1 1 307.463 1.780 10 0 DDAEMO C[N@H+](Cc1ccc2ccccc2n1)C[C@@H](O)CN1CCOCC1 ZINC000083245505 192369101 /nfs/dbraw/zinc/36/91/01/192369101.db2.gz FLCSXUQGMNHPQQ-QGZVFWFLSA-N 1 1 315.417 1.360 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)/C=C/c2ccc[nH]2)C[C@@H]1CC ZINC000188035484 186247477 /nfs/dbraw/zinc/24/74/77/186247477.db2.gz FHQGFQMWBMMIQC-WAVCKPEOSA-N 1 1 305.422 1.987 10 0 DDAEMO C[C@H](C(=O)N1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000237449149 186290917 /nfs/dbraw/zinc/29/09/17/186290917.db2.gz IIHZDMUFTDIKGF-PBHICJAKSA-N 1 1 301.434 1.773 10 0 DDAEMO Cc1ccccc1OCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171903638 198005265 /nfs/dbraw/zinc/00/52/65/198005265.db2.gz OHARCUSZGQURCV-OAHLLOKOSA-N 1 1 303.406 1.863 10 0 DDAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000172446635 198098074 /nfs/dbraw/zinc/09/80/74/198098074.db2.gz ZOKHGZIRGSOHLY-OLZOCXBDSA-N 1 1 321.425 1.269 10 0 DDAEMO NC(=O)NC(=O)CCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173712392 198243237 /nfs/dbraw/zinc/24/32/37/198243237.db2.gz GPKIVQVEGJMNIM-UHFFFAOYSA-N 1 1 321.381 1.281 10 0 DDAEMO Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000173830803 198258498 /nfs/dbraw/zinc/25/84/98/198258498.db2.gz ICZCFQKICDPRGF-CJNGLKHVSA-N 1 1 303.406 1.112 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000173885466 198265002 /nfs/dbraw/zinc/26/50/02/198265002.db2.gz LJOJOKQYCKKWCP-RISCZKNCSA-N 1 1 300.399 1.833 10 0 DDAEMO COc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)ncn1 ZINC000182149716 199393607 /nfs/dbraw/zinc/39/36/07/199393607.db2.gz KEDYQYMYMYWZSP-GFCCVEGCSA-N 1 1 316.365 1.687 10 0 DDAEMO Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H](c3nncn3C)C2)n1 ZINC000091428990 353825928 /nfs/dbraw/zinc/82/59/28/353825928.db2.gz DOTNFMJNFJAFEP-CYBMUJFWSA-N 1 1 324.392 1.483 10 0 DDAEMO C[N@@H+](CC1CC1)C[C@H]1CN(Cc2cnn3ccccc23)CCO1 ZINC000328630434 354553634 /nfs/dbraw/zinc/55/36/34/354553634.db2.gz JJXUEBAHDUORDC-KRWDZBQOSA-N 1 1 314.433 1.877 10 0 DDAEMO C[C@]1(CNCc2cc(Br)cs2)COC[C@@H]1[NH3+] ZINC000085396749 192499691 /nfs/dbraw/zinc/49/96/91/192499691.db2.gz DJEUNJRWDBJRTJ-QWRGUYRKSA-N 1 1 305.241 1.964 10 0 DDAEMO CNCc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(C)o1 ZINC000088969290 192672664 /nfs/dbraw/zinc/67/26/64/192672664.db2.gz UDCZBPODOJUMNF-UHFFFAOYSA-N 1 1 315.439 1.022 10 0 DDAEMO Cn1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)c(-c2ccncc2)n1 ZINC000179470115 199041662 /nfs/dbraw/zinc/04/16/62/199041662.db2.gz YHOMNVGHWGLWLP-INIZCTEOSA-N 1 1 323.404 1.911 10 0 DDAEMO Cc1n[nH]cc1CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179505230 199047695 /nfs/dbraw/zinc/04/76/95/199047695.db2.gz DCNVTELFONWQDA-KRWDZBQOSA-N 1 1 300.406 1.569 10 0 DDAEMO COCc1ccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000180228497 199133374 /nfs/dbraw/zinc/13/33/74/199133374.db2.gz LFOGODUBHFGRKY-QAPCUYQASA-N 1 1 304.434 1.986 10 0 DDAEMO CCN(CC)C(=O)CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282162 201373716 /nfs/dbraw/zinc/37/37/16/201373716.db2.gz RFTWPGLPSAOTGR-QGZVFWFLSA-N 1 1 318.465 1.704 10 0 DDAEMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195282162 201373719 /nfs/dbraw/zinc/37/37/19/201373719.db2.gz RFTWPGLPSAOTGR-QGZVFWFLSA-N 1 1 318.465 1.704 10 0 DDAEMO CCN(CC)C(=O)C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195282162 201373721 /nfs/dbraw/zinc/37/37/21/201373721.db2.gz RFTWPGLPSAOTGR-QGZVFWFLSA-N 1 1 318.465 1.704 10 0 DDAEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000195299823 201375979 /nfs/dbraw/zinc/37/59/79/201375979.db2.gz UMEGORBKGBFCIQ-DLBZAZTESA-N 1 1 317.433 1.789 10 0 DDAEMO C[C@@H](C(N)=S)N1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092261123 193182274 /nfs/dbraw/zinc/18/22/74/193182274.db2.gz BCDUNGFLPBQDJN-JSGCOSHPSA-N 1 1 321.515 1.996 10 0 DDAEMO C[NH2+]CCc1nc(O)c(-c2ccccc2Br)c(=O)[nH]1 ZINC000093177061 193211596 /nfs/dbraw/zinc/21/15/96/193211596.db2.gz SRRHYRANTPZJLK-UHFFFAOYSA-N 1 1 324.178 1.667 10 0 DDAEMO Cc1nnc(SCC[C@@H]2CCC[C@@]2([NH2+]C2CC2)C(N)=O)[nH]1 ZINC000093630026 193275982 /nfs/dbraw/zinc/27/59/82/193275982.db2.gz JLNVCFONNBJRTF-HZMBPMFUSA-N 1 1 309.439 1.372 10 0 DDAEMO CC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697344 193292462 /nfs/dbraw/zinc/29/24/62/193292462.db2.gz OCALSACTAPOTMG-UONOGXRCSA-N 1 1 302.440 1.102 10 0 DDAEMO CC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697344 193292464 /nfs/dbraw/zinc/29/24/64/193292464.db2.gz OCALSACTAPOTMG-UONOGXRCSA-N 1 1 302.440 1.102 10 0 DDAEMO C[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCC(=O)CC1 ZINC000093697346 193292893 /nfs/dbraw/zinc/29/28/93/193292893.db2.gz NVOPGLCZMBTZDV-GFCCVEGCSA-N 1 1 302.440 1.102 10 0 DDAEMO COC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](Sc2nnnn2C)C1 ZINC000093777035 193304409 /nfs/dbraw/zinc/30/44/09/193304409.db2.gz YUIYXJFFUHJYHO-MFKMUULPSA-N 1 1 313.427 1.155 10 0 DDAEMO Cc1cc(N)cc(C)c1S(=O)(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000093648135 193283689 /nfs/dbraw/zinc/28/36/89/193283689.db2.gz UEOOOCIBIWYFCD-CQSZACIVSA-N 1 1 309.435 1.258 10 0 DDAEMO COCCCN(CCOC)[C@@H]1CC[C@](CO)([NH2+]C(C)C)C1 ZINC000093856802 193319342 /nfs/dbraw/zinc/31/93/42/193319342.db2.gz KZMOZAMNSBVLKH-CVEARBPZSA-N 1 1 302.459 1.253 10 0 DDAEMO CCn1nc(C)c(Cl)c1C[C@@H](O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093925178 193328547 /nfs/dbraw/zinc/32/85/47/193328547.db2.gz IIQCRRLNYWHVEF-KGLIPLIRSA-N 1 1 315.845 1.877 10 0 DDAEMO CCn1nc(C)c(Cl)c1C[C@@H](O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093925178 193328550 /nfs/dbraw/zinc/32/85/50/193328550.db2.gz IIQCRRLNYWHVEF-KGLIPLIRSA-N 1 1 315.845 1.877 10 0 DDAEMO CC1(C)CSC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)N2CCNCC2)C1 ZINC000094490236 193373153 /nfs/dbraw/zinc/37/31/53/193373153.db2.gz NSHLWSNFWPVXOJ-UONOGXRCSA-N 1 1 311.495 1.414 10 0 DDAEMO CC1(C)CSC[C@@H]([N@H+]2CCC[C@@H]2C(=O)N2CCNCC2)C1 ZINC000094490236 193373155 /nfs/dbraw/zinc/37/31/55/193373155.db2.gz NSHLWSNFWPVXOJ-UONOGXRCSA-N 1 1 311.495 1.414 10 0 DDAEMO CC1(C)CSC[C@@](CN)([N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000094489556 193373360 /nfs/dbraw/zinc/37/33/60/193373360.db2.gz YIRXUAHUSRTQRS-GOEBONIOSA-N 1 1 313.511 1.254 10 0 DDAEMO CC1(C)CSC[C@@](CN)([N@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000094489556 193373362 /nfs/dbraw/zinc/37/33/62/193373362.db2.gz YIRXUAHUSRTQRS-GOEBONIOSA-N 1 1 313.511 1.254 10 0 DDAEMO CC[N@@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1NN ZINC000094599570 193383000 /nfs/dbraw/zinc/38/30/00/193383000.db2.gz FDOSKUYQJXPWSO-UHFFFAOYSA-N 1 1 304.316 1.673 10 0 DDAEMO Cc1cccc(CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000175698942 306686773 /nfs/dbraw/zinc/68/67/73/306686773.db2.gz AFHLHWKUEGECRT-CJNGLKHVSA-N 1 1 318.421 1.252 10 0 DDAEMO Cc1ccc(N2C[C@@H](C(=O)N3CC[NH+](C)CC3)CC2=O)c(C)c1 ZINC000015465819 182004161 /nfs/dbraw/zinc/00/41/61/182004161.db2.gz HLFPHFDRMGVSEX-HNNXBMFYSA-N 1 1 315.417 1.430 10 0 DDAEMO [NH3+][C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000020475485 182221479 /nfs/dbraw/zinc/22/14/79/182221479.db2.gz FRLPFVXUBQYFGY-LLVKDONJSA-N 1 1 319.224 1.909 10 0 DDAEMO CC(C)NS(=O)(=O)c1ccccc1N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673421 183115927 /nfs/dbraw/zinc/11/59/27/183115927.db2.gz ICBXDUKFWUXBSQ-CYBMUJFWSA-N 1 1 311.451 1.879 10 0 DDAEMO CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040673404 183116111 /nfs/dbraw/zinc/11/61/11/183116111.db2.gz KJYXDPJTUKCOFD-AWEZNQCLSA-N 1 1 311.451 1.879 10 0 DDAEMO CN1CC[NH+](CCCNC(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000040808814 183136693 /nfs/dbraw/zinc/13/66/93/183136693.db2.gz LUUXCAGJZNJDAU-UHFFFAOYSA-N 1 1 310.829 1.290 10 0 DDAEMO C[C@H]([NH2+]Cc1cc(Br)ccc1F)C(=O)NC(N)=O ZINC000041065366 183161733 /nfs/dbraw/zinc/16/17/33/183161733.db2.gz XWRZPVKKAYNRNC-LURJTMIESA-N 1 1 318.146 1.261 10 0 DDAEMO CC(=O)NCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000041309101 183185231 /nfs/dbraw/zinc/18/52/31/183185231.db2.gz CSYXUDORDMVTDT-CQSZACIVSA-N 1 1 311.813 1.585 10 0 DDAEMO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(CN)s1 ZINC000041681979 183216704 /nfs/dbraw/zinc/21/67/04/183216704.db2.gz ALCJHNYAXPRTCU-SNVBAGLBSA-N 1 1 305.469 1.215 10 0 DDAEMO CCCN(CC[NH+](C)C)S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000041681758 183217060 /nfs/dbraw/zinc/21/70/60/183217060.db2.gz SSTHGBZYXDVGSN-UHFFFAOYSA-N 1 1 312.435 1.852 10 0 DDAEMO CC(C)[N@@H+](CCO)CCC(=O)Nc1ccc(C(N)=S)cc1 ZINC000042479350 183275534 /nfs/dbraw/zinc/27/55/34/183275534.db2.gz VUSNHMCNXAIABP-UHFFFAOYSA-N 1 1 309.435 1.352 10 0 DDAEMO COCC[N@H+](Cc1cc(C(N)=S)ccc1F)[C@@H](C)COC ZINC000042607586 183290829 /nfs/dbraw/zinc/29/08/29/183290829.db2.gz YXYVXUDTHZOODV-NSHDSACASA-N 1 1 314.426 1.943 10 0 DDAEMO COCC[N@@H+](Cc1cc(C(N)=S)ccc1F)[C@@H](C)COC ZINC000042607586 183290830 /nfs/dbraw/zinc/29/08/30/183290830.db2.gz YXYVXUDTHZOODV-NSHDSACASA-N 1 1 314.426 1.943 10 0 DDAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000284693005 218135819 /nfs/dbraw/zinc/13/58/19/218135819.db2.gz ZCLHBKMTCXABAJ-DLBZAZTESA-N 1 1 319.380 1.652 10 0 DDAEMO Cc1cnc(C)c(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000273919036 211172422 /nfs/dbraw/zinc/17/24/22/211172422.db2.gz ZGDMTUIEIJSLIX-UHFFFAOYSA-N 1 1 300.410 1.539 10 0 DDAEMO CC[C@H]1CN(Cc2nccn2C(F)F)CC[N@H+]1C[C@@H](C)O ZINC000105826544 194137163 /nfs/dbraw/zinc/13/71/63/194137163.db2.gz 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CCc1nnc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)n1C ZINC000188130171 200198970 /nfs/dbraw/zinc/19/89/70/200198970.db2.gz BXRDRUNWFJQSRD-STQMWFEESA-N 1 1 306.435 1.647 10 0 DDAEMO CCc1nnc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)n1C ZINC000188130171 200198972 /nfs/dbraw/zinc/19/89/72/200198972.db2.gz BXRDRUNWFJQSRD-STQMWFEESA-N 1 1 306.435 1.647 10 0 DDAEMO CCCCOC[C@@H](O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000193368156 201039634 /nfs/dbraw/zinc/03/96/34/201039634.db2.gz LAGZMCZVQWVNPU-LSDHHAIUSA-N 1 1 309.406 1.936 10 0 DDAEMO Cc1cc(C)nc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000193536282 201071008 /nfs/dbraw/zinc/07/10/08/201071008.db2.gz COCNSQDSCJOWRF-JSGCOSHPSA-N 1 1 318.421 1.482 10 0 DDAEMO Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 ZINC000194381219 201215190 /nfs/dbraw/zinc/21/51/90/201215190.db2.gz UKHSEZPIZMGDEX-AWEZNQCLSA-N 1 1 318.421 1.260 10 0 DDAEMO CC[C@H](C)NC(=O)CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278471 201373335 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CCc1nn(C)c(C[C@@H](O)[C@H]2C[N@@H+](C(C)C)CCO2)c1Cl ZINC000093924509 193328103 /nfs/dbraw/zinc/32/81/03/193328103.db2.gz YBPYZBDTRWHPGN-ZIAGYGMSSA-N 1 1 315.845 1.649 10 0 DDAEMO CCc1nn(C)c(C[C@@H](O)[C@H]2C[N@H+](C(C)C)CCO2)c1Cl ZINC000093924509 193328104 /nfs/dbraw/zinc/32/81/04/193328104.db2.gz YBPYZBDTRWHPGN-ZIAGYGMSSA-N 1 1 315.845 1.649 10 0 DDAEMO Cc1nn(C)c(C[C@H](O)[C@H]2C[N@H+](C(C)C)CCO2)c1Cl ZINC000093924851 193328813 /nfs/dbraw/zinc/32/88/13/193328813.db2.gz UAGXFCWRNUNWAW-QWHCGFSZSA-N 1 1 301.818 1.395 10 0 DDAEMO Cc1nn(C)c(C[C@H](O)[C@H]2C[N@@H+](C(C)C)CCO2)c1Cl ZINC000093924851 193328815 /nfs/dbraw/zinc/32/88/15/193328815.db2.gz UAGXFCWRNUNWAW-QWHCGFSZSA-N 1 1 301.818 1.395 10 0 DDAEMO COC(=O)[C@](C)(CCCCSC[C@H](O)CO)[NH2+]C(C)C ZINC000093960076 193332086 /nfs/dbraw/zinc/33/20/86/193332086.db2.gz DTDOZELFJRUKMQ-OCCSQVGLSA-N 1 1 307.456 1.173 10 0 DDAEMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094643593 193389971 /nfs/dbraw/zinc/38/99/71/193389971.db2.gz URDFQXJRBRARDK-MCIONIFRSA-N 1 1 317.451 1.617 10 0 DDAEMO [NH3+][C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000019874251 182159334 /nfs/dbraw/zinc/15/93/34/182159334.db2.gz DJDRTRHNKSHJPY-LLVKDONJSA-N 1 1 319.224 1.909 10 0 DDAEMO Cc1ccccc1N1C[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000021347390 182272606 /nfs/dbraw/zinc/27/26/06/182272606.db2.gz JPSIFNWRIGRVSB-AWEZNQCLSA-N 1 1 301.390 1.122 10 0 DDAEMO Cc1cccc(C(=O)NC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000039841859 183022451 /nfs/dbraw/zinc/02/24/51/183022451.db2.gz HCVRELMJTNQBNL-UHFFFAOYSA-N 1 1 321.446 1.322 10 0 DDAEMO CC[NH+]1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1 ZINC000040563505 183103268 /nfs/dbraw/zinc/10/32/68/183103268.db2.gz XPKFROIHKUKMRP-UHFFFAOYSA-N 1 1 314.389 1.020 10 0 DDAEMO CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042782433 183309303 /nfs/dbraw/zinc/30/93/03/183309303.db2.gz OUAVTZKSUKJEOT-UHFFFAOYSA-N 1 1 319.496 1.415 10 0 DDAEMO CCC(CC)[N@@H+](CCOC)[C@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044177914 183397436 /nfs/dbraw/zinc/39/74/36/183397436.db2.gz FCPQAHIAIIMQOT-GJZGRUSLSA-N 1 1 301.427 1.780 10 0 DDAEMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3nccn3c2)[N@@H+](C)C1 ZINC000284602851 218097090 /nfs/dbraw/zinc/09/70/90/218097090.db2.gz ANAFXYYDYIAMQP-KBPBESRZSA-N 1 1 302.378 1.125 10 0 DDAEMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N(C2CC2)C2CCCC2)C[C@H]1C ZINC000105824222 194137668 /nfs/dbraw/zinc/13/76/68/194137668.db2.gz SMPRKRXQBBVPQQ-HUUCEWRRSA-N 1 1 323.481 1.307 10 0 DDAEMO CCCCc1noc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)n1 ZINC000105826859 194137884 /nfs/dbraw/zinc/13/78/84/194137884.db2.gz ABZCEMTWQKQWAR-ZIAGYGMSSA-N 1 1 310.442 1.689 10 0 DDAEMO COCC[N@H+]1CCN(C[C@H](O)c2c(F)cccc2F)C[C@H]1C ZINC000105833844 194142912 /nfs/dbraw/zinc/14/29/12/194142912.db2.gz CYFBHQPUIJHWEO-DOMZBBRYSA-N 1 1 314.376 1.651 10 0 DDAEMO COCC[N@@H+]1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@H]1C ZINC000105832857 194143190 /nfs/dbraw/zinc/14/31/90/194143190.db2.gz UXPSYCBZCNDGAG-BZUAXINKSA-N 1 1 311.470 1.428 10 0 DDAEMO COCC[N@H+]1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@H]1C ZINC000105832857 194143193 /nfs/dbraw/zinc/14/31/93/194143193.db2.gz UXPSYCBZCNDGAG-BZUAXINKSA-N 1 1 311.470 1.428 10 0 DDAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000105851577 194146568 /nfs/dbraw/zinc/14/65/68/194146568.db2.gz GSDLGVMSAWYEOV-GFCCVEGCSA-N 1 1 315.377 1.017 10 0 DDAEMO COC(=O)c1occc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883762 194157998 /nfs/dbraw/zinc/15/79/98/194157998.db2.gz MDCUXOJGAZWQDY-GFCCVEGCSA-N 1 1 304.350 1.570 10 0 DDAEMO COC(=O)c1occc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883762 194158000 /nfs/dbraw/zinc/15/80/00/194158000.db2.gz MDCUXOJGAZWQDY-GFCCVEGCSA-N 1 1 304.350 1.570 10 0 DDAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000105897276 194161965 /nfs/dbraw/zinc/16/19/65/194161965.db2.gz RDNVBMKDFMZFEM-LSDHHAIUSA-N 1 1 322.453 1.624 10 0 DDAEMO C[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000109457607 194264322 /nfs/dbraw/zinc/26/43/22/194264322.db2.gz RLUFUHGHNQMGCU-SECBINFHSA-N 1 1 313.373 1.397 10 0 DDAEMO C[C@H]1[NH2+]CCN(Cc2ccc(F)cc2Br)C1=O ZINC000110673321 194348058 /nfs/dbraw/zinc/34/80/58/194348058.db2.gz LXMZCYNPKGWXSN-MRVPVSSYSA-N 1 1 301.159 1.909 10 0 DDAEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1OCC(=O)N2 ZINC000110993535 194378141 /nfs/dbraw/zinc/37/81/41/194378141.db2.gz OAWFJSSRQBYPTN-GFCCVEGCSA-N 1 1 317.389 1.622 10 0 DDAEMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)N1CCc2ccccc21 ZINC000059283171 184136617 /nfs/dbraw/zinc/13/66/17/184136617.db2.gz YAAVNMCJELWSEZ-KKUMJFAQSA-N 1 1 313.401 1.365 10 0 DDAEMO CC[N@@H+](C)CCNC(=O)c1cc(N)c(F)cc1Br ZINC000061089391 184161154 /nfs/dbraw/zinc/16/11/54/184161154.db2.gz JJNHSQGPHBWMFS-UHFFFAOYSA-N 1 1 318.190 1.852 10 0 DDAEMO CCOC(=O)[C@@](C)(CCCSc1n[nH]c(=O)n1CC)[NH2+]C ZINC000061607700 184177848 /nfs/dbraw/zinc/17/78/48/184177848.db2.gz MFQVOBVDGSZSNE-CYBMUJFWSA-N 1 1 316.427 1.005 10 0 DDAEMO C[N@@H+](CCNS(=O)(=O)c1cc(N)c(F)cc1Cl)C1CC1 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Cc1ccc(C)c(OCC[N@@H+]2CC[C@](O)(c3c[nH]nn3)C2)c1 ZINC000284549975 218074392 /nfs/dbraw/zinc/07/43/92/218074392.db2.gz GMZCLLCSHYEPME-MRXNPFEDSA-N 1 1 302.378 1.394 10 0 DDAEMO Cc1ccc(C)c(OCC[N@H+]2CC[C@](O)(c3c[nH]nn3)C2)c1 ZINC000284549975 218074395 /nfs/dbraw/zinc/07/43/95/218074395.db2.gz GMZCLLCSHYEPME-MRXNPFEDSA-N 1 1 302.378 1.394 10 0 DDAEMO COc1cccc(F)c1C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000284664351 218123050 /nfs/dbraw/zinc/12/30/50/218123050.db2.gz GJDRRNWUAGRXJW-RYUDHWBXSA-N 1 1 310.369 1.625 10 0 DDAEMO Cc1cc(C)n(CCCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000105076661 194070353 /nfs/dbraw/zinc/07/03/53/194070353.db2.gz PXURMPTYGYSHOH-MRXNPFEDSA-N 1 1 319.453 1.770 10 0 DDAEMO CC[C@H]1CN(CCOc2ccc(F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000105825088 194137374 /nfs/dbraw/zinc/13/73/74/194137374.db2.gz MWOMDAVNGGJFNW-ZBFHGGJFSA-N 1 1 310.413 1.982 10 0 DDAEMO O[C@H](C[N@H+]1CCCN(c2cccnn2)CC1)c1ccccc1F ZINC000105799750 194132195 /nfs/dbraw/zinc/13/21/95/194132195.db2.gz VYFJIWNCCJTUGT-MRXNPFEDSA-N 1 1 316.380 1.861 10 0 DDAEMO CCOCC[N@H+]1CCN(Cc2cn3cccnc3n2)C[C@@H]1C ZINC000105835158 194142957 /nfs/dbraw/zinc/14/29/57/194142957.db2.gz DIPDEHSRRDXPGS-AWEZNQCLSA-N 1 1 303.410 1.272 10 0 DDAEMO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000105904262 194167023 /nfs/dbraw/zinc/16/70/23/194167023.db2.gz NORTUSHQULYKKT-HOTGVXAUSA-N 1 1 316.405 1.663 10 0 DDAEMO C[NH2+][C@@H]1CCCN(CC(=O)NC(=O)c2ccccc2Cl)C1 ZINC000053204154 183892691 /nfs/dbraw/zinc/89/26/91/183892691.db2.gz MFZFNKWIDULKEK-LLVKDONJSA-N 1 1 309.797 1.280 10 0 DDAEMO CC[C@@H]1CN(Cc2nc3c(cnn3C)c(Cl)n2)CC[N@H+]1C ZINC000110717632 194353940 /nfs/dbraw/zinc/35/39/40/194353940.db2.gz FNGGDQMSIKGMTK-SNVBAGLBSA-N 1 1 308.817 1.543 10 0 DDAEMO CC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2N)CC[N@H+]1C ZINC000110703312 194351639 /nfs/dbraw/zinc/35/16/39/194351639.db2.gz YZFRGNSZMVLJFI-LBPRGKRZSA-N 1 1 310.829 1.887 10 0 DDAEMO CN(C)CC[N@H+](C)CCC(=O)Nc1ccc(C(N)=S)cc1 ZINC000111137372 194394466 /nfs/dbraw/zinc/39/44/66/194394466.db2.gz YKUFHOLRNCQFIO-UHFFFAOYSA-N 1 1 308.451 1.143 10 0 DDAEMO CN(C)CC[N@@H+](C)CCC(=O)Nc1ccc(C(N)=S)cc1 ZINC000111137372 194394467 /nfs/dbraw/zinc/39/44/67/194394467.db2.gz YKUFHOLRNCQFIO-UHFFFAOYSA-N 1 1 308.451 1.143 10 0 DDAEMO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCN(C)C)cc1 ZINC000111141363 194394720 /nfs/dbraw/zinc/39/47/20/194394720.db2.gz FAHLCZLFBIDRFW-UHFFFAOYSA-N 1 1 313.467 1.368 10 0 DDAEMO CC[N@H+]1CC[C@H](CNC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000058923866 184131669 /nfs/dbraw/zinc/13/16/69/184131669.db2.gz GXJZIFKSNQLLPV-GDBMZVCRSA-N 1 1 311.470 1.631 10 0 DDAEMO Clc1nc(N[C@H]2CC[N@H+](C3CC3)C2)nc(-n2ccnc2)n1 ZINC000061540927 184173632 /nfs/dbraw/zinc/17/36/32/184173632.db2.gz HVSFSKXJXVTXIY-VIFPVBQESA-N 1 1 305.773 1.359 10 0 DDAEMO CN(C)C[C@@H]1CCC[N@@H+]1CCOc1ccccc1C(N)=S ZINC000061644333 184180422 /nfs/dbraw/zinc/18/04/22/184180422.db2.gz HLJNYXLLGRVYPL-ZDUSSCGKSA-N 1 1 307.463 1.726 10 0 DDAEMO CN(C)C[C@@H]1CCC[N@H+]1CCOc1ccccc1C(N)=S ZINC000061644333 184180423 /nfs/dbraw/zinc/18/04/23/184180423.db2.gz HLJNYXLLGRVYPL-ZDUSSCGKSA-N 1 1 307.463 1.726 10 0 DDAEMO CNS(=O)(=O)c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1C ZINC000061981699 184200020 /nfs/dbraw/zinc/20/00/20/184200020.db2.gz GZMKGFMAZJUBKE-CYBMUJFWSA-N 1 1 309.435 1.552 10 0 DDAEMO CCCN[C@H](CC[N@@H+](CC)C[C@@H]1CCCO1)C(=O)OCC ZINC000062458589 184238218 /nfs/dbraw/zinc/23/82/18/184238218.db2.gz ZACNZEZEXRQPTK-LSDHHAIUSA-N 1 1 300.443 1.809 10 0 DDAEMO NNc1ccc(Cl)c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)n1 ZINC000062943623 184261711 /nfs/dbraw/zinc/26/17/11/184261711.db2.gz MODGMOOKBJQLMJ-SNVBAGLBSA-N 1 1 309.801 1.331 10 0 DDAEMO NN=c1[nH]cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000062943611 184261827 /nfs/dbraw/zinc/26/18/27/184261827.db2.gz BMAOCQOYBFHSJJ-LLVKDONJSA-N 1 1 309.801 1.331 10 0 DDAEMO NNc1ncc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000062943611 184261828 /nfs/dbraw/zinc/26/18/28/184261828.db2.gz BMAOCQOYBFHSJJ-LLVKDONJSA-N 1 1 309.801 1.331 10 0 DDAEMO NNc1ncc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000062943611 184261830 /nfs/dbraw/zinc/26/18/30/184261830.db2.gz BMAOCQOYBFHSJJ-LLVKDONJSA-N 1 1 309.801 1.331 10 0 DDAEMO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](CC2CC2)[C@H]2CCCO[C@@H]12 ZINC000248120848 257107772 /nfs/dbraw/zinc/10/77/72/257107772.db2.gz KDJHDGGTQDIRRG-YCPHGPKFSA-N 1 1 303.406 1.397 10 0 DDAEMO O=C1CCCN1C[C@@H]1OC[C@H]2CC[N@@H+](Cc3ccncc3)C[C@@H]12 ZINC000248069034 257109726 /nfs/dbraw/zinc/10/97/26/257109726.db2.gz XGSYXOSUOZCYFF-ZACQAIPSSA-N 1 1 315.417 1.541 10 0 DDAEMO c1cncc(CO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)[C@H]3COC[C@H]32)c1 ZINC000247966933 257112858 /nfs/dbraw/zinc/11/28/58/257112858.db2.gz QWORJFGLCWCFGW-VVLHAWIVSA-N 1 1 304.390 1.334 10 0 DDAEMO CNC(=O)C[C@@H]1C[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2O1 ZINC000247984132 257113469 /nfs/dbraw/zinc/11/34/69/257113469.db2.gz YJIGTSJQOKUNEU-IKGGRYGDSA-N 1 1 318.417 1.429 10 0 DDAEMO CNC(=O)[C@@H]1C[C@H]2CC[N@@H+](CCOCc3ccccc3)C[C@@H]2O1 ZINC000247940506 257113677 /nfs/dbraw/zinc/11/36/77/257113677.db2.gz IKZYUDUNQJGVDQ-IKGGRYGDSA-N 1 1 318.417 1.429 10 0 DDAEMO COCCN1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2C1=O ZINC000247879572 257115531 /nfs/dbraw/zinc/11/55/31/257115531.db2.gz PQPHXKPSSVADID-GDBMZVCRSA-N 1 1 306.381 1.752 10 0 DDAEMO COC[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000247843143 257115829 /nfs/dbraw/zinc/11/58/29/257115829.db2.gz LNZTVUIGFAQKJV-YOEHRIQHSA-N 1 1 307.390 1.799 10 0 DDAEMO COCCNC(=O)c1nn(CCC(C)C)c2c1C[N@H+](C)CC2 ZINC000014754766 406877479 /nfs/dbraw/zinc/87/74/79/406877479.db2.gz BIXLLUTVTMJMTH-UHFFFAOYSA-N 1 1 308.426 1.293 10 0 DDAEMO COCCNC(=O)c1nn(CCC(C)C)c2c1C[N@@H+](C)CC2 ZINC000014754766 406877482 /nfs/dbraw/zinc/87/74/82/406877482.db2.gz BIXLLUTVTMJMTH-UHFFFAOYSA-N 1 1 308.426 1.293 10 0 DDAEMO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)COCc2ccccc2)C1 ZINC000084963876 407096554 /nfs/dbraw/zinc/09/65/54/407096554.db2.gz PSGLIMHEUBSNLC-ROUUACIJSA-N 1 1 306.450 1.838 10 0 DDAEMO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)COCc2ccccc2)C1 ZINC000084963876 407096556 /nfs/dbraw/zinc/09/65/56/407096556.db2.gz PSGLIMHEUBSNLC-ROUUACIJSA-N 1 1 306.450 1.838 10 0 DDAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)cn1 ZINC000105831122 407355860 /nfs/dbraw/zinc/35/58/60/407355860.db2.gz CCGBTJADCOSPER-MRXNPFEDSA-N 1 1 320.437 1.364 10 0 DDAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)cn1 ZINC000105831122 407355861 /nfs/dbraw/zinc/35/58/61/407355861.db2.gz CCGBTJADCOSPER-MRXNPFEDSA-N 1 1 320.437 1.364 10 0 DDAEMO CC(C)[C@@H](C)NC(=O)CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105869335 407356374 /nfs/dbraw/zinc/35/63/74/407356374.db2.gz PLLLSXFFPGLFPH-OAHLLOKOSA-N 1 1 321.469 1.089 10 0 DDAEMO CC(C)[C@@H](C)NC(=O)CN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105869335 407356375 /nfs/dbraw/zinc/35/63/75/407356375.db2.gz PLLLSXFFPGLFPH-OAHLLOKOSA-N 1 1 321.469 1.089 10 0 DDAEMO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869335 407356376 /nfs/dbraw/zinc/35/63/76/407356376.db2.gz PLLLSXFFPGLFPH-OAHLLOKOSA-N 1 1 321.469 1.089 10 0 DDAEMO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869335 407356378 /nfs/dbraw/zinc/35/63/78/407356378.db2.gz PLLLSXFFPGLFPH-OAHLLOKOSA-N 1 1 321.469 1.089 10 0 DDAEMO CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883393 407356391 /nfs/dbraw/zinc/35/63/91/407356391.db2.gz BRESXEHEORFJRB-OAHLLOKOSA-N 1 1 307.442 1.639 10 0 DDAEMO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869688 407356441 /nfs/dbraw/zinc/35/64/41/407356441.db2.gz HXHDLQPYIHPJEE-OAHLLOKOSA-N 1 1 321.469 1.185 10 0 DDAEMO CCCCOC(=O)CC[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917661 407357591 /nfs/dbraw/zinc/35/75/91/407357591.db2.gz HSBFWDPYBPOHTJ-UHFFFAOYSA-N 1 1 322.453 1.661 10 0 DDAEMO CCCCOC(=O)CCN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105917661 407357593 /nfs/dbraw/zinc/35/75/93/407357593.db2.gz HSBFWDPYBPOHTJ-UHFFFAOYSA-N 1 1 322.453 1.661 10 0 DDAEMO CCCCOC(=O)CCN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105917661 407357594 /nfs/dbraw/zinc/35/75/94/407357594.db2.gz HSBFWDPYBPOHTJ-UHFFFAOYSA-N 1 1 322.453 1.661 10 0 DDAEMO COc1cccc(OCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113231054 407476630 /nfs/dbraw/zinc/47/66/30/407476630.db2.gz BWKDRVMISFTAEU-UONOGXRCSA-N 1 1 304.390 1.769 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000113227987 407477665 /nfs/dbraw/zinc/47/76/65/407477665.db2.gz NZZQROVGOFRYPE-GXTWGEPZSA-N 1 1 311.385 1.837 10 0 DDAEMO Cc1cccn2c(=O)cc(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)nc12 ZINC000113269012 407486052 /nfs/dbraw/zinc/48/60/52/407486052.db2.gz OQPBOEZZAGYNMR-HOCLYGCPSA-N 1 1 312.417 1.671 10 0 DDAEMO CCCCOCCNC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152182644 407579008 /nfs/dbraw/zinc/57/90/08/407579008.db2.gz NGQAQWPHMRDUMT-INIZCTEOSA-N 1 1 321.421 1.468 10 0 DDAEMO CCCCOCCNC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152182644 407579013 /nfs/dbraw/zinc/57/90/13/407579013.db2.gz NGQAQWPHMRDUMT-INIZCTEOSA-N 1 1 321.421 1.468 10 0 DDAEMO CCCCn1nccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000151867504 407516787 /nfs/dbraw/zinc/51/67/87/407516787.db2.gz BWASDCSMUOQLNF-ZDUSSCGKSA-N 1 1 321.425 1.222 10 0 DDAEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000128500918 407540156 /nfs/dbraw/zinc/54/01/56/407540156.db2.gz QBOCDWATTGAKKI-LBPRGKRZSA-N 1 1 323.422 1.205 10 0 DDAEMO C[C@@H]1CN(C(=O)NCC2(C3CC3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000152285558 407601550 /nfs/dbraw/zinc/60/15/50/407601550.db2.gz IEUSWJCDWQUJBB-UKRRQHHQSA-N 1 1 307.438 1.539 10 0 DDAEMO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1 ZINC000261962970 407691038 /nfs/dbraw/zinc/69/10/38/407691038.db2.gz PUHYCWGIFOZQFH-RISCZKNCSA-N 1 1 305.378 1.597 10 0 DDAEMO CC(C)c1nc(CN(C)[C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261962629 407691290 /nfs/dbraw/zinc/69/12/90/407691290.db2.gz PKORBGQYZPUUSS-LSDHHAIUSA-N 1 1 321.469 1.699 10 0 DDAEMO CCCC(=O)Nc1ccc(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1 ZINC000261992662 407704332 /nfs/dbraw/zinc/70/43/32/407704332.db2.gz SZYOMRMBAYJRCV-WBMJQRKESA-N 1 1 319.405 1.418 10 0 DDAEMO CC(C)Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261901945 407664416 /nfs/dbraw/zinc/66/44/16/407664416.db2.gz HUTDBXIZZAPZJB-XHSDSOJGSA-N 1 1 306.454 1.786 10 0 DDAEMO CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116313586 407741419 /nfs/dbraw/zinc/74/14/19/407741419.db2.gz WTCBMJGMKDJMOH-MRXNPFEDSA-N 1 1 312.417 1.868 10 0 DDAEMO Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320019 407744534 /nfs/dbraw/zinc/74/45/34/407744534.db2.gz POOWPLAQWBOXFY-INIZCTEOSA-N 1 1 312.417 1.834 10 0 DDAEMO Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320019 407744539 /nfs/dbraw/zinc/74/45/39/407744539.db2.gz POOWPLAQWBOXFY-INIZCTEOSA-N 1 1 312.417 1.834 10 0 DDAEMO O=C(CCCC[NH+]1CCOCC1)N[C@H]1COc2ccccc21 ZINC000171768378 407764962 /nfs/dbraw/zinc/76/49/62/407764962.db2.gz YNRJMQWUCVXUSC-HNNXBMFYSA-N 1 1 304.390 1.739 10 0 DDAEMO COC[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000262302929 407789685 /nfs/dbraw/zinc/78/96/85/407789685.db2.gz OCKJZRQNZDKMEN-PVAVHDDUSA-N 1 1 319.449 1.377 10 0 DDAEMO COC[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000262302929 407789694 /nfs/dbraw/zinc/78/96/94/407789694.db2.gz OCKJZRQNZDKMEN-PVAVHDDUSA-N 1 1 319.449 1.377 10 0 DDAEMO COc1cc(CCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1O ZINC000172231410 407812160 /nfs/dbraw/zinc/81/21/60/407812160.db2.gz PZMXCKZBOGLFJZ-CQSZACIVSA-N 1 1 319.405 1.433 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)Cn2nc(C)cc2C)C[C@H]1C ZINC000117281160 407819104 /nfs/dbraw/zinc/81/91/04/407819104.db2.gz NMMCNHDELQVMTD-OAHLLOKOSA-N 1 1 308.426 1.069 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)Cn2nc(C)cc2C)C[C@H]1C ZINC000117281160 407819110 /nfs/dbraw/zinc/81/91/10/407819110.db2.gz NMMCNHDELQVMTD-OAHLLOKOSA-N 1 1 308.426 1.069 10 0 DDAEMO CCCCO[C@H](C)C(=O)N1CC[N@H+](CCOCC)[C@H](C)C1 ZINC000117280533 407820568 /nfs/dbraw/zinc/82/05/68/407820568.db2.gz DYWZVHSFTCGVFU-HUUCEWRRSA-N 1 1 300.443 1.761 10 0 DDAEMO CCCCO[C@H](C)C(=O)N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000117280533 407820572 /nfs/dbraw/zinc/82/05/72/407820572.db2.gz DYWZVHSFTCGVFU-HUUCEWRRSA-N 1 1 300.443 1.761 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)COc2ccc(C)cc2C)C[C@@H]1C ZINC000117294049 407821740 /nfs/dbraw/zinc/82/17/40/407821740.db2.gz WCOBAJYFNCUBAY-INIZCTEOSA-N 1 1 320.433 1.861 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)COc2ccc(C)cc2C)C[C@@H]1C ZINC000117294049 407821747 /nfs/dbraw/zinc/82/17/47/407821747.db2.gz WCOBAJYFNCUBAY-INIZCTEOSA-N 1 1 320.433 1.861 10 0 DDAEMO C[C@H](C(=O)N[C@@H]1CCCc2cc(F)ccc21)N1CC[NH+](C)CC1 ZINC000153426464 407822671 /nfs/dbraw/zinc/82/26/71/407822671.db2.gz ZDEUWNNPWVXGIL-CXAGYDPISA-N 1 1 319.424 1.955 10 0 DDAEMO CCOc1ccccc1C(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117286046 407822697 /nfs/dbraw/zinc/82/26/97/407822697.db2.gz UTGYPFRBGGTTMO-CQSZACIVSA-N 1 1 306.406 1.878 10 0 DDAEMO CCOc1ccccc1C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117286046 407822702 /nfs/dbraw/zinc/82/27/02/407822702.db2.gz UTGYPFRBGGTTMO-CQSZACIVSA-N 1 1 306.406 1.878 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)c2ccc(OC)cc2OC)C[C@@H]1C ZINC000117293487 407823041 /nfs/dbraw/zinc/82/30/41/407823041.db2.gz GSIXPKGCBDHXMS-ZDUSSCGKSA-N 1 1 322.405 1.497 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)c2ccc(OC)cc2OC)C[C@@H]1C ZINC000117293487 407823048 /nfs/dbraw/zinc/82/30/48/407823048.db2.gz GSIXPKGCBDHXMS-ZDUSSCGKSA-N 1 1 322.405 1.497 10 0 DDAEMO CC[C@H]1CN(C(=O)c2sc(C)nc2C)CC[N@@H+]1CCOC ZINC000117306345 407826850 /nfs/dbraw/zinc/82/68/50/407826850.db2.gz FBUMIUDXKTYRLO-ZDUSSCGKSA-N 1 1 311.451 1.943 10 0 DDAEMO CC[C@H]1CN(C(=O)c2sc(C)nc2C)CC[N@H+]1CCOC ZINC000117306345 407826852 /nfs/dbraw/zinc/82/68/52/407826852.db2.gz FBUMIUDXKTYRLO-ZDUSSCGKSA-N 1 1 311.451 1.943 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2nnc(C)s2)C[C@H]1C ZINC000117397665 407834084 /nfs/dbraw/zinc/83/40/84/407834084.db2.gz JFERDTRIZRYGSC-SNVBAGLBSA-N 1 1 313.427 1.421 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)Nc2nnc(C)s2)C[C@H]1C ZINC000117397665 407834088 /nfs/dbraw/zinc/83/40/88/407834088.db2.gz JFERDTRIZRYGSC-SNVBAGLBSA-N 1 1 313.427 1.421 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)NCc2cccc(OC)c2)C[C@@H]1C ZINC000117398008 407834747 /nfs/dbraw/zinc/83/47/47/407834747.db2.gz YXBMFWAOGGKKJR-AWEZNQCLSA-N 1 1 321.421 1.557 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)NCc2cccc(OC)c2)C[C@@H]1C ZINC000117398008 407834755 /nfs/dbraw/zinc/83/47/55/407834755.db2.gz YXBMFWAOGGKKJR-AWEZNQCLSA-N 1 1 321.421 1.557 10 0 DDAEMO CC[C@@H]1CN(C(=O)NCCCSC)CC[N@H+]1CCOC ZINC000153491805 407836039 /nfs/dbraw/zinc/83/60/39/407836039.db2.gz IJZXORWHJZSOED-CYBMUJFWSA-N 1 1 303.472 1.492 10 0 DDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000174005091 407911893 /nfs/dbraw/zinc/91/18/93/407911893.db2.gz DDGCZTGZRHSJLU-HZSPNIEDSA-N 1 1 303.472 1.281 10 0 DDAEMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000180633152 407907251 /nfs/dbraw/zinc/90/72/51/407907251.db2.gz KUHDEQKQAOQAFS-GJZGRUSLSA-N 1 1 318.425 1.296 10 0 DDAEMO 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/nfs/dbraw/zinc/76/74/71/407767471.db2.gz MGIBHXPKGVNEGN-GFCCVEGCSA-N 1 1 310.304 1.380 10 0 DDAEMO CC[N@@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)CC1CC1 ZINC000171973778 407797814 /nfs/dbraw/zinc/79/78/14/407797814.db2.gz CRPUMDNXWABIOO-ZDUSSCGKSA-N 1 1 302.374 1.375 10 0 DDAEMO CCn1c(C)cc(C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)c1C ZINC000117284777 407818733 /nfs/dbraw/zinc/81/87/33/407818733.db2.gz VDSHUMBOLLREDZ-AWEZNQCLSA-N 1 1 307.438 1.918 10 0 DDAEMO CCn1c(C)cc(C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)c1C ZINC000117284777 407818739 /nfs/dbraw/zinc/81/87/39/407818739.db2.gz VDSHUMBOLLREDZ-AWEZNQCLSA-N 1 1 307.438 1.918 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(O)ccc2OC)C[C@@H]1C ZINC000187084566 407819399 /nfs/dbraw/zinc/81/93/99/407819399.db2.gz XSWGNZVAYKSINI-ZDUSSCGKSA-N 1 1 322.405 1.584 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2cc(O)ccc2OC)C[C@@H]1C ZINC000187084566 407819408 /nfs/dbraw/zinc/81/94/08/407819408.db2.gz XSWGNZVAYKSINI-ZDUSSCGKSA-N 1 1 322.405 1.584 10 0 DDAEMO C[C@@H](C(=O)N[C@@H]1CCCc2cc(F)ccc21)N1CC[NH+](C)CC1 ZINC000153426361 407821437 /nfs/dbraw/zinc/82/14/37/407821437.db2.gz ZDEUWNNPWVXGIL-SUMWQHHRSA-N 1 1 319.424 1.955 10 0 DDAEMO CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000153511125 407842205 /nfs/dbraw/zinc/84/22/05/407842205.db2.gz QHGHYJKERLBZQX-CYBMUJFWSA-N 1 1 318.425 1.165 10 0 DDAEMO CC[C@@H]1CN(C(=O)Cc2ccccc2OC)CC[N@H+]1CCOC ZINC000117308646 407827216 /nfs/dbraw/zinc/82/72/16/407827216.db2.gz RASZQXBXGXBGCM-MRXNPFEDSA-N 1 1 320.433 1.807 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)Nc2cccnc2Cl)C[C@@H]1C ZINC000117398351 407835673 /nfs/dbraw/zinc/83/56/73/407835673.db2.gz UOFHWOQUGCYNKL-NSHDSACASA-N 1 1 312.801 1.919 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)Nc2cccnc2Cl)C[C@@H]1C ZINC000117398351 407835680 /nfs/dbraw/zinc/83/56/80/407835680.db2.gz UOFHWOQUGCYNKL-NSHDSACASA-N 1 1 312.801 1.919 10 0 DDAEMO CSC[C@H](O)CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000187878296 407903434 /nfs/dbraw/zinc/90/34/34/407903434.db2.gz LLTVTDIRLKIJTB-HZPDHXFCSA-N 1 1 310.463 1.062 10 0 DDAEMO CC[C@@H](CSC)NC(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000179980058 407845873 /nfs/dbraw/zinc/84/58/73/407845873.db2.gz KWERRJXGBGWHPU-KBPBESRZSA-N 1 1 317.499 1.880 10 0 DDAEMO C[C@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)[C@H](C(N)=O)C1 ZINC000187387819 407851808 /nfs/dbraw/zinc/85/18/08/407851808.db2.gz NUNDMVJOSZYMRJ-BPUTZDHNSA-N 1 1 306.406 1.150 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000119041100 407982678 /nfs/dbraw/zinc/98/26/78/407982678.db2.gz XRNPIAJYHWHRDG-GFCCVEGCSA-N 1 1 312.360 1.686 10 0 DDAEMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000153883878 407924268 /nfs/dbraw/zinc/92/42/68/407924268.db2.gz WMAILASDQYRHKF-AWEZNQCLSA-N 1 1 322.405 1.813 10 0 DDAEMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000153883878 407924275 /nfs/dbraw/zinc/92/42/75/407924275.db2.gz WMAILASDQYRHKF-AWEZNQCLSA-N 1 1 322.405 1.813 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000119041100 407982669 /nfs/dbraw/zinc/98/26/69/407982669.db2.gz XRNPIAJYHWHRDG-GFCCVEGCSA-N 1 1 312.360 1.686 10 0 DDAEMO CCOCC[N@H+]1CCN(CCO[C@@H]2CCCCO2)C[C@H]1CC ZINC000181689351 408026209 /nfs/dbraw/zinc/02/62/09/408026209.db2.gz MUIOAJYEWCCPHV-IAGOWNOFSA-N 1 1 314.470 1.962 10 0 DDAEMO CCOCCN1CC[N@@H+](CCO[C@@H]2CCCCO2)C[C@H]1CC ZINC000181689351 408026222 /nfs/dbraw/zinc/02/62/22/408026222.db2.gz MUIOAJYEWCCPHV-IAGOWNOFSA-N 1 1 314.470 1.962 10 0 DDAEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000175040623 408036196 /nfs/dbraw/zinc/03/61/96/408036196.db2.gz SPGIPHLANNGNBI-HNNXBMFYSA-N 1 1 307.442 1.565 10 0 DDAEMO C[C@@H]1CC[C@H](CCC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)O1 ZINC000174733004 407983742 /nfs/dbraw/zinc/98/37/42/407983742.db2.gz RKXPIKKRESTHPP-ZJIFWQFVSA-N 1 1 310.438 1.513 10 0 DDAEMO Cn1cc([C@H]2CC[N@H+](Cc3nnc(C4CCC4)n3C)C2)cn1 ZINC000181346537 407986934 /nfs/dbraw/zinc/98/69/34/407986934.db2.gz CZIUECJPZDIMCJ-ZDUSSCGKSA-N 1 1 300.410 1.806 10 0 DDAEMO Cn1cc([C@H]2CC[N@@H+](Cc3nnc(C4CCC4)n3C)C2)cn1 ZINC000181346537 407986942 /nfs/dbraw/zinc/98/69/42/407986942.db2.gz CZIUECJPZDIMCJ-ZDUSSCGKSA-N 1 1 300.410 1.806 10 0 DDAEMO CCCn1nccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000154269807 408005835 /nfs/dbraw/zinc/00/58/35/408005835.db2.gz VGICTELUVDWMLL-ZDUSSCGKSA-N 1 1 321.425 1.174 10 0 DDAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000175148971 408062059 /nfs/dbraw/zinc/06/20/59/408062059.db2.gz JZUFKFFVZUEYSD-CQSZACIVSA-N 1 1 315.377 1.587 10 0 DDAEMO COc1cc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc(OC)c1 ZINC000245773461 408064652 /nfs/dbraw/zinc/06/46/52/408064652.db2.gz SGCHTEWAVPNOPK-KGLIPLIRSA-N 1 1 308.422 1.591 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1c(C)ccn(C)c1=O ZINC000182023212 408065295 /nfs/dbraw/zinc/06/52/95/408065295.db2.gz VJDVFQMKTKEXCT-ZIAGYGMSSA-N 1 1 318.421 1.784 10 0 DDAEMO CCCc1cc(N(C)C[C@H]2CCC[N@H+]2CC)n2ncnc2n1 ZINC000175167230 408066943 /nfs/dbraw/zinc/06/69/43/408066943.db2.gz DOTUXLGIUVBQSW-CQSZACIVSA-N 1 1 302.426 1.997 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1C ZINC000245813204 408071708 /nfs/dbraw/zinc/07/17/08/408071708.db2.gz ZQWVCDVHJWAIQE-CABCVRRESA-N 1 1 314.433 1.964 10 0 DDAEMO Cc1nc(C[C@H]2CCC[N@@H+](C[C@@H](O)COC(C)(C)C)C2)no1 ZINC000245839857 408075334 /nfs/dbraw/zinc/07/53/34/408075334.db2.gz FOXDNOSIJDRVJZ-ZIAGYGMSSA-N 1 1 311.426 1.809 10 0 DDAEMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)NC1(c2ccccc2)CCC1 ZINC000245935035 408106287 /nfs/dbraw/zinc/10/62/87/408106287.db2.gz RTRGSPMFHGPDJS-KRWDZBQOSA-N 1 1 313.445 1.962 10 0 DDAEMO Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263319176 408106737 /nfs/dbraw/zinc/10/67/37/408106737.db2.gz ZZGGQUKGHVAYDP-GFCCVEGCSA-N 1 1 312.364 1.198 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000245991436 408116976 /nfs/dbraw/zinc/11/69/76/408116976.db2.gz DGGQYIXKJXTLMC-KGLIPLIRSA-N 1 1 318.425 1.633 10 0 DDAEMO CCC(CC)N1C[C@@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000246041453 408126934 /nfs/dbraw/zinc/12/69/34/408126934.db2.gz RSIAYJMNCIHBNH-ZFWWWQNUSA-N 1 1 307.438 1.330 10 0 DDAEMO Cc1ccc(N2CCC[N@H+]([C@H](C)CN3CCOCC3)CC2)nn1 ZINC000246100542 408140658 /nfs/dbraw/zinc/14/06/58/408140658.db2.gz OPTDBJMZRIDLGV-MRXNPFEDSA-N 1 1 319.453 1.018 10 0 DDAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCc1cccnc1 ZINC000246118966 408148338 /nfs/dbraw/zinc/14/83/38/408148338.db2.gz IFWYDROHFKCMHZ-HOTGVXAUSA-N 1 1 302.422 1.892 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000190062465 408156155 /nfs/dbraw/zinc/15/61/55/408156155.db2.gz IBCYLRHOCUMZHF-KGLIPLIRSA-N 1 1 311.470 1.870 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(O)cc2O)C[C@@H]1CC ZINC000182460105 408169591 /nfs/dbraw/zinc/16/95/91/408169591.db2.gz MUPSFKRFHHHSER-ZDUSSCGKSA-N 1 1 322.405 1.671 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(O)cc2O)C[C@@H]1CC ZINC000182460105 408169597 /nfs/dbraw/zinc/16/95/97/408169597.db2.gz MUPSFKRFHHHSER-ZDUSSCGKSA-N 1 1 322.405 1.671 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)CCCCc2c[nH]nn2)C[C@H]1C ZINC000139357683 408169988 /nfs/dbraw/zinc/16/99/88/408169988.db2.gz BTCLKMGCWPUEBZ-CQSZACIVSA-N 1 1 323.441 1.087 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)CCCCc2c[nH]nn2)C[C@H]1C ZINC000139357683 408169992 /nfs/dbraw/zinc/16/99/92/408169992.db2.gz BTCLKMGCWPUEBZ-CQSZACIVSA-N 1 1 323.441 1.087 10 0 DDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000246191255 408171010 /nfs/dbraw/zinc/17/10/10/408171010.db2.gz OAWRDYCIBRAJFK-IINYFYTJSA-N 1 1 318.389 1.972 10 0 DDAEMO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121588657 408235338 /nfs/dbraw/zinc/23/53/38/408235338.db2.gz XEWDXELWSVDVBK-STQMWFEESA-N 1 1 322.457 1.705 10 0 DDAEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121588465 408235890 /nfs/dbraw/zinc/23/58/90/408235890.db2.gz XEWDXELWSVDVBK-OLZOCXBDSA-N 1 1 322.457 1.705 10 0 DDAEMO CCOC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000183072302 408319261 /nfs/dbraw/zinc/31/92/61/408319261.db2.gz UOHPKBVSHDSYNB-CYBMUJFWSA-N 1 1 323.393 1.539 10 0 DDAEMO C[C@H]([NH2+]Cc1ncn(C)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156824023 408275412 /nfs/dbraw/zinc/27/54/12/408275412.db2.gz SYSNWKMCUWOENL-STQMWFEESA-N 1 1 323.441 1.940 10 0 DDAEMO Cc1noc(CCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000176078215 408283095 /nfs/dbraw/zinc/28/30/95/408283095.db2.gz UBRTZLYHNMWMHL-CYBMUJFWSA-N 1 1 318.381 1.300 10 0 DDAEMO COC[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190579943 408283918 /nfs/dbraw/zinc/28/39/18/408283918.db2.gz HVUNTTQHQXXUDN-GOEBONIOSA-N 1 1 305.422 1.644 10 0 DDAEMO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000246533523 408285910 /nfs/dbraw/zinc/28/59/10/408285910.db2.gz WRRNDMDCERGCHG-HOTGVXAUSA-N 1 1 308.470 1.598 10 0 DDAEMO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000246533523 408285915 /nfs/dbraw/zinc/28/59/15/408285915.db2.gz WRRNDMDCERGCHG-HOTGVXAUSA-N 1 1 308.470 1.598 10 0 DDAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1ccccc1O ZINC000246768321 408336892 /nfs/dbraw/zinc/33/68/92/408336892.db2.gz YQHSXDPRYCRYDF-KBPBESRZSA-N 1 1 304.390 1.856 10 0 DDAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@@H]1C ZINC000246778615 408338445 /nfs/dbraw/zinc/33/84/45/408338445.db2.gz PWHNDQKJAUVBDL-RYUDHWBXSA-N 1 1 308.426 1.234 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@@H]1C ZINC000246778615 408338452 /nfs/dbraw/zinc/33/84/52/408338452.db2.gz PWHNDQKJAUVBDL-RYUDHWBXSA-N 1 1 308.426 1.234 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000246835013 408350801 /nfs/dbraw/zinc/35/08/01/408350801.db2.gz UCTPLLBKMOQIEW-DOMZBBRYSA-N 1 1 319.380 1.137 10 0 DDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCNC(=O)C(C)(C)C)C1 ZINC000246805947 408344112 /nfs/dbraw/zinc/34/41/12/408344112.db2.gz DEFOOLGQXNFISF-QWHCGFSZSA-N 1 1 312.458 1.177 10 0 DDAEMO COC(=O)c1ccc(CCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171930136 162247868 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DDAEMO CSC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000187911177 407904889 /nfs/dbraw/zinc/90/48/89/407904889.db2.gz PXUQQHYHJVUMMW-RYUDHWBXSA-N 1 1 304.456 1.699 10 0 DDAEMO C[C@@H](C(=O)N1CC(NC(=O)C2CCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000188526325 407953316 /nfs/dbraw/zinc/95/33/16/407953316.db2.gz GBGGGVLQWYXNGN-XQQFMLRXSA-N 1 1 307.438 1.375 10 0 DDAEMO CC[C@@H]1CN(C(=O)CCCc2nc(C)no2)CC[N@H+]1C[C@@H](C)O ZINC000174622824 407970665 /nfs/dbraw/zinc/97/06/65/407970665.db2.gz JIQXHXCSYCZRBB-TZMCWYRMSA-N 1 1 324.425 1.004 10 0 DDAEMO COC[C@H](C)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188169311 407922161 /nfs/dbraw/zinc/92/21/61/407922161.db2.gz UTWGSMQVGGTCCC-MAUKXSAKSA-N 1 1 320.433 1.364 10 0 DDAEMO Cc1ccccc1C1(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000174333600 407934509 /nfs/dbraw/zinc/93/45/09/407934509.db2.gz RUDIWIGEZSFFKC-JKSUJKDBSA-N 1 1 316.445 1.940 10 0 DDAEMO Cc1ccccc1C1(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000174333600 407934511 /nfs/dbraw/zinc/93/45/11/407934511.db2.gz RUDIWIGEZSFFKC-JKSUJKDBSA-N 1 1 316.445 1.940 10 0 DDAEMO CO[C@H](C)c1nc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cs1 ZINC000245454692 407986240 /nfs/dbraw/zinc/98/62/40/407986240.db2.gz ADYLXRKHYFSSNO-RWMBFGLXSA-N 1 1 313.467 1.737 10 0 DDAEMO Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000174784982 407991953 /nfs/dbraw/zinc/99/19/53/407991953.db2.gz VZRRJFRJEVNIBL-IRXDYDNUSA-N 1 1 301.390 1.626 10 0 DDAEMO Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000174784982 407991961 /nfs/dbraw/zinc/99/19/61/407991961.db2.gz VZRRJFRJEVNIBL-IRXDYDNUSA-N 1 1 301.390 1.626 10 0 DDAEMO Cc1cnn(C[C@@H]2C[N@H+](C[C@H](O)c3ccc(C)cc3)CCO2)c1 ZINC000174785122 407992302 /nfs/dbraw/zinc/99/23/02/407992302.db2.gz UNFBMWUNAAOYRH-ROUUACIJSA-N 1 1 315.417 1.934 10 0 DDAEMO Cc1cnn(C[C@@H]2C[N@@H+](C[C@H](O)c3ccc(C)cc3)CCO2)c1 ZINC000174785122 407992309 /nfs/dbraw/zinc/99/23/09/407992309.db2.gz UNFBMWUNAAOYRH-ROUUACIJSA-N 1 1 315.417 1.934 10 0 DDAEMO C[C@@H](CCO)[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCCC1=O ZINC000245534090 408009248 /nfs/dbraw/zinc/00/92/48/408009248.db2.gz JHRWUQFUGLJEKB-RDJZCZTQSA-N 1 1 320.433 1.243 10 0 DDAEMO C[C@@H]1C[N@@H+](Cc2cccc3c2OCO3)C[C@H]1N1CCOCC1 ZINC000245764093 408064672 /nfs/dbraw/zinc/06/46/72/408064672.db2.gz QIQZVTDBZDUYET-UKRRQHHQSA-N 1 1 304.390 1.568 10 0 DDAEMO Cc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c(-c2cnn(C)c2)c1 ZINC000263232506 408068814 /nfs/dbraw/zinc/06/88/14/408068814.db2.gz NOSYTYNCRGXKBQ-PBHICJAKSA-N 1 1 300.406 1.065 10 0 DDAEMO CCCn1nccc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000154921576 408102636 /nfs/dbraw/zinc/10/26/36/408102636.db2.gz VULQPNFZMSRQGC-STQMWFEESA-N 1 1 321.425 1.077 10 0 DDAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@H](C)CN2CCOCC2)C1 ZINC000245962754 408108379 /nfs/dbraw/zinc/10/83/79/408108379.db2.gz DPDWPBQVLJJLKO-CVEARBPZSA-N 1 1 306.454 1.803 10 0 DDAEMO COCC[N@@H+]1CCN([C@H]2CCN(c3ccccc3)C2=O)C[C@H]1C ZINC000246035059 408124580 /nfs/dbraw/zinc/12/45/80/408124580.db2.gz PYIFQCYZYIDBED-WBVHZDCISA-N 1 1 317.433 1.444 10 0 DDAEMO COCC[N@H+]1CCN([C@H]2CCN(c3ccccc3)C2=O)C[C@H]1C ZINC000246035059 408124584 /nfs/dbraw/zinc/12/45/84/408124584.db2.gz PYIFQCYZYIDBED-WBVHZDCISA-N 1 1 317.433 1.444 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)N[C@H]2CCOC(C)(C)C2)C[C@H]1C ZINC000246090282 408139403 /nfs/dbraw/zinc/13/94/03/408139403.db2.gz CJSSTAIVRDGQDB-KGLIPLIRSA-N 1 1 313.442 1.306 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)N[C@H]2CCOC(C)(C)C2)C[C@H]1C ZINC000246090282 408139411 /nfs/dbraw/zinc/13/94/11/408139411.db2.gz CJSSTAIVRDGQDB-KGLIPLIRSA-N 1 1 313.442 1.306 10 0 DDAEMO CN(C)n1c(N)[nH+]c2cc(I)ccc21 ZINC000148736810 408188993 /nfs/dbraw/zinc/18/89/93/408188993.db2.gz KLIZHMSLALSVID-UHFFFAOYSA-N 1 1 302.119 1.421 10 0 DDAEMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000246423603 408253463 /nfs/dbraw/zinc/25/34/63/408253463.db2.gz MHTWRSBEGCHWBU-IXDOHACOSA-N 1 1 322.497 1.987 10 0 DDAEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000246423603 408253467 /nfs/dbraw/zinc/25/34/67/408253467.db2.gz MHTWRSBEGCHWBU-IXDOHACOSA-N 1 1 322.497 1.987 10 0 DDAEMO CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000175776878 408205426 /nfs/dbraw/zinc/20/54/26/408205426.db2.gz REKVOBVVGCIYPL-HNNXBMFYSA-N 1 1 307.442 1.999 10 0 DDAEMO CSCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000175795703 408208734 /nfs/dbraw/zinc/20/87/34/408208734.db2.gz BTGPNHPGGDTWNN-KBPBESRZSA-N 1 1 315.483 1.492 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000246312818 408214662 /nfs/dbraw/zinc/21/46/62/408214662.db2.gz DYZWMBGXXFFMSZ-IUODEOHRSA-N 1 1 321.396 1.400 10 0 DDAEMO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1N1CCOCC1 ZINC000246315044 408216850 /nfs/dbraw/zinc/21/68/50/408216850.db2.gz CRRZIPNEFHWDDY-GOEBONIOSA-N 1 1 303.406 1.278 10 0 DDAEMO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1N1CCOCC1 ZINC000246315044 408216855 /nfs/dbraw/zinc/21/68/55/408216855.db2.gz CRRZIPNEFHWDDY-GOEBONIOSA-N 1 1 303.406 1.278 10 0 DDAEMO Cc1csc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000246595609 408301774 /nfs/dbraw/zinc/30/17/74/408301774.db2.gz ZETFFLNIKNCYCY-KOLCDFICSA-N 1 1 310.423 1.235 10 0 DDAEMO CCO[C@H](C)c1noc(CN2CC[N@H+](CCOC)[C@@H](C)C2)n1 ZINC000246648900 408310453 /nfs/dbraw/zinc/31/04/53/408310453.db2.gz AHVGZJDDFIKAEB-QWHCGFSZSA-N 1 1 312.414 1.320 10 0 DDAEMO CCO[C@H](C)c1noc(CN2CC[N@@H+](CCOC)[C@@H](C)C2)n1 ZINC000246648900 408310455 /nfs/dbraw/zinc/31/04/55/408310455.db2.gz AHVGZJDDFIKAEB-QWHCGFSZSA-N 1 1 312.414 1.320 10 0 DDAEMO Cc1noc(C)c1[C@H](C)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246658319 408312857 /nfs/dbraw/zinc/31/28/57/408312857.db2.gz HCBJADMCUQCONT-WOPDTQHZSA-N 1 1 309.410 1.308 10 0 DDAEMO Cc1noc(C)c1[C@H](C)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246658319 408312862 /nfs/dbraw/zinc/31/28/62/408312862.db2.gz HCBJADMCUQCONT-WOPDTQHZSA-N 1 1 309.410 1.308 10 0 DDAEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCn3ccnc3)C2)n1 ZINC000183175894 408344647 /nfs/dbraw/zinc/34/46/47/408344647.db2.gz GETOMBSYKNZKPD-MRXNPFEDSA-N 1 1 302.426 1.894 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2ncccc2OCC)C[C@@H]1C ZINC000176418510 408359899 /nfs/dbraw/zinc/35/98/99/408359899.db2.gz YKDNPTZPBAQXNU-AWEZNQCLSA-N 1 1 321.421 1.663 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2ncccc2OCC)C[C@@H]1C ZINC000176418510 408359905 /nfs/dbraw/zinc/35/99/05/408359905.db2.gz YKDNPTZPBAQXNU-AWEZNQCLSA-N 1 1 321.421 1.663 10 0 DDAEMO CC(C)N1CCO[C@H](CN2CC[NH+]([C@H]3C=CCCC3)CC2)C1 ZINC000171746255 162239910 /nfs/dbraw/zinc/23/99/10/162239910.db2.gz OVOCKYIMYVNKMM-ZWKOTPCHSA-N 1 1 307.482 1.822 10 0 DDAEMO Cn1cc([C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cn3)C2)cn1 ZINC000172051402 162255549 /nfs/dbraw/zinc/25/55/49/162255549.db2.gz NEXPKYSOFKTXAD-NSHDSACASA-N 1 1 319.796 1.897 10 0 DDAEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)C2)cn1 ZINC000172051402 162255551 /nfs/dbraw/zinc/25/55/51/162255551.db2.gz NEXPKYSOFKTXAD-NSHDSACASA-N 1 1 319.796 1.897 10 0 DDAEMO CCOCC[N@H+]1CCN(Cc2cccc(C(=O)NC)c2)C[C@H]1C ZINC000247001778 408385398 /nfs/dbraw/zinc/38/53/98/408385398.db2.gz OZOHVOXPJMMUNI-OAHLLOKOSA-N 1 1 319.449 1.589 10 0 DDAEMO CCc1nccn1[C@H]1CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000173698417 162358617 /nfs/dbraw/zinc/35/86/17/162358617.db2.gz KDXIJRAJFYXENJ-INIZCTEOSA-N 1 1 306.454 1.805 10 0 DDAEMO COc1ccccc1CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173880822 162372874 /nfs/dbraw/zinc/37/28/74/162372874.db2.gz QTYJGBYSEUACDO-HOCLYGCPSA-N 1 1 318.417 1.417 10 0 DDAEMO O=C(CC[N@H+]1CC[C@@H](N2CCOCC2)C1)Nc1cccc(F)c1 ZINC000173940876 162380165 /nfs/dbraw/zinc/38/01/65/162380165.db2.gz IEXVOGDMLBQYMF-MRXNPFEDSA-N 1 1 321.396 1.561 10 0 DDAEMO Cc1ccc2nc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)cn2c1 ZINC000173941771 162380889 /nfs/dbraw/zinc/38/08/89/162380889.db2.gz DLGWMJGFAMUJJG-INIZCTEOSA-N 1 1 300.406 1.549 10 0 DDAEMO Cc1ccc2nc(C[N@H+]3CC[C@H](N4CCOCC4)C3)cn2c1 ZINC000173941771 162380893 /nfs/dbraw/zinc/38/08/93/162380893.db2.gz DLGWMJGFAMUJJG-INIZCTEOSA-N 1 1 300.406 1.549 10 0 DDAEMO C[C@@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)[N@@H+](C)C1CC1 ZINC000159110135 408383279 /nfs/dbraw/zinc/38/32/79/408383279.db2.gz UQUDIMHXKZBXGF-LBPRGKRZSA-N 1 1 305.426 1.781 10 0 DDAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000176842634 408458463 /nfs/dbraw/zinc/45/84/63/408458463.db2.gz BXTWLFMORDXXBH-ZFWWWQNUSA-N 1 1 318.421 1.653 10 0 DDAEMO COCc1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247070017 408400083 /nfs/dbraw/zinc/40/00/83/408400083.db2.gz HMRAXVGWYCJMMR-HIFRSBDPSA-N 1 1 324.446 1.690 10 0 DDAEMO CC(C)c1nnc(CCC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)o1 ZINC000176671661 408416243 /nfs/dbraw/zinc/41/62/43/408416243.db2.gz ITCLPNSDVUFRLJ-CYBMUJFWSA-N 1 1 306.410 1.822 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)COCc1ccccc1F ZINC000247166731 408420235 /nfs/dbraw/zinc/42/02/35/408420235.db2.gz KPBDYYIZFUPIET-PVAVHDDUSA-N 1 1 322.424 1.872 10 0 DDAEMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)N1CCSc2ccccc21 ZINC000247164797 408420969 /nfs/dbraw/zinc/42/09/69/408420969.db2.gz MMMPJDQWKLKWGF-AWEZNQCLSA-N 1 1 317.458 1.905 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc(N(C)C)n2)C1 ZINC000247222494 408430094 /nfs/dbraw/zinc/43/00/94/408430094.db2.gz ZBWXXJSQJCFBPP-UKRRQHHQSA-N 1 1 319.453 1.676 10 0 DDAEMO COc1ccc(CNC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000247214386 408430744 /nfs/dbraw/zinc/43/07/44/408430744.db2.gz MCYBHYNCDYMTAF-HOCLYGCPSA-N 1 1 317.433 1.480 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)c2c(C)noc2C)C[C@H]1C ZINC000247246059 408435437 /nfs/dbraw/zinc/43/54/37/408435437.db2.gz XHUIMHXGOKKJLR-CHWSQXEVSA-N 1 1 323.437 1.964 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)c2c(C)noc2C)C[C@H]1C ZINC000247246059 408435441 /nfs/dbraw/zinc/43/54/41/408435441.db2.gz XHUIMHXGOKKJLR-CHWSQXEVSA-N 1 1 323.437 1.964 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](O)COc1ccccc1F ZINC000247255599 408439880 /nfs/dbraw/zinc/43/98/80/408439880.db2.gz NSUQZEHFIRCUSO-RBSFLKMASA-N 1 1 308.397 1.734 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCSc1n[nH]c(C)n1 ZINC000176984109 408490285 /nfs/dbraw/zinc/49/02/85/408490285.db2.gz IDSMQGVLFZDBHG-LBPRGKRZSA-N 1 1 311.455 1.538 10 0 DDAEMO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCSc1nnc(C)[nH]1 ZINC000176984109 408490288 /nfs/dbraw/zinc/49/02/88/408490288.db2.gz IDSMQGVLFZDBHG-LBPRGKRZSA-N 1 1 311.455 1.538 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCSc1nnc(C)[nH]1 ZINC000176984109 408490291 /nfs/dbraw/zinc/49/02/91/408490291.db2.gz IDSMQGVLFZDBHG-LBPRGKRZSA-N 1 1 311.455 1.538 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1ccccc1 ZINC000247550033 408491165 /nfs/dbraw/zinc/49/11/65/408491165.db2.gz ZELUDRVHOSPPIM-CABCVRRESA-N 1 1 308.447 1.629 10 0 DDAEMO CC(=O)N1CCC(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247553482 408491570 /nfs/dbraw/zinc/49/15/70/408491570.db2.gz ZMCIVDZAWKHKBR-CJNGLKHVSA-N 1 1 322.453 1.123 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000191791544 408494030 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CN1CC[N@@H+](C)C[C@H]1c1noc(-c2ccc(Cl)cc2N)n1 ZINC000093892695 193323548 /nfs/dbraw/zinc/32/35/48/193323548.db2.gz LMNKGILMIHLMKI-LBPRGKRZSA-N 1 1 307.785 1.891 10 0 DDAEMO CS(=O)(=O)[C@H]1CCC[C@@H]([N@@H+](CC(N)=S)C2CCCC2)C1 ZINC000094636677 193387366 /nfs/dbraw/zinc/38/73/66/193387366.db2.gz KXHYMXHBZLZHHL-OLZOCXBDSA-N 1 1 318.508 1.873 10 0 DDAEMO NNc1ccc(Cl)c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000094444650 193369552 /nfs/dbraw/zinc/36/95/52/193369552.db2.gz QQAVUSTYQMHGMA-JTQLQIEISA-N 1 1 309.801 1.331 10 0 DDAEMO NNc1ccc(Cl)c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000094444650 193369554 /nfs/dbraw/zinc/36/95/54/193369554.db2.gz QQAVUSTYQMHGMA-JTQLQIEISA-N 1 1 309.801 1.331 10 0 DDAEMO Cc1c(N)cccc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094457283 193370889 /nfs/dbraw/zinc/37/08/89/193370889.db2.gz GGBCUEFTGGWRQI-WCQYABFASA-N 1 1 309.435 1.434 10 0 DDAEMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000636281930 422774906 /nfs/dbraw/zinc/77/49/06/422774906.db2.gz CZGBQKPPPSIVIL-SQCNAZHOSA-N 1 1 318.421 1.271 10 0 DDAEMO COCC[N@H+]1CCC[C@]2(CCN(Cc3cnn(C)c3C)C2)C1 ZINC000019299794 182113659 /nfs/dbraw/zinc/11/36/59/182113659.db2.gz ORELIGGPVYBVFF-KRWDZBQOSA-N 1 1 306.454 1.663 10 0 DDAEMO NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000020567448 182233148 /nfs/dbraw/zinc/23/31/48/182233148.db2.gz RAOQEOPDTRRJBJ-VIFPVBQESA-N 1 1 310.785 1.058 10 0 DDAEMO NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000020567448 182233150 /nfs/dbraw/zinc/23/31/50/182233150.db2.gz RAOQEOPDTRRJBJ-VIFPVBQESA-N 1 1 310.785 1.058 10 0 DDAEMO CCc1nsc(N2CCC[N@@H+]([C@H]3COC[C@@H]3OC)CC2)n1 ZINC000333531889 249013529 /nfs/dbraw/zinc/01/35/29/249013529.db2.gz JFZMIQYTYGELSU-RYUDHWBXSA-N 1 1 312.439 1.026 10 0 DDAEMO CCc1nsc(N2CCC[N@H+]([C@H]3COC[C@@H]3OC)CC2)n1 ZINC000333531889 249013531 /nfs/dbraw/zinc/01/35/31/249013531.db2.gz JFZMIQYTYGELSU-RYUDHWBXSA-N 1 1 312.439 1.026 10 0 DDAEMO CC(=O)NCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000041309098 183184810 /nfs/dbraw/zinc/18/48/10/183184810.db2.gz CSYXUDORDMVTDT-AWEZNQCLSA-N 1 1 311.813 1.585 10 0 DDAEMO CC(=O)NCCC(=O)N1C[C@H]2CCC[N@@H+]2[C@@H]1c1ccccc1 ZINC000041316773 183185031 /nfs/dbraw/zinc/18/50/31/183185031.db2.gz IHEFWJPAKREXPF-WBVHZDCISA-N 1 1 301.390 1.518 10 0 DDAEMO CC(=O)NCCC(=O)N1C[C@H]2CCC[N@H+]2[C@@H]1c1ccccc1 ZINC000041316773 183185034 /nfs/dbraw/zinc/18/50/34/183185034.db2.gz IHEFWJPAKREXPF-WBVHZDCISA-N 1 1 301.390 1.518 10 0 DDAEMO CCC[N@H+](CCN(C)C)C[C@](C)(NC(C)C)C(=O)OCC ZINC000041674818 183215474 /nfs/dbraw/zinc/21/54/74/183215474.db2.gz UIGHAARSWSSTLC-INIZCTEOSA-N 1 1 301.475 1.580 10 0 DDAEMO CCC[N@@H+](CCN(C)C)C[C@](C)(NC(C)C)C(=O)OCC ZINC000041674818 183215475 /nfs/dbraw/zinc/21/54/75/183215475.db2.gz UIGHAARSWSSTLC-INIZCTEOSA-N 1 1 301.475 1.580 10 0 DDAEMO CC(C)[N@@H+](C)CCCCNS(=O)(=O)c1ccccc1NN ZINC000041681769 183217202 /nfs/dbraw/zinc/21/72/02/183217202.db2.gz AFPFQTWHSCMWED-UHFFFAOYSA-N 1 1 314.455 1.371 10 0 DDAEMO NC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccc(C(N)=S)cc1 ZINC000042405040 183265029 /nfs/dbraw/zinc/26/50/29/183265029.db2.gz BYLQKHVGFLMULK-CYBMUJFWSA-N 1 1 307.419 1.039 10 0 DDAEMO NC(=O)[C@H]1CCCC[N@H+]1CCOc1ccc(C(N)=S)cc1 ZINC000042405040 183265031 /nfs/dbraw/zinc/26/50/31/183265031.db2.gz BYLQKHVGFLMULK-CYBMUJFWSA-N 1 1 307.419 1.039 10 0 DDAEMO CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000104861350 194047439 /nfs/dbraw/zinc/04/74/39/194047439.db2.gz QNHUWAVTRDIXBD-OLZOCXBDSA-N 1 1 313.442 1.890 10 0 DDAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000284622952 218103677 /nfs/dbraw/zinc/10/36/77/218103677.db2.gz RVPKUTDUDGCGRM-DLBZAZTESA-N 1 1 301.390 1.762 10 0 DDAEMO COc1cccc(OCC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c1 ZINC000284666957 218123699 /nfs/dbraw/zinc/12/36/99/218123699.db2.gz OIFPQMBASWPNMI-BBRMVZONSA-N 1 1 322.405 1.252 10 0 DDAEMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000284740351 218158069 /nfs/dbraw/zinc/15/80/69/218158069.db2.gz UTCWGHHMHFTDSS-YESZJQIVSA-N 1 1 318.417 1.801 10 0 DDAEMO COc1ccc(OCCCN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000105822447 194137106 /nfs/dbraw/zinc/13/71/06/194137106.db2.gz PDCJSOJFPFGDQV-HZPDHXFCSA-N 1 1 322.449 1.851 10 0 DDAEMO COc1ccc(OCCC[N@@H+]2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000105822447 194137108 /nfs/dbraw/zinc/13/71/08/194137108.db2.gz PDCJSOJFPFGDQV-HZPDHXFCSA-N 1 1 322.449 1.851 10 0 DDAEMO COc1ccc(OCCC[N@H+]2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000105822447 194137110 /nfs/dbraw/zinc/13/71/10/194137110.db2.gz PDCJSOJFPFGDQV-HZPDHXFCSA-N 1 1 322.449 1.851 10 0 DDAEMO CCC[C@H](C)NC(=O)[C@@H](C)N1CC[N@H+](CCOCC)[C@H](C)C1 ZINC000105835222 194141258 /nfs/dbraw/zinc/14/12/58/194141258.db2.gz ACOVIBJRQHLBOO-ARFHVFGLSA-N 1 1 313.486 1.722 10 0 DDAEMO CCC[C@H](C)NC(=O)[C@@H](C)N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000105835222 194141261 /nfs/dbraw/zinc/14/12/61/194141261.db2.gz ACOVIBJRQHLBOO-ARFHVFGLSA-N 1 1 313.486 1.722 10 0 DDAEMO COCC[N@H+]1CCN(C[C@H](O)c2cc(F)ccc2F)C[C@H]1C ZINC000105833826 194141337 /nfs/dbraw/zinc/14/13/37/194141337.db2.gz MJEBBAWUAWRSLX-WBMJQRKESA-N 1 1 314.376 1.651 10 0 DDAEMO CCOCC[N@@H+]1CCN(CC(=O)N(C(C)C)C(C)C)C[C@@H]1C ZINC000105834544 194141682 /nfs/dbraw/zinc/14/16/82/194141682.db2.gz KNHSMWPNSCBZKM-INIZCTEOSA-N 1 1 313.486 1.674 10 0 DDAEMO CCOCC[N@H+]1CCN(CC(=O)N(C(C)C)C(C)C)C[C@@H]1C ZINC000105834544 194141683 /nfs/dbraw/zinc/14/16/83/194141683.db2.gz KNHSMWPNSCBZKM-INIZCTEOSA-N 1 1 313.486 1.674 10 0 DDAEMO CCOCC[N@@H+]1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@@H]1C ZINC000105835191 194142948 /nfs/dbraw/zinc/14/29/48/194142948.db2.gz NTBGJQIHVHDCFS-AWEZNQCLSA-N 1 1 323.481 1.334 10 0 DDAEMO CCOCC[N@H+]1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@@H]1C ZINC000105835191 194142951 /nfs/dbraw/zinc/14/29/51/194142951.db2.gz NTBGJQIHVHDCFS-AWEZNQCLSA-N 1 1 323.481 1.334 10 0 DDAEMO COCC[N@@H+]1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@H]1C ZINC000105832851 194143167 /nfs/dbraw/zinc/14/31/67/194143167.db2.gz UXPSYCBZCNDGAG-OWCLPIDISA-N 1 1 311.470 1.428 10 0 DDAEMO COCC[N@H+]1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@H]1C ZINC000105832851 194143170 /nfs/dbraw/zinc/14/31/70/194143170.db2.gz UXPSYCBZCNDGAG-OWCLPIDISA-N 1 1 311.470 1.428 10 0 DDAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(C)nn2C)C1 ZINC000105852658 194146512 /nfs/dbraw/zinc/14/65/12/194146512.db2.gz PQYLRBZZGZVECR-CYBMUJFWSA-N 1 1 301.394 1.965 10 0 DDAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000105894869 194160125 /nfs/dbraw/zinc/16/01/25/194160125.db2.gz YHVZENWIYTVSAO-AWEZNQCLSA-N 1 1 306.410 1.033 10 0 DDAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC000105894869 194160126 /nfs/dbraw/zinc/16/01/26/194160126.db2.gz YHVZENWIYTVSAO-AWEZNQCLSA-N 1 1 306.410 1.033 10 0 DDAEMO COc1ccccc1C(=O)N1CC[NH+]([C@@H](C)C(N)=S)CC1 ZINC000109457227 194264864 /nfs/dbraw/zinc/26/48/64/194264864.db2.gz RSAQDXICNBTZOC-NSHDSACASA-N 1 1 307.419 1.128 10 0 DDAEMO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C)C(N)=S)CC2)c1C ZINC000109458044 194266207 /nfs/dbraw/zinc/26/62/07/194266207.db2.gz SZUBVODFEOJPLK-ZDUSSCGKSA-N 1 1 305.447 1.736 10 0 DDAEMO COC(=O)CC[NH+]1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000066155770 184393678 /nfs/dbraw/zinc/39/36/78/184393678.db2.gz CCCQYMMCDYIYBR-UHFFFAOYSA-N 1 1 314.817 1.063 10 0 DDAEMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@H]1O ZINC000352702337 285239476 /nfs/dbraw/zinc/23/94/76/285239476.db2.gz XKPGHPVNXYKJPM-LSDHHAIUSA-N 1 1 302.374 1.518 10 0 DDAEMO O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O1 ZINC000096043056 256554509 /nfs/dbraw/zinc/55/45/09/256554509.db2.gz RJLUFNOJLNEBQB-MELADBBJSA-N 1 1 302.378 1.305 10 0 DDAEMO Cc1noc(C)c1C[N@H+]1CC[C@@H]2C[C@@H](C(=O)NC(C)C)O[C@@H]2C1 ZINC000253376019 257106671 /nfs/dbraw/zinc/10/66/71/257106671.db2.gz RTRSCBPDOGXPNO-VNQPRFMTSA-N 1 1 321.421 1.795 10 0 DDAEMO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[C@@H](C(=O)NC(C)C)O[C@@H]2C1 ZINC000253376019 257106672 /nfs/dbraw/zinc/10/66/72/257106672.db2.gz RTRSCBPDOGXPNO-VNQPRFMTSA-N 1 1 321.421 1.795 10 0 DDAEMO COCCN1CCN(C(=O)[C@@H]2CCCO2)Cc2ccc(C)[nH+]c21 ZINC000248335757 257107562 /nfs/dbraw/zinc/10/75/62/257107562.db2.gz NIVUQXYSQMOVKP-HNNXBMFYSA-N 1 1 319.405 1.364 10 0 DDAEMO COCCN1CC[C@@H]2C[N@@H+](Cc3ccc(C)s3)C[C@H]2C1=O ZINC000248121280 257108309 /nfs/dbraw/zinc/10/83/09/257108309.db2.gz VKBYDTWXTVVJLI-UKRRQHHQSA-N 1 1 308.447 1.983 10 0 DDAEMO C[NH+](C)CCO[C@@H]1CN(Cc2cccnc2)[C@H]2CCCO[C@@H]12 ZINC000247975061 257113390 /nfs/dbraw/zinc/11/33/90/257113390.db2.gz IGQZFOLUTYTEPY-GVDBMIGSSA-N 1 1 305.422 1.392 10 0 DDAEMO Cc1ccc(N2CCO[C@@H]3C[N@H+](Cc4ccco4)C[C@@H]32)nn1 ZINC000247918177 257115261 /nfs/dbraw/zinc/11/52/61/257115261.db2.gz NCGJIPUKJGFYFZ-LSDHHAIUSA-N 1 1 300.362 1.468 10 0 DDAEMO Cc1ccc(N2CCO[C@@H]3C[N@@H+](Cc4ccco4)C[C@@H]32)nn1 ZINC000247918177 257115263 /nfs/dbraw/zinc/11/52/63/257115263.db2.gz NCGJIPUKJGFYFZ-LSDHHAIUSA-N 1 1 300.362 1.468 10 0 DDAEMO 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COC(=O)c1oc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1C ZINC000246602232 408301238 /nfs/dbraw/zinc/30/12/38/408301238.db2.gz XNADPAAFNKPVAA-HIFRSBDPSA-N 1 1 322.405 1.527 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCCOC ZINC000136124451 162116392 /nfs/dbraw/zinc/11/63/92/162116392.db2.gz UJBNVCCNDCBWID-ZIAGYGMSSA-N 1 1 304.456 1.301 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccccc2Cl)C[C@@H]1C ZINC000246834177 408351192 /nfs/dbraw/zinc/35/11/92/408351192.db2.gz UAELGPWWETVHBE-STQMWFEESA-N 1 1 310.825 1.796 10 0 DDAEMO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(F)c1 ZINC000246810533 408343966 /nfs/dbraw/zinc/34/39/66/408343966.db2.gz CBUVSWWUHJSOFJ-CHWSQXEVSA-N 1 1 312.410 1.991 10 0 DDAEMO CC(=O)NCc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246821538 408346794 /nfs/dbraw/zinc/34/67/94/408346794.db2.gz CLWUQWXWTMCOJD-DYVFJYSZSA-N 1 1 315.417 1.631 10 0 DDAEMO CCN(CC)C(=O)CCCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171566108 162226002 /nfs/dbraw/zinc/22/60/02/162226002.db2.gz FKBCIRUGPZDCSN-HNNXBMFYSA-N 1 1 309.454 1.722 10 0 DDAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2C)C1 ZINC000173056840 162320785 /nfs/dbraw/zinc/32/07/85/162320785.db2.gz XLQLCQGNBOKJKF-GFCCVEGCSA-N 1 1 300.399 1.897 10 0 DDAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2C)C1 ZINC000173056840 162320786 /nfs/dbraw/zinc/32/07/86/162320786.db2.gz XLQLCQGNBOKJKF-GFCCVEGCSA-N 1 1 300.399 1.897 10 0 DDAEMO O=S(=O)(/C=C/c1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173533051 162347362 /nfs/dbraw/zinc/34/73/62/162347362.db2.gz CBERORJJFPHBEW-WQMJKPAKSA-N 1 1 304.415 1.933 10 0 DDAEMO O[C@H](C[N@H+]1CC[C@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000173903679 162375258 /nfs/dbraw/zinc/37/52/58/162375258.db2.gz UQIXGCYSCKSQOR-JKSUJKDBSA-N 1 1 310.825 1.780 10 0 DDAEMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173983376 162382556 /nfs/dbraw/zinc/38/25/56/162382556.db2.gz SGJMUJUKZQGHRZ-MRXNPFEDSA-N 1 1 303.406 1.340 10 0 DDAEMO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173983376 162382562 /nfs/dbraw/zinc/38/25/62/162382562.db2.gz SGJMUJUKZQGHRZ-MRXNPFEDSA-N 1 1 303.406 1.340 10 0 DDAEMO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173990620 162385481 /nfs/dbraw/zinc/38/54/81/162385481.db2.gz XNYHIJAVGDXUQJ-QGZVFWFLSA-N 1 1 317.433 1.648 10 0 DDAEMO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173990620 162385483 /nfs/dbraw/zinc/38/54/83/162385483.db2.gz XNYHIJAVGDXUQJ-QGZVFWFLSA-N 1 1 317.433 1.648 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCN1C(=O)c2ccccc2C1=O ZINC000246982698 408377791 /nfs/dbraw/zinc/37/77/91/408377791.db2.gz DZBUNHPOUCHCMH-KGLIPLIRSA-N 1 1 313.401 1.451 10 0 DDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2nnc3n2CCCC3)C1 ZINC000247342038 408454629 /nfs/dbraw/zinc/45/46/29/408454629.db2.gz NPDRPVJVIUQSFL-QWHCGFSZSA-N 1 1 320.441 1.142 10 0 DDAEMO Cc1csc2nc(CN3C[C@H]4CCC[N@@H+]4C[C@H]3C)cc(=O)n12 ZINC000247038420 408394133 /nfs/dbraw/zinc/39/41/33/408394133.db2.gz GOCYLXBMFFSBPW-BXUZGUMPSA-N 1 1 318.446 1.733 10 0 DDAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000247079952 408401992 /nfs/dbraw/zinc/40/19/92/408401992.db2.gz ZFQJJSHMAOTXDS-NVXWUHKLSA-N 1 1 320.408 1.673 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000247071867 408402091 /nfs/dbraw/zinc/40/20/91/408402091.db2.gz SFPBENLOQZAGFD-DIOULYMOSA-N 1 1 304.365 1.824 10 0 DDAEMO CC[C@H]1CN([C@H](C)C(=O)NCCC(C)C)CC[N@H+]1CCOC ZINC000247175667 408420207 /nfs/dbraw/zinc/42/02/07/408420207.db2.gz NEMIDDYSMVUDKM-CVEARBPZSA-N 1 1 313.486 1.580 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)OC(C)(C)C ZINC000247170159 408420314 /nfs/dbraw/zinc/42/03/14/408420314.db2.gz REFIKEGPEKNMLT-STQMWFEESA-N 1 1 311.426 1.596 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000247195374 408427193 /nfs/dbraw/zinc/42/71/93/408427193.db2.gz UEZTVOVJUKWPIP-ZFWWWQNUSA-N 1 1 311.389 1.576 10 0 DDAEMO CC[C@@H]1CN(C[C@@H](O)COc2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000247224592 408432557 /nfs/dbraw/zinc/43/25/57/408432557.db2.gz QUKIKMAYUOJERN-BRWVUGGUSA-N 1 1 322.449 1.203 10 0 DDAEMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000248003137 408525223 /nfs/dbraw/zinc/52/52/23/408525223.db2.gz KPHVFIVATCJMFP-JZXOWHBKSA-N 1 1 323.481 1.166 10 0 DDAEMO CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247398210 408464316 /nfs/dbraw/zinc/46/43/16/408464316.db2.gz QWGFDIJJFXTNGD-RFGFWPKPSA-N 1 1 312.458 1.318 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000247440461 408469849 /nfs/dbraw/zinc/46/98/49/408469849.db2.gz ZVCVAMWEOJOCTE-KBPBESRZSA-N 1 1 306.406 1.345 10 0 DDAEMO Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247460484 408475210 /nfs/dbraw/zinc/47/52/10/408475210.db2.gz QUJYOTOOPOXENL-IUODEOHRSA-N 1 1 304.438 1.665 10 0 DDAEMO CCOCC[N@@H+]1CCN(c2nc(COC)ns2)C[C@H]1CC ZINC000176922418 408475274 /nfs/dbraw/zinc/47/52/74/408475274.db2.gz ILNAIZCONMWDLR-GFCCVEGCSA-N 1 1 314.455 1.622 10 0 DDAEMO CCOCC[N@H+]1CCN(c2nc(COC)ns2)C[C@H]1CC ZINC000176922418 408475280 /nfs/dbraw/zinc/47/52/80/408475280.db2.gz ILNAIZCONMWDLR-GFCCVEGCSA-N 1 1 314.455 1.622 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000248451363 408570016 /nfs/dbraw/zinc/57/00/16/408570016.db2.gz JSVZAULUCYVDKQ-WFASDCNBSA-N 1 1 313.401 1.419 10 0 DDAEMO Cc1cccc(F)c1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248469999 408574668 /nfs/dbraw/zinc/57/46/68/408574668.db2.gz HOHMOVCXLHVEHZ-OLZOCXBDSA-N 1 1 312.410 1.991 10 0 DDAEMO O=C(Nc1ccccc1F)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000177389896 408596379 /nfs/dbraw/zinc/59/63/79/408596379.db2.gz UJFJQCUREFOTHH-LBPRGKRZSA-N 1 1 305.353 1.461 10 0 DDAEMO O=C(Nc1ccccc1F)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000177389896 408596381 /nfs/dbraw/zinc/59/63/81/408596381.db2.gz UJFJQCUREFOTHH-LBPRGKRZSA-N 1 1 305.353 1.461 10 0 DDAEMO O=C(Nc1ccc(F)c(F)c1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177387882 408598110 /nfs/dbraw/zinc/59/81/10/408598110.db2.gz AYWUVSOAXLVKJJ-GFCCVEGCSA-N 1 1 323.343 1.600 10 0 DDAEMO O=C(Nc1ccc(F)c(F)c1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177387882 408598115 /nfs/dbraw/zinc/59/81/15/408598115.db2.gz AYWUVSOAXLVKJJ-GFCCVEGCSA-N 1 1 323.343 1.600 10 0 DDAEMO O=C1[C@H]([N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CCN1CC(F)(F)F ZINC000248146864 408540711 /nfs/dbraw/zinc/54/07/11/408540711.db2.gz QHOWAJDFKSIFFP-BZPMIXESSA-N 1 1 320.355 1.777 10 0 DDAEMO O=C1[C@H]([N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CCN1CC(F)(F)F ZINC000248146864 408540716 /nfs/dbraw/zinc/54/07/16/408540716.db2.gz QHOWAJDFKSIFFP-BZPMIXESSA-N 1 1 320.355 1.777 10 0 DDAEMO Cc1cc(N2CC[C@@H](Nc3[nH]c4ccccc4[nH+]3)C2=O)n(C)n1 ZINC000270609821 408603397 /nfs/dbraw/zinc/60/33/97/408603397.db2.gz XZAGFBOYVGKWQJ-CYBMUJFWSA-N 1 1 310.361 1.822 10 0 DDAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccn(C)c1=O ZINC000177551064 408655165 /nfs/dbraw/zinc/65/51/65/408655165.db2.gz MIEYMMBLSOXZDS-QWHCGFSZSA-N 1 1 304.394 1.476 10 0 DDAEMO CCOCC[N@H+]1CCN([C@@H](C)c2nnnn2C2CC2)C[C@H]1C ZINC000248893670 408655659 /nfs/dbraw/zinc/65/56/59/408655659.db2.gz SSNJLVBQASTNFH-OLZOCXBDSA-N 1 1 308.430 1.112 10 0 DDAEMO CO[C@H](C)CS(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000192888284 408664721 /nfs/dbraw/zinc/66/47/21/408664721.db2.gz XBLJHMNBDVSMBR-OCCSQVGLSA-N 1 1 300.424 1.244 10 0 DDAEMO CO[C@@H](C)CS(=O)(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000192888296 408665056 /nfs/dbraw/zinc/66/50/56/408665056.db2.gz XBLJHMNBDVSMBR-GXTWGEPZSA-N 1 1 300.424 1.244 10 0 DDAEMO Cc1ccc(N2CCC[N@H+](CCN3CCO[C@@H](C)C3)CC2)nn1 ZINC000249269642 408708612 /nfs/dbraw/zinc/70/86/12/408708612.db2.gz IXUPOYLCVGVSIC-INIZCTEOSA-N 1 1 319.453 1.018 10 0 DDAEMO CC[C@H]1CN(C(=O)C(C)(C)CCOC)CC[N@@H+]1CCOC ZINC000184907143 408712894 /nfs/dbraw/zinc/71/28/94/408712894.db2.gz HSEWNZVPXZHNER-AWEZNQCLSA-N 1 1 300.443 1.618 10 0 DDAEMO CC[C@H]1CN(C(=O)C(C)(C)CCOC)CC[N@H+]1CCOC ZINC000184907143 408712899 /nfs/dbraw/zinc/71/28/99/408712899.db2.gz HSEWNZVPXZHNER-AWEZNQCLSA-N 1 1 300.443 1.618 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(C)n1 ZINC000193420798 408718095 /nfs/dbraw/zinc/71/80/95/408718095.db2.gz PVGVLPIRCYHWIS-AWEZNQCLSA-N 1 1 318.421 1.580 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193536214 408725728 /nfs/dbraw/zinc/72/57/28/408725728.db2.gz DAJMYSJRGGTUSG-PWSUYJOCSA-N 1 1 324.812 1.518 10 0 DDAEMO O=C(CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCOCC1 ZINC000249543703 408739549 /nfs/dbraw/zinc/73/95/49/408739549.db2.gz FRHAWZIQTYVDQR-GJZGRUSLSA-N 1 1 324.446 1.005 10 0 DDAEMO COCc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000177681035 408682922 /nfs/dbraw/zinc/68/29/22/408682922.db2.gz IKGNHBMCRYKIHA-OAHLLOKOSA-N 1 1 317.389 1.078 10 0 DDAEMO CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c2ccccc2)C1 ZINC000249611596 408750498 /nfs/dbraw/zinc/75/04/98/408750498.db2.gz LSKPNONSLRVWHT-IAGOWNOFSA-N 1 1 317.433 1.854 10 0 DDAEMO COc1cccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)cs2)c1 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/nfs/dbraw/zinc/69/45/62/407694562.db2.gz IGWSZZBTEKPKNF-SNVBAGLBSA-N 1 1 320.422 1.119 10 0 DDAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000262098053 407736951 /nfs/dbraw/zinc/73/69/51/407736951.db2.gz DNFSWPSJSVUKHP-DOMZBBRYSA-N 1 1 304.394 1.387 10 0 DDAEMO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000179171441 407743794 /nfs/dbraw/zinc/74/37/94/407743794.db2.gz ASUJWFHEXSRSGU-CABCVRRESA-N 1 1 313.401 1.289 10 0 DDAEMO OC[C@H]1C[C@H](O)C[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000179171441 407743801 /nfs/dbraw/zinc/74/38/01/407743801.db2.gz ASUJWFHEXSRSGU-CABCVRRESA-N 1 1 313.401 1.289 10 0 DDAEMO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)N1CCc2ccccc21 ZINC000171704091 407744493 /nfs/dbraw/zinc/74/44/93/407744493.db2.gz GQTGUENHTGXLJW-OAHLLOKOSA-N 1 1 311.389 1.504 10 0 DDAEMO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)N1CCc2ccccc21 ZINC000171704091 407744499 /nfs/dbraw/zinc/74/44/99/407744499.db2.gz GQTGUENHTGXLJW-OAHLLOKOSA-N 1 1 311.389 1.504 10 0 DDAEMO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)NCc1ccccc1F ZINC000171703597 407744850 /nfs/dbraw/zinc/74/48/50/407744850.db2.gz ZKOHTQQJGUGFCG-AWEZNQCLSA-N 1 1 317.368 1.371 10 0 DDAEMO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)NCc1ccccc1F ZINC000171703597 407744855 /nfs/dbraw/zinc/74/48/55/407744855.db2.gz ZKOHTQQJGUGFCG-AWEZNQCLSA-N 1 1 317.368 1.371 10 0 DDAEMO CCc1ccc2c(C[N@H+]3C[C@H](O)C[C@@H]3CO)cc(=O)oc2c1 ZINC000179185239 407750651 /nfs/dbraw/zinc/75/06/51/407750651.db2.gz OPKVITLJFAXYRZ-ZIAGYGMSSA-N 1 1 303.358 1.283 10 0 DDAEMO [NH3+]Cc1nc(CN2CCC(OC[C@@H]3CCCCO3)CC2)no1 ZINC000262257746 407774977 /nfs/dbraw/zinc/77/49/77/407774977.db2.gz QUJPGIHRTKJSMP-ZDUSSCGKSA-N 1 1 310.398 1.078 10 0 DDAEMO COC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000262295599 407788853 /nfs/dbraw/zinc/78/88/53/407788853.db2.gz NISNHZZRJLXLKH-YOEHRIQHSA-N 1 1 319.449 1.651 10 0 DDAEMO COC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000262295599 407788858 /nfs/dbraw/zinc/78/88/58/407788858.db2.gz 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ZINC000073402180 191312710 /nfs/dbraw/zinc/31/27/10/191312710.db2.gz GYBCQQWXESVMRW-OAHLLOKOSA-N 1 1 316.449 1.719 10 0 DDAEMO CN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000073402180 191312712 /nfs/dbraw/zinc/31/27/12/191312712.db2.gz GYBCQQWXESVMRW-OAHLLOKOSA-N 1 1 316.449 1.719 10 0 DDAEMO C[C@@H]1CO[C@H](CCc2ccccc2)CN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000074883811 191378889 /nfs/dbraw/zinc/37/88/89/191378889.db2.gz BATZFFIGWRHPCX-BMFZPTHFSA-N 1 1 320.458 1.898 10 0 DDAEMO CN1CC[C@H]([N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C1=O ZINC000248620847 283119738 /nfs/dbraw/zinc/11/97/38/283119738.db2.gz SVDZEZOQUSLWAZ-DGAVXFQQSA-N 1 1 323.437 1.452 10 0 DDAEMO C[C@@H](O)C[N@H+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000179506387 199047242 /nfs/dbraw/zinc/04/72/42/199047242.db2.gz CSQVJMSQKHSJSN-LSDHHAIUSA-N 1 1 314.433 1.964 10 0 DDAEMO C[C@@H](O)C[N@@H+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C[C@@H]1C ZINC000179506387 199047243 /nfs/dbraw/zinc/04/72/43/199047243.db2.gz CSQVJMSQKHSJSN-LSDHHAIUSA-N 1 1 314.433 1.964 10 0 DDAEMO C[C@@H](O)C[N@H+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C[C@@H]1C ZINC000179506387 199047245 /nfs/dbraw/zinc/04/72/45/199047245.db2.gz CSQVJMSQKHSJSN-LSDHHAIUSA-N 1 1 314.433 1.964 10 0 DDAEMO CC[C@@H]1CN(Cc2cccc3nccn32)CC[N@H+]1C[C@@H](C)O ZINC000180085280 199116107 /nfs/dbraw/zinc/11/61/07/199116107.db2.gz HWNDFSJTLNRTMO-HUUCEWRRSA-N 1 1 302.422 1.611 10 0 DDAEMO COC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCCC3)C2=O)cc1 ZINC000006003889 181304812 /nfs/dbraw/zinc/30/48/12/181304812.db2.gz XHNPCHLJKASALQ-CYBMUJFWSA-N 1 1 302.330 1.201 10 0 DDAEMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(CC(=O)N(C)C)C1 ZINC000195268966 201368843 /nfs/dbraw/zinc/36/88/43/201368843.db2.gz DDAGARSJSPHDFY-ZDUSSCGKSA-N 1 1 310.467 1.293 10 0 DDAEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC000195268966 201368846 /nfs/dbraw/zinc/36/88/46/201368846.db2.gz DDAGARSJSPHDFY-ZDUSSCGKSA-N 1 1 310.467 1.293 10 0 DDAEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC000195268966 201368848 /nfs/dbraw/zinc/36/88/48/201368848.db2.gz DDAGARSJSPHDFY-ZDUSSCGKSA-N 1 1 310.467 1.293 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000246847486 202626185 /nfs/dbraw/zinc/62/61/85/202626185.db2.gz FFTUPNLAQMZYGH-HYVNUMGLSA-N 1 1 319.449 1.618 10 0 DDAEMO C[N@H+](CC(=O)N1CCSc2ccccc21)CC1CC(O)C1 ZINC000091489289 193063205 /nfs/dbraw/zinc/06/32/05/193063205.db2.gz GLBQBEQDGBJRAF-UHFFFAOYSA-N 1 1 306.431 1.828 10 0 DDAEMO CCC[C@H]1CN(Cc2c(C)nn(C)c2OC)CC[N@H+]1CCOC ZINC000091858505 193119198 /nfs/dbraw/zinc/11/91/98/193119198.db2.gz MRUXKSZKVBQDBF-HNNXBMFYSA-N 1 1 324.469 1.670 10 0 DDAEMO C[NH2+][C@H](C(=O)Nc1cc(CC(C)(C)C)[nH]n1)c1cnn(C)c1 ZINC000262573840 203334713 /nfs/dbraw/zinc/33/47/13/203334713.db2.gz SRMCFODIHFHOCR-ZDUSSCGKSA-N 1 1 304.398 1.631 10 0 DDAEMO C[C@@H](C[C@@H]1CCCC[NH2+]1)NCc1ccc(S(N)(=O)=O)cc1 ZINC000093473027 193257574 /nfs/dbraw/zinc/25/75/74/193257574.db2.gz NVHYXUHTEDOLRZ-JSGCOSHPSA-N 1 1 311.451 1.344 10 0 DDAEMO C[C@@H]1[NH2+]CCN(Cc2cc(F)cc(Br)c2)C1=O ZINC000094002056 193337455 /nfs/dbraw/zinc/33/74/55/193337455.db2.gz PPVQUEARPUTRAB-QMMMGPOBSA-N 1 1 301.159 1.909 10 0 DDAEMO COC(=O)[C@@](C)(CCCCSC[C@@H](O)CO)[NH2+]C(C)C ZINC000093960079 193331967 /nfs/dbraw/zinc/33/19/67/193331967.db2.gz DTDOZELFJRUKMQ-GXTWGEPZSA-N 1 1 307.456 1.173 10 0 DDAEMO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1N ZINC000094457262 193371355 /nfs/dbraw/zinc/37/13/55/193371355.db2.gz UBUKISDDQSWEFT-STQMWFEESA-N 1 1 309.435 1.434 10 0 DDAEMO Cc1cc(N)cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000094457297 193372095 /nfs/dbraw/zinc/37/20/95/193372095.db2.gz MALBURXALWNDMV-JSGCOSHPSA-N 1 1 309.435 1.434 10 0 DDAEMO Cc1ccc(C)c(N2C[C@@H](C(=O)N3CC[NH+](C)CC3)CC2=O)c1 ZINC000015453492 182002926 /nfs/dbraw/zinc/00/29/26/182002926.db2.gz OMZFBJKQVQCWEW-HNNXBMFYSA-N 1 1 315.417 1.430 10 0 DDAEMO CC(C)[C@H](O)CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000156985214 248308848 /nfs/dbraw/zinc/30/88/48/248308848.db2.gz CFCAOLFNINVKHP-QGZVFWFLSA-N 1 1 320.433 1.907 10 0 DDAEMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(N)cc2Cl)C1 ZINC000040671887 183116087 /nfs/dbraw/zinc/11/60/87/183116087.db2.gz KFEJOEVAHGRJKA-JTQLQIEISA-N 1 1 303.815 1.295 10 0 DDAEMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(N)cc2Cl)C1 ZINC000040671887 183116090 /nfs/dbraw/zinc/11/60/90/183116090.db2.gz KFEJOEVAHGRJKA-JTQLQIEISA-N 1 1 303.815 1.295 10 0 DDAEMO COC[C@H](O)C[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1N ZINC000042483176 183275367 /nfs/dbraw/zinc/27/53/67/183275367.db2.gz LQFRCSBUBZKMGK-LLVKDONJSA-N 1 1 315.801 1.190 10 0 DDAEMO NC(=[NH2+])c1cc2c(nc1Sc1nccc(=O)[nH]1)CCCC2 ZINC000043410567 183360370 /nfs/dbraw/zinc/36/03/70/183360370.db2.gz CSRPERSUYXHQRV-UHFFFAOYSA-N 1 1 301.375 1.479 10 0 DDAEMO CO[C@H]1C[C@@H](CN(C)C(=O)COCc2ccccc2)[N@@H+](C)C1 ZINC000284612318 218099760 /nfs/dbraw/zinc/09/97/60/218099760.db2.gz KLVDJUIWTLAJDR-HOTGVXAUSA-N 1 1 306.406 1.381 10 0 DDAEMO CC[C@@H](C)C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105818274 194136179 /nfs/dbraw/zinc/13/61/79/194136179.db2.gz SBNVKXLNKZRPPL-CVEARBPZSA-N 1 1 311.470 1.286 10 0 DDAEMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105815193 194135253 /nfs/dbraw/zinc/13/52/53/194135253.db2.gz CUAQFDVUVVBYIC-HNNXBMFYSA-N 1 1 317.437 1.754 10 0 DDAEMO CC[C@H]1CN(CC(=O)Nc2cccc(C)c2)CC[N@H+]1CCOC ZINC000105835989 194142442 /nfs/dbraw/zinc/14/24/42/194142442.db2.gz XQFRJPMPFQTRCA-KRWDZBQOSA-N 1 1 319.449 1.976 10 0 DDAEMO FC(F)(F)COCCC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105884427 194157346 /nfs/dbraw/zinc/15/73/46/194157346.db2.gz IAOMRHPMDWRONJ-GFCCVEGCSA-N 1 1 306.332 1.959 10 0 DDAEMO O[C@H](Cc1ccccc1)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105890013 194158772 /nfs/dbraw/zinc/15/87/72/194158772.db2.gz YMFRODUIIFHVHV-SJORKVTESA-N 1 1 301.390 1.188 10 0 DDAEMO Cc1cnn(C[C@H]2C[N@H+](CCOc3ccccc3)CCO2)c1 ZINC000105891319 194159425 /nfs/dbraw/zinc/15/94/25/194159425.db2.gz MTQLDZQHWUYLSN-QGZVFWFLSA-N 1 1 301.390 1.971 10 0 DDAEMO Cc1cnn(C[C@H]2C[N@@H+](CCOc3ccccc3)CCO2)c1 ZINC000105891319 194159427 /nfs/dbraw/zinc/15/94/27/194159427.db2.gz MTQLDZQHWUYLSN-QGZVFWFLSA-N 1 1 301.390 1.971 10 0 DDAEMO CCCCOC(=O)CC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105909226 194166673 /nfs/dbraw/zinc/16/66/73/194166673.db2.gz TWTMJLORNXFCAY-UHFFFAOYSA-N 1 1 306.410 1.722 10 0 DDAEMO CCOCC[N@H+]1CCN(Cc2cc(C(=O)OC)c(C)o2)C[C@@H]1C ZINC000106112734 194186684 /nfs/dbraw/zinc/18/66/84/194186684.db2.gz JPZNHXPPXKXTCR-ZDUSSCGKSA-N 1 1 324.421 1.917 10 0 DDAEMO Nc1cccc(Cl)c1-c1nnnn1[C@H]1CC[N@H+](C2CC2)C1 ZINC000111014437 194382865 /nfs/dbraw/zinc/38/28/65/194382865.db2.gz RSPCYKMQTRBXHH-JTQLQIEISA-N 1 1 304.785 1.985 10 0 DDAEMO Cc1[nH+]ccn1CC1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000062130336 184207392 /nfs/dbraw/zinc/20/73/92/184207392.db2.gz CWKOCTWJFILYEE-UHFFFAOYSA-N 1 1 300.362 1.432 10 0 DDAEMO Cc1nc(CC(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)no1 ZINC000062456585 184237317 /nfs/dbraw/zinc/23/73/17/184237317.db2.gz OCLATWRUXXUQFT-OAHLLOKOSA-N 1 1 312.373 1.362 10 0 DDAEMO Cc1nc(CC(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)no1 ZINC000062456585 184237318 /nfs/dbraw/zinc/23/73/18/184237318.db2.gz OCLATWRUXXUQFT-OAHLLOKOSA-N 1 1 312.373 1.362 10 0 DDAEMO CN(Cc1nc2c(cnn2C)c(Cl)n1)[C@H]1CCC[N@@H+](C)C1 ZINC000063077716 184269330 /nfs/dbraw/zinc/26/93/30/184269330.db2.gz GVAAOTWJDIJCNG-JTQLQIEISA-N 1 1 308.817 1.543 10 0 DDAEMO CCN[C@@](C)(C[C@H](C)[N@@H+]1CCOC[C@@H]1CC)C(=O)OCC ZINC000068626694 184494464 /nfs/dbraw/zinc/49/44/64/184494464.db2.gz VVJNXCVDEKFPSH-DZKIICNBSA-N 1 1 300.443 1.807 10 0 DDAEMO CCN[C@@](C)(C[C@H](C)[N@H+]1CCOC[C@@H]1CC)C(=O)OCC ZINC000068626694 184494465 /nfs/dbraw/zinc/49/44/65/184494465.db2.gz VVJNXCVDEKFPSH-DZKIICNBSA-N 1 1 300.443 1.807 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](OC)c2ccccc2)C[C@H]1C ZINC000117282289 194807641 /nfs/dbraw/zinc/80/76/41/194807641.db2.gz TUQPDFYHFGTTIZ-NVXWUHKLSA-N 1 1 320.433 1.943 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)[C@H](OC)c2ccccc2)C[C@H]1C ZINC000117282289 194807644 /nfs/dbraw/zinc/80/76/44/194807644.db2.gz TUQPDFYHFGTTIZ-NVXWUHKLSA-N 1 1 320.433 1.943 10 0 DDAEMO CCOCC[N@H+]1CCN(Cc2nc(CC)cc(=O)[nH]2)C[C@H]1C ZINC000120028219 195083042 /nfs/dbraw/zinc/08/30/42/195083042.db2.gz JLNWUIGPVVPKBM-CYBMUJFWSA-N 1 1 308.426 1.287 10 0 DDAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(C)cc2)CC1 ZINC000155532684 197063724 /nfs/dbraw/zinc/06/37/24/197063724.db2.gz VZYDMTBYMHECEK-MRXNPFEDSA-N 1 1 305.422 1.593 10 0 DDAEMO COc1cccc(OCC[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000155254062 197036607 /nfs/dbraw/zinc/03/66/07/197036607.db2.gz QJSFXVLGDRQGGI-YJBOKZPZSA-N 1 1 320.433 1.727 10 0 DDAEMO Cn1cc(C[C@@H]2[C@@H](OCC3CC3)CC[N@H+]2C[C@@H]2CCOC2)cn1 ZINC000248118708 257108448 /nfs/dbraw/zinc/10/84/48/257108448.db2.gz JFXFKMIQGLUABB-JQHSSLGASA-N 1 1 319.449 1.869 10 0 DDAEMO Cc1ccc(OCC(=O)N2C[C@@H]3OCC[N@H+](C)C[C@@H]3C2)cc1 ZINC000248133958 257108687 /nfs/dbraw/zinc/10/86/87/257108687.db2.gz NZYVXZMREKEVDJ-ZBFHGGJFSA-N 1 1 304.390 1.163 10 0 DDAEMO C[N@H+]1[C@@H]2CCN(CC3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 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C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000172059140 198033288 /nfs/dbraw/zinc/03/32/88/198033288.db2.gz MWNMXGGWVAODMU-DZGCQCFKSA-N 1 1 311.389 1.576 10 0 DDAEMO CNC(=O)c1cccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000172895675 198165086 /nfs/dbraw/zinc/16/50/86/198165086.db2.gz YCQPHXLQOBMBFZ-OAHLLOKOSA-N 1 1 301.390 1.357 10 0 DDAEMO CNC(=O)c1cccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000172895675 198165087 /nfs/dbraw/zinc/16/50/87/198165087.db2.gz YCQPHXLQOBMBFZ-OAHLLOKOSA-N 1 1 301.390 1.357 10 0 DDAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2cccs2)C1 ZINC000052528011 352615132 /nfs/dbraw/zinc/61/51/32/352615132.db2.gz YCECQTDTSBDMCU-GFCCVEGCSA-N 1 1 324.450 1.261 10 0 DDAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C ZINC000174292245 198315275 /nfs/dbraw/zinc/31/52/75/198315275.db2.gz NACMDDQIWXMAFD-ZIAGYGMSSA-N 1 1 302.418 1.702 10 0 DDAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C ZINC000174292245 198315277 /nfs/dbraw/zinc/31/52/77/198315277.db2.gz NACMDDQIWXMAFD-ZIAGYGMSSA-N 1 1 302.418 1.702 10 0 DDAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCCOc2ccccc2)C[C@H]1C ZINC000174301861 198317469 /nfs/dbraw/zinc/31/74/69/198317469.db2.gz OZQGXNFHDILUFF-HZPDHXFCSA-N 1 1 320.433 1.759 10 0 DDAEMO COC(=O)CC[N@H+]1CCN(Cc2nccn2C(C)C)[C@H](C)C1 ZINC000182104719 199387527 /nfs/dbraw/zinc/38/75/27/199387527.db2.gz MMPPFGHFMFGHNS-CQSZACIVSA-N 1 1 308.426 1.533 10 0 DDAEMO CC[C@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC[N@@H+]1CCOC ZINC000117303464 353993110 /nfs/dbraw/zinc/99/31/10/353993110.db2.gz AVQAIBHCRRZCII-ZDUSSCGKSA-N 1 1 322.453 1.890 10 0 DDAEMO CC[C@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC[N@H+]1CCOC ZINC000117303464 353993115 /nfs/dbraw/zinc/99/31/15/353993115.db2.gz AVQAIBHCRRZCII-ZDUSSCGKSA-N 1 1 322.453 1.890 10 0 DDAEMO CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152398283 354191931 /nfs/dbraw/zinc/19/19/31/354191931.db2.gz MOXRRBILAKGOBG-AWEZNQCLSA-N 1 1 320.393 1.161 10 0 DDAEMO CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152398283 354191937 /nfs/dbraw/zinc/19/19/37/354191937.db2.gz MOXRRBILAKGOBG-AWEZNQCLSA-N 1 1 320.393 1.161 10 0 DDAEMO CC[C@H](O)CN1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182417966 354273108 /nfs/dbraw/zinc/27/31/08/354273108.db2.gz WIRDUKTZBNWGBC-ZWKOTPCHSA-N 1 1 306.450 1.369 10 0 DDAEMO CC[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[N@H+]1C[C@H](C)O ZINC000246885031 354362340 /nfs/dbraw/zinc/36/23/40/354362340.db2.gz ORUJZWQPYDYNNN-SWLSCSKDSA-N 1 1 322.453 1.263 10 0 DDAEMO Cc1cccc(C(=O)N2CCO[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000328631585 354553513 /nfs/dbraw/zinc/55/35/13/354553513.db2.gz KRWFWGXONQENOK-OAHLLOKOSA-N 1 1 303.406 1.573 10 0 DDAEMO CC1CCC(O)(C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)CC1 ZINC000328630374 354553598 /nfs/dbraw/zinc/55/35/98/354553598.db2.gz JIPYDFLOMBRLDB-VTWZXRTESA-N 1 1 308.382 1.247 10 0 DDAEMO CC1CCC(O)(C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)CC1 ZINC000328630374 354553600 /nfs/dbraw/zinc/55/36/00/354553600.db2.gz JIPYDFLOMBRLDB-VTWZXRTESA-N 1 1 308.382 1.247 10 0 DDAEMO CO[C@@H](C)c1noc(CN(C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328655627 354560335 /nfs/dbraw/zinc/56/03/35/354560335.db2.gz YONGBUTWLDCBBQ-NWDGAFQWSA-N 1 1 305.382 1.668 10 0 DDAEMO CS(=O)(=O)c1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000179813816 199083005 /nfs/dbraw/zinc/08/30/05/199083005.db2.gz UPKNYXPJXMZCTI-NSHDSACASA-N 1 1 314.432 1.072 10 0 DDAEMO CS(=O)(=O)c1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000179813816 199083006 /nfs/dbraw/zinc/08/30/06/199083006.db2.gz UPKNYXPJXMZCTI-NSHDSACASA-N 1 1 314.432 1.072 10 0 DDAEMO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H](N)c3ccccc3)CC2)CCO1 ZINC000237398397 202254283 /nfs/dbraw/zinc/25/42/83/202254283.db2.gz JTPAVKWAUVILBN-PBHICJAKSA-N 1 1 317.433 1.398 10 0 DDAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H](N)c3ccccc3)CC2)CCO1 ZINC000237398397 202254286 /nfs/dbraw/zinc/25/42/86/202254286.db2.gz JTPAVKWAUVILBN-PBHICJAKSA-N 1 1 317.433 1.398 10 0 DDAEMO C[C@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)N1CCOCC1 ZINC000194973028 201319730 /nfs/dbraw/zinc/31/97/30/201319730.db2.gz NGVAFWTXTKBVTC-HIFRSBDPSA-N 1 1 301.394 1.204 10 0 DDAEMO CC[C@@H](C)NC(=O)CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278458 201372377 /nfs/dbraw/zinc/37/23/77/201372377.db2.gz YZWUJWMRSCEBSB-NVXWUHKLSA-N 1 1 318.465 1.750 10 0 DDAEMO Cc1nc(N)sc1-c1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000091686011 193091058 /nfs/dbraw/zinc/09/10/58/193091058.db2.gz PJNSEGPDWGWVPW-RKDXNWHRSA-N 1 1 307.379 1.619 10 0 DDAEMO CSc1ccccc1C(=O)N1CC[NH+]([C@@H](C)C(N)=S)CC1 ZINC000092213718 193173844 /nfs/dbraw/zinc/17/38/44/193173844.db2.gz UDIAYIMZOSUTND-NSHDSACASA-N 1 1 323.487 1.841 10 0 DDAEMO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000245458823 284022344 /nfs/dbraw/zinc/02/23/44/284022344.db2.gz KSAUDMXDKCWVFI-ZNMIVQPWSA-N 1 1 308.422 1.663 10 0 DDAEMO CCOc1ccccc1[C@H](C)NC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000262016767 203173958 /nfs/dbraw/zinc/17/39/58/203173958.db2.gz CNSFKLWGEJGONF-BLLLJJGKSA-N 1 1 316.405 1.957 10 0 DDAEMO C[NH2+][C@@H](C(=O)Nc1nnc(CC(C)C)s1)c1cnn(C)c1 ZINC000262048955 203184312 /nfs/dbraw/zinc/18/43/12/203184312.db2.gz HEMVDSMCZAWOCX-LLVKDONJSA-N 1 1 308.411 1.369 10 0 DDAEMO CN(C)CCN1C(=[NH2+])NC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000093375030 193240408 /nfs/dbraw/zinc/24/04/08/193240408.db2.gz QFGBAHJJQKFCRY-GFCCVEGCSA-N 1 1 300.328 1.938 10 0 DDAEMO CCOC(=O)[C@@]1(NC)CCC[C@H]1CC[N@@H+](CC)CCOC ZINC000093591214 193271830 /nfs/dbraw/zinc/27/18/30/193271830.db2.gz IAJLJYHCKFCSEM-GOEBONIOSA-N 1 1 300.443 1.666 10 0 DDAEMO C[NH2+][C@]1(C(=O)OC)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093758672 193301775 /nfs/dbraw/zinc/30/17/75/193301775.db2.gz OELVOGZJPVMQEJ-ZYHUDNBSSA-N 1 1 316.199 1.892 10 0 DDAEMO CCN[C@]1(C(=O)OC)CC[C@@H]([N@@H+](CCOC)[C@@H](C)CC)C1 ZINC000093827661 193312553 /nfs/dbraw/zinc/31/25/53/193312553.db2.gz VMCHLNIOCFHWCE-SQWLQELKSA-N 1 1 300.443 1.807 10 0 DDAEMO Cc1cc(N)c(C)c(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000094358722 193364063 /nfs/dbraw/zinc/36/40/63/193364063.db2.gz BBFQLCGGTKIWTQ-ZDUSSCGKSA-N 1 1 311.451 1.458 10 0 DDAEMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1N ZINC000094637415 193386775 /nfs/dbraw/zinc/38/67/75/193386775.db2.gz VXDIPRVCOOVUTI-SNVBAGLBSA-N 1 1 317.842 1.461 10 0 DDAEMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1N ZINC000094637414 193386875 /nfs/dbraw/zinc/38/68/75/193386875.db2.gz VXDIPRVCOOVUTI-JTQLQIEISA-N 1 1 317.842 1.461 10 0 DDAEMO CC[N@@H+](C[C@H](C)C(N)=S)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094636593 193387055 /nfs/dbraw/zinc/38/70/55/193387055.db2.gz WSSJDJFUIVMZEU-TUAOUCFPSA-N 1 1 306.497 1.586 10 0 DDAEMO CS(=O)(=O)[C@H]1CCC[C@H](N2CCC(OCCC[NH3+])CC2)C1 ZINC000094638901 193388405 /nfs/dbraw/zinc/38/84/05/193388405.db2.gz OIMKPBRIWSONLG-ZFWWWQNUSA-N 1 1 318.483 1.172 10 0 DDAEMO CC(C)[C@@H]1CN2CCCC[C@@H]2C[N@H+]1[C@@H]1CCCS(=O)(=O)C1 ZINC000094434748 193370375 /nfs/dbraw/zinc/37/03/75/193370375.db2.gz CWKUKOSFGMMPTG-OAGGEKHMSA-N 1 1 314.495 1.758 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(N)cc(F)c1 ZINC000094457241 193371155 /nfs/dbraw/zinc/37/11/55/193371155.db2.gz OLSUQWYZJHBDAB-GXFFZTMASA-N 1 1 313.398 1.265 10 0 DDAEMO CC(C)[C@H]1C[N@H+]2CCC[C@@H]2CN1C1CCS(=O)(=O)CC1 ZINC000094448203 193371702 /nfs/dbraw/zinc/37/17/02/193371702.db2.gz UNZWLIMFFNAIPG-HUUCEWRRSA-N 1 1 300.468 1.368 10 0 DDAEMO CC[N@@H+](C)CCNS(=O)(=O)c1cccc2cc(N)ccc21 ZINC000094787361 193398732 /nfs/dbraw/zinc/39/87/32/193398732.db2.gz QMKYMFPZWVFHMQ-UHFFFAOYSA-N 1 1 307.419 1.652 10 0 DDAEMO CC[NH+]1CCN(C(=O)Cn2c3ccccc3sc2=O)CC1 ZINC000020116976 182188519 /nfs/dbraw/zinc/18/85/19/182188519.db2.gz YKPRCYLNXZLXLW-UHFFFAOYSA-N 1 1 305.403 1.227 10 0 DDAEMO C[N@H+](Cc1ccco1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024949391 182396366 /nfs/dbraw/zinc/39/63/66/182396366.db2.gz WGCBWFQJBLTFCE-LBPRGKRZSA-N 1 1 314.341 1.369 10 0 DDAEMO C[C@H]([C@H]1CC[C@@H]([C@@H](C)N2CCOCC2)C1=O)[NH+]1CCOCC1 ZINC000039372567 183017351 /nfs/dbraw/zinc/01/73/51/183017351.db2.gz VZXHPXABMPLTJH-FPCVCCKLSA-N 1 1 310.438 1.023 10 0 DDAEMO C[C@H]([C@H]1CC[C@@H]([C@@H](C)[NH+]2CCOCC2)C1=O)N1CCOCC1 ZINC000039372567 183017353 /nfs/dbraw/zinc/01/73/53/183017353.db2.gz VZXHPXABMPLTJH-FPCVCCKLSA-N 1 1 310.438 1.023 10 0 DDAEMO OCC[C@H]1CSCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000336711003 249229436 /nfs/dbraw/zinc/22/94/36/249229436.db2.gz LCYJQVQKTJZMFH-HOTGVXAUSA-N 1 1 311.447 1.364 10 0 DDAEMO NC(=O)c1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000284476422 218042688 /nfs/dbraw/zinc/04/26/88/218042688.db2.gz BBZXZRNHHXTXIA-BZUAXINKSA-N 1 1 304.390 1.147 10 0 DDAEMO NC(=O)c1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000284476422 218042690 /nfs/dbraw/zinc/04/26/90/218042690.db2.gz BBZXZRNHHXTXIA-BZUAXINKSA-N 1 1 304.390 1.147 10 0 DDAEMO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)NC1CCCC1 ZINC000105798562 194130058 /nfs/dbraw/zinc/13/00/58/194130058.db2.gz NVZIEYHRUFZEOE-UHFFFAOYSA-N 1 1 303.410 1.048 10 0 DDAEMO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)NC1CCCC1 ZINC000105798562 194130060 /nfs/dbraw/zinc/13/00/60/194130060.db2.gz NVZIEYHRUFZEOE-UHFFFAOYSA-N 1 1 303.410 1.048 10 0 DDAEMO CCOC(=O)CCC[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864875 194150246 /nfs/dbraw/zinc/15/02/46/194150246.db2.gz PBNRMQQMPDFYKJ-GFCCVEGCSA-N 1 1 310.398 1.400 10 0 DDAEMO CC[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)CC)CC[N@H+]1CCOC ZINC000105836749 194141805 /nfs/dbraw/zinc/14/18/05/194141805.db2.gz AOVSUXRPEUPWQW-LSDHHAIUSA-N 1 1 313.486 1.722 10 0 DDAEMO CC[C@@H]1CN(Cc2noc(C(C)(C)C)n2)CC[N@H+]1CCOC ZINC000105836955 194143777 /nfs/dbraw/zinc/14/37/77/194143777.db2.gz ZHIRPRMQFLRSDR-CYBMUJFWSA-N 1 1 310.442 1.910 10 0 DDAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3cccnc3)CC2)C1 ZINC000105845914 194145803 /nfs/dbraw/zinc/14/58/03/194145803.db2.gz CCHPNONCOWSWMN-GOSISDBHSA-N 1 1 318.465 1.308 10 0 DDAEMO Cn1cc[nH+]c1CC1CCN(Cc2nnnn2C2CC2)CC1 ZINC000105876434 194153615 /nfs/dbraw/zinc/15/36/15/194153615.db2.gz LAQKJZDWFDQHPE-UHFFFAOYSA-N 1 1 301.398 1.196 10 0 DDAEMO CC[C@@H]1CN(CCC(=O)Nc2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000105902684 194165846 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257118479 /nfs/dbraw/zinc/11/84/79/257118479.db2.gz UOKUJPPXUBYYFQ-BBRMVZONSA-N 1 1 321.446 1.793 10 0 DDAEMO O=C(NC1CCC1)[C@]12CCO[C@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000247751039 257118480 /nfs/dbraw/zinc/11/84/80/257118480.db2.gz UOKUJPPXUBYYFQ-BBRMVZONSA-N 1 1 321.446 1.793 10 0 DDAEMO CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000087138166 407118093 /nfs/dbraw/zinc/11/80/93/407118093.db2.gz NYOCQIKRLZXFDQ-DGCLKSJQSA-N 1 1 320.441 1.457 10 0 DDAEMO C[C@@H]1CCCN(C(=O)C[NH+]2CCC(Nc3cccnn3)CC2)C1 ZINC000105805007 407355473 /nfs/dbraw/zinc/35/54/73/407355473.db2.gz JLONLDQCHYWGPO-CQSZACIVSA-N 1 1 317.437 1.611 10 0 DDAEMO CCOCC[N@H+]1CCN(c2ccc3nccnc3n2)C[C@@H]1C ZINC000112080398 407421129 /nfs/dbraw/zinc/42/11/29/407421129.db2.gz IQEXMISPAUNWIU-ZDUSSCGKSA-N 1 1 301.394 1.572 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCCS2)C[C@@H]1C ZINC000127302433 407433020 /nfs/dbraw/zinc/43/30/20/407433020.db2.gz FCKRGQPDNRXSMK-STQMWFEESA-N 1 1 301.456 1.244 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)NC[C@@H]2CCCS2)C[C@@H]1C ZINC000127302433 407433022 /nfs/dbraw/zinc/43/30/22/407433022.db2.gz FCKRGQPDNRXSMK-STQMWFEESA-N 1 1 301.456 1.244 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)Cc1ccccc1 ZINC000113228049 407476027 /nfs/dbraw/zinc/47/60/27/407476027.db2.gz QUPGOVXRWZVDCU-GDBMZVCRSA-N 1 1 315.417 1.040 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000113232985 407481052 /nfs/dbraw/zinc/48/10/52/407481052.db2.gz RZSPIKPURFFACL-UKRRQHHQSA-N 1 1 311.389 1.576 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000113268406 407485121 /nfs/dbraw/zinc/48/51/21/407485121.db2.gz ABKIZCVJTZZYHV-IJLUTSLNSA-N 1 1 305.344 1.318 10 0 DDAEMO CC(C)CCOCCNC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113271362 407488149 /nfs/dbraw/zinc/48/81/49/407488149.db2.gz LEKDCMXIQIIYPH-JKSUJKDBSA-N 1 1 311.470 1.334 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000253585857 407460513 /nfs/dbraw/zinc/46/05/13/407460513.db2.gz WYFBLYKDNMAVJZ-QWRGUYRKSA-N 1 1 313.361 1.039 10 0 DDAEMO CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@H]2c2cn[nH]c2)C1=O ZINC000114201777 407552421 /nfs/dbraw/zinc/55/24/21/407552421.db2.gz QTMNOZBUJLKNQU-ZDUSSCGKSA-N 1 1 319.409 1.657 10 0 DDAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000152412453 407633314 /nfs/dbraw/zinc/63/33/14/407633314.db2.gz SGCODXCYVPGTSM-SJORKVTESA-N 1 1 322.497 1.987 10 0 DDAEMO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH+]1Cc2ccccc2C1 ZINC000171573630 407707821 /nfs/dbraw/zinc/70/78/21/407707821.db2.gz LAZZGSGVKSLIDV-HNNXBMFYSA-N 1 1 322.364 1.659 10 0 DDAEMO COCC[C@H](C)NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115816143 407710803 /nfs/dbraw/zinc/71/08/03/407710803.db2.gz OSOXCWAYPYPEOY-AWEZNQCLSA-N 1 1 323.441 1.062 10 0 DDAEMO COCC[C@H](C)NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115816143 407710812 /nfs/dbraw/zinc/71/08/12/407710812.db2.gz OSOXCWAYPYPEOY-AWEZNQCLSA-N 1 1 323.441 1.062 10 0 DDAEMO CCCn1cc(CN2CCCN(C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262023681 407714914 /nfs/dbraw/zinc/71/49/14/407714914.db2.gz NJQCSDLEKHITIR-GOSISDBHSA-N 1 1 319.497 1.800 10 0 DDAEMO Cc1ccc(C(=O)C2CCN(Cc3noc(C[NH3+])n3)CC2)cc1 ZINC000262117890 407744735 /nfs/dbraw/zinc/74/47/35/407744735.db2.gz BRBJKSLYHBUMMP-UHFFFAOYSA-N 1 1 314.389 1.932 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)Cn2nc(C)cc2C)C[C@H]1CC ZINC000116768713 407772305 /nfs/dbraw/zinc/77/23/05/407772305.db2.gz GYWGOGWNXFTINP-MRXNPFEDSA-N 1 1 322.453 1.459 10 0 DDAEMO O=C(CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCCCCC1 ZINC000171905531 407789860 /nfs/dbraw/zinc/78/98/60/407789860.db2.gz LZNLRBPQTNYJGL-OAHLLOKOSA-N 1 1 322.453 1.269 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1C ZINC000172225802 407813500 /nfs/dbraw/zinc/81/35/00/407813500.db2.gz WHVMYJNBAJMBSV-CJNGLKHVSA-N 1 1 304.390 1.169 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1C ZINC000172225802 407813505 /nfs/dbraw/zinc/81/35/05/407813505.db2.gz WHVMYJNBAJMBSV-CJNGLKHVSA-N 1 1 304.390 1.169 10 0 DDAEMO CC(C)n1cc2cc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)ccc2n1 ZINC000262371448 407814548 /nfs/dbraw/zinc/81/45/48/407814548.db2.gz WFDJULDBNRVXTA-ABAIWWIYSA-N 1 1 302.378 1.933 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cccnc2OC)C[C@H]1C ZINC000172272505 407816268 /nfs/dbraw/zinc/81/62/68/407816268.db2.gz ULBLCSVCDKWKCB-CYBMUJFWSA-N 1 1 322.409 1.665 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)Nc2cccnc2OC)C[C@H]1C ZINC000172272505 407816276 /nfs/dbraw/zinc/81/62/76/407816276.db2.gz ULBLCSVCDKWKCB-CYBMUJFWSA-N 1 1 322.409 1.665 10 0 DDAEMO CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)CC[N@H+]1CCOC ZINC000117306797 407825442 /nfs/dbraw/zinc/82/54/42/407825442.db2.gz BRABJJPICZVBNZ-MRXNPFEDSA-N 1 1 308.397 1.937 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)NCCc2nccs2)C[C@@H]1C ZINC000117487549 407838260 /nfs/dbraw/zinc/83/82/60/407838260.db2.gz UZRBCDQOQQQGAG-LBPRGKRZSA-N 1 1 312.439 1.048 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)NCCc2nccs2)C[C@@H]1C ZINC000117487549 407838268 /nfs/dbraw/zinc/83/82/68/407838268.db2.gz UZRBCDQOQQQGAG-LBPRGKRZSA-N 1 1 312.439 1.048 10 0 DDAEMO CCc1cc(=O)n2nc(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)sc2n1 ZINC000133497352 407851839 /nfs/dbraw/zinc/85/18/39/407851839.db2.gz UXFXBDLKUDKQLJ-MWLCHTKSSA-N 1 1 319.434 1.751 10 0 DDAEMO CN1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000245201807 407951218 /nfs/dbraw/zinc/95/12/18/407951218.db2.gz MPNHDMJFGRMUTM-DLBZAZTESA-N 1 1 317.433 1.098 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NCc1cccs1 ZINC000245421640 407975139 /nfs/dbraw/zinc/97/51/39/407975139.db2.gz IBNDKZWNFMFIED-KGLIPLIRSA-N 1 1 307.463 1.923 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC(=O)NC1CCCC1 ZINC000175035251 408036882 /nfs/dbraw/zinc/03/68/82/408036882.db2.gz BRUOWHJMNCRDCK-HUUCEWRRSA-N 1 1 322.453 1.313 10 0 DDAEMO CC[C@H]1CN(Cc2cc(C(N)=O)cs2)CC[N@H+]1C[C@H](C)O ZINC000245723009 408052073 /nfs/dbraw/zinc/05/20/73/408052073.db2.gz IFHCBFIEENBCRT-AAEUAGOBSA-N 1 1 311.451 1.124 10 0 DDAEMO CCOCC[N@H+]1CCN(c2ccc3nnc(CC)n3n2)C[C@H]1C ZINC000174735953 407987529 /nfs/dbraw/zinc/98/75/29/407987529.db2.gz SZYVDQSOMGRNRU-CYBMUJFWSA-N 1 1 318.425 1.234 10 0 DDAEMO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000189097953 407997282 /nfs/dbraw/zinc/99/72/82/407997282.db2.gz GYFIQQYFTRYBEB-CYBMUJFWSA-N 1 1 312.373 1.979 10 0 DDAEMO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000189097953 407997286 /nfs/dbraw/zinc/99/72/86/407997286.db2.gz GYFIQQYFTRYBEB-CYBMUJFWSA-N 1 1 312.373 1.979 10 0 DDAEMO O=C([C@@H]1CC(F)(F)CN1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000263071149 408016396 /nfs/dbraw/zinc/01/63/96/408016396.db2.gz WNEPLNBUBNOFSE-UBHSHLNASA-N 1 1 313.392 1.459 10 0 DDAEMO CC[C@@H]1CN(C(=O)[C@H](C)CCCOC)CC[N@H+]1C[C@@H](C)O ZINC000245561652 408019295 /nfs/dbraw/zinc/01/92/95/408019295.db2.gz XLSYBCQUJDJOEB-RBSFLKMASA-N 1 1 300.443 1.353 10 0 DDAEMO CCc1nnc(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)n1C ZINC000182028627 408064958 /nfs/dbraw/zinc/06/49/58/408064958.db2.gz XLAIVIKEPNHORR-GFCCVEGCSA-N 1 1 311.393 1.809 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)Cc2cccc(COC)c2)C[C@@H]1C ZINC000189659918 408073985 /nfs/dbraw/zinc/07/39/85/408073985.db2.gz JAEFFZXENSFQPC-HNNXBMFYSA-N 1 1 320.433 1.555 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)Cc2cccc(COC)c2)C[C@@H]1C ZINC000189659918 408073989 /nfs/dbraw/zinc/07/39/89/408073989.db2.gz JAEFFZXENSFQPC-HNNXBMFYSA-N 1 1 320.433 1.555 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1nn2c(nc(C)cc2=O)s1 ZINC000175336635 408110464 /nfs/dbraw/zinc/11/04/64/408110464.db2.gz LIIIRIDNDVNHNE-LBPRGKRZSA-N 1 1 321.450 1.376 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000175392656 408118695 /nfs/dbraw/zinc/11/86/95/408118695.db2.gz AQXZZVAPSKZHSC-KBPBESRZSA-N 1 1 304.456 1.301 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CC1CCOCC1 ZINC000175396048 408120902 /nfs/dbraw/zinc/12/09/02/408120902.db2.gz ZEHYVKCZOHCEQJ-CQSZACIVSA-N 1 1 304.456 1.159 10 0 DDAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCOC1CCOCC1 ZINC000175464423 408137006 /nfs/dbraw/zinc/13/70/06/408137006.db2.gz SKACXAWVANZZCJ-HNNXBMFYSA-N 1 1 321.421 1.768 10 0 DDAEMO CCc1nn(C)c(CC)c1CNC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263453452 408142665 /nfs/dbraw/zinc/14/26/65/408142665.db2.gz AJAZCQNGRZYKBW-UHFFFAOYSA-N 1 1 322.453 1.572 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1nc2c(s1)COCC2 ZINC000246153816 408158207 /nfs/dbraw/zinc/15/82/07/408158207.db2.gz POUBEUBPYRCZQC-QWRGUYRKSA-N 1 1 322.434 1.916 10 0 DDAEMO Cc1cc(F)cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000190094790 408163166 /nfs/dbraw/zinc/16/31/66/408163166.db2.gz BKYQMIQCIWKZLZ-WFASDCNBSA-N 1 1 319.380 1.768 10 0 DDAEMO O=c1cc(CN2CC[N@H+]3CCCC[C@H]3C2)nc2sccn21 ZINC000246239252 408188069 /nfs/dbraw/zinc/18/80/69/408188069.db2.gz UPZSBMVCGZOHHF-ZDUSSCGKSA-N 1 1 304.419 1.426 10 0 DDAEMO Cc1nccn1C[C@H](C)CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246461034 408264478 /nfs/dbraw/zinc/26/44/78/408264478.db2.gz PJAFOSFHWWPQFE-IIAWOOMASA-N 1 1 321.469 1.856 10 0 DDAEMO 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CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000177012969 263350089 /nfs/dbraw/zinc/35/00/89/263350089.db2.gz GAIKVUGBPYXHKF-STQMWFEESA-N 1 1 313.442 1.842 10 0 DDAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3cc(F)ccc32)C[C@@H]1C ZINC000182002261 263371391 /nfs/dbraw/zinc/37/13/91/263371391.db2.gz GYFZKWKEXYKPFD-NWDGAFQWSA-N 1 1 319.380 1.834 10 0 DDAEMO COC[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000344373399 272012104 /nfs/dbraw/zinc/01/21/04/272012104.db2.gz SMBKTLCAAXAQDR-HOTGVXAUSA-N 1 1 310.438 1.656 10 0 DDAEMO CCn1nccc1CC[N@H+]1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000344473282 272032752 /nfs/dbraw/zinc/03/27/52/272032752.db2.gz MJQOPLRREOCZIP-HOTGVXAUSA-N 1 1 320.437 1.157 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C(N)=O)c1 ZINC000176277849 276168657 /nfs/dbraw/zinc/16/86/57/276168657.db2.gz YIJWKAUFGKCJQD-CQSZACIVSA-N 1 1 304.394 1.734 10 0 DDAEMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246472735 278203646 /nfs/dbraw/zinc/20/36/46/278203646.db2.gz GCXLCVDPJSWAQA-GWCFXTLKSA-N 1 1 321.352 1.446 10 0 DDAEMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246472735 278203647 /nfs/dbraw/zinc/20/36/47/278203647.db2.gz GCXLCVDPJSWAQA-GWCFXTLKSA-N 1 1 321.352 1.446 10 0 DDAEMO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000246389348 279124610 /nfs/dbraw/zinc/12/46/10/279124610.db2.gz IHWSLHKRUJZCOP-CVEARBPZSA-N 1 1 310.486 1.842 10 0 DDAEMO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCC1 ZINC000076802411 279278931 /nfs/dbraw/zinc/27/89/31/279278931.db2.gz WTVUZXHWGGTART-OAHLLOKOSA-N 1 1 309.454 1.719 10 0 DDAEMO CC(C)N(C(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCC1 ZINC000076802411 279278933 /nfs/dbraw/zinc/27/89/33/279278933.db2.gz WTVUZXHWGGTART-OAHLLOKOSA-N 1 1 309.454 1.719 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000245480966 279302248 /nfs/dbraw/zinc/30/22/48/279302248.db2.gz XUOIVGZRHQJNLE-CHWSQXEVSA-N 1 1 312.458 1.415 10 0 DDAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000262383555 280058170 /nfs/dbraw/zinc/05/81/70/280058170.db2.gz XEVPOFVBGZQZQK-XCCSTKFXSA-N 1 1 310.419 1.413 10 0 DDAEMO CCCC(O)(CCC)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000119011817 281088378 /nfs/dbraw/zinc/08/83/78/281088378.db2.gz ZERVTVHYDQCBPG-LSDHHAIUSA-N 1 1 314.470 1.621 10 0 DDAEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(N(C)C)cc2F)CC1 ZINC000126976985 281259056 /nfs/dbraw/zinc/25/90/56/281259056.db2.gz SYCLSYOHZPSLNB-AWEZNQCLSA-N 1 1 323.412 1.420 10 0 DDAEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CC[C@H]1CCOC1=O ZINC000246957283 282025170 /nfs/dbraw/zinc/02/51/70/282025170.db2.gz OFAPXQAJESDPNM-STQMWFEESA-N 1 1 312.410 1.929 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000247165921 297094006 /nfs/dbraw/zinc/09/40/06/297094006.db2.gz XSQLYSGVMXBWCC-IBEHDNSVSA-N 1 1 319.449 1.822 10 0 DDAEMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000333029353 298314336 /nfs/dbraw/zinc/31/43/36/298314336.db2.gz MFECTGURGRMSDZ-DZGCQCFKSA-N 1 1 303.410 1.294 10 0 DDAEMO O=c1cc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)nc2cc[n-]n21 ZINC000370734165 307134547 /nfs/dbraw/zinc/13/45/47/307134547.db2.gz ZPVHLHFOLRCEJO-BLLLJJGKSA-N 1 1 302.378 1.150 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccnc2N(C)C)C1 ZINC000157339926 519692032 /nfs/dbraw/zinc/69/20/32/519692032.db2.gz BZRZGRQSOJKBCZ-HIFRSBDPSA-N 1 1 319.453 1.676 10 0 DDAEMO COC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2Cn2ccnc2C)C1 ZINC000176079384 697400758 /nfs/dbraw/zinc/40/07/58/697400758.db2.gz LCLGSKSTSACMOP-RDJZCZTQSA-N 1 1 320.437 1.498 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)CN1C(=O)c2ccccc2C1=O ZINC000177160083 697410165 /nfs/dbraw/zinc/41/01/65/697410165.db2.gz VRMURNICLBPUPJ-CYBMUJFWSA-N 1 1 301.390 1.656 10 0 DDAEMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)C1=CCCCO1 ZINC000178583359 697426450 /nfs/dbraw/zinc/42/64/50/697426450.db2.gz SDQHWNGCGYZKRA-INIZCTEOSA-N 1 1 316.401 1.216 10 0 DDAEMO CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](O)c2ccccc2OC)C1 ZINC000194177007 697697036 /nfs/dbraw/zinc/69/70/36/697697036.db2.gz HRXOQGPMJQXJAM-ZFWWWQNUSA-N 1 1 321.421 1.512 10 0 DDAEMO COC(=O)[C@H](C)C[N@H+](CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C1CC1 ZINC000245385466 697822299 /nfs/dbraw/zinc/82/22/99/697822299.db2.gz CVZPFFVZVFHNLJ-MRVWCRGKSA-N 1 1 320.389 1.169 10 0 DDAEMO COC(=O)[C@H](C)C[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C1CC1 ZINC000245385466 697822303 /nfs/dbraw/zinc/82/23/03/697822303.db2.gz CVZPFFVZVFHNLJ-MRVWCRGKSA-N 1 1 320.389 1.169 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000245418055 697823043 /nfs/dbraw/zinc/82/30/43/697823043.db2.gz KOMUVLSVHGVQFM-ZIAGYGMSSA-N 1 1 310.442 1.327 10 0 DDAEMO CCCn1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cn1 ZINC000246210237 698345462 /nfs/dbraw/zinc/34/54/62/698345462.db2.gz FHMGIIOGJRTARG-TZMCWYRMSA-N 1 1 321.425 1.077 10 0 DDAEMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000248897197 698383097 /nfs/dbraw/zinc/38/30/97/698383097.db2.gz BUKMQNBIQPGKTM-CHWSQXEVSA-N 1 1 311.426 1.454 10 0 DDAEMO C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000719394557 699301245 /nfs/dbraw/zinc/30/12/45/699301245.db2.gz AZGXGNDXMPXVNU-JQHSSLGASA-N 1 1 304.434 1.902 10 0 DDAEMO C[C@H](COCc1ccccc1)CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000719394557 699301249 /nfs/dbraw/zinc/30/12/49/699301249.db2.gz AZGXGNDXMPXVNU-JQHSSLGASA-N 1 1 304.434 1.902 10 0 DDAEMO Cc1ocnc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000886041061 708687437 /nfs/dbraw/zinc/68/74/37/708687437.db2.gz KVTMUHOOIPCQDV-SWLSCSKDSA-N 1 1 317.393 1.529 10 0 DDAEMO Cc1[nH]ncc1C[NH2+]C[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000886079929 708694206 /nfs/dbraw/zinc/69/42/06/708694206.db2.gz NBGJDGXDPZTOFS-WBMJQRKESA-N 1 1 316.409 1.151 10 0 DDAEMO CCN1CCO[C@@H](C[NH2+]Cc2n[nH]cc2C)[C@@H]1c1nccn1C ZINC000886081973 708694477 /nfs/dbraw/zinc/69/44/77/708694477.db2.gz OFBWYCXCJQDWQT-LSDHHAIUSA-N 1 1 318.425 1.003 10 0 DDAEMO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2ncc[nH]2)C1 ZINC000886082533 708694810 /nfs/dbraw/zinc/69/48/10/708694810.db2.gz MAMGINTVSAHDEK-KFWWJZLASA-N 1 1 320.437 1.443 10 0 DDAEMO CCn1nc(C)c(C[N@H+]2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)c1C ZINC000886093782 708697024 /nfs/dbraw/zinc/69/70/24/708697024.db2.gz HVPZULYVAJYALM-GOEBONIOSA-N 1 1 318.425 1.263 10 0 DDAEMO Cc1cc(=O)[nH]c2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)cc12 ZINC000898942512 708930651 /nfs/dbraw/zinc/93/06/51/708930651.db2.gz ULEWXEHCUDKFRP-IAQYHMDHSA-N 1 1 315.373 1.906 10 0 DDAEMO Cc1cc(=O)[nH]c2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)cc12 ZINC000898942512 708930654 /nfs/dbraw/zinc/93/06/54/708930654.db2.gz ULEWXEHCUDKFRP-IAQYHMDHSA-N 1 1 315.373 1.906 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCN1C(=O)C(C)=C(C)C1=O ZINC000900927733 709831965 /nfs/dbraw/zinc/83/19/65/709831965.db2.gz QZRZXWISAPXAJG-CQSZACIVSA-N 1 1 321.421 1.024 10 0 DDAEMO CCOCCCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248430610 282082564 /nfs/dbraw/zinc/08/25/64/282082564.db2.gz BBSDMNNXAOBRMD-LSDHHAIUSA-N 1 1 315.458 1.290 10 0 DDAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000248449699 282083686 /nfs/dbraw/zinc/08/36/86/282083686.db2.gz IMXYAXYOTMWWBN-XUWVNRHRSA-N 1 1 311.470 1.909 10 0 DDAEMO CC[NH+]1CCN(C(=O)c2c(=O)on(C)c2-c2ccccc2)CC1 ZINC000074661136 185006438 /nfs/dbraw/zinc/00/64/38/185006438.db2.gz ZJOPFRBVFXUOMU-UHFFFAOYSA-N 1 1 315.373 1.423 10 0 DDAEMO Cc1cnn(C[C@H]2C[N@H+](CCO[C@H]3CCCCO3)CCO2)c1 ZINC000248587722 282092237 /nfs/dbraw/zinc/09/22/37/282092237.db2.gz QLZONMVNTKUGRQ-CVEARBPZSA-N 1 1 309.410 1.436 10 0 DDAEMO Cc1cnn(C[C@H]2C[N@@H+](CCO[C@H]3CCCCO3)CCO2)c1 ZINC000248587722 282092242 /nfs/dbraw/zinc/09/22/42/282092242.db2.gz QLZONMVNTKUGRQ-CVEARBPZSA-N 1 1 309.410 1.436 10 0 DDAEMO CCCS(=O)(=O)C[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000081941593 192343814 /nfs/dbraw/zinc/34/38/14/192343814.db2.gz GIUAZRNCFKEFKS-CYBMUJFWSA-N 1 1 301.408 1.789 10 0 DDAEMO COc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cn1 ZINC000249628855 282187578 /nfs/dbraw/zinc/18/75/78/282187578.db2.gz URXCBDJXAAOXOY-WCQYABFASA-N 1 1 313.423 1.097 10 0 DDAEMO Cc1nc(C(=O)N2CC[NH+](C(C)(C)C(N)=S)CC2)cs1 ZINC000087428586 185224533 /nfs/dbraw/zinc/22/45/33/185224533.db2.gz JHPAUNCFCWBJAT-UHFFFAOYSA-N 1 1 312.464 1.274 10 0 DDAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1C ZINC000181997682 539238710 /nfs/dbraw/zinc/23/87/10/539238710.db2.gz ITZWQUNGYRKCSM-CHWSQXEVSA-N 1 1 321.425 1.212 10 0 DDAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1C ZINC000181997682 539238711 /nfs/dbraw/zinc/23/87/11/539238711.db2.gz ITZWQUNGYRKCSM-CHWSQXEVSA-N 1 1 321.425 1.212 10 0 DDAEMO CC[C@H](C(N)=S)S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000088487039 185253417 /nfs/dbraw/zinc/25/34/17/185253417.db2.gz MTTYHTLAOZOAFI-NWDGAFQWSA-N 1 1 321.512 1.235 10 0 DDAEMO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C=O)o2)CC1 ZINC000088541495 185255783 /nfs/dbraw/zinc/25/57/83/185255783.db2.gz 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CC(C)c1noc(CCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000113233071 194567778 /nfs/dbraw/zinc/56/77/78/194567778.db2.gz PNNMIWIWAJCYKC-CHWSQXEVSA-N 1 1 306.410 1.821 10 0 DDAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCc1cnn(C)c1C ZINC000120744930 195229080 /nfs/dbraw/zinc/22/90/80/195229080.db2.gz LBOPKZVLIFYYEG-INIZCTEOSA-N 1 1 315.421 1.857 10 0 DDAEMO OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1ccc2nccnc2n1 ZINC000301591915 285290384 /nfs/dbraw/zinc/29/03/84/285290384.db2.gz YKIVTNOBNLDGFP-UONOGXRCSA-N 1 1 313.405 1.450 10 0 DDAEMO COc1ccc(CN2C[C@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc1 ZINC000247995304 257113002 /nfs/dbraw/zinc/11/30/02/257113002.db2.gz MNEKLAOOCUFVTC-ZWKOTPCHSA-N 1 1 319.449 1.142 10 0 DDAEMO CC[N@H+]1CC[C@]2(C(=O)N3CCCC3)CCN(C(C)=O)CC[C@H]12 ZINC000247950098 257114138 /nfs/dbraw/zinc/11/41/38/257114138.db2.gz QFORLSLXMSTLDM-RDJZCZTQSA-N 1 1 307.438 1.332 10 0 DDAEMO COCC[N@@H+]1C[C@H]2C[NH+](Cc3ccoc3)CCC[C@@]2(C(=O)[O-])C1 ZINC000247885204 257115442 /nfs/dbraw/zinc/11/54/42/257115442.db2.gz RGNUUMAMHLPFLC-NVXWUHKLSA-N 1 1 322.405 1.525 10 0 DDAEMO COCC[N@H+]1C[C@H]2C[NH+](Cc3ccoc3)CCC[C@@]2(C(=O)[O-])C1 ZINC000247885204 257115443 /nfs/dbraw/zinc/11/54/43/257115443.db2.gz RGNUUMAMHLPFLC-NVXWUHKLSA-N 1 1 322.405 1.525 10 0 DDAEMO COCC[NH+]1C[C@H]2C[N@H+](Cc3ccoc3)CCC[C@@]2(C(=O)[O-])C1 ZINC000247885204 257115444 /nfs/dbraw/zinc/11/54/44/257115444.db2.gz RGNUUMAMHLPFLC-NVXWUHKLSA-N 1 1 322.405 1.525 10 0 DDAEMO COCC[NH+]1C[C@H]2C[N@@H+](Cc3ccoc3)CCC[C@@]2(C(=O)[O-])C1 ZINC000247885204 257115445 /nfs/dbraw/zinc/11/54/45/257115445.db2.gz RGNUUMAMHLPFLC-NVXWUHKLSA-N 1 1 322.405 1.525 10 0 DDAEMO O=C1[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2CCN1Cc1cccnc1 ZINC000247853461 257116300 /nfs/dbraw/zinc/11/63/00/257116300.db2.gz IIMPMNQWCNHPSR-QZTJIDSGSA-N 1 1 322.412 1.957 10 0 DDAEMO O=C(C1CCC1)N1C[C@@H]2C[N@@H+](CCN3CCCC3)CC[C@@H]2C1 ZINC000247799502 257117507 /nfs/dbraw/zinc/11/75/07/257117507.db2.gz FCQFRNHUQKBWTK-SJORKVTESA-N 1 1 305.466 1.663 10 0 DDAEMO O=C(C1CCC1)N1C[C@@H]2C[N@H+](CCN3CCCC3)CC[C@@H]2C1 ZINC000247799502 257117509 /nfs/dbraw/zinc/11/75/09/257117509.db2.gz FCQFRNHUQKBWTK-SJORKVTESA-N 1 1 305.466 1.663 10 0 DDAEMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)[C@H]2CCCO[C@@H]12)C1CC1 ZINC000247442852 257119237 /nfs/dbraw/zinc/11/92/37/257119237.db2.gz XTDHXOSAOXIPQX-IKGGRYGDSA-N 1 1 300.402 1.945 10 0 DDAEMO O=S1(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC[C@H]2Oc2ccccc21 ZINC000247339458 257119983 /nfs/dbraw/zinc/11/99/83/257119983.db2.gz RTNREXBUOZHRCA-ZIAGYGMSSA-N 1 1 322.430 1.600 10 0 DDAEMO c1ccc(CO[C@H]2C[C@H]3CN(c4ncccn4)CC[N@H+]3C2)cc1 ZINC000299841773 257103621 /nfs/dbraw/zinc/10/36/21/257103621.db2.gz HVYSMBSNGDTLNB-IRXDYDNUSA-N 1 1 310.401 1.956 10 0 DDAEMO CC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000012756657 406850670 /nfs/dbraw/zinc/85/06/70/406850670.db2.gz QIYMSHLGDJTBCB-MRXNPFEDSA-N 1 1 303.406 1.246 10 0 DDAEMO O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000076106982 406956009 /nfs/dbraw/zinc/95/60/09/406956009.db2.gz ZJZCKEYJKSJFHT-LSDHHAIUSA-N 1 1 317.389 1.126 10 0 DDAEMO NC(=O)C[NH+]1CCC(Nc2ccc(Br)cn2)CC1 ZINC000038007325 406997224 /nfs/dbraw/zinc/99/72/24/406997224.db2.gz UCMFIRKLJJUFCV-UHFFFAOYSA-N 1 1 313.199 1.206 10 0 DDAEMO CCOC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000068046112 407294528 /nfs/dbraw/zinc/29/45/28/407294528.db2.gz MPRQBYSEZSPLAV-DLBZAZTESA-N 1 1 321.417 1.982 10 0 DDAEMO CCOC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000068046112 407294529 /nfs/dbraw/zinc/29/45/29/407294529.db2.gz MPRQBYSEZSPLAV-DLBZAZTESA-N 1 1 321.417 1.982 10 0 DDAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3cccs3)CC2)C1 ZINC000122533224 407304060 /nfs/dbraw/zinc/30/40/60/407304060.db2.gz ARLPKDANVVPZCL-MRXNPFEDSA-N 1 1 323.506 1.975 10 0 DDAEMO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000101563864 407311091 /nfs/dbraw/zinc/31/10/91/407311091.db2.gz IXULVFCXMLPHTD-LSDHHAIUSA-N 1 1 311.470 1.918 10 0 DDAEMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000101563864 407311093 /nfs/dbraw/zinc/31/10/93/407311093.db2.gz IXULVFCXMLPHTD-LSDHHAIUSA-N 1 1 311.470 1.918 10 0 DDAEMO CNC(=O)c1ccc(CN2CC[N@@H+](CCOC)[C@@H](C)C2)cc1 ZINC000109005445 407393630 /nfs/dbraw/zinc/39/36/30/407393630.db2.gz KFCWUXAVENXFNI-AWEZNQCLSA-N 1 1 305.422 1.199 10 0 DDAEMO CNC(=O)c1ccc(C[N@@H+]2CCN(CCOC)[C@@H](C)C2)cc1 ZINC000109005445 407393632 /nfs/dbraw/zinc/39/36/32/407393632.db2.gz KFCWUXAVENXFNI-AWEZNQCLSA-N 1 1 305.422 1.199 10 0 DDAEMO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)CN1CCCC1=O ZINC000111683367 407413892 /nfs/dbraw/zinc/41/38/92/407413892.db2.gz HXTBNESINNQZAQ-AWEZNQCLSA-N 1 1 320.389 1.221 10 0 DDAEMO COC[C@H](O)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000126675045 407419137 /nfs/dbraw/zinc/41/91/37/407419137.db2.gz JJTNKPUEDBSILU-KGLIPLIRSA-N 1 1 314.451 1.061 10 0 DDAEMO CCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000170651834 407465944 /nfs/dbraw/zinc/46/59/44/407465944.db2.gz MEEJCOGOFPYYIC-DLBZAZTESA-N 1 1 304.434 1.971 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000113227904 407477205 /nfs/dbraw/zinc/47/72/05/407477205.db2.gz MHUMTMHTYORWNK-SWLSCSKDSA-N 1 1 313.401 1.880 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000113232134 407480600 /nfs/dbraw/zinc/48/06/00/407480600.db2.gz VGVHCOBWILMLNR-DGCLKSJQSA-N 1 1 315.373 1.326 10 0 DDAEMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2nncn2C)C1 ZINC000195251518 407446680 /nfs/dbraw/zinc/44/66/80/407446680.db2.gz RGCJMFZQWAPUBJ-CYBMUJFWSA-N 1 1 320.466 1.534 10 0 DDAEMO O=C(NCCCc1ccccn1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000178414353 407449306 /nfs/dbraw/zinc/44/93/06/407449306.db2.gz XAPWTNHLUSPNGS-MRXNPFEDSA-N 1 1 302.422 1.894 10 0 DDAEMO Cc1ccc(C(=O)Nc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000224251463 407576319 /nfs/dbraw/zinc/57/63/19/407576319.db2.gz JNPKILQAJHBAIC-UHFFFAOYSA-N 1 1 311.389 1.789 10 0 DDAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000178746754 407581745 /nfs/dbraw/zinc/58/17/45/407581745.db2.gz DLEMRVXRTRMHGW-INIZCTEOSA-N 1 1 323.400 1.864 10 0 DDAEMO CC(C)N1CC[C@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1=O ZINC000114657241 407596666 /nfs/dbraw/zinc/59/66/66/407596666.db2.gz RSMKMRRCCVDMQB-HOTGVXAUSA-N 1 1 317.433 1.285 10 0 DDAEMO Cn1cc([C@@H]2CCC[N@@H+]2CCN2C(=O)c3ccccc3C2=O)cn1 ZINC000171413526 407684413 /nfs/dbraw/zinc/68/44/13/407684413.db2.gz IXLCCWJWVHJUNT-INIZCTEOSA-N 1 1 324.384 1.853 10 0 DDAEMO Cn1cc([C@@H]2CCC[N@H+]2CCN2C(=O)c3ccccc3C2=O)cn1 ZINC000171413526 407684419 /nfs/dbraw/zinc/68/44/19/407684419.db2.gz IXLCCWJWVHJUNT-INIZCTEOSA-N 1 1 324.384 1.853 10 0 DDAEMO Cc1ccc(N(C)C2CCN(C[C@H]3CCC[NH2+]C3)CC2)nn1 ZINC000261965528 407695712 /nfs/dbraw/zinc/69/57/12/407695712.db2.gz PVSSCCCHAAXJTK-HNNXBMFYSA-N 1 1 303.454 1.685 10 0 DDAEMO CCOC(=O)NCC(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000171601141 407715935 /nfs/dbraw/zinc/71/59/35/407715935.db2.gz FVQZYKLVNNJHCG-LBPRGKRZSA-N 1 1 308.382 1.355 10 0 DDAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCC(=O)N1CCCCC1 ZINC000179107719 407722446 /nfs/dbraw/zinc/72/24/46/407722446.db2.gz YVKBBHLCKPHUTG-OAHLLOKOSA-N 1 1 324.469 1.419 10 0 DDAEMO COC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262210570 407766150 /nfs/dbraw/zinc/76/61/50/407766150.db2.gz DXFZWFQOFOUGSW-XJKSGUPXSA-N 1 1 305.422 1.831 10 0 DDAEMO COC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262210570 407766156 /nfs/dbraw/zinc/76/61/56/407766156.db2.gz DXFZWFQOFOUGSW-XJKSGUPXSA-N 1 1 305.422 1.831 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccccc2O)C[C@H]1CC ZINC000116977232 407804903 /nfs/dbraw/zinc/80/49/03/407804903.db2.gz NREFGFFBSDIHSJ-CQSZACIVSA-N 1 1 306.406 1.965 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2ccccc2O)C[C@H]1CC ZINC000116977232 407804904 /nfs/dbraw/zinc/80/49/04/407804904.db2.gz NREFGFFBSDIHSJ-CQSZACIVSA-N 1 1 306.406 1.965 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2)C[C@H]1C ZINC000117275355 407818877 /nfs/dbraw/zinc/81/88/77/407818877.db2.gz OPGYNJUNMJAKPR-CQSZACIVSA-N 1 1 308.397 1.937 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)Cc2ccc(F)cc2)C[C@H]1C ZINC000117275355 407818882 /nfs/dbraw/zinc/81/88/82/407818882.db2.gz OPGYNJUNMJAKPR-CQSZACIVSA-N 1 1 308.397 1.937 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2cccc(OC)c2)C[C@@H]1C ZINC000117281924 407819296 /nfs/dbraw/zinc/81/92/96/407819296.db2.gz CKBZEKKNBMHNJJ-AWEZNQCLSA-N 1 1 306.406 1.878 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2cccc(OC)c2)C[C@@H]1C ZINC000117281924 407819304 /nfs/dbraw/zinc/81/93/04/407819304.db2.gz CKBZEKKNBMHNJJ-AWEZNQCLSA-N 1 1 306.406 1.878 10 0 DDAEMO CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CC[N@H+]1CCOC ZINC000117308366 407825628 /nfs/dbraw/zinc/82/56/28/407825628.db2.gz OEQVPPQZUWHGHD-CVEARBPZSA-N 1 1 312.454 1.905 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)Cc2ccccc2OC)C[C@H]1C ZINC000117295628 407827014 /nfs/dbraw/zinc/82/70/14/407827014.db2.gz FCOXAMAZIUKNMX-CQSZACIVSA-N 1 1 306.406 1.417 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)Cc2ccccc2OC)C[C@H]1C ZINC000117295628 407827018 /nfs/dbraw/zinc/82/70/18/407827018.db2.gz FCOXAMAZIUKNMX-CQSZACIVSA-N 1 1 306.406 1.417 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)[C@@H](C)c2cccc(OC)c2)C[C@@H]1C ZINC000117296454 407828035 /nfs/dbraw/zinc/82/80/35/407828035.db2.gz VRRMKICYXIGNKV-GJZGRUSLSA-N 1 1 320.433 1.978 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)[C@@H](C)c2cccc(OC)c2)C[C@@H]1C ZINC000117296454 407828038 /nfs/dbraw/zinc/82/80/38/407828038.db2.gz VRRMKICYXIGNKV-GJZGRUSLSA-N 1 1 320.433 1.978 10 0 DDAEMO Cc1c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cnn1C1CCOCC1 ZINC000179813915 407836470 /nfs/dbraw/zinc/83/64/70/407836470.db2.gz ZUKHMOQEOXOFAB-OAHLLOKOSA-N 1 1 318.421 1.463 10 0 DDAEMO Cc1cnn(CCNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000118065238 407879872 /nfs/dbraw/zinc/87/98/72/407879872.db2.gz DUGKPSKRKYJTEU-ZFWWWQNUSA-N 1 1 307.442 1.611 10 0 DDAEMO CCOC(=O)C[C@H](C)CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000134381151 407897253 /nfs/dbraw/zinc/89/72/53/407897253.db2.gz DKYXCCPJDDTDDW-MELADBBJSA-N 1 1 313.442 1.604 10 0 DDAEMO CCc1cc(=O)n2nc(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)sc2n1 ZINC000133496933 407850307 /nfs/dbraw/zinc/85/03/07/407850307.db2.gz UXFXBDLKUDKQLJ-GXSJLCMTSA-N 1 1 319.434 1.751 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C ZINC000245422337 407973877 /nfs/dbraw/zinc/97/38/77/407973877.db2.gz PKUFEXSWWARRFZ-OLZOCXBDSA-N 1 1 301.390 1.695 10 0 DDAEMO COC[C@H](C)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188169355 407922361 /nfs/dbraw/zinc/92/23/61/407922361.db2.gz UTWGSMQVGGTCCC-YJBOKZPZSA-N 1 1 320.433 1.364 10 0 DDAEMO CC[C@@H]1CN(CCO[C@@H]2CCCCO2)CC[N@H+]1CCOC ZINC000181688870 408027644 /nfs/dbraw/zinc/02/76/44/408027644.db2.gz JJGVGDVQEKVMPH-HZPDHXFCSA-N 1 1 300.443 1.572 10 0 DDAEMO CC[C@@H]1C[N@@H+](CCO[C@@H]2CCCCO2)CCN1CCOC ZINC000181688870 408027656 /nfs/dbraw/zinc/02/76/56/408027656.db2.gz JJGVGDVQEKVMPH-HZPDHXFCSA-N 1 1 300.443 1.572 10 0 DDAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2cccc(O)c2)CC1 ZINC000181752119 408034419 /nfs/dbraw/zinc/03/44/19/408034419.db2.gz ROQBQCHYEPVEQD-UKRRQHHQSA-N 1 1 321.421 1.551 10 0 DDAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1Cc1nsc(N(C)C)n1 ZINC000154555852 408051357 /nfs/dbraw/zinc/05/13/57/408051357.db2.gz XXGJSMAREWFWDQ-LBPRGKRZSA-N 1 1 306.439 1.774 10 0 DDAEMO C[N@@H+](CCNC(=O)N1CCC[C@H](n2cncn2)C1)C1CCCC1 ZINC000174758140 407987048 /nfs/dbraw/zinc/98/70/48/407987048.db2.gz ITDCJVFMOXBROU-HNNXBMFYSA-N 1 1 320.441 1.499 10 0 DDAEMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263017083 408004191 /nfs/dbraw/zinc/00/41/91/408004191.db2.gz QLVLFIOITCHCNL-CABCVRRESA-N 1 1 323.387 1.764 10 0 DDAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCCC(=O)NC(C)C ZINC000119405766 408062349 /nfs/dbraw/zinc/06/23/49/408062349.db2.gz NXEIQDBMKIKHCI-OAHLLOKOSA-N 1 1 311.470 1.918 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1OC ZINC000175396255 408121061 /nfs/dbraw/zinc/12/10/61/408121061.db2.gz DADFHZWPECGGJD-CYBMUJFWSA-N 1 1 312.435 1.800 10 0 DDAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCN1CCOC1=O ZINC000246109793 408145122 /nfs/dbraw/zinc/14/51/22/408145122.db2.gz HTDSWMMHDINWMW-KBPBESRZSA-N 1 1 324.425 1.097 10 0 DDAEMO CCCn1nc(C)c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1C ZINC000120961403 408150489 /nfs/dbraw/zinc/15/04/89/408150489.db2.gz VQYZBMNZGAVGNL-INIZCTEOSA-N 1 1 306.454 1.816 10 0 DDAEMO C[N@@H+](C[C@H](O)COCc1ccc(Cl)cc1)CC1(CO)CC1 ZINC000190041509 408155065 /nfs/dbraw/zinc/15/50/65/408155065.db2.gz IJEOQWBQNHPLOT-HNNXBMFYSA-N 1 1 313.825 1.922 10 0 DDAEMO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175587788 408169935 /nfs/dbraw/zinc/16/99/35/408169935.db2.gz ZAYHSDHIXKWITC-PMPSAXMXSA-N 1 1 309.454 1.040 10 0 DDAEMO CC(C)C[C@H](C)OCCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246201414 408176026 /nfs/dbraw/zinc/17/60/26/408176026.db2.gz RAQODWJNCDKXOQ-PMPSAXMXSA-N 1 1 314.470 1.741 10 0 DDAEMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000246238771 408188458 /nfs/dbraw/zinc/18/84/58/408188458.db2.gz SRNZGACQNJBBIF-UONOGXRCSA-N 1 1 312.458 1.321 10 0 DDAEMO Cc1nnc(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1C1CC1 ZINC000246387964 408241436 /nfs/dbraw/zinc/24/14/36/408241436.db2.gz IPDNEFCMVNYKRY-DOMZBBRYSA-N 1 1 305.426 1.074 10 0 DDAEMO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(CO)cc3)CCO2)n1 ZINC000182758491 408241885 /nfs/dbraw/zinc/24/18/85/408241885.db2.gz QMHIGGVANGCQPU-GOSISDBHSA-N 1 1 315.417 1.893 10 0 DDAEMO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(CO)cc3)CCO2)n1 ZINC000182758491 408241887 /nfs/dbraw/zinc/24/18/87/408241887.db2.gz QMHIGGVANGCQPU-GOSISDBHSA-N 1 1 315.417 1.893 10 0 DDAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)CC2)cn1 ZINC000176011426 408266536 /nfs/dbraw/zinc/26/65/36/408266536.db2.gz MXKFBNXUZODHCL-IAGOWNOFSA-N 1 1 316.449 1.983 10 0 DDAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)CC2)cn1 ZINC000176011426 408266543 /nfs/dbraw/zinc/26/65/43/408266543.db2.gz MXKFBNXUZODHCL-IAGOWNOFSA-N 1 1 316.449 1.983 10 0 DDAEMO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246469852 408262238 /nfs/dbraw/zinc/26/22/38/408262238.db2.gz QAEMUUQYNCMTCM-IUODEOHRSA-N 1 1 321.396 1.918 10 0 DDAEMO CC[C@@H]1CN([C@@H](C(=O)OC)c2cccnc2)CC[N@H+]1CCOC ZINC000246305844 408212260 /nfs/dbraw/zinc/21/22/60/408212260.db2.gz AVKGCEKENVNIAA-HZPDHXFCSA-N 1 1 321.421 1.338 10 0 DDAEMO COCC[N@@H+](C)CCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182654080 408214721 /nfs/dbraw/zinc/21/47/21/408214721.db2.gz CORBWMUUACEPEP-AWEZNQCLSA-N 1 1 309.414 1.225 10 0 DDAEMO Cc1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1C(N)=O ZINC000246356828 408230501 /nfs/dbraw/zinc/23/05/01/408230501.db2.gz IFDWGRXVKIBFDL-DOMZBBRYSA-N 1 1 318.421 1.944 10 0 DDAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000246672760 408315213 /nfs/dbraw/zinc/31/52/13/408315213.db2.gz HYMATLWMAWACDB-ZOBUZTSGSA-N 1 1 319.449 1.203 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000246672760 408315215 /nfs/dbraw/zinc/31/52/15/408315215.db2.gz HYMATLWMAWACDB-ZOBUZTSGSA-N 1 1 319.449 1.203 10 0 DDAEMO CCc1oc(C(=O)OC)cc1CN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000246510456 408277840 /nfs/dbraw/zinc/27/78/40/408277840.db2.gz ZYLUVNWSHQAUEZ-ZDUSSCGKSA-N 1 1 324.421 1.781 10 0 DDAEMO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(F)c1 ZINC000246567126 408293331 /nfs/dbraw/zinc/29/33/31/408293331.db2.gz XCRAZXWAQGVIKG-IUODEOHRSA-N 1 1 321.396 1.918 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1-n1ccnn1 ZINC000182982912 408298004 /nfs/dbraw/zinc/29/80/04/408298004.db2.gz ICPGCGHFNXVJDC-CQSZACIVSA-N 1 1 313.405 1.824 10 0 DDAEMO COc1ccc(CC[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246614413 408304641 /nfs/dbraw/zinc/30/46/41/408304641.db2.gz YICHVFLNWADPDB-MAUKXSAKSA-N 1 1 304.434 1.890 10 0 DDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC(=O)Nc2ccccc2)C1 ZINC000246765078 408337232 /nfs/dbraw/zinc/33/72/32/408337232.db2.gz BXTWLFMORDXXBH-DZGCQCFKSA-N 1 1 318.421 1.653 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccccc2Cl)C[C@H]1C ZINC000246834166 408350457 /nfs/dbraw/zinc/35/04/57/408350457.db2.gz UAELGPWWETVHBE-OLZOCXBDSA-N 1 1 310.825 1.796 10 0 DDAEMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246828434 408351465 /nfs/dbraw/zinc/35/14/65/408351465.db2.gz CQLPNLJKEASGGK-ZACQAIPSSA-N 1 1 323.481 1.430 10 0 DDAEMO CC[C@H]1CN(C(=O)Cc2ccccc2C)CC[N@H+]1C[C@H](C)O ZINC000246899181 408361101 /nfs/dbraw/zinc/36/11/01/408361101.db2.gz PJYJZPZQCLKZKO-RDJZCZTQSA-N 1 1 304.434 1.841 10 0 DDAEMO CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000246839993 408353694 /nfs/dbraw/zinc/35/36/94/408353694.db2.gz CKBQZSLFHSOTPJ-QWHCGFSZSA-N 1 1 311.426 1.502 10 0 DDAEMO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)NCC1CCCCC1 ZINC000171616066 162230232 /nfs/dbraw/zinc/23/02/32/162230232.db2.gz RQKKPKZQXQTZNH-HNNXBMFYSA-N 1 1 305.426 1.612 10 0 DDAEMO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)NCC1CCCCC1 ZINC000171616066 162230234 /nfs/dbraw/zinc/23/02/34/162230234.db2.gz RQKKPKZQXQTZNH-HNNXBMFYSA-N 1 1 305.426 1.612 10 0 DDAEMO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1)C1CC1 ZINC000246875607 408357709 /nfs/dbraw/zinc/35/77/09/408357709.db2.gz FRNBKGUDTSKPNU-DZGCQCFKSA-N 1 1 316.449 1.999 10 0 DDAEMO COc1cc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1O ZINC000171900167 162246389 /nfs/dbraw/zinc/24/63/89/162246389.db2.gz SPZXNJLQOJTLSM-CYBMUJFWSA-N 1 1 305.378 1.390 10 0 DDAEMO O=C(NCCCOC1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173501744 162343570 /nfs/dbraw/zinc/34/35/70/162343570.db2.gz MAWCLSHPZOTIGR-CQSZACIVSA-N 1 1 311.426 1.062 10 0 DDAEMO CC[C@@H]1CN(C(=O)CCC2CCOCC2)CC[N@H+]1CCOC ZINC000173550809 162348959 /nfs/dbraw/zinc/34/89/59/162348959.db2.gz FKMAOEOZCMEQFX-MRXNPFEDSA-N 1 1 312.454 1.762 10 0 DDAEMO CC1CCC(NC(=O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173934358 162377282 /nfs/dbraw/zinc/37/72/82/162377282.db2.gz PIXHKSWAOAEKHE-GPANFISMSA-N 1 1 309.454 1.088 10 0 DDAEMO CC1CCC(NC(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173934358 162377285 /nfs/dbraw/zinc/37/72/85/162377285.db2.gz PIXHKSWAOAEKHE-GPANFISMSA-N 1 1 309.454 1.088 10 0 DDAEMO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173946737 162379557 /nfs/dbraw/zinc/37/95/57/162379557.db2.gz BENFFYRRXMIHSQ-KGLIPLIRSA-N 1 1 323.462 1.159 10 0 DDAEMO C[C@H](C(=O)NCc1cccs1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173946737 162379562 /nfs/dbraw/zinc/37/95/62/162379562.db2.gz BENFFYRRXMIHSQ-KGLIPLIRSA-N 1 1 323.462 1.159 10 0 DDAEMO COCC[N@@H+]1CCN(CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000246998843 408383824 /nfs/dbraw/zinc/38/38/24/408383824.db2.gz BJEZCSQSKYZVAI-INIZCTEOSA-N 1 1 319.449 1.894 10 0 DDAEMO COCC[N@H+]1CCN(CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000246998843 408383827 /nfs/dbraw/zinc/38/38/27/408383827.db2.gz BJEZCSQSKYZVAI-INIZCTEOSA-N 1 1 319.449 1.894 10 0 DDAEMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)NCc1cc(F)cc(F)c1 ZINC000247358842 408457522 /nfs/dbraw/zinc/45/75/22/408457522.db2.gz HDZYZGXFWXEQKH-HNNXBMFYSA-N 1 1 309.360 1.361 10 0 DDAEMO CC(C)OC(=O)[C@@H](C)CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247021178 408391381 /nfs/dbraw/zinc/39/13/81/408391381.db2.gz PECGFVZTVLTGCC-KBPBESRZSA-N 1 1 311.426 1.454 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NCc1ccccc1F ZINC000247059015 408400357 /nfs/dbraw/zinc/40/03/57/408400357.db2.gz HGCTYEFFIXSZOK-ZFWWWQNUSA-N 1 1 305.397 1.610 10 0 DDAEMO CCOCC[N@H+]1CCN(C[C@H](O)COc2ccccc2)C[C@H]1C ZINC000247083823 408403286 /nfs/dbraw/zinc/40/32/86/408403286.db2.gz HDVOKDGAASWCMS-SJORKVTESA-N 1 1 322.449 1.469 10 0 DDAEMO CCOCCN1CC[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1C ZINC000247083823 408403289 /nfs/dbraw/zinc/40/32/89/408403289.db2.gz HDVOKDGAASWCMS-SJORKVTESA-N 1 1 322.449 1.469 10 0 DDAEMO CCOCCN1CC[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1C ZINC000247083823 408403293 /nfs/dbraw/zinc/40/32/93/408403293.db2.gz HDVOKDGAASWCMS-SJORKVTESA-N 1 1 322.449 1.469 10 0 DDAEMO Cc1nn(C)c(C)c1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176619899 408403383 /nfs/dbraw/zinc/40/33/83/408403383.db2.gz 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COc1ccc(OC)c([C@H]([NH3+])CS(=O)(=O)CC(C)C)c1 ZINC000081929340 192341762 /nfs/dbraw/zinc/34/17/62/192341762.db2.gz NAOCJKLHGANCGD-CYBMUJFWSA-N 1 1 301.408 1.774 10 0 DDAEMO CCCN[C@@](C)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435112 185250132 /nfs/dbraw/zinc/25/01/32/185250132.db2.gz DHFZTUASIDULIR-AAEUAGOBSA-N 1 1 309.376 1.894 10 0 DDAEMO CCCN[C@@](C)(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435112 185250133 /nfs/dbraw/zinc/25/01/33/185250133.db2.gz DHFZTUASIDULIR-AAEUAGOBSA-N 1 1 309.376 1.894 10 0 DDAEMO COCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C)o1 ZINC000088544342 185256561 /nfs/dbraw/zinc/25/65/61/185256561.db2.gz XPZPMZYTDZZEOB-UHFFFAOYSA-N 1 1 318.439 1.682 10 0 DDAEMO CC[C@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]CCOC)o1 ZINC000088543715 185256594 /nfs/dbraw/zinc/25/65/94/185256594.db2.gz JGGVIICTTDFLLV-NSHDSACASA-N 1 1 304.412 1.435 10 0 DDAEMO CC(C)(C)n1c2ccncc2nc1[C@@H]([NH3+])CCS(C)(=O)=O ZINC000088866505 185267431 /nfs/dbraw/zinc/26/74/31/185267431.db2.gz BXIZSSCTMCLHHR-JTQLQIEISA-N 1 1 310.423 1.621 10 0 DDAEMO Cc1nc(C)c(CN2CCC[C@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000088868364 185267567 /nfs/dbraw/zinc/26/75/67/185267567.db2.gz YOGAJRWXDNAMJM-ZDUSSCGKSA-N 1 1 308.451 1.156 10 0 DDAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@H](c2cn[nH]c2)C1 ZINC000616682316 362778835 /nfs/dbraw/zinc/77/88/35/362778835.db2.gz YIUXVRUCDIYIFG-ZDUSSCGKSA-N 1 1 310.398 1.698 10 0 DDAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@H](c2cn[nH]c2)C1 ZINC000616682316 362778838 /nfs/dbraw/zinc/77/88/38/362778838.db2.gz YIUXVRUCDIYIFG-ZDUSSCGKSA-N 1 1 310.398 1.698 10 0 DDAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)COc1ccccc1O ZINC000152503906 186079960 /nfs/dbraw/zinc/07/99/60/186079960.db2.gz UZLSFAYQXVROMO-AWEZNQCLSA-N 1 1 315.373 1.967 10 0 DDAEMO Cc1csc(CNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000175645477 186184083 /nfs/dbraw/zinc/18/40/83/186184083.db2.gz BSWUZLBIHGOSQA-WCQYABFASA-N 1 1 324.450 1.314 10 0 DDAEMO NC(=O)c1ccc(F)c(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171890810 198002034 /nfs/dbraw/zinc/00/20/34/198002034.db2.gz NYRUZJAVIUYHOE-LLVKDONJSA-N 1 1 306.341 1.237 10 0 DDAEMO COc1ccc(CCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000171897273 198004130 /nfs/dbraw/zinc/00/41/30/198004130.db2.gz HUEXFYWMWHANEQ-HNNXBMFYSA-N 1 1 303.406 1.727 10 0 DDAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cncnc1OC ZINC000182040181 199378235 /nfs/dbraw/zinc/37/82/35/199378235.db2.gz QTBPJSRRMUFUNA-NWDGAFQWSA-N 1 1 305.382 1.576 10 0 DDAEMO C[C@H](COCc1ccccc1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000172974670 198172515 /nfs/dbraw/zinc/17/25/15/198172515.db2.gz UYGVORNQDUNHJS-HZPDHXFCSA-N 1 1 319.449 1.344 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000173883263 198263654 /nfs/dbraw/zinc/26/36/54/198263654.db2.gz YIPQHLBPPGRSHE-YGRLFVJLSA-N 1 1 318.389 1.972 10 0 DDAEMO Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173816794 198255812 /nfs/dbraw/zinc/25/58/12/198255812.db2.gz HGXDAUSZEXWNQN-WBVHZDCISA-N 1 1 302.418 1.717 10 0 DDAEMO C[C@H]1CN(C(=O)CCc2ccccc2O)C[C@H]1[NH+]1CCOCC1 ZINC000173961856 198273817 /nfs/dbraw/zinc/27/38/17/198273817.db2.gz XXBCFUXFCSSEAP-GOEBONIOSA-N 1 1 318.417 1.504 10 0 DDAEMO COCCNC(=O)C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000073051520 191273142 /nfs/dbraw/zinc/27/31/42/191273142.db2.gz ZMISQSNJCFVGOD-UHFFFAOYSA-N 1 1 306.284 1.437 10 0 DDAEMO CC[C@H]1CN(C(=O)c2cc(F)ccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000174620754 198361102 /nfs/dbraw/zinc/36/11/02/198361102.db2.gz AZCMVMCCMIGAEX-YPMHNXCESA-N 1 1 312.360 1.882 10 0 DDAEMO CC[C@H]1CN(C(=O)c2cc(F)ccc2F)CC[N@H+]1C[C@@H](C)O ZINC000174620754 198361104 /nfs/dbraw/zinc/36/11/04/198361104.db2.gz AZCMVMCCMIGAEX-YPMHNXCESA-N 1 1 312.360 1.882 10 0 DDAEMO COC(=O)c1ccccc1OCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000182150394 199393717 /nfs/dbraw/zinc/39/37/17/199393717.db2.gz NDMHELSJWDRCPW-CQSZACIVSA-N 1 1 304.390 1.632 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)CCCc2ccccn2)C[C@@H]1C ZINC000117286610 353993288 /nfs/dbraw/zinc/99/32/88/353993288.db2.gz YNWHQNILYXDEQU-HNNXBMFYSA-N 1 1 305.422 1.583 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)CCCc2ccccn2)C[C@@H]1C ZINC000117286610 353993292 /nfs/dbraw/zinc/99/32/92/353993292.db2.gz YNWHQNILYXDEQU-HNNXBMFYSA-N 1 1 305.422 1.583 10 0 DDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000248718519 354370470 /nfs/dbraw/zinc/37/04/70/354370470.db2.gz DAJMYSJRGGTUSG-CMPLNLGQSA-N 1 1 324.812 1.518 10 0 DDAEMO C[N@@H+](CC1CC1)C[C@H]1CN(C(=O)C[C@H]2CCCCO2)CCO1 ZINC000328653528 354560100 /nfs/dbraw/zinc/56/01/00/354560100.db2.gz WXDNRIROKRRJEQ-CVEARBPZSA-N 1 1 310.438 1.515 10 0 DDAEMO O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404112996 354673451 /nfs/dbraw/zinc/67/34/51/354673451.db2.gz KKKUBSSYAHLQRR-STQMWFEESA-N 1 1 316.810 1.091 10 0 DDAEMO CCCN(C)S(=O)(=O)N1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000247177337 283069402 /nfs/dbraw/zinc/06/94/02/283069402.db2.gz UZKWSJMRDXCCNC-AWEZNQCLSA-N 1 1 321.487 1.006 10 0 DDAEMO CCCN(C)S(=O)(=O)N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000247177337 283069403 /nfs/dbraw/zinc/06/94/03/283069403.db2.gz UZKWSJMRDXCCNC-AWEZNQCLSA-N 1 1 321.487 1.006 10 0 DDAEMO CC(=O)N1C[C@@H](CCNC(=O)[C@@H]2CSC[NH2+]2)c2ccccc21 ZINC000074894954 191381124 /nfs/dbraw/zinc/38/11/24/191381124.db2.gz CVFGNGURXOAZOF-OCCSQVGLSA-N 1 1 319.430 1.306 10 0 DDAEMO C[N@H+](CC(=O)N1CCCC1)C[C@@H](C(N)=S)c1ccccc1 ZINC000080797154 192192002 /nfs/dbraw/zinc/19/20/02/192192002.db2.gz ZISHJPAZBQJQDX-CQSZACIVSA-N 1 1 305.447 1.611 10 0 DDAEMO C[NH2+]Cc1c(F)ccc(S(=O)(=O)N2CCC[C@H]2C)c1F ZINC000088972246 192675806 /nfs/dbraw/zinc/67/58/06/192675806.db2.gz LWDAFTCOBRKRKC-SECBINFHSA-N 1 1 304.362 1.857 10 0 DDAEMO COC(=O)c1c(F)cccc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000179222366 199001035 /nfs/dbraw/zinc/00/10/35/199001035.db2.gz DDCJPHQSESXZEB-LLVKDONJSA-N 1 1 321.352 1.924 10 0 DDAEMO CCC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000179523156 199049750 /nfs/dbraw/zinc/04/97/50/199049750.db2.gz ZTACUYGSLDIVPB-HOTGVXAUSA-N 1 1 306.406 1.165 10 0 DDAEMO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000179523156 199049752 /nfs/dbraw/zinc/04/97/52/199049752.db2.gz ZTACUYGSLDIVPB-HOTGVXAUSA-N 1 1 306.406 1.165 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000188705078 200290971 /nfs/dbraw/zinc/29/09/71/200290971.db2.gz YSBUZXIDNUGFMS-HOCLYGCPSA-N 1 1 316.405 1.517 10 0 DDAEMO C[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)N1CCOCC1 ZINC000194973038 201319899 /nfs/dbraw/zinc/31/98/99/201319899.db2.gz NGVAFWTXTKBVTC-DZGCQCFKSA-N 1 1 301.394 1.204 10 0 DDAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)NCC2CC2)C1 ZINC000195295253 201374920 /nfs/dbraw/zinc/37/49/20/201374920.db2.gz WFUXHAOAJBCCME-KRWDZBQOSA-N 1 1 316.449 1.362 10 0 DDAEMO CCc1nn(C)c(C[C@@H]([NH3+])C(C)(C)N(C)C)c1Br ZINC000091528402 193069414 /nfs/dbraw/zinc/06/94/14/193069414.db2.gz DELKMFAWWSKHJC-LLVKDONJSA-N 1 1 317.275 1.955 10 0 DDAEMO CC[N@@H+]1CCO[C@H](Cn2nc(C)c(Br)c2C)C1 ZINC000092060819 193149168 /nfs/dbraw/zinc/14/91/68/193149168.db2.gz KTHGBAPADQWOHK-NSHDSACASA-N 1 1 302.216 1.983 10 0 DDAEMO CC[N@H+]1CCO[C@H](Cn2nc(C)c(Br)c2C)C1 ZINC000092060819 193149169 /nfs/dbraw/zinc/14/91/69/193149169.db2.gz KTHGBAPADQWOHK-NSHDSACASA-N 1 1 302.216 1.983 10 0 DDAEMO C[N@@H+]1CCO[C@@H](COC(=O)c2cc3cc(N)ccc3s2)C1 ZINC000092060888 193149669 /nfs/dbraw/zinc/14/96/69/193149669.db2.gz CYVJTGYEANAJQS-GFCCVEGCSA-N 1 1 306.387 1.971 10 0 DDAEMO C[N@H+]1CCO[C@@H](COC(=O)c2cc3cc(N)ccc3s2)C1 ZINC000092060888 193149671 /nfs/dbraw/zinc/14/96/71/193149671.db2.gz CYVJTGYEANAJQS-GFCCVEGCSA-N 1 1 306.387 1.971 10 0 DDAEMO C[NH2+][C@@H](C(=O)Nc1cc(CC(C)(C)C)[nH]n1)c1cnn(C)c1 ZINC000262573839 203334675 /nfs/dbraw/zinc/33/46/75/203334675.db2.gz SRMCFODIHFHOCR-CYBMUJFWSA-N 1 1 304.398 1.631 10 0 DDAEMO CCCN[C@]1(C(=O)OC)CCC[C@@H]1CC[N@@H+](C)CCOC ZINC000093592048 193271389 /nfs/dbraw/zinc/27/13/89/193271389.db2.gz MQSNTNMJHMLFKJ-GDBMZVCRSA-N 1 1 300.443 1.666 10 0 DDAEMO CCN[C@@]1(C(=O)OCC)CCC[C@H]1CC[N@@H+](C)CCOC ZINC000093592038 193271657 /nfs/dbraw/zinc/27/16/57/193271657.db2.gz MQLCWPFCHXZMNC-HOCLYGCPSA-N 1 1 300.443 1.666 10 0 DDAEMO CNc1snc(C)c1-c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000093892806 193324066 /nfs/dbraw/zinc/32/40/66/193324066.db2.gz NZWAFUQTVAUTFO-SECBINFHSA-N 1 1 308.411 1.462 10 0 DDAEMO CNc1snc(C)c1-c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000093892806 193324068 /nfs/dbraw/zinc/32/40/68/193324068.db2.gz NZWAFUQTVAUTFO-SECBINFHSA-N 1 1 308.411 1.462 10 0 DDAEMO CN(C)C(=O)Cc1nc(CN(C)CC2CC[NH2+]CC2)cs1 ZINC000094024466 193340197 /nfs/dbraw/zinc/34/01/97/193340197.db2.gz ALIJQLSHTNJBMF-UHFFFAOYSA-N 1 1 310.467 1.205 10 0 DDAEMO Cc1c(F)cc(N)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000094360179 193365015 /nfs/dbraw/zinc/36/50/15/193365015.db2.gz ICVFDPQDIULMLU-LLVKDONJSA-N 1 1 301.387 1.089 10 0 DDAEMO Cc1c(F)cc(N)cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000094360179 193365017 /nfs/dbraw/zinc/36/50/17/193365017.db2.gz ICVFDPQDIULMLU-LLVKDONJSA-N 1 1 301.387 1.089 10 0 DDAEMO COCC[NH2+]Cc1ncnn1[C@H]1CCO[C@]2(CCSC2)C1 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/nfs/dbraw/zinc/23/52/88/195235288.db2.gz FEIXIJQFBFHPOR-AWEZNQCLSA-N 1 1 306.406 1.626 10 0 DDAEMO CN(C)C(=O)COC[C@]12CCC[C@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000247995108 257112698 /nfs/dbraw/zinc/11/26/98/257112698.db2.gz MMBCFSHGBNCARE-MAUKXSAKSA-N 1 1 317.433 1.789 10 0 DDAEMO CNC(=O)[C@@H]1CO[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@@H]2C1 ZINC000247931078 257114514 /nfs/dbraw/zinc/11/45/14/257114514.db2.gz FSJZYYVDONAFNG-KCQAQPDRSA-N 1 1 307.394 1.264 10 0 DDAEMO Cc1cccc(CN2CCO[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)n1 ZINC000247864824 257116332 /nfs/dbraw/zinc/11/63/32/257116332.db2.gz ICCODPJUAGTSAO-RBUKOAKNSA-N 1 1 324.428 1.870 10 0 DDAEMO Cc1cccc(CN2CCO[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]32)n1 ZINC000247864824 257116333 /nfs/dbraw/zinc/11/63/33/257116333.db2.gz ICCODPJUAGTSAO-RBUKOAKNSA-N 1 1 324.428 1.870 10 0 DDAEMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2C[C@@H]2CCOC2)N1Cc1ccncc1 ZINC000247847309 257117578 /nfs/dbraw/zinc/11/75/78/257117578.db2.gz FENONYXDWONXJU-GVDBMIGSSA-N 1 1 315.417 1.683 10 0 DDAEMO O=C(NCc1cccnc1)[C@@H]1C[N@H+](C2CCC2)C[C@@H]2OCC[C@@H]21 ZINC000247480079 257119320 /nfs/dbraw/zinc/11/93/20/257119320.db2.gz INVNPZLUZULHKV-ZACQAIPSSA-N 1 1 315.417 1.587 10 0 DDAEMO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccncc2)O1 ZINC000247479977 257119770 /nfs/dbraw/zinc/11/97/70/257119770.db2.gz IMHFXYMOXJVHMG-OAGGEKHMSA-N 1 1 301.390 1.340 10 0 DDAEMO c1cnn(CCCO[C@@H]2C[N@@H+](CC3CC3)[C@H]3CCCO[C@@H]23)c1 ZINC000253595643 257105010 /nfs/dbraw/zinc/10/50/10/257105010.db2.gz GVLHZXIJQYPFES-GVDBMIGSSA-N 1 1 305.422 1.932 10 0 DDAEMO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC4CC4)CCO[C@H]3C2)no1 ZINC000253480832 257105057 /nfs/dbraw/zinc/10/50/57/257105057.db2.gz ZEABJIGFHRUYOL-HOCLYGCPSA-N 1 1 319.405 1.556 10 0 DDAEMO Cc1ccoc1C(=O)N1C[C@@H]2OCC[N@H+](CC3CC3)C[C@@H]2C1 ZINC000253479548 257105372 /nfs/dbraw/zinc/10/53/72/257105372.db2.gz QYVUCLLZXZENKH-CABCVRRESA-N 1 1 304.390 1.771 10 0 DDAEMO Cc1nccn1CCCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121642319 195321926 /nfs/dbraw/zinc/32/19/26/195321926.db2.gz IZFWYFWIWOMRFK-GOEBONIOSA-N 1 1 321.469 2.000 10 0 DDAEMO CCC[C@@H]1CN(Cc2nnc(C3CC3)n2C)CC[N@H+]1CCOC ZINC000121653842 195324761 /nfs/dbraw/zinc/32/47/61/195324761.db2.gz NENBFJULHKXYMK-OAHLLOKOSA-N 1 1 321.469 1.625 10 0 DDAEMO CCOCC[N@H+]1CCC=C([C@@H]2c3nc[nH]c3CCN2C(C)=O)C1 ZINC000065457876 286082314 /nfs/dbraw/zinc/08/23/14/286082314.db2.gz WNCOQJLPVIUWOW-QGZVFWFLSA-N 1 1 318.421 1.524 10 0 DDAEMO CCOCC[N@@H+]1CCC=C([C@@H]2c3[nH]cnc3CCN2C(C)=O)C1 ZINC000065457876 286082317 /nfs/dbraw/zinc/08/23/17/286082317.db2.gz WNCOQJLPVIUWOW-QGZVFWFLSA-N 1 1 318.421 1.524 10 0 DDAEMO CCOCC[N@H+]1CCC=C([C@@H]2c3[nH]cnc3CCN2C(C)=O)C1 ZINC000065457876 286082319 /nfs/dbraw/zinc/08/23/19/286082319.db2.gz WNCOQJLPVIUWOW-QGZVFWFLSA-N 1 1 318.421 1.524 10 0 DDAEMO CC[NH+]=C1NC(CN2CCOCC2)=N[C@@H]2SC(C)C(C)=C12 ZINC000070503726 406818943 /nfs/dbraw/zinc/81/89/43/406818943.db2.gz AKSLLHLCAPHFJU-DZGCQCFKSA-N 1 1 308.451 1.722 10 0 DDAEMO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccccc1Br ZINC000028878869 406919918 /nfs/dbraw/zinc/91/99/18/406919918.db2.gz YJXXDMGSMUNEQL-SFYZADRCSA-N 1 1 314.183 1.683 10 0 DDAEMO CCOCC[N@H+]1CCN(C[C@H](O)COC(C)(C)C)C[C@H]1CC ZINC000105914903 407357117 /nfs/dbraw/zinc/35/71/17/407357117.db2.gz KSYHINWGSYEDKK-CVEARBPZSA-N 1 1 316.486 1.595 10 0 DDAEMO CCOCCN1CC[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]1CC ZINC000105914903 407357119 /nfs/dbraw/zinc/35/71/19/407357119.db2.gz KSYHINWGSYEDKK-CVEARBPZSA-N 1 1 316.486 1.595 10 0 DDAEMO CCOCCN1CC[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]1CC ZINC000105914903 407357120 /nfs/dbraw/zinc/35/71/20/407357120.db2.gz KSYHINWGSYEDKK-CVEARBPZSA-N 1 1 316.486 1.595 10 0 DDAEMO Cc1cnn([C@@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)c1 ZINC000105901360 407357126 /nfs/dbraw/zinc/35/71/26/407357126.db2.gz HGQGOQAMHSMVHU-OAHLLOKOSA-N 1 1 306.410 1.077 10 0 DDAEMO Cc1cnn(C[C@H]2C[N@H+](C[C@](C)(O)c3ccccc3)CCO2)c1 ZINC000105892907 407357137 /nfs/dbraw/zinc/35/71/37/407357137.db2.gz UGXLLPVTLAULKO-MSOLQXFVSA-N 1 1 315.417 1.800 10 0 DDAEMO Cc1cnn(C[C@H]2C[N@@H+](C[C@](C)(O)c3ccccc3)CCO2)c1 ZINC000105892907 407357139 /nfs/dbraw/zinc/35/71/39/407357139.db2.gz UGXLLPVTLAULKO-MSOLQXFVSA-N 1 1 315.417 1.800 10 0 DDAEMO CCc1ccc([C@H]2CCCC[N@H+]2CCN2C(=O)CNC2=O)o1 ZINC000124899020 407373005 /nfs/dbraw/zinc/37/30/05/407373005.db2.gz PJVVOIJAWZOUFJ-CYBMUJFWSA-N 1 1 305.378 1.921 10 0 DDAEMO COC(=O)CNC(=O)CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000111211419 407400550 /nfs/dbraw/zinc/40/05/50/407400550.db2.gz KBCPFOFTKMRMOU-NSHDSACASA-N 1 1 311.407 1.349 10 0 DDAEMO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000111686198 407414510 /nfs/dbraw/zinc/41/45/10/407414510.db2.gz CETZYAUWTYLEFU-STQMWFEESA-N 1 1 309.435 1.653 10 0 DDAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000111686198 407414511 /nfs/dbraw/zinc/41/45/11/407414511.db2.gz CETZYAUWTYLEFU-STQMWFEESA-N 1 1 309.435 1.653 10 0 DDAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(C(N)=O)c(C)c2)C1 ZINC000111760673 407415477 /nfs/dbraw/zinc/41/54/77/407415477.db2.gz OCEFMPPQWJOHSL-ZDUSSCGKSA-N 1 1 304.394 1.700 10 0 DDAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)NCc3cscn3)CC2)CCO1 ZINC000127411725 407436284 /nfs/dbraw/zinc/43/62/84/407436284.db2.gz DBFOTCYIAXBATG-GFCCVEGCSA-N 1 1 324.450 1.538 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccc(F)cc1 ZINC000113269550 407485497 /nfs/dbraw/zinc/48/54/97/407485497.db2.gz XOWIGYLVWYWKDC-CZUORRHYSA-N 1 1 305.397 1.610 10 0 DDAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2c[nH]c(=O)cc2C)C1 ZINC000128886873 407581579 /nfs/dbraw/zinc/58/15/79/407581579.db2.gz IUSOZDOKSVDSOU-ZDUSSCGKSA-N 1 1 314.389 1.920 10 0 DDAEMO COc1ccc(C2CCN(Cc3noc(C[NH3+])n3)CC2)cc1 ZINC000261701672 407584808 /nfs/dbraw/zinc/58/48/08/407584808.db2.gz JTEBTZFRHCJQLP-UHFFFAOYSA-N 1 1 302.378 1.917 10 0 DDAEMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178635962 407520018 /nfs/dbraw/zinc/52/00/18/407520018.db2.gz NZFOMANXPDQBDC-WCQYABFASA-N 1 1 308.813 1.842 10 0 DDAEMO CN(Cc1noc(C[NH3+])n1)Cc1cccc(Br)c1 ZINC000261552075 407541325 /nfs/dbraw/zinc/54/13/25/407541325.db2.gz ZRQHECKJIUVJJP-UHFFFAOYSA-N 1 1 311.183 1.923 10 0 DDAEMO C[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1nc(C2CCCCC2)no1 ZINC000261899313 407659597 /nfs/dbraw/zinc/65/95/97/407659597.db2.gz HLHGCYNUFFPIKG-LOWVWBTDSA-N 1 1 322.409 1.671 10 0 DDAEMO COC(=O)[C@@]1(C)CCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000186397764 407657718 /nfs/dbraw/zinc/65/77/18/407657718.db2.gz GMVJPODZVJHQIP-SWLSCSKDSA-N 1 1 313.419 1.653 10 0 DDAEMO COC(=O)[C@@]1(C)CCC[N@H+]1C[C@H](O)COCc1cccs1 ZINC000186397764 407657723 /nfs/dbraw/zinc/65/77/23/407657723.db2.gz GMVJPODZVJHQIP-SWLSCSKDSA-N 1 1 313.419 1.653 10 0 DDAEMO Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)nc2c1 ZINC000261915757 407669167 /nfs/dbraw/zinc/66/91/67/407669167.db2.gz JPAGLCZDCQJDQE-ZACQAIPSSA-N 1 1 314.433 1.889 10 0 DDAEMO C[C@@H]1C[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C[N@H+]1C1CC1 ZINC000130626613 407699976 /nfs/dbraw/zinc/69/99/76/407699976.db2.gz BJINLWRFOIXREB-TZMCWYRMSA-N 1 1 317.437 1.924 10 0 DDAEMO CC(=O)Nc1ccc(C)c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000186682939 407740327 /nfs/dbraw/zinc/74/03/27/407740327.db2.gz ANUYXRSZBPWDLG-OAHLLOKOSA-N 1 1 301.390 1.874 10 0 DDAEMO CCc1nnc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1C ZINC000179181346 407747543 /nfs/dbraw/zinc/74/75/43/407747543.db2.gz FBJRWTLSBMXSFQ-HIFRSBDPSA-N 1 1 303.454 1.826 10 0 DDAEMO COCCO[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000179287405 407765669 /nfs/dbraw/zinc/76/56/69/407765669.db2.gz BFRBRBCXVSTJEE-ZWKOTPCHSA-N 1 1 323.433 1.692 10 0 DDAEMO COc1cccc(-c2noc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)n2)c1 ZINC000153194550 407771711 /nfs/dbraw/zinc/77/17/11/407771711.db2.gz NPGNJYAHVUPDLA-KBPBESRZSA-N 1 1 316.361 1.264 10 0 DDAEMO Cn1c(C[N@@H+]2CCSC3(CCOCC3)C2)nnc1C1CC1 ZINC000186810800 407777389 /nfs/dbraw/zinc/77/73/89/407777389.db2.gz KRPAECGFZGIMGW-UHFFFAOYSA-N 1 1 308.451 1.791 10 0 DDAEMO Cn1c(C[N@H+]2CCSC3(CCOCC3)C2)nnc1C1CC1 ZINC000186810800 407777402 /nfs/dbraw/zinc/77/74/02/407777402.db2.gz KRPAECGFZGIMGW-UHFFFAOYSA-N 1 1 308.451 1.791 10 0 DDAEMO COC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000262310096 407792688 /nfs/dbraw/zinc/79/26/88/407792688.db2.gz OYZCTIPEWGYHOI-PBHICJAKSA-N 1 1 319.449 1.508 10 0 DDAEMO COC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000262310096 407792695 /nfs/dbraw/zinc/79/26/95/407792695.db2.gz OYZCTIPEWGYHOI-PBHICJAKSA-N 1 1 319.449 1.508 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@@H]1C ZINC000117274604 407817369 /nfs/dbraw/zinc/81/73/69/407817369.db2.gz GTHNJZSINJSFQR-ZDUSSCGKSA-N 1 1 308.426 1.716 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@@H]1C ZINC000117274604 407817374 /nfs/dbraw/zinc/81/73/74/407817374.db2.gz GTHNJZSINJSFQR-ZDUSSCGKSA-N 1 1 308.426 1.716 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)Cc2cccc(F)c2)C[C@@H]1C ZINC000117281376 407820338 /nfs/dbraw/zinc/82/03/38/407820338.db2.gz OSTGGTUSHVCLGC-AWEZNQCLSA-N 1 1 308.397 1.937 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)Cc2cccc(F)c2)C[C@@H]1C ZINC000117281376 407820343 /nfs/dbraw/zinc/82/03/43/407820343.db2.gz OSTGGTUSHVCLGC-AWEZNQCLSA-N 1 1 308.397 1.937 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)Cc2ccc(OC)cc2)C[C@@H]1C ZINC000117293464 407821624 /nfs/dbraw/zinc/82/16/24/407821624.db2.gz DRVWWKRBUDBOLG-AWEZNQCLSA-N 1 1 306.406 1.417 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)Cc2ccc(OC)cc2)C[C@@H]1C ZINC000117293464 407821630 /nfs/dbraw/zinc/82/16/30/407821630.db2.gz DRVWWKRBUDBOLG-AWEZNQCLSA-N 1 1 306.406 1.417 10 0 DDAEMO CCSc1cc(C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)ccn1 ZINC000117294915 407828268 /nfs/dbraw/zinc/82/82/68/407828268.db2.gz MHLXNXLGOBWCIG-CYBMUJFWSA-N 1 1 323.462 1.986 10 0 DDAEMO CCSc1cc(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)ccn1 ZINC000117294915 407828272 /nfs/dbraw/zinc/82/82/72/407828272.db2.gz MHLXNXLGOBWCIG-CYBMUJFWSA-N 1 1 323.462 1.986 10 0 DDAEMO CC[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CC[N@H+]1CCOC ZINC000117474073 407840147 /nfs/dbraw/zinc/84/01/47/407840147.db2.gz OEMXKMCPWVCPHC-OAHLLOKOSA-N 1 1 309.454 1.927 10 0 DDAEMO COc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(OC)c1OC ZINC000262529716 407859227 /nfs/dbraw/zinc/85/92/27/407859227.db2.gz PKCAFOXKNOFYOV-IHRRRGAJSA-N 1 1 306.406 1.882 10 0 DDAEMO CCN(CC)C(=O)[C@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262565230 407868214 /nfs/dbraw/zinc/86/82/14/407868214.db2.gz ZYYSDNVHLOVMGX-KBPBESRZSA-N 1 1 313.442 1.114 10 0 DDAEMO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000262565230 407868217 /nfs/dbraw/zinc/86/82/17/407868217.db2.gz ZYYSDNVHLOVMGX-KBPBESRZSA-N 1 1 313.442 1.114 10 0 DDAEMO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000262565230 407868222 /nfs/dbraw/zinc/86/82/22/407868222.db2.gz ZYYSDNVHLOVMGX-KBPBESRZSA-N 1 1 313.442 1.114 10 0 DDAEMO CCN(CC)C(=O)[C@H](C)[NH+]1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262565230 407868226 /nfs/dbraw/zinc/86/82/26/407868226.db2.gz ZYYSDNVHLOVMGX-KBPBESRZSA-N 1 1 313.442 1.114 10 0 DDAEMO CCN(CC)C(=O)[C@H](C)[NH+]1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262565230 407868227 /nfs/dbraw/zinc/86/82/27/407868227.db2.gz ZYYSDNVHLOVMGX-KBPBESRZSA-N 1 1 313.442 1.114 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2cnn(C(C)C)c2C)C[C@@H]1C ZINC000180271641 407873655 /nfs/dbraw/zinc/87/36/55/407873655.db2.gz HWKZEHIRIPOCFJ-AWEZNQCLSA-N 1 1 322.453 1.955 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2cnn(C(C)C)c2C)C[C@@H]1C ZINC000180271641 407873659 /nfs/dbraw/zinc/87/36/59/407873659.db2.gz HWKZEHIRIPOCFJ-AWEZNQCLSA-N 1 1 322.453 1.955 10 0 DDAEMO CC[C@H](O)CN1CC[NH+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000181922862 408054184 /nfs/dbraw/zinc/05/41/84/408054184.db2.gz DPPHQXRKQPVYRY-HNNXBMFYSA-N 1 1 314.470 1.887 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000245473190 407992657 /nfs/dbraw/zinc/99/26/57/407992657.db2.gz PSVPXGIRGVEFKK-KBPBESRZSA-N 1 1 313.442 1.700 10 0 DDAEMO FC(F)C(F)(F)COCC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000189219254 408004023 /nfs/dbraw/zinc/00/40/23/408004023.db2.gz DZSKURJNLXSCPO-JTQLQIEISA-N 1 1 310.295 1.832 10 0 DDAEMO CC[C@@H]1CN(C(=O)c2ccc(NC=O)cc2)CC[N@@H+]1CCOC ZINC000174957579 408016397 /nfs/dbraw/zinc/01/63/97/408016397.db2.gz NESPPYJYQWVIKU-MRXNPFEDSA-N 1 1 319.405 1.438 10 0 DDAEMO CC[C@@H]1CN(C(=O)c2ccc(NC=O)cc2)CC[N@H+]1CCOC ZINC000174957579 408016402 /nfs/dbraw/zinc/01/64/02/408016402.db2.gz NESPPYJYQWVIKU-MRXNPFEDSA-N 1 1 319.405 1.438 10 0 DDAEMO COCCOc1cccc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245746796 408061848 /nfs/dbraw/zinc/06/18/48/408061848.db2.gz MWTRSFFNBGTAFS-HOTGVXAUSA-N 1 1 322.449 1.599 10 0 DDAEMO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000175185137 408071151 /nfs/dbraw/zinc/07/11/51/408071151.db2.gz YLMDNBIZILBTGL-AWEZNQCLSA-N 1 1 305.426 1.244 10 0 DDAEMO CC[C@@H]1CN(Cc2nc([C@@H](C)OC)no2)CC[N@H+]1CCOC ZINC000175190388 408072650 /nfs/dbraw/zinc/07/26/50/408072650.db2.gz QCACUTNYWDSEEI-CHWSQXEVSA-N 1 1 312.414 1.320 10 0 DDAEMO CO[C@H](C)c1nc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cs1 ZINC000175188798 408074694 /nfs/dbraw/zinc/07/46/94/408074694.db2.gz ADYLXRKHYFSSNO-YNEHKIRRSA-N 1 1 313.467 1.737 10 0 DDAEMO CCn1cc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000120183315 408121242 /nfs/dbraw/zinc/12/12/42/408121242.db2.gz ORRKGJZLZDYQSZ-HNNXBMFYSA-N 1 1 300.410 1.794 10 0 DDAEMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C)O2)[C@H](C)C1 ZINC000155088686 408124297 /nfs/dbraw/zinc/12/42/97/408124297.db2.gz WMHWIGCJCAIFAU-UGUYLWEFSA-N 1 1 312.454 1.807 10 0 DDAEMO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3nccn3C)C2=O)n(C)n1 ZINC000182342106 408131815 /nfs/dbraw/zinc/13/18/15/408131815.db2.gz YGNVTBWRJAOJTC-QWHCGFSZSA-N 1 1 316.409 1.308 10 0 DDAEMO CC(C)(C)S(=O)(=O)c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000246059921 408132059 /nfs/dbraw/zinc/13/20/59/408132059.db2.gz AQUKYXWGQXQRNM-AWEZNQCLSA-N 1 1 323.462 1.938 10 0 DDAEMO CCO[C@H]1C[C@@H]([N@@H+](C)CCNS(=O)(=O)CC)C12CCCC2 ZINC000121117349 408155260 /nfs/dbraw/zinc/15/52/60/408155260.db2.gz CDCCCRKEPQBSPY-KGLIPLIRSA-N 1 1 318.483 1.595 10 0 DDAEMO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1C ZINC000190078352 408159352 /nfs/dbraw/zinc/15/93/52/408159352.db2.gz AACYJYLUHKJWJE-GOEBONIOSA-N 1 1 315.417 1.937 10 0 DDAEMO CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)c(O)c(OC)c2)C1 ZINC000137947273 408163277 /nfs/dbraw/zinc/16/32/77/408163277.db2.gz VBNIDSJNNYLNOB-LBPRGKRZSA-N 1 1 308.378 1.624 10 0 DDAEMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000175605683 408172923 /nfs/dbraw/zinc/17/29/23/408172923.db2.gz VRUUYGDNSSEQRI-HYVNUMGLSA-N 1 1 302.418 1.848 10 0 DDAEMO C[C@H]1CN(C(=O)NC(C2CC2)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175649115 408178089 /nfs/dbraw/zinc/17/80/89/408178089.db2.gz SGDZGLUHABFJHO-WFASDCNBSA-N 1 1 307.438 1.537 10 0 DDAEMO COc1ccc(NC(=O)[C@@H](C)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246212584 408180295 /nfs/dbraw/zinc/18/02/95/408180295.db2.gz AQEHVUNUGLHEEI-HIFRSBDPSA-N 1 1 303.406 1.802 10 0 DDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(C(N)=O)c2)C1 ZINC000246240391 408187244 /nfs/dbraw/zinc/18/72/44/408187244.db2.gz OAFBPUMIDQHOEJ-SMDDNHRTSA-N 1 1 304.394 1.636 10 0 DDAEMO CC[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)CC[N@@H+]1CCOC ZINC000190449067 408248378 /nfs/dbraw/zinc/24/83/78/408248378.db2.gz OTYHQEZHOYICCQ-ZDUSSCGKSA-N 1 1 306.410 1.470 10 0 DDAEMO CC[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)CC[N@H+]1CCOC ZINC000190449067 408248385 /nfs/dbraw/zinc/24/83/85/408248385.db2.gz OTYHQEZHOYICCQ-ZDUSSCGKSA-N 1 1 306.410 1.470 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCn2ccnc2C1 ZINC000246414439 408249750 /nfs/dbraw/zinc/24/97/50/408249750.db2.gz BTJQVQQFAXYRNT-KFWWJZLASA-N 1 1 302.422 1.531 10 0 DDAEMO C[C@H](CNC(=O)N1CCN2CCCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000246422754 408251338 /nfs/dbraw/zinc/25/13/38/408251338.db2.gz MARIJKSFXHDGFP-SJORKVTESA-N 1 1 322.497 1.988 10 0 DDAEMO O=C(N[C@H]1COc2ccccc21)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246431794 408256730 /nfs/dbraw/zinc/25/67/30/408256730.db2.gz MZDZBYAREUZMBY-ZFWWWQNUSA-N 1 1 301.390 2.000 10 0 DDAEMO Cc1ccccc1NC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246353340 408230292 /nfs/dbraw/zinc/23/02/92/408230292.db2.gz GBKBRTWKOXUMJG-RDJZCZTQSA-N 1 1 317.433 1.586 10 0 DDAEMO Cc1ccccc1NC(=O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246353340 408230296 /nfs/dbraw/zinc/23/02/96/408230296.db2.gz GBKBRTWKOXUMJG-RDJZCZTQSA-N 1 1 317.433 1.586 10 0 DDAEMO COc1ccc(OC)c(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246355829 408231528 /nfs/dbraw/zinc/23/15/28/408231528.db2.gz GGHBEFGPNWBLHF-RHSMWYFYSA-N 1 1 320.433 1.856 10 0 DDAEMO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000246476834 408265934 /nfs/dbraw/zinc/26/59/34/408265934.db2.gz RDGFWJIBVOWSIP-CVEARBPZSA-N 1 1 306.406 1.165 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCC(=O)NC2CC2)C1 ZINC000158142717 408326885 /nfs/dbraw/zinc/32/68/85/408326885.db2.gz VPCSLQIFVYDMJY-OCCSQVGLSA-N 1 1 310.442 1.073 10 0 DDAEMO CCN1CC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)[C@H](C)C1 ZINC000246559248 408292133 /nfs/dbraw/zinc/29/21/33/408292133.db2.gz XATSDZVKLFQPID-PMPSAXMXSA-N 1 1 303.454 1.765 10 0 DDAEMO COCc1ccc([C@H]2CCC[N@H+]2C[C@H](O)CN2CCCC2=O)o1 ZINC000131438240 162015358 /nfs/dbraw/zinc/01/53/58/162015358.db2.gz HOXCDEJGTBPZFU-DZGCQCFKSA-N 1 1 322.405 1.546 10 0 DDAEMO CCn1c(C)cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1C ZINC000246761459 408333432 /nfs/dbraw/zinc/33/34/32/408333432.db2.gz ORRYGQIPDSILDW-KGLIPLIRSA-N 1 1 307.438 1.652 10 0 DDAEMO CCn1c(C)cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1C ZINC000246761459 408333439 /nfs/dbraw/zinc/33/34/39/408333439.db2.gz ORRYGQIPDSILDW-KGLIPLIRSA-N 1 1 307.438 1.652 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNC(=O)C(C)(C)C ZINC000246831543 408351955 /nfs/dbraw/zinc/35/19/55/408351955.db2.gz ASFCDUOMJCAEAX-KGLIPLIRSA-N 1 1 309.454 1.624 10 0 DDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)C1 ZINC000246809624 408344505 /nfs/dbraw/zinc/34/45/05/408344505.db2.gz DGEVJIRDNHMHDP-QWHCGFSZSA-N 1 1 312.458 1.271 10 0 DDAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)NCCCOC)CC2)cn1 ZINC000171865255 162244316 /nfs/dbraw/zinc/24/43/16/162244316.db2.gz VKUQVSYWHBCXGA-UHFFFAOYSA-N 1 1 323.441 1.157 10 0 DDAEMO CCn1cc(C[N@H+]2CCCN(C(=O)NCCCOC)CC2)cn1 ZINC000171865255 162244319 /nfs/dbraw/zinc/24/43/19/162244319.db2.gz VKUQVSYWHBCXGA-UHFFFAOYSA-N 1 1 323.441 1.157 10 0 DDAEMO O=C(NCCCN1CCCCCC1=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171898228 162246478 /nfs/dbraw/zinc/24/64/78/162246478.db2.gz LABZZWNCEUDPNI-HNNXBMFYSA-N 1 1 322.453 1.269 10 0 DDAEMO CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](CCO)c2ccccc2)C1 ZINC000172609915 162286870 /nfs/dbraw/zinc/28/68/70/162286870.db2.gz RDTLUBGRADTVOV-SJORKVTESA-N 1 1 319.449 1.936 10 0 DDAEMO Cc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000246925912 408367559 /nfs/dbraw/zinc/36/75/59/408367559.db2.gz ICWDEGFZFLJMEL-WBVHZDCISA-N 1 1 315.417 1.958 10 0 DDAEMO C[C@@](O)(C[N@H+]1CC[C@@H](CN2CCOCC2)C1)c1ccccc1 ZINC000246914102 408368551 /nfs/dbraw/zinc/36/85/51/408368551.db2.gz PUSRETAXZCPVKI-FUHWJXTLSA-N 1 1 304.434 1.548 10 0 DDAEMO CC(C)C(=O)N1CCC(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247012697 408386421 /nfs/dbraw/zinc/38/64/21/408386421.db2.gz FUVIOFMKSOEXKG-ZBFHGGJFSA-N 1 1 321.465 1.576 10 0 DDAEMO CC(C)OC(=O)[C@H](C)CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000173512563 162345684 /nfs/dbraw/zinc/34/56/84/162345684.db2.gz PECGFVZTVLTGCC-ZIAGYGMSSA-N 1 1 311.426 1.454 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccnc(C)n1 ZINC000174178587 162398652 /nfs/dbraw/zinc/39/86/52/162398652.db2.gz HJWGLCQUJKGHRV-HUUCEWRRSA-N 1 1 303.410 1.553 10 0 DDAEMO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)CCO2)n1 ZINC000246987996 408381774 /nfs/dbraw/zinc/38/17/74/408381774.db2.gz AVUIMYOOWMGFQM-ZWKOTPCHSA-N 1 1 315.417 1.934 10 0 DDAEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)CCO2)n1 ZINC000246987996 408381778 /nfs/dbraw/zinc/38/17/78/408381778.db2.gz AVUIMYOOWMGFQM-ZWKOTPCHSA-N 1 1 315.417 1.934 10 0 DDAEMO 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300.443 1.351 10 0 DDAEMO CN1CCN(CCC[N@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000119289424 408033813 /nfs/dbraw/zinc/03/38/13/408033813.db2.gz VETTZAAWRPUETD-SFHVURJKSA-N 1 1 305.466 1.463 10 0 DDAEMO CN1CCN(CCC[N@@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000119289424 408033814 /nfs/dbraw/zinc/03/38/14/408033814.db2.gz VETTZAAWRPUETD-SFHVURJKSA-N 1 1 305.466 1.463 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(=O)n2ccsc2n1 ZINC000175038695 408036083 /nfs/dbraw/zinc/03/60/83/408036083.db2.gz BSKQQCKCGSSGMX-ZIAGYGMSSA-N 1 1 318.446 1.815 10 0 DDAEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2cccc(CO)c2)C1 ZINC000245677977 408042716 /nfs/dbraw/zinc/04/27/16/408042716.db2.gz LPDLCQGFKWXWKC-DZGCQCFKSA-N 1 1 306.406 1.547 10 0 DDAEMO C[N@@H+]1CCC[C@H]1CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000245712685 408050299 /nfs/dbraw/zinc/05/02/99/408050299.db2.gz ZROLFYYAKDRQRJ-RBUKOAKNSA-N 1 1 317.477 1.822 10 0 DDAEMO C[N@H+]1CCC[C@H]1CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000245712685 408050304 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CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000190356989 408228182 /nfs/dbraw/zinc/22/81/82/408228182.db2.gz YXWDWQKTYVZTPL-QWHCGFSZSA-N 1 1 320.368 1.244 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccco2)N(C)C)C1 ZINC000246750595 408332898 /nfs/dbraw/zinc/33/28/98/408332898.db2.gz BIRROFIHMCJUPO-RBSFLKMASA-N 1 1 322.453 1.910 10 0 DDAEMO C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)CC1(C)OCCO1 ZINC000246744474 408329461 /nfs/dbraw/zinc/32/94/61/408329461.db2.gz VDICSUDNXHWPPS-KBPBESRZSA-N 1 1 311.426 1.265 10 0 DDAEMO COc1c(C)cnc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1C ZINC000246527153 408282507 /nfs/dbraw/zinc/28/25/07/408282507.db2.gz RTCYJESURBQGSN-YOEHRIQHSA-N 1 1 319.449 1.860 10 0 DDAEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2cc[nH]n2)CC1 ZINC000190588612 408286203 /nfs/dbraw/zinc/28/62/03/408286203.db2.gz KZDPULYLUYGGKP-UHFFFAOYSA-N 1 1 308.426 1.648 10 0 DDAEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2cc[nH]n2)CC1 ZINC000190588612 408286208 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CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H](O)COc1ccccc1 ZINC000176525812 408388494 /nfs/dbraw/zinc/38/84/94/408388494.db2.gz AVSDJOCFQOPFEE-ZACQAIPSSA-N 1 1 304.434 1.985 10 0 DDAEMO C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1[NH+]1CCOCC1 ZINC000173888356 162373283 /nfs/dbraw/zinc/37/32/83/162373283.db2.gz KEUVBNCSOCSHSB-GDBMZVCRSA-N 1 1 303.406 1.193 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC000158963493 408374381 /nfs/dbraw/zinc/37/43/81/408374381.db2.gz YGROWNMAQVNJFT-DOMZBBRYSA-N 1 1 319.405 1.009 10 0 DDAEMO CC[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC000246994738 408382353 /nfs/dbraw/zinc/38/23/53/408382353.db2.gz BDKFAADFWFCRNH-HZPDHXFCSA-N 1 1 311.470 1.288 10 0 DDAEMO CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)CC[N@@H+]1CCOC ZINC000247074887 408402725 /nfs/dbraw/zinc/40/27/25/408402725.db2.gz LAJSQZKCPXWDKS-NVXWUHKLSA-N 1 1 318.417 1.559 10 0 DDAEMO CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)CC[N@H+]1CCOC ZINC000247074887 408402730 /nfs/dbraw/zinc/40/27/30/408402730.db2.gz LAJSQZKCPXWDKS-NVXWUHKLSA-N 1 1 318.417 1.559 10 0 DDAEMO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247108744 408407982 /nfs/dbraw/zinc/40/79/82/408407982.db2.gz IUVYMRPRSLHFJK-HUUCEWRRSA-N 1 1 307.442 1.541 10 0 DDAEMO C[C@](O)(C[N@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000247098950 408409474 /nfs/dbraw/zinc/40/94/74/408409474.db2.gz IDHDYWRAHJKRKP-WBVHZDCISA-N 1 1 300.406 1.898 10 0 DDAEMO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NCC(C)C)CC2)nn1 ZINC000247157778 408418834 /nfs/dbraw/zinc/41/88/34/408418834.db2.gz MABGDXFFYLKNPJ-OAHLLOKOSA-N 1 1 319.453 1.458 10 0 DDAEMO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)NCC(C)C)CC2)nn1 ZINC000247157778 408418837 /nfs/dbraw/zinc/41/88/37/408418837.db2.gz MABGDXFFYLKNPJ-OAHLLOKOSA-N 1 1 319.453 1.458 10 0 DDAEMO CC[C@@H]1CN(C(=O)NC[C@H]2CCCOC2)CC[N@H+]1CCOC ZINC000247189253 408423907 /nfs/dbraw/zinc/42/39/07/408423907.db2.gz SFQZQLKOLJBOID-HUUCEWRRSA-N 1 1 313.442 1.165 10 0 DDAEMO C[C@@H](C(=O)NCCc1cccs1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247193159 408426530 /nfs/dbraw/zinc/42/65/30/408426530.db2.gz OGABLMLCLGNAJW-KBPBESRZSA-N 1 1 307.463 1.575 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NCCOc1ccccc1 ZINC000247214093 408430711 /nfs/dbraw/zinc/43/07/11/408430711.db2.gz MCFFTXDXZDOOQL-CVEARBPZSA-N 1 1 317.433 1.350 10 0 DDAEMO COCC[N@@H+]1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@@H]1C ZINC000247372884 408460030 /nfs/dbraw/zinc/46/00/30/408460030.db2.gz UXPSYCBZCNDGAG-OAGGEKHMSA-N 1 1 311.470 1.428 10 0 DDAEMO COCC[N@H+]1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@@H]1C ZINC000247372884 408460037 /nfs/dbraw/zinc/46/00/37/408460037.db2.gz UXPSYCBZCNDGAG-OAGGEKHMSA-N 1 1 311.470 1.428 10 0 DDAEMO C[C@@H]1CN(CC[N@H+]2CC[C@H](CNc3ccccn3)C2)CCO1 ZINC000191503874 408438153 /nfs/dbraw/zinc/43/81/53/408438153.db2.gz SQKUGVIIEHUUMI-HZPDHXFCSA-N 1 1 304.438 1.536 10 0 DDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCC(=O)OC(C)(C)C)C1 ZINC000247501889 408480533 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C[C@H](CC(=O)OC(C)(C)C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000183714047 408474462 /nfs/dbraw/zinc/47/44/62/408474462.db2.gz ZUEFNKWCAFXHCX-KGLIPLIRSA-N 1 1 300.443 1.543 10 0 DDAEMO CC[C@@H]1CN(C(=O)NCc2cccs2)CC[N@H+]1C[C@H](C)O ZINC000248376126 408553429 /nfs/dbraw/zinc/55/34/29/408553429.db2.gz ZNAUXVFTQPYPDO-QWHCGFSZSA-N 1 1 311.451 1.735 10 0 DDAEMO Cc1ccc(CS(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000184144463 408559588 /nfs/dbraw/zinc/55/95/88/408559588.db2.gz QFIGQHBQOSUOQP-CQSZACIVSA-N 1 1 312.410 1.744 10 0 DDAEMO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C)c1 ZINC000177388057 408597068 /nfs/dbraw/zinc/59/70/68/408597068.db2.gz MBQUJHHTAYZXEI-OAHLLOKOSA-N 1 1 315.417 1.939 10 0 DDAEMO Cc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(C)c1 ZINC000177388057 408597073 /nfs/dbraw/zinc/59/70/73/408597073.db2.gz MBQUJHHTAYZXEI-OAHLLOKOSA-N 1 1 315.417 1.939 10 0 DDAEMO c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cn2)cn1 ZINC000177155053 408536856 /nfs/dbraw/zinc/53/68/56/408536856.db2.gz 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Cc1cnn(Cc2cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)no2)c1 ZINC000178886526 407638726 /nfs/dbraw/zinc/63/87/26/407638726.db2.gz BQMOQKODDREJFP-ZDUSSCGKSA-N 1 1 315.377 1.148 10 0 DDAEMO COCCOCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178905756 407650776 /nfs/dbraw/zinc/65/07/76/407650776.db2.gz WJWBNARSINTHTH-IUODEOHRSA-N 1 1 301.333 1.736 10 0 DDAEMO COCCOCC[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178905756 407650782 /nfs/dbraw/zinc/65/07/82/407650782.db2.gz WJWBNARSINTHTH-IUODEOHRSA-N 1 1 301.333 1.736 10 0 DDAEMO CN(C(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000261731245 407595201 /nfs/dbraw/zinc/59/52/01/407595201.db2.gz KGBASNZXUJHVNV-HZPDHXFCSA-N 1 1 301.434 1.971 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)Nc2cccc(N(C)C)n2)C[C@H]1C ZINC000152832369 407696829 /nfs/dbraw/zinc/69/68/29/407696829.db2.gz XWAFIGIIGJKAFD-CYBMUJFWSA-N 1 1 321.425 1.332 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)Nc2cccc(N(C)C)n2)C[C@H]1C ZINC000152832369 407696833 /nfs/dbraw/zinc/69/68/33/407696833.db2.gz XWAFIGIIGJKAFD-CYBMUJFWSA-N 1 1 321.425 1.332 10 0 DDAEMO O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171625503 407723563 /nfs/dbraw/zinc/72/35/63/407723563.db2.gz NVVAZVHAOOYREX-DLBZAZTESA-N 1 1 316.405 1.493 10 0 DDAEMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116431833 407753923 /nfs/dbraw/zinc/75/39/23/407753923.db2.gz GNJNAZJTTFSCPZ-HOCLYGCPSA-N 1 1 319.453 1.793 10 0 DDAEMO Cn1cc([C@H]2CC[N@H+](Cc3nnnn3-c3ccccc3)C2)cn1 ZINC000116314613 407742473 /nfs/dbraw/zinc/74/24/73/407742473.db2.gz OUALPVCKBBRBDL-ZDUSSCGKSA-N 1 1 309.377 1.385 10 0 DDAEMO Cn1cc([C@H]2CC[N@@H+](Cc3nnnn3-c3ccccc3)C2)cn1 ZINC000116314613 407742476 /nfs/dbraw/zinc/74/24/76/407742476.db2.gz OUALPVCKBBRBDL-ZDUSSCGKSA-N 1 1 309.377 1.385 10 0 DDAEMO O=S(=O)(c1ccc(F)c(F)c1F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171770567 407765316 /nfs/dbraw/zinc/76/53/16/407765316.db2.gz HPAZALTZORBTAZ-SECBINFHSA-N 1 1 320.336 1.573 10 0 DDAEMO COC[C@H](N)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000262338855 407803446 /nfs/dbraw/zinc/80/34/46/407803446.db2.gz SNYRLQUAROXOIG-AWEZNQCLSA-N 1 1 313.829 1.204 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](OC)c2ccccc2)C[C@@H]1C ZINC000117282287 407817966 /nfs/dbraw/zinc/81/79/66/407817966.db2.gz TUQPDFYHFGTTIZ-DOTOQJQBSA-N 1 1 320.433 1.943 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)[C@H](OC)c2ccccc2)C[C@@H]1C ZINC000117282287 407817972 /nfs/dbraw/zinc/81/79/72/407817972.db2.gz TUQPDFYHFGTTIZ-DOTOQJQBSA-N 1 1 320.433 1.943 10 0 DDAEMO CC[C@H]1CN(C(=O)NC2CCC(O)CC2)CC[N@H+]1CCOC ZINC000117467757 407837257 /nfs/dbraw/zinc/83/72/57/407837257.db2.gz WUSRWUNUDDORJW-SLTAFYQDSA-N 1 1 313.442 1.042 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)NCCCc2ccccc2)C[C@H]1C ZINC000117468979 407840200 /nfs/dbraw/zinc/84/02/00/407840200.db2.gz MHJBBXOTPYXTLG-MRXNPFEDSA-N 1 1 319.449 1.981 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)NCCCc2ccccc2)C[C@H]1C ZINC000117468979 407840205 /nfs/dbraw/zinc/84/02/05/407840205.db2.gz MHJBBXOTPYXTLG-MRXNPFEDSA-N 1 1 319.449 1.981 10 0 DDAEMO CC[C@H]1CN([C@H](C(=O)OC)c2ccccc2)CC[N@H+]1CCOC ZINC000117880078 407866142 /nfs/dbraw/zinc/86/61/42/407866142.db2.gz FTGSCBMSBGHRDL-IRXDYDNUSA-N 1 1 320.433 1.943 10 0 DDAEMO CCc1noc([C@@H](C)N2CC[NH+](CCC(=O)OC(C)C)CC2)n1 ZINC000173684433 407895096 /nfs/dbraw/zinc/89/50/96/407895096.db2.gz LVRYGOJRAZELLO-CYBMUJFWSA-N 1 1 324.425 1.652 10 0 DDAEMO C[C@@H]1CN(C(=O)CCCc2ccccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000173867596 407901594 /nfs/dbraw/zinc/90/15/94/407901594.db2.gz AVCTXFSKEIOZHC-WBVHZDCISA-N 1 1 317.433 1.583 10 0 DDAEMO Cc1ncc(CN2CCN([C@H](C)C[NH+]3CCOCC3)CC2)s1 ZINC000180613377 407904050 /nfs/dbraw/zinc/90/40/50/407904050.db2.gz ATYHYWHIIGLRPH-CQSZACIVSA-N 1 1 324.494 1.290 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H](C)c2cccc(O)c2)C[C@H]1C ZINC000117496262 407843027 /nfs/dbraw/zinc/84/30/27/407843027.db2.gz DSWNYEARJLIWRI-KGLIPLIRSA-N 1 1 321.421 1.815 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)N[C@@H](C)c2cccc(O)c2)C[C@H]1C ZINC000117496262 407843034 /nfs/dbraw/zinc/84/30/34/407843034.db2.gz DSWNYEARJLIWRI-KGLIPLIRSA-N 1 1 321.421 1.815 10 0 DDAEMO CC[N@H+]1CCC[C@@H](NC(=O)CSC[C@H]2CCCCO2)C1 ZINC000245402596 407961992 /nfs/dbraw/zinc/96/19/92/407961992.db2.gz IPZKMDHRYYKQIV-ZIAGYGMSSA-N 1 1 300.468 1.889 10 0 DDAEMO COC[C@@H](C)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188169333 407921791 /nfs/dbraw/zinc/92/17/91/407921791.db2.gz UTWGSMQVGGTCCC-CRAIPNDOSA-N 1 1 320.433 1.364 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000174236302 407924400 /nfs/dbraw/zinc/92/44/00/407924400.db2.gz QZZHBGKDGZZNFD-BZUAXINKSA-N 1 1 308.470 1.739 10 0 DDAEMO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C(=O)OC)s2)CC1 ZINC000119258762 408023254 /nfs/dbraw/zinc/02/32/54/408023254.db2.gz KXIWQSFCJMTVAL-GFCCVEGCSA-N 1 1 312.435 1.423 10 0 DDAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000174768561 407989279 /nfs/dbraw/zinc/98/92/79/407989279.db2.gz HQNQYXVPNBRAAI-CYBMUJFWSA-N 1 1 315.377 1.102 10 0 DDAEMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000262977103 407990590 /nfs/dbraw/zinc/99/05/90/407990590.db2.gz MKAGRFKXCKLBLN-KBPBESRZSA-N 1 1 309.360 1.374 10 0 DDAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCC2=CCCCC2)CC1 ZINC000181527112 408009344 /nfs/dbraw/zinc/00/93/44/408009344.db2.gz QOHIMALQAOXTLG-MRXNPFEDSA-N 1 1 309.454 1.975 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1 ZINC000174971998 408016311 /nfs/dbraw/zinc/01/63/11/408016311.db2.gz OPLIVDPRLPFYPX-HUUCEWRRSA-N 1 1 301.390 1.710 10 0 DDAEMO C[C@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000245735315 408058562 /nfs/dbraw/zinc/05/85/62/408058562.db2.gz KPFCZDXSNYGFLL-DZGCQCFKSA-N 1 1 306.454 1.860 10 0 DDAEMO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000245796762 408070379 /nfs/dbraw/zinc/07/03/79/408070379.db2.gz XCWLJEPBFNQYJI-GDBMZVCRSA-N 1 1 320.433 1.856 10 0 DDAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCC[C@H]2CCCCO2)CC1 ZINC000182160195 408082007 /nfs/dbraw/zinc/08/20/07/408082007.db2.gz LKUFIIXDLCJQHN-LSDHHAIUSA-N 1 1 313.442 1.044 10 0 DDAEMO C[C@H]1CC[C@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000245926685 408102807 /nfs/dbraw/zinc/10/28/07/408102807.db2.gz PTEVROPWIUQUGH-PQAIKRCPSA-N 1 1 321.465 1.323 10 0 DDAEMO Cc1ccn(C)c(=O)c1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246088742 408137889 /nfs/dbraw/zinc/13/78/89/408137889.db2.gz JBMMYWJJKUGIQD-OLZOCXBDSA-N 1 1 306.410 1.544 10 0 DDAEMO C[C@H](CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000263456530 408144545 /nfs/dbraw/zinc/14/45/45/408144545.db2.gz AXHBHZXXRUYTPW-GDBMZVCRSA-N 1 1 306.406 1.507 10 0 DDAEMO C[C@H](NC(=O)N1CCN2CCCC[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000246187026 408169270 /nfs/dbraw/zinc/16/92/70/408169270.db2.gz HZJDORJPVYWSDN-GJZGRUSLSA-N 1 1 310.486 1.842 10 0 DDAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N2CCCCC2)o1 ZINC000182566420 408195814 /nfs/dbraw/zinc/19/58/14/408195814.db2.gz BCGMHFFVHBBHKJ-ZIAGYGMSSA-N 1 1 321.421 1.756 10 0 DDAEMO Cn1cc(CN2CCC[N@@H+](Cc3ccc(CO)cc3)CC2)cn1 ZINC000182754472 408239330 /nfs/dbraw/zinc/23/93/30/408239330.db2.gz KLBVIQPUTAYZQP-UHFFFAOYSA-N 1 1 314.433 1.620 10 0 DDAEMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246269790 408198576 /nfs/dbraw/zinc/19/85/76/408198576.db2.gz RUTYZTXGXIYVME-CVEARBPZSA-N 1 1 303.406 1.936 10 0 DDAEMO CCC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000246346204 408227336 /nfs/dbraw/zinc/22/73/36/408227336.db2.gz WEDLEUAUBRSIDO-QWHCGFSZSA-N 1 1 307.456 1.062 10 0 DDAEMO Cc1nc(C)c(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)s1 ZINC000246373572 408233122 /nfs/dbraw/zinc/23/31/22/408233122.db2.gz AIOKVVJJVDZABP-BXKDBHETSA-N 1 1 317.480 1.767 10 0 DDAEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000246738827 408330187 /nfs/dbraw/zinc/33/01/87/408330187.db2.gz GPDDPEYTIDATAW-CRAIPNDOSA-N 1 1 306.450 1.918 10 0 DDAEMO O[C@@H](COC1CCOCC1)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246535231 408286039 /nfs/dbraw/zinc/28/60/39/408286039.db2.gz GFRNKWZAJGTPAN-RHSMWYFYSA-N 1 1 322.405 1.091 10 0 DDAEMO O=C1[C@H](N2CC[N@H+]3CCC[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000176111038 408288237 /nfs/dbraw/zinc/28/82/37/408288237.db2.gz GCKWUVSXEUROAF-IUODEOHRSA-N 1 1 321.371 1.850 10 0 DDAEMO C[C@H](Cc1ccccc1F)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246654584 408310705 /nfs/dbraw/zinc/31/07/05/408310705.db2.gz GSPSMDBVQCYDRQ-ILXRZTDVSA-N 1 1 322.424 1.918 10 0 DDAEMO C[C@H](Cc1ccccc1F)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246654584 408310711 /nfs/dbraw/zinc/31/07/11/408310711.db2.gz GSPSMDBVQCYDRQ-ILXRZTDVSA-N 1 1 322.424 1.918 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](O)C2CCCCC2)C1 ZINC000132263408 162032446 /nfs/dbraw/zinc/03/24/46/162032446.db2.gz RMOIAEZCZMHVAJ-KBMXLJTQSA-N 1 1 311.470 1.956 10 0 DDAEMO CC[C@H]1CN(C(=O)Cc2ccc(F)cc2)CC[N@H+]1C[C@H](C)O ZINC000246757227 408334335 /nfs/dbraw/zinc/33/43/35/408334335.db2.gz HOBOSRRERMDGLO-BBRMVZONSA-N 1 1 308.397 1.672 10 0 DDAEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@@H](C)C1 ZINC000158643699 408352537 /nfs/dbraw/zinc/35/25/37/408352537.db2.gz JWHCIEBGBLQCFI-ONGXEEELSA-N 1 1 316.327 1.954 10 0 DDAEMO CC[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)CCN1CCOC ZINC000171624424 162229290 /nfs/dbraw/zinc/22/92/90/162229290.db2.gz HNBWGMRVJVEUCU-CVEARBPZSA-N 1 1 302.459 1.063 10 0 DDAEMO CC[C@@H]1CN(C[C@H](O)COCC(C)C)CC[N@@H+]1CCOC ZINC000171624424 162229292 /nfs/dbraw/zinc/22/92/92/162229292.db2.gz HNBWGMRVJVEUCU-CVEARBPZSA-N 1 1 302.459 1.063 10 0 DDAEMO CC[C@@H]1CN(C[C@H](O)COCC(C)C)CC[N@H+]1CCOC ZINC000171624424 162229295 /nfs/dbraw/zinc/22/92/95/162229295.db2.gz HNBWGMRVJVEUCU-CVEARBPZSA-N 1 1 302.459 1.063 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[S@](C)=O)c1 ZINC000246953029 408372711 /nfs/dbraw/zinc/37/27/11/408372711.db2.gz DEWOYOZDNLGSGL-DHZVRSILSA-N 1 1 320.458 1.874 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[S@@](C)=O)c1 ZINC000246953053 408373701 /nfs/dbraw/zinc/37/37/01/408373701.db2.gz DEWOYOZDNLGSGL-JFUMZLFPSA-N 1 1 320.458 1.874 10 0 DDAEMO COc1ccc([C@@H](CO)[N@@H+](C)C[C@H](O)COC(C)(C)C)cc1 ZINC000246951932 408374093 /nfs/dbraw/zinc/37/40/93/408374093.db2.gz DDFYRGFOSZSPGY-GOEBONIOSA-N 1 1 311.422 1.836 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc32)C[C@@H]1C ZINC000246981777 408378775 /nfs/dbraw/zinc/37/87/75/408378775.db2.gz FOVKQPSCQALSMU-GOEBONIOSA-N 1 1 317.433 1.688 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc32)C[C@@H]1C ZINC000246981777 408378780 /nfs/dbraw/zinc/37/87/80/408378780.db2.gz FOVKQPSCQALSMU-GOEBONIOSA-N 1 1 317.433 1.688 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)CCc2ccncn2)C[C@@H]1CC ZINC000191251646 408394030 /nfs/dbraw/zinc/39/40/30/408394030.db2.gz SVDUJPXUHAHLLP-INIZCTEOSA-N 1 1 320.437 1.369 10 0 DDAEMO CC[C@@H]1CCCCN1C(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247095241 408405235 /nfs/dbraw/zinc/40/52/35/408405235.db2.gz HWSUKWYOTOVNFC-OWCLPIDISA-N 1 1 311.470 1.164 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H]2COc3ccccc32)C[C@H]1C ZINC000247117521 408413603 /nfs/dbraw/zinc/41/36/03/408413603.db2.gz NTFPEXYYZPMSTN-ZBFHGGJFSA-N 1 1 318.417 1.732 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)[C@H]2COc3ccccc32)C[C@H]1C ZINC000247117521 408413607 /nfs/dbraw/zinc/41/36/07/408413607.db2.gz NTFPEXYYZPMSTN-ZBFHGGJFSA-N 1 1 318.417 1.732 10 0 DDAEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)NCC(C)C)C[C@H]1CC ZINC000247150474 408419083 /nfs/dbraw/zinc/41/90/83/408419083.db2.gz LMXJGLZHVNZSNL-HZPDHXFCSA-N 1 1 313.486 1.580 10 0 DDAEMO Cc1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nc(C2CC2)n1 ZINC000176706139 408420725 /nfs/dbraw/zinc/42/07/25/408420725.db2.gz FPLIGGJDAQMYPS-IUODEOHRSA-N 1 1 302.422 1.819 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N(C2CC2)C2CCCC2)C[C@H]1C ZINC000247243060 408437038 /nfs/dbraw/zinc/43/70/38/408437038.db2.gz SMPRKRXQBBVPQQ-CABCVRRESA-N 1 1 323.481 1.307 10 0 DDAEMO CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000191543300 408443405 /nfs/dbraw/zinc/44/34/05/408443405.db2.gz RCLIHUGALLUWJO-HIFRSBDPSA-N 1 1 305.422 1.142 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cnn(C)c1-n1cccc1 ZINC000247491459 408481795 /nfs/dbraw/zinc/48/17/95/408481795.db2.gz UGZKUEIROPXRDD-KGLIPLIRSA-N 1 1 313.405 1.520 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000177007027 408494352 /nfs/dbraw/zinc/49/43/52/408494352.db2.gz XFNDPUZBVYTBHE-GDBMZVCRSA-N 1 1 321.465 1.720 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000191650757 408463849 /nfs/dbraw/zinc/46/38/49/408463849.db2.gz JRARNRMCGDVJQY-CHWSQXEVSA-N 1 1 311.385 1.837 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000247470962 408475229 /nfs/dbraw/zinc/47/52/29/408475229.db2.gz RQRXUZFBBWNKGX-RYUDHWBXSA-N 1 1 312.373 1.232 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)CC1CCCCC1 ZINC000247476670 408478247 /nfs/dbraw/zinc/47/82/47/408478247.db2.gz SFTXVSNJNMNGTO-HOCLYGCPSA-N 1 1 321.465 1.768 10 0 DDAEMO CCOCC[N@@H+]1CCN(c2nccnc2OC(C)C)C[C@@H]1C ZINC000184110544 408549138 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/nfs/dbraw/zinc/45/66/48/408456648.db2.gz OGYCGBJHYFTLBN-HUUCEWRRSA-N 1 1 319.453 1.912 10 0 DDAEMO CCOCC[N@H+]1CCN(Cc2nnc(C)n2C2CC2)C[C@H]1C ZINC000247031481 408392180 /nfs/dbraw/zinc/39/21/80/408392180.db2.gz DETOAJXLBWCGJH-CYBMUJFWSA-N 1 1 307.442 1.464 10 0 DDAEMO CC[C@@H]1CCCCN1C(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247095222 408405516 /nfs/dbraw/zinc/40/55/16/408405516.db2.gz HWSUKWYOTOVNFC-HRCADAONSA-N 1 1 311.470 1.164 10 0 DDAEMO CC[C@@H]1CN([C@H](C)C(=O)NC2CCCC2)CC[N@H+]1CCOC ZINC000247105505 408408742 /nfs/dbraw/zinc/40/87/42/408408742.db2.gz IPOHTWKGCFIJET-GDBMZVCRSA-N 1 1 311.470 1.476 10 0 DDAEMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000247194913 408426186 /nfs/dbraw/zinc/42/61/86/408426186.db2.gz TXNLYKIOGFLOPW-GJZGRUSLSA-N 1 1 317.437 1.436 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H](OC)c2ccccc2)C[C@H]1C ZINC000247201160 408426870 /nfs/dbraw/zinc/42/68/70/408426870.db2.gz TUQPDFYHFGTTIZ-WBVHZDCISA-N 1 1 320.433 1.943 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H](OC)c2ccccc2)C[C@H]1C ZINC000247201160 408426876 /nfs/dbraw/zinc/42/68/76/408426876.db2.gz TUQPDFYHFGTTIZ-WBVHZDCISA-N 1 1 320.433 1.943 10 0 DDAEMO O=C(N[C@@H]1CCOc2ccccc21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247218638 408429935 /nfs/dbraw/zinc/42/99/35/408429935.db2.gz BLFWNONAKLXHMP-DZGCQCFKSA-N 1 1 301.390 2.000 10 0 DDAEMO CCOCC[N@@H+]1CCN(CC(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000247209717 408430663 /nfs/dbraw/zinc/43/06/63/408430663.db2.gz PPVLCDIJHFXLPD-JKSUJKDBSA-N 1 1 311.470 1.288 10 0 DDAEMO CCOCC[N@H+]1CCN(CC(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000247209717 408430668 /nfs/dbraw/zinc/43/06/68/408430668.db2.gz PPVLCDIJHFXLPD-JKSUJKDBSA-N 1 1 311.470 1.288 10 0 DDAEMO Cc1cnn(C[C@@H]2C[N@H+](C[C@@](C)(O)c3ccccc3)CCO2)c1 ZINC000247254340 408438339 /nfs/dbraw/zinc/43/83/39/408438339.db2.gz UGXLLPVTLAULKO-ZWKOTPCHSA-N 1 1 315.417 1.800 10 0 DDAEMO Cc1cnn(C[C@@H]2C[N@@H+](C[C@@](C)(O)c3ccccc3)CCO2)c1 ZINC000247254340 408438345 /nfs/dbraw/zinc/43/83/45/408438345.db2.gz UGXLLPVTLAULKO-ZWKOTPCHSA-N 1 1 315.417 1.800 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(-n2cccn2)ccn1 ZINC000176983673 408490211 /nfs/dbraw/zinc/49/02/11/408490211.db2.gz LIIDAZOPZKWENG-HNNXBMFYSA-N 1 1 313.405 1.824 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CN(C)C(=O)c1cccs1 ZINC000176989036 408491752 /nfs/dbraw/zinc/49/17/52/408491752.db2.gz HJUBFNPHLMKKSF-ZDUSSCGKSA-N 1 1 323.462 1.763 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000247686491 408502955 /nfs/dbraw/zinc/50/29/55/408502955.db2.gz VBJGTSUWGMIKHJ-KGLIPLIRSA-N 1 1 304.394 1.476 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(CNC(C)=O)cc1 ZINC000177036202 408503608 /nfs/dbraw/zinc/50/36/08/408503608.db2.gz OZRASEATVVLMSJ-KRWDZBQOSA-N 1 1 317.433 1.879 10 0 DDAEMO CC[C@@H]1CN(Cc2cccc(C(=O)OC)c2)CC[N@H+]1C[C@H](C)O ZINC000247815096 408511254 /nfs/dbraw/zinc/51/12/54/408511254.db2.gz WBGSSQBZUZWXOD-WMLDXEAASA-N 1 1 320.433 1.750 10 0 DDAEMO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000247992274 408525339 /nfs/dbraw/zinc/52/53/39/408525339.db2.gz LOXQFNPBNCZISQ-LSDHHAIUSA-N 1 1 306.406 1.287 10 0 DDAEMO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000176886441 408466668 /nfs/dbraw/zinc/46/66/68/408466668.db2.gz YXNKJWVNQYZGSZ-GFCCVEGCSA-N 1 1 320.437 1.452 10 0 DDAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc2nncn2c1 ZINC000177208765 408552338 /nfs/dbraw/zinc/55/23/38/408552338.db2.gz UDZIMDYDMWWCJW-CQSZACIVSA-N 1 1 310.361 1.539 10 0 DDAEMO COc1cccc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000177232469 408557076 /nfs/dbraw/zinc/55/70/76/408557076.db2.gz RAVCHJLOYRQMEJ-XJKSGUPXSA-N 1 1 319.405 1.880 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000248458641 408572273 /nfs/dbraw/zinc/57/22/73/408572273.db2.gz QHOCQHFSBRITRQ-OCCSQVGLSA-N 1 1 323.437 1.548 10 0 DDAEMO Cc1cccc(F)c1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248469996 408574638 /nfs/dbraw/zinc/57/46/38/408574638.db2.gz HOHMOVCXLHVEHZ-CHWSQXEVSA-N 1 1 312.410 1.991 10 0 DDAEMO CC(C)(C)OC(=O)N1CC(C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000184272682 408580814 /nfs/dbraw/zinc/58/08/14/408580814.db2.gz JBGIYQZRLDXOCE-ZDUSSCGKSA-N 1 1 309.410 1.160 10 0 DDAEMO CCN(CC1CC1)S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000248638632 408606732 /nfs/dbraw/zinc/60/67/32/408606732.db2.gz LLXCAKDQVNMBMR-GXTWGEPZSA-N 1 1 301.456 1.132 10 0 DDAEMO CC(C)OC(=O)CCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248701856 408617626 /nfs/dbraw/zinc/61/76/26/408617626.db2.gz AHMXAHAFWRZDQN-ZIAGYGMSSA-N 1 1 313.442 1.746 10 0 DDAEMO CCOC(=O)c1nn(C)cc1CN[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248799726 408634279 /nfs/dbraw/zinc/63/42/79/408634279.db2.gz ZBPZJOVRTCFZAU-OCCSQVGLSA-N 1 1 308.426 1.415 10 0 DDAEMO CCc1noc([C@H](C)N2CC[NH+](C[C@@H]3CC[C@@H](C)O3)CC2)n1 ZINC000248898653 408656368 /nfs/dbraw/zinc/65/63/68/408656368.db2.gz KITKQMOIWLXFAZ-RDBSUJKOSA-N 1 1 308.426 1.878 10 0 DDAEMO COC(=O)[C@@]1(C)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192833070 408659401 /nfs/dbraw/zinc/65/94/01/408659401.db2.gz JJNYXRZWJXXGPG-QGZVFWFLSA-N 1 1 311.470 1.430 10 0 DDAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCOCCC(C)C)CC1 ZINC000184973489 408727113 /nfs/dbraw/zinc/72/71/13/408727113.db2.gz XAVBZXBHXXVLRT-OAHLLOKOSA-N 1 1 315.458 1.147 10 0 DDAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000184730076 408677145 /nfs/dbraw/zinc/67/71/45/408677145.db2.gz VEKHARGAZZNGDT-UONOGXRCSA-N 1 1 309.410 1.747 10 0 DDAEMO COC[C@@H]1C[N@@H+](Cc2ccncc2F)C[C@H]1c1nc(C)no1 ZINC000253409483 408815041 /nfs/dbraw/zinc/81/50/41/408815041.db2.gz LXTPPYOPUZVQEL-QWHCGFSZSA-N 1 1 306.341 1.774 10 0 DDAEMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(N3CCOC3=O)c2)C1 ZINC000194660934 408789251 /nfs/dbraw/zinc/78/92/51/408789251.db2.gz WBRCNZAQLJOOBD-AWEZNQCLSA-N 1 1 317.389 1.857 10 0 DDAEMO OCC[N@H+](Cc1cccnc1)C[C@H](O)COCc1ccccc1 ZINC000178337495 408807032 /nfs/dbraw/zinc/80/70/32/408807032.db2.gz SZGHLRSJTWCPOO-SFHVURJKSA-N 1 1 316.401 1.454 10 0 DDAEMO CCn1nccc1C[N@@H+]1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000285632409 408832652 /nfs/dbraw/zinc/83/26/52/408832652.db2.gz WRIQFFMUXABLFG-HNNXBMFYSA-N 1 1 304.398 1.169 10 0 DDAEMO CCn1nccc1C[N@H+]1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000285632409 408832656 /nfs/dbraw/zinc/83/26/56/408832656.db2.gz WRIQFFMUXABLFG-HNNXBMFYSA-N 1 1 304.398 1.169 10 0 DDAEMO COC(=O)c1ccccc1CC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000186990079 163000662 /nfs/dbraw/zinc/00/06/62/163000662.db2.gz OKYNYOQPZSGGAL-OAHLLOKOSA-N 1 1 314.389 1.944 10 0 DDAEMO CC(C)(C)C(=O)NCCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195072248 163305389 /nfs/dbraw/zinc/30/53/89/163305389.db2.gz ZWXKZADYHACRPX-CQSZACIVSA-N 1 1 309.454 1.626 10 0 DDAEMO COc1ccc(CCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000195310631 163315700 /nfs/dbraw/zinc/31/57/00/163315700.db2.gz JOBLHGVKJYDWAY-OAHLLOKOSA-N 1 1 318.417 1.943 10 0 DDAEMO O=C(c1cc2c(c(Cl)c1)OCO2)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195317814 163315720 /nfs/dbraw/zinc/31/57/20/163315720.db2.gz XXYYQHJFGUIOPX-LLVKDONJSA-N 1 1 308.765 1.989 10 0 DDAEMO O=C(c1cc(F)cc2nccnc21)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195336301 163318132 /nfs/dbraw/zinc/31/81/32/163318132.db2.gz AAJUTWYQQZVBRG-GFCCVEGCSA-N 1 1 300.337 1.689 10 0 DDAEMO O=c1cc(C[N@@H+]2CC[C@H](CCO)C2)nc2ccc(Cl)cn12 ZINC000227572657 163339145 /nfs/dbraw/zinc/33/91/45/163339145.db2.gz OLWVDTKKTZOIRC-LLVKDONJSA-N 1 1 307.781 1.552 10 0 DDAEMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@@H]1CCCO ZINC000303266362 409545928 /nfs/dbraw/zinc/54/59/28/409545928.db2.gz VXFCXAMSTXOBCU-CYBMUJFWSA-N 1 1 302.374 1.520 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCC(=O)N(C)C ZINC000174320562 287220576 /nfs/dbraw/zinc/22/05/76/287220576.db2.gz DOJIGMSBYOCFBP-ZIAGYGMSSA-N 1 1 310.442 1.123 10 0 DDAEMO Brc1cncnc1NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000373044675 418924771 /nfs/dbraw/zinc/92/47/71/418924771.db2.gz HAKBRDFKLJYOKV-SECBINFHSA-N 1 1 308.183 1.532 10 0 DDAEMO Cc1cccc(OCC[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 ZINC000299743950 229381745 /nfs/dbraw/zinc/38/17/45/229381745.db2.gz MYNXNZAGGATLLI-CHWSQXEVSA-N 1 1 316.323 1.969 10 0 DDAEMO CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000185820066 263394718 /nfs/dbraw/zinc/39/47/18/263394718.db2.gz VZQPKSQIEIQBIZ-QWHCGFSZSA-N 1 1 312.414 1.001 10 0 DDAEMO CC(C)O[C@@H](C[N@H+]1C[C@@H](O)[C@H](n2ccnn2)C1)c1ccccc1 ZINC000639356401 423469795 /nfs/dbraw/zinc/46/97/95/423469795.db2.gz DCVWCAURLCKWSM-ZACQAIPSSA-N 1 1 316.405 1.662 10 0 DDAEMO C[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)ns3)C[C@H]21 ZINC000301674441 277125244 /nfs/dbraw/zinc/12/52/44/277125244.db2.gz RSVQFQLUIIYAQT-CHWSQXEVSA-N 1 1 302.403 1.724 10 0 DDAEMO CC(C)(C)n1nnnc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000330126108 277294450 /nfs/dbraw/zinc/29/44/50/277294450.db2.gz MEMMYJMEWOLYEB-CHWSQXEVSA-N 1 1 303.414 1.898 10 0 DDAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000177205462 279172749 /nfs/dbraw/zinc/17/27/49/279172749.db2.gz ZQHBKLODJZJNMF-KGLIPLIRSA-N 1 1 304.394 1.051 10 0 DDAEMO CCC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000128086314 281297984 /nfs/dbraw/zinc/29/79/84/281297984.db2.gz WEDLEUAUBRSIDO-CHWSQXEVSA-N 1 1 307.456 1.062 10 0 DDAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NC(C)(C)C ZINC000245439917 288316971 /nfs/dbraw/zinc/31/69/71/288316971.db2.gz TYTYOQSFNQAJNZ-STQMWFEESA-N 1 1 310.442 1.169 10 0 DDAEMO NC(=O)NC(=O)OCCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000180460118 295076272 /nfs/dbraw/zinc/07/62/72/295076272.db2.gz VBVFHEFCQABICN-JTQLQIEISA-N 1 1 312.395 1.865 10 0 DDAEMO NC(=O)NC(=O)OCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000180460118 295076276 /nfs/dbraw/zinc/07/62/76/295076276.db2.gz VBVFHEFCQABICN-JTQLQIEISA-N 1 1 312.395 1.865 10 0 DDAEMO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000113305512 295197785 /nfs/dbraw/zinc/19/77/85/295197785.db2.gz CWAIFFJGTCDEGL-QWHCGFSZSA-N 1 1 310.419 1.552 10 0 DDAEMO C[C@H]1C[N@@H+](CCN(C)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000132604023 300256877 /nfs/dbraw/zinc/25/68/77/300256877.db2.gz YAESDISTNYGQDF-WMZOPIPTSA-N 1 1 303.450 1.775 10 0 DDAEMO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCCCS(C)(=O)=O ZINC000675299718 485905992 /nfs/dbraw/zinc/90/59/92/485905992.db2.gz CRQCILNGNTVCIO-GJZGRUSLSA-N 1 1 302.484 1.760 10 0 DDAEMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1CCCCS(C)(=O)=O ZINC000675299718 485905997 /nfs/dbraw/zinc/90/59/97/485905997.db2.gz CRQCILNGNTVCIO-GJZGRUSLSA-N 1 1 302.484 1.760 10 0 DDAEMO C[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1[NH+]1CCOCC1 ZINC000328776267 534306725 /nfs/dbraw/zinc/30/67/25/534306725.db2.gz IBKFKBSDBWJHPF-QLFBSQMISA-N 1 1 323.437 1.455 10 0 DDAEMO CC[C@@H]1CN(C(=O)NOCc2ccccc2)CC[N@@H+]1CCOC ZINC000117491981 696671021 /nfs/dbraw/zinc/67/10/21/696671021.db2.gz WSGJNLHTKQZQKX-MRXNPFEDSA-N 1 1 321.421 1.870 10 0 DDAEMO CC[C@@H]1CN(C(=O)NOCc2ccccc2)CC[N@H+]1CCOC ZINC000117491981 696671022 /nfs/dbraw/zinc/67/10/22/696671022.db2.gz WSGJNLHTKQZQKX-MRXNPFEDSA-N 1 1 321.421 1.870 10 0 DDAEMO c1nc(-c2ccccc2)nn1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172959625 697374490 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CCOC(=O)c1c(C)nsc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000092913260 185348511 /nfs/dbraw/zinc/34/85/11/185348511.db2.gz WVAYOOLDSDSSKE-LLVKDONJSA-N 1 1 312.439 1.286 10 0 DDAEMO O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nnc[nH]1 ZINC000381772965 539504345 /nfs/dbraw/zinc/50/43/45/539504345.db2.gz BHELHOMUJQRENO-RRFJBIMHSA-N 1 1 311.389 1.445 10 0 DDAEMO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ncn[nH]1 ZINC000381772965 539504349 /nfs/dbraw/zinc/50/43/49/539504349.db2.gz BHELHOMUJQRENO-RRFJBIMHSA-N 1 1 311.389 1.445 10 0 DDAEMO O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ncn[nH]1 ZINC000381772965 539504353 /nfs/dbraw/zinc/50/43/53/539504353.db2.gz BHELHOMUJQRENO-RRFJBIMHSA-N 1 1 311.389 1.445 10 0 DDAEMO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nc[nH]n1 ZINC000381772965 539504358 /nfs/dbraw/zinc/50/43/58/539504358.db2.gz BHELHOMUJQRENO-RRFJBIMHSA-N 1 1 311.389 1.445 10 0 DDAEMO O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nc[nH]n1 ZINC000381772965 539504361 /nfs/dbraw/zinc/50/43/61/539504361.db2.gz BHELHOMUJQRENO-RRFJBIMHSA-N 1 1 311.389 1.445 10 0 DDAEMO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000083721596 192379309 /nfs/dbraw/zinc/37/93/09/192379309.db2.gz WBQPCDCZJQTLFY-QWHCGFSZSA-N 1 1 306.414 1.062 10 0 DDAEMO COc1ccccc1CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171898166 198004100 /nfs/dbraw/zinc/00/41/00/198004100.db2.gz FIYLKMUNIPSZDD-OAHLLOKOSA-N 1 1 303.406 1.727 10 0 DDAEMO C[C@H]1CN(C(=O)Cc2cc(F)ccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000173804028 198253763 /nfs/dbraw/zinc/25/37/63/198253763.db2.gz DQGBRDUTZXHQNV-BLLLJJGKSA-N 1 1 324.371 1.686 10 0 DDAEMO C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1[NH+]1CCOCC1 ZINC000173973011 198274756 /nfs/dbraw/zinc/27/47/56/198274756.db2.gz VSNXZIOZZVMWOG-GDBMZVCRSA-N 1 1 303.406 1.193 10 0 DDAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)CSc2ccccc2)C[C@@H]1C ZINC000174321965 198319020 /nfs/dbraw/zinc/31/90/20/198319020.db2.gz QDGITXNBCROHFG-UONOGXRCSA-N 1 1 308.447 1.692 10 0 DDAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CSc2ccccc2)C[C@@H]1C ZINC000174321965 198319021 /nfs/dbraw/zinc/31/90/21/198319021.db2.gz QDGITXNBCROHFG-UONOGXRCSA-N 1 1 308.447 1.692 10 0 DDAEMO OC[C@@H]1C[C@H]1[NH2+]Cc1ncc(I)s1 ZINC000308426901 354473187 /nfs/dbraw/zinc/47/31/87/354473187.db2.gz XNFNYAKAFGURST-NTSWFWBYSA-N 1 1 310.160 1.218 10 0 DDAEMO CCOc1cccc(CN(CC(N)=O)C[C@@H]2C[N@H+](C)CCO2)c1 ZINC000328657042 354560252 /nfs/dbraw/zinc/56/02/52/354560252.db2.gz ZYDHWGPSOJQYOQ-INIZCTEOSA-N 1 1 321.421 1.753 10 0 DDAEMO CCOc1cccc(CN(CC(N)=O)C[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000328657042 354560253 /nfs/dbraw/zinc/56/02/53/354560253.db2.gz ZYDHWGPSOJQYOQ-INIZCTEOSA-N 1 1 321.421 1.753 10 0 DDAEMO O=C(NCc1nnc([C@@H]2CCC[NH2+]2)[nH]1)OCc1ccccc1 ZINC000536951470 354692761 /nfs/dbraw/zinc/69/27/61/354692761.db2.gz RABHGQLXTDIEBC-LBPRGKRZSA-N 1 1 301.350 1.656 10 0 DDAEMO CO[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCOC1 ZINC000276989487 213223065 /nfs/dbraw/zinc/22/30/65/213223065.db2.gz VTYHHCHYSCMFOD-WMZOPIPTSA-N 1 1 318.417 1.573 10 0 DDAEMO CC1(C)CO[C@@H](Cc2ccccc2)CN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000074883790 191378838 /nfs/dbraw/zinc/37/88/38/191378838.db2.gz CQBJXULOQVADIH-GJZGRUSLSA-N 1 1 320.458 1.898 10 0 DDAEMO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000237013256 202121355 /nfs/dbraw/zinc/12/13/55/202121355.db2.gz WUJGOWBXAFGKCS-IUODEOHRSA-N 1 1 305.426 1.145 10 0 DDAEMO COCOc1ccc(OC)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179549583 199052877 /nfs/dbraw/zinc/05/28/77/199052877.db2.gz OUVRMGVZGRWEIP-OAHLLOKOSA-N 1 1 306.406 1.958 10 0 DDAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NOC[C@@H]1CCOC1 ZINC000188063532 200188261 /nfs/dbraw/zinc/18/82/61/200188261.db2.gz WHNPAYIBCIPGAL-KGLIPLIRSA-N 1 1 308.382 1.334 10 0 DDAEMO CC[C@H]1CN(C(=O)NCc2ccncc2C)CC[N@H+]1C[C@@H](C)O ZINC000188307796 200224965 /nfs/dbraw/zinc/22/49/65/200224965.db2.gz KKTQCVAOIXNGJX-ZBFHGGJFSA-N 1 1 320.437 1.377 10 0 DDAEMO Brc1cn2c(CNCC[NH+]3CCCC3)cnc2cn1 ZINC000092049054 193148666 /nfs/dbraw/zinc/14/86/66/193148666.db2.gz UIUJVYBPCSVFBA-UHFFFAOYSA-N 1 1 324.226 1.677 10 0 DDAEMO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000092098378 193157526 /nfs/dbraw/zinc/15/75/26/193157526.db2.gz BQMUEYLYPDTYTP-AWEZNQCLSA-N 1 1 302.353 1.926 10 0 DDAEMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000092098378 193157527 /nfs/dbraw/zinc/15/75/27/193157527.db2.gz BQMUEYLYPDTYTP-AWEZNQCLSA-N 1 1 302.353 1.926 10 0 DDAEMO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCN(C)C)c(F)c1 ZINC000092116180 193163933 /nfs/dbraw/zinc/16/39/33/193163933.db2.gz RPUPLHBASWQNPZ-UHFFFAOYSA-N 1 1 317.430 1.117 10 0 DDAEMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC1=O)NCC(F)(F)F ZINC000093490698 193260438 /nfs/dbraw/zinc/26/04/38/193260438.db2.gz KIAHMSHQYCZMHV-WDEREUQCSA-N 1 1 306.328 1.889 10 0 DDAEMO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC1=O)NCC(F)(F)F ZINC000093490698 193260439 /nfs/dbraw/zinc/26/04/39/193260439.db2.gz KIAHMSHQYCZMHV-WDEREUQCSA-N 1 1 306.328 1.889 10 0 DDAEMO CC(C)(CN[C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000093520481 193262982 /nfs/dbraw/zinc/26/29/82/193262982.db2.gz UMSUCIGQJCGINB-HZSPNIEDSA-N 1 1 302.484 1.710 10 0 DDAEMO [NH3+][C@]1(CO)CCC[C@@H]1CCN1CCN(CC(F)(F)F)CC1 ZINC000093615152 193275082 /nfs/dbraw/zinc/27/50/82/193275082.db2.gz HFPONMUAVWQLFT-OLZOCXBDSA-N 1 1 309.376 1.046 10 0 DDAEMO COC(=O)[C@@]1([NH2+]C(C)C)CCC[C@@H](Sc2nnnn2C)C1 ZINC000093777034 193305361 /nfs/dbraw/zinc/30/53/61/193305361.db2.gz YUIYXJFFUHJYHO-ZWNOBZJWSA-N 1 1 313.427 1.155 10 0 DDAEMO COC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](Sc2nncn2C)C1 ZINC000093777787 193305372 /nfs/dbraw/zinc/30/53/72/193305372.db2.gz PCDPEYMFTBAPEJ-RISCZKNCSA-N 1 1 312.439 1.760 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(N)cc(F)c1C ZINC000094359213 193364842 /nfs/dbraw/zinc/36/48/42/193364842.db2.gz MPRQDMFAOUNXJW-GFCCVEGCSA-N 1 1 315.414 1.479 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1N ZINC000094457212 193371318 /nfs/dbraw/zinc/37/13/18/193371318.db2.gz IKZJPAVQTKZQET-GHMZBOCLSA-N 1 1 313.398 1.265 10 0 DDAEMO COCCC[N@H+](CCOC)[C@]1(CN)CSCCC1(C)C ZINC000094484157 193373110 /nfs/dbraw/zinc/37/31/10/193373110.db2.gz HQSYZRSKTLQGBE-OAHLLOKOSA-N 1 1 304.500 1.832 10 0 DDAEMO COCCC[N@@H+](CCOC)[C@]1(CN)CSCCC1(C)C ZINC000094484157 193373112 /nfs/dbraw/zinc/37/31/12/193373112.db2.gz HQSYZRSKTLQGBE-OAHLLOKOSA-N 1 1 304.500 1.832 10 0 DDAEMO C[N@H+]1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2NN)C1 ZINC000094599467 193383276 /nfs/dbraw/zinc/38/32/76/193383276.db2.gz HYKOCGASESKBLB-QMMMGPOBSA-N 1 1 302.300 1.425 10 0 DDAEMO O=C(N[C@H]1COc2ccccc2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247472639 284256425 /nfs/dbraw/zinc/25/64/25/284256425.db2.gz HHPRYLCHHPULCE-CABCVRRESA-N 1 1 301.390 1.480 10 0 DDAEMO Cc1ccc(C)c(N2C[C@H](C(=O)N3CC[NH+](C)CC3)CC2=O)c1 ZINC000015453493 182003027 /nfs/dbraw/zinc/00/30/27/182003027.db2.gz OMZFBJKQVQCWEW-OAHLLOKOSA-N 1 1 315.417 1.430 10 0 DDAEMO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)C(N)=O ZINC000035148806 182756909 /nfs/dbraw/zinc/75/69/09/182756909.db2.gz ITMDCAICVJLQFM-ZCFIWIBFSA-N 1 1 310.247 1.853 10 0 DDAEMO Cn1ccnc1[C@@H](NC(=O)[C@H]1CSC[NH2+]1)c1ccccc1 ZINC000040855844 183142917 /nfs/dbraw/zinc/14/29/17/183142917.db2.gz HDUNTGLXCRWBDK-OLZOCXBDSA-N 1 1 302.403 1.288 10 0 DDAEMO COc1cc(-c2noc([C@H]([NH3+])CCO)n2)cc(Cl)c1OC ZINC000040710800 183121764 /nfs/dbraw/zinc/12/17/64/183121764.db2.gz XGLCPTMDXBOWGN-SECBINFHSA-N 1 1 313.741 1.789 10 0 DDAEMO Cn1cc(C[NH2+]CC(=O)Nc2ccccc2Br)cn1 ZINC000041063659 183161042 /nfs/dbraw/zinc/16/10/42/183161042.db2.gz HERULXVFFKSGOF-UHFFFAOYSA-N 1 1 323.194 1.911 10 0 DDAEMO CCC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)[O-])CCN(C)C ZINC000041674718 183215560 /nfs/dbraw/zinc/21/55/60/183215560.db2.gz FMALVJNYYLMCAG-INIZCTEOSA-N 1 1 301.475 1.882 10 0 DDAEMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@H](C)C(N)=S ZINC000042444669 183270908 /nfs/dbraw/zinc/27/09/08/183270908.db2.gz NJOWVVCPQDYBHU-NSHDSACASA-N 1 1 309.435 1.878 10 0 DDAEMO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000105127604 194076919 /nfs/dbraw/zinc/07/69/19/194076919.db2.gz WRRNDMDCERGCHG-HZPDHXFCSA-N 1 1 308.470 1.598 10 0 DDAEMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000105127604 194076922 /nfs/dbraw/zinc/07/69/22/194076922.db2.gz WRRNDMDCERGCHG-HZPDHXFCSA-N 1 1 308.470 1.598 10 0 DDAEMO CC(=O)N1CCC(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105312900 194095233 /nfs/dbraw/zinc/09/52/33/194095233.db2.gz GJRXVYYLJVHUKC-INIZCTEOSA-N 1 1 322.453 1.125 10 0 DDAEMO CC[C@@H]1CN(Cc2cccc(C(N)=O)c2)CC[N@H+]1C[C@@H](C)O ZINC000105827054 194136889 /nfs/dbraw/zinc/13/68/89/194136889.db2.gz IZCQFKOWEBKAPH-CZUORRHYSA-N 1 1 305.422 1.063 10 0 DDAEMO CC[C@@H]1CN([C@@H](C)C(=O)NCCC(C)C)CC[N@H+]1CCOC ZINC000105836727 194142574 /nfs/dbraw/zinc/14/25/74/194142574.db2.gz NEMIDDYSMVUDKM-JKSUJKDBSA-N 1 1 313.486 1.580 10 0 DDAEMO CCOCC[N@@H+]1CCN(Cc2nc(-c3ccco3)no2)C[C@@H]1C ZINC000105835306 194143030 /nfs/dbraw/zinc/14/30/30/194143030.db2.gz 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CC[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CC[N@H+]1C[C@@H](C)O ZINC000174622590 407971532 /nfs/dbraw/zinc/97/15/32/407971532.db2.gz FKDBCJQOIWBMOJ-OLZOCXBDSA-N 1 1 320.437 1.206 10 0 DDAEMO CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000174663086 407976889 /nfs/dbraw/zinc/97/68/89/407976889.db2.gz RBNVOSZQRSIARK-AWEZNQCLSA-N 1 1 323.437 1.550 10 0 DDAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)Cn1cccn1 ZINC000153843579 407914226 /nfs/dbraw/zinc/91/42/26/407914226.db2.gz NXYYBGNHSBHJIR-HZPDHXFCSA-N 1 1 321.469 1.939 10 0 DDAEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](CO)Cc2ccccc2C)C1 ZINC000188287021 407930571 /nfs/dbraw/zinc/93/05/71/407930571.db2.gz MPQPYDRYYJCPCL-SJORKVTESA-N 1 1 319.449 1.682 10 0 DDAEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)[C@@H](C)C1 ZINC000188321580 407934993 /nfs/dbraw/zinc/93/49/93/407934993.db2.gz UKRHOWFXCDUVAS-LRDDRELGSA-N 1 1 313.401 1.987 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)CC(C)(C)CC(=O)OC)C[C@H]1C ZINC000181457556 407997308 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CC[C@@H]1CN(CCCS(=O)(=O)C(C)C)CC[N@H+]1CCOC ZINC000120028416 408115899 /nfs/dbraw/zinc/11/58/99/408115899.db2.gz MSHVZECJWOQHDT-OAHLLOKOSA-N 1 1 320.499 1.242 10 0 DDAEMO CC[N@@H+](CC(=O)[O-])C1CC(NCc2ccccc2N(C)C)C1 ZINC000263456292 408142681 /nfs/dbraw/zinc/14/26/81/408142681.db2.gz ATNGBOPELMLJDL-UHFFFAOYSA-N 1 1 305.422 1.780 10 0 DDAEMO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccccc2N(C)C)C1 ZINC000263456292 408142685 /nfs/dbraw/zinc/14/26/85/408142685.db2.gz ATNGBOPELMLJDL-UHFFFAOYSA-N 1 1 305.422 1.780 10 0 DDAEMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccccc2N(C)C)C1 ZINC000263456292 408142689 /nfs/dbraw/zinc/14/26/89/408142689.db2.gz ATNGBOPELMLJDL-UHFFFAOYSA-N 1 1 305.422 1.780 10 0 DDAEMO C[N@@H+](C[C@@H](O)COCc1ccc(Cl)cc1)CC1(CO)CC1 ZINC000190041531 408153890 /nfs/dbraw/zinc/15/38/90/408153890.db2.gz IJEOQWBQNHPLOT-OAHLLOKOSA-N 1 1 313.825 1.922 10 0 DDAEMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000263493489 408156501 /nfs/dbraw/zinc/15/65/01/408156501.db2.gz 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CCOCC[N@@H+]1CCN([C@@H](C(=O)OC)c2cccnc2)C[C@H]1C ZINC000246539071 354360322 /nfs/dbraw/zinc/36/03/22/354360322.db2.gz WGGNUNOSMGLCCL-GDBMZVCRSA-N 1 1 321.421 1.338 10 0 DDAEMO CCOCC[N@H+]1CCN([C@@H](C(=O)OC)c2cccnc2)C[C@H]1C ZINC000246539071 354360328 /nfs/dbraw/zinc/36/03/28/354360328.db2.gz WGGNUNOSMGLCCL-GDBMZVCRSA-N 1 1 321.421 1.338 10 0 DDAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000248718522 354370502 /nfs/dbraw/zinc/37/05/02/354370502.db2.gz DAJMYSJRGGTUSG-ZYHUDNBSSA-N 1 1 324.812 1.518 10 0 DDAEMO CC1CCC(O)(C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)CC1 ZINC000328630372 354553068 /nfs/dbraw/zinc/55/30/68/354553068.db2.gz JIPYDFLOMBRLDB-LOIXOFCESA-N 1 1 308.382 1.247 10 0 DDAEMO CC1CCC(O)(C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)CC1 ZINC000328630372 354553070 /nfs/dbraw/zinc/55/30/70/354553070.db2.gz JIPYDFLOMBRLDB-LOIXOFCESA-N 1 1 308.382 1.247 10 0 DDAEMO C[N@@H+](CC1CC1)C[C@H]1CN(C(=O)c2ccc(F)cn2)CCO1 ZINC000328649791 354558966 /nfs/dbraw/zinc/55/89/66/354558966.db2.gz VCTKOJNADGJLLC-AWEZNQCLSA-N 1 1 307.369 1.404 10 0 DDAEMO O=S(=O)(c1ccc(Cl)s1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404151843 354674273 /nfs/dbraw/zinc/67/42/73/354674273.db2.gz MMTLDGVNEZZGTG-DTWKUNHWSA-N 1 1 322.839 1.153 10 0 DDAEMO C[N@@H+]1CCO[C@H](CCNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000074884719 191378616 /nfs/dbraw/zinc/37/86/16/191378616.db2.gz XFOBQBFZGKFDCV-QGZVFWFLSA-N 1 1 313.401 1.928 10 0 DDAEMO C[N@H+]1CCO[C@H](CCNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000074884719 191378619 /nfs/dbraw/zinc/37/86/19/191378619.db2.gz XFOBQBFZGKFDCV-QGZVFWFLSA-N 1 1 313.401 1.928 10 0 DDAEMO CC(=O)N1CCOc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc21 ZINC000074888034 191380197 /nfs/dbraw/zinc/38/01/97/191380197.db2.gz OLOFDCLZNSNEMU-NSHDSACASA-N 1 1 307.375 1.033 10 0 DDAEMO CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)NC(=O)CS3)CC1 ZINC000074971492 191399079 /nfs/dbraw/zinc/39/90/79/191399079.db2.gz QPLRSKDTDWCUCO-UHFFFAOYSA-N 1 1 319.430 1.437 10 0 DDAEMO COc1c(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c(C)nn1C ZINC000180128686 199119901 /nfs/dbraw/zinc/11/99/01/199119901.db2.gz QASIJOSXWCSHEC-AWEZNQCLSA-N 1 1 303.410 1.907 10 0 DDAEMO C[C@@H](O)CN1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000193247456 201012730 /nfs/dbraw/zinc/01/27/30/201012730.db2.gz QMIJOPPCYKKPPT-JKSUJKDBSA-N 1 1 318.461 1.941 10 0 DDAEMO C[C@@H](O)C[N@@H+]1CCN(CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000193247456 201012733 /nfs/dbraw/zinc/01/27/33/201012733.db2.gz QMIJOPPCYKKPPT-JKSUJKDBSA-N 1 1 318.461 1.941 10 0 DDAEMO C[C@@H](O)C[N@H+]1CCN(CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000193247456 201012735 /nfs/dbraw/zinc/01/27/35/201012735.db2.gz QMIJOPPCYKKPPT-JKSUJKDBSA-N 1 1 318.461 1.941 10 0 DDAEMO O=C(Nc1ccc(Cl)cn1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000193457878 201054966 /nfs/dbraw/zinc/05/49/66/201054966.db2.gz NRIFGEDVCTYLIY-GFCCVEGCSA-N 1 1 322.796 1.370 10 0 DDAEMO O=C(Nc1ccc(Cl)cn1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000193457878 201054970 /nfs/dbraw/zinc/05/49/70/201054970.db2.gz NRIFGEDVCTYLIY-GFCCVEGCSA-N 1 1 322.796 1.370 10 0 DDAEMO Cc1cc(CNC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)on1 ZINC000194681130 201272786 /nfs/dbraw/zinc/27/27/86/201272786.db2.gz XVLCLHZBIMXIHZ-CYBMUJFWSA-N 1 1 322.409 1.378 10 0 DDAEMO CNC(=O)c1ccc(NC(=O)c2csc([C@H](C)[NH3+])n2)cc1 ZINC000090948065 192960368 /nfs/dbraw/zinc/96/03/68/192960368.db2.gz LPLBUODLMRBGFJ-QMMMGPOBSA-N 1 1 304.375 1.775 10 0 DDAEMO O=C(Nc1cccnc1Cl)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000091244789 193025366 /nfs/dbraw/zinc/02/53/66/193025366.db2.gz IFMCVPQUXSDLBN-NSHDSACASA-N 1 1 322.796 1.370 10 0 DDAEMO O=C(Nc1cccnc1Cl)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000091244789 193025370 /nfs/dbraw/zinc/02/53/70/193025370.db2.gz IFMCVPQUXSDLBN-NSHDSACASA-N 1 1 322.796 1.370 10 0 DDAEMO C[NH2+][C@H](C(=O)Nc1cc(C(=O)OC)ccc1F)c1cnn(C)c1 ZINC000262289655 203250990 /nfs/dbraw/zinc/25/09/90/203250990.db2.gz YHFSNFOQJXDUJX-ZDUSSCGKSA-N 1 1 320.324 1.245 10 0 DDAEMO CCCN[C@@]1(C(=O)OC)CC[C@H]([N@@H+](CC)CCOCC)C1 ZINC000093830695 193314325 /nfs/dbraw/zinc/31/43/25/193314325.db2.gz KJFGHJCHDSQKST-HOCLYGCPSA-N 1 1 300.443 1.809 10 0 DDAEMO CC(C)[N@@H+]1CCO[C@H](COc2c(F)cc(CO)cc2F)C1 ZINC000094349043 193363154 /nfs/dbraw/zinc/36/31/54/193363154.db2.gz SFPOBRMJZOLQJS-LBPRGKRZSA-N 1 1 301.333 1.945 10 0 DDAEMO CC(C)[N@H+]1CCO[C@H](COc2c(F)cc(CO)cc2F)C1 ZINC000094349043 193363155 /nfs/dbraw/zinc/36/31/55/193363155.db2.gz SFPOBRMJZOLQJS-LBPRGKRZSA-N 1 1 301.333 1.945 10 0 DDAEMO CCOC(=O)[C@H]([NH3+])CCS[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094637103 193387336 /nfs/dbraw/zinc/38/73/36/193387336.db2.gz SMDJMYWZFHCMMF-GRYCIOLGSA-N 1 1 323.480 1.356 10 0 DDAEMO CS(=O)(=O)[C@@H]1CCC[C@@H](N2CCC(OCCC[NH3+])CC2)C1 ZINC000094638902 193387737 /nfs/dbraw/zinc/38/77/37/193387737.db2.gz OIMKPBRIWSONLG-UKRRQHHQSA-N 1 1 318.483 1.172 10 0 DDAEMO Cc1cccc(N)c1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094457211 193370912 /nfs/dbraw/zinc/37/09/12/193370912.db2.gz ZJPHNZHKJKWVEC-QWHCGFSZSA-N 1 1 309.435 1.434 10 0 DDAEMO Brc1cn2ccnc2c(N2CC[NH+](C3CC3)CC2)n1 ZINC000094488591 193373522 /nfs/dbraw/zinc/37/35/22/193373522.db2.gz NAMYCVWWXHPNKO-UHFFFAOYSA-N 1 1 322.210 1.776 10 0 DDAEMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(N)c2)C1 ZINC000019775427 182146995 /nfs/dbraw/zinc/14/69/95/182146995.db2.gz MVFSHBOSXMQFBB-ZDUSSCGKSA-N 1 1 319.405 1.791 10 0 DDAEMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(N)c2)C1 ZINC000019775427 182146997 /nfs/dbraw/zinc/14/69/97/182146997.db2.gz MVFSHBOSXMQFBB-ZDUSSCGKSA-N 1 1 319.405 1.791 10 0 DDAEMO Cc1c(N)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000040671942 183116261 /nfs/dbraw/zinc/11/62/61/183116261.db2.gz YHLQCWHODMSKGL-JTQLQIEISA-N 1 1 317.842 1.603 10 0 DDAEMO Cc1c(N)cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000040671942 183116263 /nfs/dbraw/zinc/11/62/63/183116263.db2.gz YHLQCWHODMSKGL-JTQLQIEISA-N 1 1 317.842 1.603 10 0 DDAEMO NC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccc(C(N)=S)cc1 ZINC000042405042 183265489 /nfs/dbraw/zinc/26/54/89/183265489.db2.gz BYLQKHVGFLMULK-ZDUSSCGKSA-N 1 1 307.419 1.039 10 0 DDAEMO NC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccc(C(N)=S)cc1 ZINC000042405042 183265491 /nfs/dbraw/zinc/26/54/91/183265491.db2.gz BYLQKHVGFLMULK-ZDUSSCGKSA-N 1 1 307.419 1.039 10 0 DDAEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(C(N)=S)cc1F ZINC000042428945 183269488 /nfs/dbraw/zinc/26/94/88/183269488.db2.gz SMEVEDHUKIFCJH-BXKDBHETSA-N 1 1 309.410 1.546 10 0 DDAEMO CCC(CC)[N@H+](CCOC)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000042616038 183291383 /nfs/dbraw/zinc/29/13/83/183291383.db2.gz LZOLBHVRCXVQBB-LSDHHAIUSA-N 1 1 300.443 1.746 10 0 DDAEMO CCC(CC)[N@@H+](CCOC)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000042616038 183291385 /nfs/dbraw/zinc/29/13/85/183291385.db2.gz LZOLBHVRCXVQBB-LSDHHAIUSA-N 1 1 300.443 1.746 10 0 DDAEMO CN(CCC(N)=S)C(=O)CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043425502 183361557 /nfs/dbraw/zinc/36/15/57/183361557.db2.gz MTKALUZKPAOKAB-QWHCGFSZSA-N 1 1 313.467 1.155 10 0 DDAEMO NC(=S)c1ccccc1OCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043425461 183362049 /nfs/dbraw/zinc/36/20/49/183362049.db2.gz MIXATIOKOWUXOC-ZFWWWQNUSA-N 1 1 306.431 1.953 10 0 DDAEMO NC(=S)c1ccccc1OCC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043425461 183362054 /nfs/dbraw/zinc/36/20/54/183362054.db2.gz MIXATIOKOWUXOC-ZFWWWQNUSA-N 1 1 306.431 1.953 10 0 DDAEMO CCN(CC)C(=O)CCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105145508 194079187 /nfs/dbraw/zinc/07/91/87/194079187.db2.gz AFQAKVYMFXBTFF-OAHLLOKOSA-N 1 1 324.469 1.515 10 0 DDAEMO C[C@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000105198499 194084057 /nfs/dbraw/zinc/08/40/57/194084057.db2.gz PXWIMTQLIUTLQW-IAGOWNOFSA-N 1 1 322.497 1.987 10 0 DDAEMO COCC[N@H+]1CCN(Cc2cc(C(=O)OC)c(C)o2)C[C@H]1C ZINC000105831796 194139450 /nfs/dbraw/zinc/13/94/50/194139450.db2.gz OLWBWLCRANDLDZ-GFCCVEGCSA-N 1 1 310.394 1.527 10 0 DDAEMO CC(C)CNC(=O)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802691 194132434 /nfs/dbraw/zinc/13/24/34/194132434.db2.gz PDGNPHSOEGIKBK-AWEZNQCLSA-N 1 1 305.426 1.149 10 0 DDAEMO Cc1ncc(CN2CC[NH+](CCC(=O)NC(C)C)CC2)s1 ZINC000105814320 194135183 /nfs/dbraw/zinc/13/51/83/194135183.db2.gz LHCAEWMCTIFTKE-UHFFFAOYSA-N 1 1 310.467 1.484 10 0 DDAEMO CCOCC[N@H+]1CCN(CC(=O)N2CCCCC2)C[C@@H]1CC ZINC000105837801 194144642 /nfs/dbraw/zinc/14/46/42/194144642.db2.gz PGEZHQWKIYLEON-INIZCTEOSA-N 1 1 311.470 1.432 10 0 DDAEMO CC(C)COC[C@@H](O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105902052 194167271 /nfs/dbraw/zinc/16/72/71/194167271.db2.gz VFGWPQQGPCJVLU-HNNXBMFYSA-N 1 1 308.426 1.022 10 0 DDAEMO Cn1cc(C[N@@H+]2CCCN(CC(=O)OC(C)(C)C)CC2)cn1 ZINC000105917497 194167886 /nfs/dbraw/zinc/16/78/86/194167886.db2.gz BLNSRWMGJBSMFU-UHFFFAOYSA-N 1 1 308.426 1.270 10 0 DDAEMO Cn1cc(C[N@H+]2CCCN(CC(=O)OC(C)(C)C)CC2)cn1 ZINC000105917497 194167889 /nfs/dbraw/zinc/16/78/89/194167889.db2.gz BLNSRWMGJBSMFU-UHFFFAOYSA-N 1 1 308.426 1.270 10 0 DDAEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1C ZINC000105914197 194169836 /nfs/dbraw/zinc/16/98/36/194169836.db2.gz OQIIAWKNKNKMGY-HOTGVXAUSA-N 1 1 311.470 1.430 10 0 DDAEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1C ZINC000105914197 194169838 /nfs/dbraw/zinc/16/98/38/194169838.db2.gz OQIIAWKNKNKMGY-HOTGVXAUSA-N 1 1 311.470 1.430 10 0 DDAEMO C[C@H]1[NH2+]CCN(Cc2ccc(Br)cc2F)C1=O ZINC000110673440 194348601 /nfs/dbraw/zinc/34/86/01/194348601.db2.gz XVYUNZLUCJYRJY-MRVPVSSYSA-N 1 1 301.159 1.909 10 0 DDAEMO C[C@H]1CN(c2nc(Cl)nc(N3CCCCC3)n2)CC[N@@H+]1C ZINC000110693052 194350582 /nfs/dbraw/zinc/35/05/82/194350582.db2.gz GPLAYUHGKAXCFV-NSHDSACASA-N 1 1 310.833 1.656 10 0 DDAEMO C[C@H]1CN(c2nc(Cl)nc(N3CCCCC3)n2)CC[N@H+]1C ZINC000110693052 194350583 /nfs/dbraw/zinc/35/05/83/194350583.db2.gz GPLAYUHGKAXCFV-NSHDSACASA-N 1 1 310.833 1.656 10 0 DDAEMO Nc1cccc(Cl)c1-c1nnnn1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000111014434 194383122 /nfs/dbraw/zinc/38/31/22/194383122.db2.gz RSPCYKMQTRBXHH-SNVBAGLBSA-N 1 1 304.785 1.985 10 0 DDAEMO COc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000111159979 194397984 /nfs/dbraw/zinc/39/79/84/194397984.db2.gz 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JSRKFBBOIQPVCF-NVXWUHKLSA-N 1 1 301.434 1.780 10 0 DDAEMO Cc1ccccc1C(=O)NCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247141908 408415968 /nfs/dbraw/zinc/41/59/68/408415968.db2.gz JSSPJIACSGYHFE-CABCVRRESA-N 1 1 315.417 1.420 10 0 DDAEMO Cc1noc2ncc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)cc12 ZINC000247150220 408418536 /nfs/dbraw/zinc/41/85/36/408418536.db2.gz KBBBCRQBNRMLMC-ZWNOBZJWSA-N 1 1 300.362 1.840 10 0 DDAEMO COCC[N@@H+]1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1C ZINC000247172315 408420998 /nfs/dbraw/zinc/42/09/98/408420998.db2.gz MZUFWQDYXJVASH-HZPDHXFCSA-N 1 1 313.486 1.673 10 0 DDAEMO COCC[N@H+]1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1C ZINC000247172315 408421004 /nfs/dbraw/zinc/42/10/04/408421004.db2.gz MZUFWQDYXJVASH-HZPDHXFCSA-N 1 1 313.486 1.673 10 0 DDAEMO COCC[N@@H+]1CCN(CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000247376086 408459882 /nfs/dbraw/zinc/45/98/82/408459882.db2.gz VHTJWWJMVLCUTH-INIZCTEOSA-N 1 1 319.449 1.894 10 0 DDAEMO COCC[N@H+]1CCN(CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000247376086 408459885 /nfs/dbraw/zinc/45/98/85/408459885.db2.gz VHTJWWJMVLCUTH-INIZCTEOSA-N 1 1 319.449 1.894 10 0 DDAEMO O=S(=O)(c1cc(F)c(F)cc1F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247235264 408433616 /nfs/dbraw/zinc/43/36/16/408433616.db2.gz DHOVQXWSJFVLOL-VIFPVBQESA-N 1 1 320.336 1.573 10 0 DDAEMO CCNC(=O)NC1(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CCCC1 ZINC000247527120 408486380 /nfs/dbraw/zinc/48/63/80/408486380.db2.gz ZMZSATOQMOKZEW-ZIAGYGMSSA-N 1 1 324.469 1.463 10 0 DDAEMO CCNC(=O)NC1(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CCCC1 ZINC000247527114 408486626 /nfs/dbraw/zinc/48/66/26/408486626.db2.gz ZMZSATOQMOKZEW-KGLIPLIRSA-N 1 1 324.469 1.463 10 0 DDAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccn(C)c1=O ZINC000177056604 408508776 /nfs/dbraw/zinc/50/87/76/408508776.db2.gz PXAKVAYPMZYLJR-CYBMUJFWSA-N 1 1 315.377 1.587 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](O)COCc1ccccc1 ZINC000247814359 408511801 /nfs/dbraw/zinc/51/18/01/408511801.db2.gz VVDXCZQGDJJXTG-ZWKOTPCHSA-N 1 1 306.450 1.980 10 0 DDAEMO CCN1CCC[C@H]1C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000247814359 408511806 /nfs/dbraw/zinc/51/18/06/408511806.db2.gz VVDXCZQGDJJXTG-ZWKOTPCHSA-N 1 1 306.450 1.980 10 0 DDAEMO CCN1CCC[C@H]1C[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000247814359 408511810 /nfs/dbraw/zinc/51/18/10/408511810.db2.gz VVDXCZQGDJJXTG-ZWKOTPCHSA-N 1 1 306.450 1.980 10 0 DDAEMO CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247954882 408520434 /nfs/dbraw/zinc/52/04/34/408520434.db2.gz FKHDLYCBEZLXBI-YQQAZPJKSA-N 1 1 312.454 1.545 10 0 DDAEMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000248003140 408525983 /nfs/dbraw/zinc/52/59/83/408525983.db2.gz KPHVFIVATCJMFP-XYJFISCASA-N 1 1 323.481 1.166 10 0 DDAEMO CCCC[C@@H](C(=O)OC)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000247400336 408464510 /nfs/dbraw/zinc/46/45/10/408464510.db2.gz YHZPLFIBILROJO-GJZGRUSLSA-N 1 1 300.443 1.761 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1 ZINC000176900561 408470847 /nfs/dbraw/zinc/47/08/47/408470847.db2.gz VFYCMAFNQKIWIN-AWEZNQCLSA-N 1 1 307.369 1.707 10 0 DDAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000248623738 408601319 /nfs/dbraw/zinc/60/13/19/408601319.db2.gz NCDATSCXHPJZER-UONOGXRCSA-N 1 1 322.384 1.136 10 0 DDAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccn(C)c(=O)c1 ZINC000177218314 408555473 /nfs/dbraw/zinc/55/54/73/408555473.db2.gz DRDYMODVYIQCBI-CQSZACIVSA-N 1 1 300.362 1.195 10 0 DDAEMO C[N@@H+](CCNC(=O)N[C@H]1CCCn2ncnc21)C1CCCC1 ZINC000177352443 408588021 /nfs/dbraw/zinc/58/80/21/408588021.db2.gz PXKHFGWUPAHHCM-ZDUSSCGKSA-N 1 1 306.414 1.287 10 0 DDAEMO O=S(=O)(CCN1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000192578004 408613843 /nfs/dbraw/zinc/61/38/43/408613843.db2.gz NDDODENKRQXJGJ-CQSZACIVSA-N 1 1 312.410 1.379 10 0 DDAEMO O=S(=O)(CCN1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000192578004 408613850 /nfs/dbraw/zinc/61/38/50/408613850.db2.gz NDDODENKRQXJGJ-CQSZACIVSA-N 1 1 312.410 1.379 10 0 DDAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCCCCO ZINC000192724668 408636961 /nfs/dbraw/zinc/63/69/61/408636961.db2.gz KNAFBNCPEORSRC-HNNXBMFYSA-N 1 1 308.426 1.918 10 0 DDAEMO O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)N1CCc2sccc2C1 ZINC000177754463 408704113 /nfs/dbraw/zinc/70/41/13/408704113.db2.gz HVLFEIGUNZIQEN-OAHLLOKOSA-N 1 1 319.474 1.803 10 0 DDAEMO O[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)CN1CCCCC1 ZINC000193276158 408707950 /nfs/dbraw/zinc/70/79/50/408707950.db2.gz FWGCFNSFMBDLBY-GOSISDBHSA-N 1 1 318.461 1.991 10 0 DDAEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000193536233 408725981 /nfs/dbraw/zinc/72/59/81/408725981.db2.gz DAJMYSJRGGTUSG-JQWIXIFHSA-N 1 1 324.812 1.518 10 0 DDAEMO OC[C@H]1C[C@@H](O)C[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000184716200 408674520 /nfs/dbraw/zinc/67/45/20/408674520.db2.gz RBDOTRSXAUPESY-CHWSQXEVSA-N 1 1 323.780 1.360 10 0 DDAEMO COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000184724758 408675254 /nfs/dbraw/zinc/67/52/54/408675254.db2.gz GMBITRJGWIXSLS-MNOVXSKESA-N 1 1 321.398 1.615 10 0 DDAEMO COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000184724758 408675262 /nfs/dbraw/zinc/67/52/62/408675262.db2.gz GMBITRJGWIXSLS-MNOVXSKESA-N 1 1 321.398 1.615 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000249163112 408701498 /nfs/dbraw/zinc/70/14/98/408701498.db2.gz JQPJNFREWPFTLW-FZMZJTMJSA-N 1 1 305.353 1.459 10 0 DDAEMO Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000177971761 408748107 /nfs/dbraw/zinc/74/81/07/408748107.db2.gz PCIZRQYGSKICCF-GFCCVEGCSA-N 1 1 321.808 1.894 10 0 DDAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCCCNc2ccc(C)cn2)C1 ZINC000194149559 408767692 /nfs/dbraw/zinc/76/76/92/408767692.db2.gz JIBUPHYNCBFYQP-OAHLLOKOSA-N 1 1 319.453 1.976 10 0 DDAEMO CCc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C2)n1 ZINC000249891551 408768526 /nfs/dbraw/zinc/76/85/26/408768526.db2.gz QNVFBIGLYJSHLM-GHMZBOCLSA-N 1 1 324.450 1.729 10 0 DDAEMO CCc1csc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC)C2)n1 ZINC000249891551 408768532 /nfs/dbraw/zinc/76/85/32/408768532.db2.gz QNVFBIGLYJSHLM-GHMZBOCLSA-N 1 1 324.450 1.729 10 0 DDAEMO FC(F)C(F)(F)COCC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000189319043 163095361 /nfs/dbraw/zinc/09/53/61/163095361.db2.gz DAPNOZSFBVRHQO-NSHDSACASA-N 1 1 324.322 1.907 10 0 DDAEMO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1nnnn1C1CCCCC1 ZINC000189833917 163121140 /nfs/dbraw/zinc/12/11/40/163121140.db2.gz IBCZDNOQYBWEIU-JSGCOSHPSA-N 1 1 308.430 1.160 10 0 DDAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000193376373 163254182 /nfs/dbraw/zinc/25/41/82/163254182.db2.gz DUQZHDSRQVPBAW-LSDHHAIUSA-N 1 1 310.442 1.655 10 0 DDAEMO CCc1csc([C@H]2CCC[N@@H+](CCCC(=O)NC(N)=O)C2)n1 ZINC000195384168 163319957 /nfs/dbraw/zinc/31/99/57/163319957.db2.gz OOANPEQSFCAMBU-NSHDSACASA-N 1 1 324.450 1.860 10 0 DDAEMO CN(C)c1cc[nH+]c(NCc2ccnc(O[C@@H]3CCOC3)c2)n1 ZINC000301896754 410823486 /nfs/dbraw/zinc/82/34/86/410823486.db2.gz QPSMTTBZBDYGGN-CYBMUJFWSA-N 1 1 315.377 1.717 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(N)=O)cc1 ZINC000246861229 287229071 /nfs/dbraw/zinc/22/90/71/287229071.db2.gz DGXKEDJMMWURPE-CABCVRRESA-N 1 1 301.390 1.484 10 0 DDAEMO Cc1n[nH]cc1CCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000130783525 196109114 /nfs/dbraw/zinc/10/91/14/196109114.db2.gz BAKAHWBKTZHVSD-SWLSCSKDSA-N 1 1 307.442 1.679 10 0 DDAEMO CCO[C@H]1C[C@@](CO)([NH2+]Cc2nnc(C3CC3)n2C)C1(C)C ZINC000189964507 222063561 /nfs/dbraw/zinc/06/35/61/222063561.db2.gz CPKMPWNGEAVQMW-LRDDRELGSA-N 1 1 308.426 1.348 10 0 DDAEMO CC[N@H+]1CC[C@H](NCc2c(Br)c(C)nn2C)C1 ZINC000389550177 418749884 /nfs/dbraw/zinc/74/98/84/418749884.db2.gz OHILJECOJNLPIA-JTQLQIEISA-N 1 1 301.232 1.675 10 0 DDAEMO CCOC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000528719439 421511835 /nfs/dbraw/zinc/51/18/35/421511835.db2.gz JMKNIVCLZQUFTG-IRXDYDNUSA-N 1 1 309.406 1.301 10 0 DDAEMO CCOC[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000528719439 421511837 /nfs/dbraw/zinc/51/18/37/421511837.db2.gz JMKNIVCLZQUFTG-IRXDYDNUSA-N 1 1 309.406 1.301 10 0 DDAEMO Cn1cncc1[C@H]1[C@H](CNC(=O)c2ccon2)CCC[N@H+]1C ZINC000583621142 422208312 /nfs/dbraw/zinc/20/83/12/422208312.db2.gz BVEMMGKYQPIGHI-SMDDNHRTSA-N 1 1 303.366 1.221 10 0 DDAEMO CCCc1cc(N2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)nc(C)[nH+]1 ZINC000072407837 262543496 /nfs/dbraw/zinc/54/34/96/262543496.db2.gz SANMBYLPEIDDRO-CQSZACIVSA-N 1 1 318.421 1.771 10 0 DDAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@H](c2cccnn2)CC1 ZINC000616595091 422513177 /nfs/dbraw/zinc/51/31/77/422513177.db2.gz SBECGBVKABTXJN-AWEZNQCLSA-N 1 1 322.409 1.765 10 0 DDAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@H](c2cccnn2)CC1 ZINC000616595091 422513187 /nfs/dbraw/zinc/51/31/87/422513187.db2.gz SBECGBVKABTXJN-AWEZNQCLSA-N 1 1 322.409 1.765 10 0 DDAEMO COCC[N@@H+]1CCN([C@@H]2CCc3ccccc3NC2=O)C[C@@H]1C ZINC000192001276 274029734 /nfs/dbraw/zinc/02/97/34/274029734.db2.gz JEFDJSALYJVPLU-WMLDXEAASA-N 1 1 317.433 1.592 10 0 DDAEMO COCC[N@H+]1CCN([C@@H]2CCc3ccccc3NC2=O)C[C@@H]1C 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CC[C@H]1CN(C(=O)Nc2cccnc2OC)CC[N@H+]1C[C@@H](C)O ZINC000173272075 198204045 /nfs/dbraw/zinc/20/40/45/198204045.db2.gz YOYXUJIXVHTADH-OLZOCXBDSA-N 1 1 322.409 1.399 10 0 DDAEMO C[C@H](CCNC(=O)[C@H]1CNC(=O)C1)[N@@H+](C)Cc1ccccc1 ZINC000173597009 198231092 /nfs/dbraw/zinc/23/10/92/198231092.db2.gz QGISJSGNDYJVJF-UKRRQHHQSA-N 1 1 303.406 1.149 10 0 DDAEMO O=C(CCCC[NH+]1CCOCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000075633022 353373244 /nfs/dbraw/zinc/37/32/44/353373244.db2.gz UOCVVFBDXIMAAM-CVEARBPZSA-N 1 1 310.438 1.659 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1C ZINC000117276173 353992917 /nfs/dbraw/zinc/99/29/17/353992917.db2.gz AHVKBIIGNMNTHM-CYBMUJFWSA-N 1 1 320.437 1.471 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1C ZINC000117276173 353992919 /nfs/dbraw/zinc/99/29/19/353992919.db2.gz AHVKBIIGNMNTHM-CYBMUJFWSA-N 1 1 320.437 1.471 10 0 DDAEMO CC[C@@H]1CN(C(=O)NCc2cccc(C)n2)CC[N@H+]1CCOC ZINC000117482693 353994519 /nfs/dbraw/zinc/99/45/19/353994519.db2.gz 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ZINC000091761309 193103217 /nfs/dbraw/zinc/10/32/17/193103217.db2.gz APIOUJBJLUTEJO-GFCCVEGCSA-N 1 1 309.435 1.665 10 0 DDAEMO CCn1cc(O[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)cn1 ZINC000625614272 367049432 /nfs/dbraw/zinc/04/94/32/367049432.db2.gz SSFQLOZIRXGAGK-HZPDHXFCSA-N 1 1 309.410 1.144 10 0 DDAEMO Cn1cc(O[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2O)cn1 ZINC000625629022 367057953 /nfs/dbraw/zinc/05/79/53/367057953.db2.gz ONRKOYKHNYFPJP-QZTJIDSGSA-N 1 1 324.384 1.592 10 0 DDAEMO O=C([C@@H]1CSc2ccccc21)N1CCC[N@H+](CCO)CC1 ZINC000092238877 193178128 /nfs/dbraw/zinc/17/81/28/193178128.db2.gz WWOQNRQNFAWEHH-CQSZACIVSA-N 1 1 306.431 1.403 10 0 DDAEMO CCOC(=O)c1ccc(NC(=O)[C@H]([NH2+]C)c2cnn(C)c2)cc1 ZINC000262011037 203173145 /nfs/dbraw/zinc/17/31/45/203173145.db2.gz BYCPETXDIPZUOA-CQSZACIVSA-N 1 1 316.361 1.496 10 0 DDAEMO COC[C@H](C)[N@@H+](C)CC[C@@H]1CCC[C@@]1([NH2+]C(C)C)C(=O)[O-] ZINC000093590197 193271036 /nfs/dbraw/zinc/27/10/36/193271036.db2.gz VGAUKCXLLIFHKB-DZKIICNBSA-N 1 1 300.443 1.965 10 0 DDAEMO CCOC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSCCS(C)(=O)=O ZINC000093630933 193277380 /nfs/dbraw/zinc/27/73/80/193277380.db2.gz OUCHJBSRTQTDKU-DGCLKSJQSA-N 1 1 323.480 1.215 10 0 DDAEMO CCCN[C@]1(C(=O)OCC)CCC[C@@H]([N@@H+](C)CCOC)C1 ZINC000093752443 193299455 /nfs/dbraw/zinc/29/94/55/193299455.db2.gz WMQZKBCPGPARKV-GDBMZVCRSA-N 1 1 300.443 1.809 10 0 DDAEMO CCC[NH2+][C@]1(C(=O)OCC)CC[C@@H](Sc2nncn2C)C1 ZINC000093850615 193318246 /nfs/dbraw/zinc/31/82/46/193318246.db2.gz FDAWYSCXDMDKLV-BXUZGUMPSA-N 1 1 312.439 1.761 10 0 DDAEMO CCC[NH2+][C@](C)(CCCSC[C@H](O)CO)C(=O)OCC ZINC000093960321 193332252 /nfs/dbraw/zinc/33/22/52/193332252.db2.gz PMUOVARJRROICK-TZMCWYRMSA-N 1 1 307.456 1.174 10 0 DDAEMO COCC[N@@H+](C)CCNc1ccc(C(=O)OC)c(F)c1F ZINC000094271527 193356086 /nfs/dbraw/zinc/35/60/86/193356086.db2.gz YVIALJLGEIIRMI-UHFFFAOYSA-N 1 1 302.321 1.742 10 0 DDAEMO Cc1csc(NC(=O)CN(CC2CC[NH2+]CC2)C2CC2)n1 ZINC000094042570 193340665 /nfs/dbraw/zinc/34/06/65/193340665.db2.gz UMMULOFYSTZETD-UHFFFAOYSA-N 1 1 308.451 1.854 10 0 DDAEMO COc1cc(C)c(N)cc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000094512400 193376970 /nfs/dbraw/zinc/37/69/70/193376970.db2.gz ZCLRTGYPGROUBF-UHFFFAOYSA-N 1 1 315.439 1.204 10 0 DDAEMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc3cc(N)ccc32)C1 ZINC000094786927 193398394 /nfs/dbraw/zinc/39/83/94/193398394.db2.gz ZKGNNEKXRDBWNS-CYBMUJFWSA-N 1 1 305.403 1.404 10 0 DDAEMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc3cc(N)ccc32)C1 ZINC000094786927 193398395 /nfs/dbraw/zinc/39/83/95/193398395.db2.gz ZKGNNEKXRDBWNS-CYBMUJFWSA-N 1 1 305.403 1.404 10 0 DDAEMO COCCN1CCN(C(=O)N2CCCC2)Cc2ccc(C)[nH+]c21 ZINC000096069232 193519662 /nfs/dbraw/zinc/51/96/62/193519662.db2.gz VZNKUKXWCDAEGV-UHFFFAOYSA-N 1 1 318.421 1.874 10 0 DDAEMO COc1ccc(OC)c(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000019806959 182152803 /nfs/dbraw/zinc/15/28/03/182152803.db2.gz QYQXFJYAWAVNKJ-LLVKDONJSA-N 1 1 300.380 1.198 10 0 DDAEMO C[C@H](C(=O)Nc1ccc(C(N)=S)cc1)[NH+]1CCC(O)CC1 ZINC000021518285 182277690 /nfs/dbraw/zinc/27/76/90/182277690.db2.gz ZVMKNKICWLPKNB-SNVBAGLBSA-N 1 1 307.419 1.105 10 0 DDAEMO COC(=O)[C@@H]([NH3+])Cc1ccccc1I ZINC000022003123 182302853 /nfs/dbraw/zinc/30/28/53/182302853.db2.gz CNFGADUGLUGHKQ-VIFPVBQESA-N 1 1 305.115 1.334 10 0 DDAEMO c1c(C[N@H+]2CC[C@H](N3CCOCC3)C2)[nH]nc1-c1ccccc1 ZINC000121096930 248268566 /nfs/dbraw/zinc/26/85/66/248268566.db2.gz UQXPRVPAVDHJSQ-KRWDZBQOSA-N 1 1 312.417 1.983 10 0 DDAEMO C[NH+]1CCN(CCCC(=O)Nc2cc(Cl)ccc2N)CC1 ZINC000040162751 183042985 /nfs/dbraw/zinc/04/29/85/183042985.db2.gz JMGAUPBGNIIQMM-UHFFFAOYSA-N 1 1 310.829 1.888 10 0 DDAEMO Cc1ccc(N)cc1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040620922 183109948 /nfs/dbraw/zinc/10/99/48/183109948.db2.gz YDTBUUMEZQKPMH-CYBMUJFWSA-N 1 1 311.451 1.586 10 0 DDAEMO CCCN(CCN(C)C)S(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000041681747 183216652 /nfs/dbraw/zinc/21/66/52/183216652.db2.gz GPNQONDKWZLDLM-ZDUSSCGKSA-N 1 1 313.467 1.669 10 0 DDAEMO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)N1CCCCCC1 ZINC000105798365 194130335 /nfs/dbraw/zinc/13/03/35/194130335.db2.gz UUPIYLDKAFKHGD-UHFFFAOYSA-N 1 1 317.437 1.391 10 0 DDAEMO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)N1CCCCCC1 ZINC000105798365 194130337 /nfs/dbraw/zinc/13/03/37/194130337.db2.gz UUPIYLDKAFKHGD-UHFFFAOYSA-N 1 1 317.437 1.391 10 0 DDAEMO CCOCCCC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105828132 194140022 /nfs/dbraw/zinc/14/00/22/194140022.db2.gz ILNMJBSMTYHABQ-UHFFFAOYSA-N 1 1 308.426 1.271 10 0 DDAEMO CCOCCCC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105828132 194140024 /nfs/dbraw/zinc/14/00/24/194140024.db2.gz ILNMJBSMTYHABQ-UHFFFAOYSA-N 1 1 308.426 1.271 10 0 DDAEMO COCC[N@@H+]1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1C ZINC000105833912 194141828 /nfs/dbraw/zinc/14/18/28/194141828.db2.gz KAKIRULTOGJWNU-HOTGVXAUSA-N 1 1 313.486 1.532 10 0 DDAEMO COCC[N@H+]1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1C ZINC000105833912 194141831 /nfs/dbraw/zinc/14/18/31/194141831.db2.gz KAKIRULTOGJWNU-HOTGVXAUSA-N 1 1 313.486 1.532 10 0 DDAEMO CC[C@@H]1CN(CC(=O)N2CCCCCC2)CC[N@H+]1CCOC ZINC000105835957 194142008 /nfs/dbraw/zinc/14/20/08/194142008.db2.gz FFWHPPWZXLCVIN-MRXNPFEDSA-N 1 1 311.470 1.432 10 0 DDAEMO CC[C@H]1CN(C[C@H](O)c2ccccc2F)CC[N@H+]1CCOC ZINC000105836896 194142027 /nfs/dbraw/zinc/14/20/27/194142027.db2.gz BABWFEULAVRJMW-YOEHRIQHSA-N 1 1 310.413 1.902 10 0 DDAEMO CCOCC[N@H+]1CCN(CC(=O)N(C)CC2CC2)C[C@H]1CC ZINC000105838411 194144719 /nfs/dbraw/zinc/14/47/19/194144719.db2.gz MMVDXMHQKSYWKE-MRXNPFEDSA-N 1 1 311.470 1.288 10 0 DDAEMO Cc1cnn([C@H]2CCC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)c1 ZINC000105901225 194164956 /nfs/dbraw/zinc/16/49/56/194164956.db2.gz HSZPBHIJLQRFDT-ZDUSSCGKSA-N 1 1 319.409 1.159 10 0 DDAEMO CC[C@H]1CN(C[C@H](O)COC(C)(C)C)CC[N@H+]1CCOC ZINC000105914530 194170064 /nfs/dbraw/zinc/17/00/64/194170064.db2.gz RNIUPNUOYIDAFR-GJZGRUSLSA-N 1 1 302.459 1.205 10 0 DDAEMO CC[C@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CCN1CCOC ZINC000105914530 194170066 /nfs/dbraw/zinc/17/00/66/194170066.db2.gz RNIUPNUOYIDAFR-GJZGRUSLSA-N 1 1 302.459 1.205 10 0 DDAEMO CC[C@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)CCN1CCOC ZINC000105914530 194170068 /nfs/dbraw/zinc/17/00/68/194170068.db2.gz RNIUPNUOYIDAFR-GJZGRUSLSA-N 1 1 302.459 1.205 10 0 DDAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000106397158 194206648 /nfs/dbraw/zinc/20/66/48/194206648.db2.gz JWKHYWFHCXPEKF-QGZVFWFLSA-N 1 1 302.418 1.704 10 0 DDAEMO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)C(N)=S)CC[N@@H+]1C ZINC000110752962 194357434 /nfs/dbraw/zinc/35/74/34/194357434.db2.gz NBDDBRDAAREDSD-OCCSQVGLSA-N 1 1 305.447 1.294 10 0 DDAEMO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)C(N)=S)CC[N@H+]1C ZINC000110752962 194357437 /nfs/dbraw/zinc/35/74/37/194357437.db2.gz NBDDBRDAAREDSD-OCCSQVGLSA-N 1 1 305.447 1.294 10 0 DDAEMO C[N@H+]1CC[C@@H](NC(=O)c2cc(N)c(F)cc2Br)C1 ZINC000061088714 184161472 /nfs/dbraw/zinc/16/14/72/184161472.db2.gz PZLUTUZYAJXFHE-SSDOTTSWSA-N 1 1 316.174 1.604 10 0 DDAEMO C[C@]([NH3+])(CCCC[NH+]1CCN(CC(F)(F)F)CC1)C(=O)[O-] ZINC000061943277 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Cc1cccc(C[N@H+]2C[C@H]3COC[C@@]3(CN3CCOCC3)C2)n1 ZINC000247874924 257114762 /nfs/dbraw/zinc/11/47/62/257114762.db2.gz NQTUWECNCXTOCJ-FUHWJXTLSA-N 1 1 317.433 1.171 10 0 DDAEMO C[C@@H]1C[N@@H+](C)C[C@]12COCCN(C(=O)c1ccncc1F)C2 ZINC000247721630 257119261 /nfs/dbraw/zinc/11/92/61/257119261.db2.gz BDVHNCOQTCVSEL-WBMJQRKESA-N 1 1 307.369 1.261 10 0 DDAEMO O=C(Nc1cnccn1)[C@@H]1CO[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2C1 ZINC000247517356 257119296 /nfs/dbraw/zinc/11/92/96/257119296.db2.gz WDHUOTTWBJVQQQ-SOUVJXGZSA-N 1 1 316.405 1.552 10 0 DDAEMO CCn1nccc1CN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000121569589 195307389 /nfs/dbraw/zinc/30/73/89/195307389.db2.gz LCLMFYMDWCCSSL-UHFFFAOYSA-N 1 1 302.426 1.344 10 0 DDAEMO CCn1nccc1C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000121569589 195307394 /nfs/dbraw/zinc/30/73/94/195307394.db2.gz LCLMFYMDWCCSSL-UHFFFAOYSA-N 1 1 302.426 1.344 10 0 DDAEMO CCn1nccc1C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000121569589 195307397 /nfs/dbraw/zinc/30/73/97/195307397.db2.gz 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CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H](C)C3CC3)CC2)cn1 ZINC000112714338 407437706 /nfs/dbraw/zinc/43/77/06/407437706.db2.gz NWPWYCURPTVNLK-CQSZACIVSA-N 1 1 319.453 1.919 10 0 DDAEMO CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H](C)C3CC3)CC2)cn1 ZINC000112714338 407437708 /nfs/dbraw/zinc/43/77/08/407437708.db2.gz NWPWYCURPTVNLK-CQSZACIVSA-N 1 1 319.453 1.919 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)Cc1ccccc1 ZINC000113228051 407476067 /nfs/dbraw/zinc/47/60/67/407476067.db2.gz QUPGOVXRWZVDCU-GOEBONIOSA-N 1 1 315.417 1.040 10 0 DDAEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1S(C)(=O)=O ZINC000113226226 407476930 /nfs/dbraw/zinc/47/69/30/407476930.db2.gz ADXMOROHKNYCDS-CHWSQXEVSA-N 1 1 322.430 1.399 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1S(C)(=O)=O ZINC000113226226 407476933 /nfs/dbraw/zinc/47/69/33/407476933.db2.gz ADXMOROHKNYCDS-CHWSQXEVSA-N 1 1 322.430 1.399 10 0 DDAEMO COc1cccc(CNC(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000113268155 407486187 /nfs/dbraw/zinc/48/61/87/407486187.db2.gz UKXLCZXBPWGRQD-GDBMZVCRSA-N 1 1 317.433 1.480 10 0 DDAEMO CC(=O)N1CCC2(C[C@@H](c3nnc(C)o3)[N@H+](CCCO)C2)CC1 ZINC000257191857 407488614 /nfs/dbraw/zinc/48/86/14/407488614.db2.gz RORZFHCIYFNSLX-AWEZNQCLSA-N 1 1 322.409 1.136 10 0 DDAEMO CC(=O)N1CCC2(C[C@@H](c3nnc(C)o3)[N@@H+](CCCO)C2)CC1 ZINC000257191857 407488617 /nfs/dbraw/zinc/48/86/17/407488617.db2.gz RORZFHCIYFNSLX-AWEZNQCLSA-N 1 1 322.409 1.136 10 0 DDAEMO CCCCOC[C@@H](O)C[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000195219431 407443194 /nfs/dbraw/zinc/44/31/94/407443194.db2.gz VTTIVDNQQLZFKP-VBKZILBWSA-N 1 1 305.484 1.787 10 0 DDAEMO CCCCOC[C@@H](O)C[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000195219431 407443202 /nfs/dbraw/zinc/44/32/02/407443202.db2.gz VTTIVDNQQLZFKP-VBKZILBWSA-N 1 1 305.484 1.787 10 0 DDAEMO C[NH+]1CCN(c2ncc(NC(=O)c3cccs3)cn2)CC1 ZINC000224253397 407575797 /nfs/dbraw/zinc/57/57/97/407575797.db2.gz DOXSOKGLTUGWKJ-UHFFFAOYSA-N 1 1 303.391 1.542 10 0 DDAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccon2)C1 ZINC000186127611 407582548 /nfs/dbraw/zinc/58/25/48/407582548.db2.gz TVRVPLFGPPQKEV-LLVKDONJSA-N 1 1 317.349 1.236 10 0 DDAEMO CSCCCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186245647 407620097 /nfs/dbraw/zinc/62/00/97/407620097.db2.gz LWUIHYRLSQOELH-QWHCGFSZSA-N 1 1 303.472 1.226 10 0 DDAEMO O=C(c1csc([C@@H]2CCCO2)n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178886715 407640057 /nfs/dbraw/zinc/64/00/57/407640057.db2.gz CGBILENMKVBAOG-YPMHNXCESA-N 1 1 307.419 1.915 10 0 DDAEMO C[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)[NH+]1CCSCC1 ZINC000152835770 407698080 /nfs/dbraw/zinc/69/80/80/407698080.db2.gz KOUVSJVKVPVIPO-LBPRGKRZSA-N 1 1 308.451 1.553 10 0 DDAEMO CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315884 407742815 /nfs/dbraw/zinc/74/28/15/407742815.db2.gz WZDLEISTDHPEKR-KGLIPLIRSA-N 1 1 308.426 1.141 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)Cc2ccc(C)nc2)C[C@H]1CC ZINC000116767847 407772925 /nfs/dbraw/zinc/77/29/25/407772925.db2.gz RUJHHHXCMOMOGS-QGZVFWFLSA-N 1 1 319.449 1.892 10 0 DDAEMO [NH3+]Cc1nc(CN2CCN(Cc3cccc(Cl)c3)CC2)no1 ZINC000262231088 407769262 /nfs/dbraw/zinc/76/92/62/407769262.db2.gz NYXWOKMRCFGYSQ-UHFFFAOYSA-N 1 1 321.812 1.500 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)NC2CCOCC2)C[C@H]1CC ZINC000117036354 407807700 /nfs/dbraw/zinc/80/77/00/407807700.db2.gz HMCUGXZNSQRUMP-OAHLLOKOSA-N 1 1 313.442 1.308 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)COc2ccccc2F)C[C@@H]1C ZINC000117276713 407817220 /nfs/dbraw/zinc/81/72/20/407817220.db2.gz AMJCTNHCOLSORU-AWEZNQCLSA-N 1 1 324.396 1.774 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)COc2ccccc2F)C[C@@H]1C ZINC000117276713 407817223 /nfs/dbraw/zinc/81/72/23/407817223.db2.gz AMJCTNHCOLSORU-AWEZNQCLSA-N 1 1 324.396 1.774 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)c2ccccc2COC)C[C@@H]1C ZINC000117284642 407817885 /nfs/dbraw/zinc/81/78/85/407817885.db2.gz DSCNDLPWWDZHNV-AWEZNQCLSA-N 1 1 306.406 1.626 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)c2ccccc2COC)C[C@@H]1C ZINC000117284642 407817890 /nfs/dbraw/zinc/81/78/90/407817890.db2.gz DSCNDLPWWDZHNV-AWEZNQCLSA-N 1 1 306.406 1.626 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)[C@@H](C)Oc2cccc(F)c2)C[C@H]1C ZINC000117289441 407821373 /nfs/dbraw/zinc/82/13/73/407821373.db2.gz CGKKEDPCJRIQNR-ZIAGYGMSSA-N 1 1 324.396 1.772 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)[C@@H](C)Oc2cccc(F)c2)C[C@H]1C ZINC000117289441 407821379 /nfs/dbraw/zinc/82/13/79/407821379.db2.gz CGKKEDPCJRIQNR-ZIAGYGMSSA-N 1 1 324.396 1.772 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)c2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000117294765 407825294 /nfs/dbraw/zinc/82/52/94/407825294.db2.gz XMRFNLHINGUYDT-ZDUSSCGKSA-N 1 1 320.389 1.266 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)c2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000117294765 407825299 /nfs/dbraw/zinc/82/52/99/407825299.db2.gz XMRFNLHINGUYDT-ZDUSSCGKSA-N 1 1 320.389 1.266 10 0 DDAEMO CC[C@H]1CN(C(=O)COc2ccccc2F)CC[N@@H+]1CCOC ZINC000117301214 407826190 /nfs/dbraw/zinc/82/61/90/407826190.db2.gz MQERKMPMSTUOQU-AWEZNQCLSA-N 1 1 324.396 1.774 10 0 DDAEMO CC[C@H]1CN(C(=O)COc2ccccc2F)CC[N@H+]1CCOC ZINC000117301214 407826196 /nfs/dbraw/zinc/82/61/96/407826196.db2.gz MQERKMPMSTUOQU-AWEZNQCLSA-N 1 1 324.396 1.774 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)CCc2nc(C(C)C)no2)C[C@H]1C ZINC000117294673 407826550 /nfs/dbraw/zinc/82/65/50/407826550.db2.gz ZEJXHKCFFIKQII-CYBMUJFWSA-N 1 1 324.425 1.305 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)CCc2nc(C(C)C)no2)C[C@H]1C ZINC000117294673 407826556 /nfs/dbraw/zinc/82/65/56/407826556.db2.gz ZEJXHKCFFIKQII-CYBMUJFWSA-N 1 1 324.425 1.305 10 0 DDAEMO CCCn1nccc1NC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117398039 407835190 /nfs/dbraw/zinc/83/51/90/407835190.db2.gz NVDBXTLNIOBMEF-CYBMUJFWSA-N 1 1 309.414 1.478 10 0 DDAEMO CCCn1nccc1NC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117398039 407835195 /nfs/dbraw/zinc/83/51/95/407835195.db2.gz NVDBXTLNIOBMEF-CYBMUJFWSA-N 1 1 309.414 1.478 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(C)cc2O)C[C@H]1C ZINC000117424254 407835901 /nfs/dbraw/zinc/83/59/01/407835901.db2.gz WLOAJXGLNDRGJO-CQSZACIVSA-N 1 1 306.406 1.883 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(C)cc2O)C[C@H]1C ZINC000117424254 407835909 /nfs/dbraw/zinc/83/59/09/407835909.db2.gz WLOAJXGLNDRGJO-CQSZACIVSA-N 1 1 306.406 1.883 10 0 DDAEMO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(OC)c1 ZINC000180224151 407865233 /nfs/dbraw/zinc/86/52/33/407865233.db2.gz UYFBYGJBCJBFBQ-PBHICJAKSA-N 1 1 320.433 1.856 10 0 DDAEMO CC[C@@H]1CN(C(=O)CC[C@@H]2CC[C@H](C)O2)CC[N@H+]1CCOC ZINC000173665201 407893216 /nfs/dbraw/zinc/89/32/16/407893216.db2.gz SOEHNDVKVZHQMI-XHSDSOJGSA-N 1 1 312.454 1.903 10 0 DDAEMO CCc1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1C ZINC000180615679 407904010 /nfs/dbraw/zinc/90/40/10/407904010.db2.gz FEUQFQXFJCEALE-INIZCTEOSA-N 1 1 315.417 1.803 10 0 DDAEMO Cc1nn(C)c2ncc(C[N@H+]3CC[C@H](N4CCOCC4)C3)cc12 ZINC000173944277 407905460 /nfs/dbraw/zinc/90/54/60/407905460.db2.gz QPDPNHPPFNBOHD-HNNXBMFYSA-N 1 1 315.421 1.183 10 0 DDAEMO CN(C(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173955395 407909163 /nfs/dbraw/zinc/90/91/63/407909163.db2.gz SGNRWIIGBSJZAI-MRXNPFEDSA-N 1 1 303.406 1.056 10 0 DDAEMO CN(C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173955395 407909168 /nfs/dbraw/zinc/90/91/68/407909168.db2.gz SGNRWIIGBSJZAI-MRXNPFEDSA-N 1 1 303.406 1.056 10 0 DDAEMO COC[C@@H](C)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188169382 407922805 /nfs/dbraw/zinc/92/28/05/407922805.db2.gz UTWGSMQVGGTCCC-QAPCUYQASA-N 1 1 320.433 1.364 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2ccnc(Cl)c2)C[C@@H]1C ZINC000245603940 408024551 /nfs/dbraw/zinc/02/45/51/408024551.db2.gz XMFHZSZZRSYKJO-GFSGRHGLSA-N 1 1 323.824 1.662 10 0 DDAEMO Cc1cc(C)n(C[C@@H]2C[N@H+](CCO[C@@H]3CCCCO3)CCO2)n1 ZINC000181692604 408027505 /nfs/dbraw/zinc/02/75/05/408027505.db2.gz HEPDAUFYMDMMTN-DLBZAZTESA-N 1 1 323.437 1.744 10 0 DDAEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCO[C@@H]3CCCCO3)CCO2)n1 ZINC000181692604 408027512 /nfs/dbraw/zinc/02/75/12/408027512.db2.gz HEPDAUFYMDMMTN-DLBZAZTESA-N 1 1 323.437 1.744 10 0 DDAEMO CC[N@@H+]1CCO[C@H](CNc2cncc(Br)c2)C1 ZINC000135242319 407994998 /nfs/dbraw/zinc/99/49/98/407994998.db2.gz BAYQFPQBUQFBMR-GFCCVEGCSA-N 1 1 300.200 1.977 10 0 DDAEMO CC[N@H+]1CCO[C@H](CNc2cncc(Br)c2)C1 ZINC000135242319 407995003 /nfs/dbraw/zinc/99/50/03/407995003.db2.gz BAYQFPQBUQFBMR-GFCCVEGCSA-N 1 1 300.200 1.977 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)CCCOC)C[C@H]1C ZINC000245547398 408012725 /nfs/dbraw/zinc/01/27/25/408012725.db2.gz MSJMBYJGAJNIRA-HUUCEWRRSA-N 1 1 300.443 1.618 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)CCCOC)C[C@H]1C ZINC000245547398 408012731 /nfs/dbraw/zinc/01/27/31/408012731.db2.gz MSJMBYJGAJNIRA-HUUCEWRRSA-N 1 1 300.443 1.618 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1C ZINC000245740488 408057833 /nfs/dbraw/zinc/05/78/33/408057833.db2.gz LOUBQSOLUKDLEZ-CABCVRRESA-N 1 1 314.433 1.964 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cnc(N2CCOCC2)s1 ZINC000245751174 408060025 /nfs/dbraw/zinc/06/00/25/408060025.db2.gz NUINWPKPJQJGSA-KBPBESRZSA-N 1 1 322.478 1.648 10 0 DDAEMO Cc1ccc(-c2cc(-c3nc([C@H]4C[NH2+]CCN4C)no3)[nH]n2)o1 ZINC000263296705 408095751 /nfs/dbraw/zinc/09/57/51/408095751.db2.gz WLVZBXRBQPNGAY-GFCCVEGCSA-N 1 1 314.349 1.604 10 0 DDAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(F)c1 ZINC000175394695 408118150 /nfs/dbraw/zinc/11/81/50/408118150.db2.gz VDUOKNRUGUQLTF-CYBMUJFWSA-N 1 1 300.399 1.931 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000175385320 408119012 /nfs/dbraw/zinc/11/90/12/408119012.db2.gz GZPUURDVWHZTAJ-LSDHHAIUSA-N 1 1 305.426 1.751 10 0 DDAEMO CCOC(=O)c1ccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)o1 ZINC000245719513 408054373 /nfs/dbraw/zinc/05/43/73/408054373.db2.gz HRKBAUJOBAEKBP-ZFWWWQNUSA-N 1 1 322.405 1.609 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(F)cn2)C[C@@H]1CC ZINC000182444082 408162729 /nfs/dbraw/zinc/16/27/29/408162729.db2.gz LSWDMLFIPZMMTH-AWEZNQCLSA-N 1 1 309.385 1.794 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(F)cn2)C[C@@H]1CC ZINC000182444082 408162736 /nfs/dbraw/zinc/16/27/36/408162736.db2.gz LSWDMLFIPZMMTH-AWEZNQCLSA-N 1 1 309.385 1.794 10 0 DDAEMO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(OC)cc(OC)c2)C1 ZINC000263537241 408167038 /nfs/dbraw/zinc/16/70/38/408167038.db2.gz ZZIQASZYZSAKMM-UHFFFAOYSA-N 1 1 322.405 1.731 10 0 DDAEMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(OC)cc(OC)c2)C1 ZINC000263537241 408167043 /nfs/dbraw/zinc/16/70/43/408167043.db2.gz ZZIQASZYZSAKMM-UHFFFAOYSA-N 1 1 322.405 1.731 10 0 DDAEMO Cc1n[nH]cc1C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000121238892 408168521 /nfs/dbraw/zinc/16/85/21/408168521.db2.gz MXZLZAXLWIGHGG-UHFFFAOYSA-N 1 1 302.426 1.511 10 0 DDAEMO Cc1n[nH]cc1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000121238892 408168527 /nfs/dbraw/zinc/16/85/27/408168527.db2.gz MXZLZAXLWIGHGG-UHFFFAOYSA-N 1 1 302.426 1.511 10 0 DDAEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cnn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000155472575 408170608 /nfs/dbraw/zinc/17/06/08/408170608.db2.gz SUWFAJXJQVYHJO-BBRMVZONSA-N 1 1 313.405 1.726 10 0 DDAEMO C[C@@](O)(C[N@H+]1CCCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000121245468 408170792 /nfs/dbraw/zinc/17/07/92/408170792.db2.gz IKRLVSGBWLNZLJ-GOSISDBHSA-N 1 1 302.418 1.838 10 0 DDAEMO C[C@H]1CN(C(=O)NCCC2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000175674974 408181238 /nfs/dbraw/zinc/18/12/38/408181238.db2.gz RBLDXNIHGPSHLO-GOEBONIOSA-N 1 1 309.454 1.929 10 0 DDAEMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000246230297 408186095 /nfs/dbraw/zinc/18/60/95/408186095.db2.gz SCMNZGPANFXDFO-HNNXBMFYSA-N 1 1 322.453 1.315 10 0 DDAEMO C[S@@](=O)c1ccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000175713872 408187724 /nfs/dbraw/zinc/18/77/24/408187724.db2.gz JMAHVMSQXVNWLK-JLCFBVMHSA-N 1 1 321.446 1.414 10 0 DDAEMO COC(=O)c1cc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)oc1C ZINC000246429024 408250944 /nfs/dbraw/zinc/25/09/44/408250944.db2.gz LDHFFIGZELFWEI-WBMJQRKESA-N 1 1 322.405 1.527 10 0 DDAEMO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN2CCCC[C@H]2C1 ZINC000246419726 408253282 /nfs/dbraw/zinc/25/32/82/408253282.db2.gz LXXFUNNQIGTDBZ-ZBFHGGJFSA-N 1 1 306.454 1.350 10 0 DDAEMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN2CCCC[C@H]2C1 ZINC000246419726 408253284 /nfs/dbraw/zinc/25/32/84/408253284.db2.gz LXXFUNNQIGTDBZ-ZBFHGGJFSA-N 1 1 306.454 1.350 10 0 DDAEMO CSC[C@H](C)NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175796606 408207832 /nfs/dbraw/zinc/20/78/32/408207832.db2.gz NUBONTQABNYZFB-FRRDWIJNSA-N 1 1 301.456 1.100 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CSCCS1 ZINC000246290498 408208392 /nfs/dbraw/zinc/20/83/92/408208392.db2.gz UOJDHZIIZXWWRL-UPJWGTAASA-N 1 1 315.508 1.713 10 0 DDAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)CC2)cn1 ZINC000176010585 408265738 /nfs/dbraw/zinc/26/57/38/408265738.db2.gz OVRBQSDMUYRKGO-HZPDHXFCSA-N 1 1 302.422 1.501 10 0 DDAEMO Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)CC2)cn1 ZINC000176010585 408265743 /nfs/dbraw/zinc/26/57/43/408265743.db2.gz OVRBQSDMUYRKGO-HZPDHXFCSA-N 1 1 302.422 1.501 10 0 DDAEMO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000246533513 408286350 /nfs/dbraw/zinc/28/63/50/408286350.db2.gz WRRNDMDCERGCHG-CVEARBPZSA-N 1 1 308.470 1.598 10 0 DDAEMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000246533513 408286355 /nfs/dbraw/zinc/28/63/55/408286355.db2.gz WRRNDMDCERGCHG-CVEARBPZSA-N 1 1 308.470 1.598 10 0 DDAEMO CCCCc1nc(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)no1 ZINC000246567491 408291228 /nfs/dbraw/zinc/29/12/28/408291228.db2.gz VEKFPZOGCUZMPJ-KGLIPLIRSA-N 1 1 308.426 1.565 10 0 DDAEMO CCc1cc(=O)[nH]c(CN2CC[N@@H+](CCOC)[C@@H](CC)C2)n1 ZINC000246569072 408291839 /nfs/dbraw/zinc/29/18/39/408291839.db2.gz LBTCUAFMBHNHTF-AWEZNQCLSA-N 1 1 308.426 1.287 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1-n1ccnn1 ZINC000182977994 408298506 /nfs/dbraw/zinc/29/85/06/408298506.db2.gz MMLNYWGLJUSIFW-ZIAGYGMSSA-N 1 1 311.389 1.576 10 0 DDAEMO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246788052 408338420 /nfs/dbraw/zinc/33/84/20/408338420.db2.gz RDGWZFJXZAGDLV-GDBMZVCRSA-N 1 1 303.406 1.936 10 0 DDAEMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246788052 408338425 /nfs/dbraw/zinc/33/84/25/408338425.db2.gz RDGWZFJXZAGDLV-GDBMZVCRSA-N 1 1 303.406 1.936 10 0 DDAEMO C[C@H](Cc1cccc(F)c1)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246806562 408345917 /nfs/dbraw/zinc/34/59/17/408345917.db2.gz RRCKKFLFCWLLFT-KFWWJZLASA-N 1 1 322.424 1.918 10 0 DDAEMO C[C@H](Cc1cccc(F)c1)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246806562 408345919 /nfs/dbraw/zinc/34/59/19/408345919.db2.gz RRCKKFLFCWLLFT-KFWWJZLASA-N 1 1 322.424 1.918 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C)on1 ZINC000246884482 408361019 /nfs/dbraw/zinc/36/10/19/408361019.db2.gz GFSKQVONTJVGMD-NEPJUHHUSA-N 1 1 306.366 1.007 10 0 DDAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2COc3ccccc32)C[C@@H]1C ZINC000246839743 408354776 /nfs/dbraw/zinc/35/47/76/408354776.db2.gz UGIGFIVVCQIBAR-KCQAQPDRSA-N 1 1 304.390 1.076 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2COc3ccccc32)C[C@@H]1C ZINC000246839743 408354782 /nfs/dbraw/zinc/35/47/82/408354782.db2.gz UGIGFIVVCQIBAR-KCQAQPDRSA-N 1 1 304.390 1.076 10 0 DDAEMO CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cncn2)C1)C(C)C ZINC000171617569 162230445 /nfs/dbraw/zinc/23/04/45/162230445.db2.gz PYSLXTLFYRPHMD-GJZGRUSLSA-N 1 1 307.442 1.949 10 0 DDAEMO CC(C)[C@@H](CNC(=O)N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC000171732717 162240483 /nfs/dbraw/zinc/24/04/83/162240483.db2.gz DNJWZALDCJHOQJ-UONOGXRCSA-N 1 1 315.483 1.490 10 0 DDAEMO O=C(NCc1ccc(CO)c(F)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171905931 162246704 /nfs/dbraw/zinc/24/67/04/162246704.db2.gz XQJMCZDQMUMERT-AWEZNQCLSA-N 1 1 307.369 1.308 10 0 DDAEMO O=C(NC[C@@H]1CSCCS1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000176418140 408359382 /nfs/dbraw/zinc/35/93/82/408359382.db2.gz WXKOYMKNYBTFEQ-VXGBXAGGSA-N 1 1 301.481 1.325 10 0 DDAEMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000174004827 162385302 /nfs/dbraw/zinc/38/53/02/162385302.db2.gz PGDIQIVZPCTSIQ-GWCFXTLKSA-N 1 1 314.455 1.044 10 0 DDAEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000176472150 408375815 /nfs/dbraw/zinc/37/58/15/408375815.db2.gz ZHSUOAPVZNEQOP-YPMHNXCESA-N 1 1 317.397 1.253 10 0 DDAEMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000246961288 408376592 /nfs/dbraw/zinc/37/65/92/408376592.db2.gz LEWUHDDJXBQQMN-MLGOLLRUSA-N 1 1 320.389 1.356 10 0 DDAEMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000246961288 408376596 /nfs/dbraw/zinc/37/65/96/408376596.db2.gz LEWUHDDJXBQQMN-MLGOLLRUSA-N 1 1 320.389 1.356 10 0 DDAEMO Cn1cc([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3)C2)cn1 ZINC000246992623 408382119 /nfs/dbraw/zinc/38/21/19/408382119.db2.gz LKYAFBFPWUQBPB-GDBMZVCRSA-N 1 1 301.390 1.649 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@@H]1C ZINC000247046293 408396523 /nfs/dbraw/zinc/39/65/23/408396523.db2.gz JFGLJANXKSYENE-RYUDHWBXSA-N 1 1 309.410 1.574 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@@H]1C ZINC000247046293 408396530 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/nfs/dbraw/zinc/33/92/68/698339268.db2.gz CSLADDIZKMDVPU-KGLIPLIRSA-N 1 1 307.394 1.215 10 0 DDAEMO CC[C@@]1(C(C)C)NC(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000247024457 698359826 /nfs/dbraw/zinc/35/98/26/698359826.db2.gz JTFRIJKQMNWCPV-BBRMVZONSA-N 1 1 308.426 1.081 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cn1nnn(C(C)(C)C)c1=S ZINC000247057502 698360072 /nfs/dbraw/zinc/36/00/72/698360072.db2.gz LUBUVWMYPFXINO-RYUDHWBXSA-N 1 1 310.471 1.690 10 0 DDAEMO CC[C@H]1CN(C(=O)c2cnc(NC)s2)CC[N@@H+]1C[C@H](C)O ZINC000248446410 698374526 /nfs/dbraw/zinc/37/45/26/698374526.db2.gz CNGFKRHYMJRFNP-QWRGUYRKSA-N 1 1 312.439 1.102 10 0 DDAEMO CC[C@H]1CN(C(=O)c2cnc(NC)s2)CC[N@H+]1C[C@H](C)O ZINC000248446410 698374530 /nfs/dbraw/zinc/37/45/30/698374530.db2.gz CNGFKRHYMJRFNP-QWRGUYRKSA-N 1 1 312.439 1.102 10 0 DDAEMO O=C([C@@H]1CC(c2ccccc2)=NO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000253359194 698405883 /nfs/dbraw/zinc/40/58/83/698405883.db2.gz GRKZMXVKUUOLFC-RDJZCZTQSA-N 1 1 313.401 1.876 10 0 DDAEMO O=C([C@@H]1CC(c2ccccc2)=NO1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000253359194 698405885 /nfs/dbraw/zinc/40/58/85/698405885.db2.gz GRKZMXVKUUOLFC-RDJZCZTQSA-N 1 1 313.401 1.876 10 0 DDAEMO COC[C@@H](N)C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719961875 699303281 /nfs/dbraw/zinc/30/32/81/699303281.db2.gz KPGUNXYHLJHFMJ-IAGOWNOFSA-N 1 1 319.449 1.473 10 0 DDAEMO COC[C@@H](N)C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719961875 699303285 /nfs/dbraw/zinc/30/32/85/699303285.db2.gz KPGUNXYHLJHFMJ-IAGOWNOFSA-N 1 1 319.449 1.473 10 0 DDAEMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc4[nH]cnc4c3F)C[C@H]2C1 ZINC000897800818 708454686 /nfs/dbraw/zinc/45/46/86/708454686.db2.gz CBOVRSZDQZHHDF-WDEREUQCSA-N 1 1 302.353 1.726 10 0 DDAEMO CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2NC(=O)C2CCC(O)CC2)C1 ZINC000886075464 708693082 /nfs/dbraw/zinc/69/30/82/708693082.db2.gz LFBPXGJJGIRKRC-NEADZQPHSA-N 1 1 310.438 1.296 10 0 DDAEMO Cn1cnnc1C[C@@]1(O)CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000886088177 708696052 /nfs/dbraw/zinc/69/60/52/708696052.db2.gz CRCZXRSNWGAJIS-YXOJNZSOSA-N 1 1 312.417 1.898 10 0 DDAEMO CNC(=O)[C@@H]1C[N@H+](Cc2snnc2C)C[C@H]1C(F)(F)F ZINC000888103196 709214692 /nfs/dbraw/zinc/21/46/92/709214692.db2.gz OGOISFBTHPQAJA-HTQZYQBOSA-N 1 1 308.329 1.203 10 0 DDAEMO CNC(=O)[C@@H]1C[N@@H+](Cc2snnc2C)C[C@H]1C(F)(F)F ZINC000888103196 709214695 /nfs/dbraw/zinc/21/46/95/709214695.db2.gz OGOISFBTHPQAJA-HTQZYQBOSA-N 1 1 308.329 1.203 10 0 DDAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[S@@](C)=O ZINC000248444397 282083739 /nfs/dbraw/zinc/08/37/39/282083739.db2.gz FXEPHTMJGDAPSY-VFGMZZLHSA-N 1 1 303.472 1.173 10 0 DDAEMO CC[C@@H]1CN(C(=O)CCCOC(C)C)CC[N@H+]1C[C@H](C)O ZINC000248454332 282084392 /nfs/dbraw/zinc/08/43/92/282084392.db2.gz LTPSTUNJZOGNDL-LSDHHAIUSA-N 1 1 300.443 1.495 10 0 DDAEMO CCOCC[N@H+]1CCN(CCO[C@H]2CCCCO2)C[C@H]1CC ZINC000248573905 282091745 /nfs/dbraw/zinc/09/17/45/282091745.db2.gz MUIOAJYEWCCPHV-SJORKVTESA-N 1 1 314.470 1.962 10 0 DDAEMO CCOCCN1CC[N@H+](CCO[C@H]2CCCCO2)C[C@H]1CC ZINC000248573905 282091746 /nfs/dbraw/zinc/09/17/46/282091746.db2.gz MUIOAJYEWCCPHV-SJORKVTESA-N 1 1 314.470 1.962 10 0 DDAEMO CCOCCN1CC[N@@H+](CCO[C@H]2CCCCO2)C[C@H]1CC ZINC000248573905 282091747 /nfs/dbraw/zinc/09/17/47/282091747.db2.gz MUIOAJYEWCCPHV-SJORKVTESA-N 1 1 314.470 1.962 10 0 DDAEMO CCCCOC[C@@H](O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000248646437 282096559 /nfs/dbraw/zinc/09/65/59/282096559.db2.gz HJBIJBOJNFMWTD-KGLIPLIRSA-N 1 1 301.427 1.828 10 0 DDAEMO C[N@H+]1CCC[C@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000082315566 185175730 /nfs/dbraw/zinc/17/57/30/185175730.db2.gz ISRQMHBMULFKGR-ZDUSSCGKSA-N 1 1 305.378 1.048 10 0 DDAEMO CNC(=O)[C@H]1CCCN1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000155970332 539210368 /nfs/dbraw/zinc/21/03/68/539210368.db2.gz HKQMDSRFOSLXNQ-LSDHHAIUSA-N 1 1 324.469 1.419 10 0 DDAEMO COCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)C(C)C)o1 ZINC000088541821 185255613 /nfs/dbraw/zinc/25/56/13/185255613.db2.gz ZWJKGZXNIVIHAA-LLVKDONJSA-N 1 1 304.412 1.338 10 0 DDAEMO [NH3+]Cc1ccc(S(=O)(=O)N2CCc3ccccc3CC2)o1 ZINC000088551301 185257709 /nfs/dbraw/zinc/25/77/09/185257709.db2.gz JVLIMZUOHJHAHT-UHFFFAOYSA-N 1 1 306.387 1.528 10 0 DDAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000253005486 282211984 /nfs/dbraw/zinc/21/19/84/282211984.db2.gz DJNIUBPOWHCTLS-OAGGEKHMSA-N 1 1 311.470 1.911 10 0 DDAEMO O=C1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)C(=O)N1 ZINC000090015720 185278158 /nfs/dbraw/zinc/27/81/58/185278158.db2.gz CAHSISWNCBFEFQ-JTQLQIEISA-N 1 1 315.142 1.483 10 0 DDAEMO CCNc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)cn1 ZINC000092671405 185332877 /nfs/dbraw/zinc/33/28/77/185332877.db2.gz XZSMGFKOPUHXDN-GFCCVEGCSA-N 1 1 312.439 1.228 10 0 DDAEMO CC(C)COC(=O)CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000181452211 199298888 /nfs/dbraw/zinc/29/88/88/199298888.db2.gz FZXFKSIVSKOIRI-UHFFFAOYSA-N 1 1 308.426 1.127 10 0 DDAEMO CC(C)COC(=O)CN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000181452211 199298890 /nfs/dbraw/zinc/29/88/90/199298890.db2.gz FZXFKSIVSKOIRI-UHFFFAOYSA-N 1 1 308.426 1.127 10 0 DDAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@@H](c2c[nH]cn2)C1 ZINC000616662526 362772843 /nfs/dbraw/zinc/77/28/43/362772843.db2.gz BJAXNQWJBZHVKS-LBPRGKRZSA-N 1 1 310.398 1.350 10 0 DDAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H](c2c[nH]cn2)C1 ZINC000616662526 362772847 /nfs/dbraw/zinc/77/28/47/362772847.db2.gz BJAXNQWJBZHVKS-LBPRGKRZSA-N 1 1 310.398 1.350 10 0 DDAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@H](n2cccn2)C1 ZINC000616663229 362774750 /nfs/dbraw/zinc/77/47/50/362774750.db2.gz KGPZWOZXPMIDJJ-CYBMUJFWSA-N 1 1 310.398 1.281 10 0 DDAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@H](n2cccn2)C1 ZINC000616663229 362774755 /nfs/dbraw/zinc/77/47/55/362774755.db2.gz KGPZWOZXPMIDJJ-CYBMUJFWSA-N 1 1 310.398 1.281 10 0 DDAEMO Nc1[nH+]cccc1Cn1cc(I)cn1 ZINC000070678764 190910790 /nfs/dbraw/zinc/91/07/90/190910790.db2.gz YWRWNLJOPQLXTE-UHFFFAOYSA-N 1 1 300.103 1.513 10 0 DDAEMO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCC(=O)N(C)C2)cs1 ZINC000084059502 192397819 /nfs/dbraw/zinc/39/78/19/192397819.db2.gz PYYKHVCQJRYNCO-NSHDSACASA-N 1 1 310.423 1.226 10 0 DDAEMO Cc1nccn1C[C@@H]1CCCN1C(=O)CCCCc1cn[nH]n1 ZINC000139458499 186022401 /nfs/dbraw/zinc/02/24/01/186022401.db2.gz UYDXREHBQXMXQS-HNNXBMFYSA-N 1 1 316.409 1.714 10 0 DDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000172059137 198033133 /nfs/dbraw/zinc/03/31/33/198033133.db2.gz MWNMXGGWVAODMU-UKRRQHHQSA-N 1 1 311.389 1.576 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)NCc2cccc(CO)c2)C[C@@H]1C ZINC000172335682 198081085 /nfs/dbraw/zinc/08/10/85/198081085.db2.gz YYDLVEULHANKGI-AWEZNQCLSA-N 1 1 321.421 1.041 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)NCc2cccc(CO)c2)C[C@@H]1C ZINC000172335682 198081086 /nfs/dbraw/zinc/08/10/86/198081086.db2.gz YYDLVEULHANKGI-AWEZNQCLSA-N 1 1 321.421 1.041 10 0 DDAEMO CN(Cc1cccc2ncccc12)C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072458200 191172881 /nfs/dbraw/zinc/17/28/81/191172881.db2.gz JDHPBSKUDQQGGH-QGZVFWFLSA-N 1 1 321.384 1.803 10 0 DDAEMO Cc1csc2nc(CN3CC[N@H+]4CCCC[C@@H]4C3)cc(=O)n12 ZINC000172803662 198151630 /nfs/dbraw/zinc/15/16/30/198151630.db2.gz RRAMRGXGJWKHPA-CQSZACIVSA-N 1 1 318.446 1.735 10 0 DDAEMO COCC[N@H+]1CCN(C[C@H](O)COc2ccc(C)cc2)C[C@H]1C ZINC000105833235 353936550 /nfs/dbraw/zinc/93/65/50/353936550.db2.gz RACAEAXQIUUBFV-SJORKVTESA-N 1 1 322.449 1.387 10 0 DDAEMO COCCN1CC[N@H+](C[C@H](O)COc2ccc(C)cc2)C[C@H]1C ZINC000105833235 353936555 /nfs/dbraw/zinc/93/65/55/353936555.db2.gz RACAEAXQIUUBFV-SJORKVTESA-N 1 1 322.449 1.387 10 0 DDAEMO COCCN1CC[N@@H+](C[C@H](O)COc2ccc(C)cc2)C[C@H]1C ZINC000105833235 353936557 /nfs/dbraw/zinc/93/65/57/353936557.db2.gz RACAEAXQIUUBFV-SJORKVTESA-N 1 1 322.449 1.387 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1C ZINC000117276170 353993445 /nfs/dbraw/zinc/99/34/45/353993445.db2.gz AHVKBIIGNMNTHM-ZDUSSCGKSA-N 1 1 320.437 1.471 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1C ZINC000117276170 353993448 /nfs/dbraw/zinc/99/34/48/353993448.db2.gz AHVKBIIGNMNTHM-ZDUSSCGKSA-N 1 1 320.437 1.471 10 0 DDAEMO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152270050 354189981 /nfs/dbraw/zinc/18/99/81/354189981.db2.gz YUPAJYLUJCRNIJ-AWEZNQCLSA-N 1 1 320.393 1.017 10 0 DDAEMO CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152270050 354189987 /nfs/dbraw/zinc/18/99/87/354189987.db2.gz YUPAJYLUJCRNIJ-AWEZNQCLSA-N 1 1 320.393 1.017 10 0 DDAEMO Cc1ccc(C(=O)N2CCO[C@H](C[N@@H+](C)CC3CC3)C2)n1C ZINC000328631763 354553567 /nfs/dbraw/zinc/55/35/67/354553567.db2.gz KVZOLKRHDMZUGA-OAHLLOKOSA-N 1 1 305.422 1.516 10 0 DDAEMO CC(=O)N(C1CCC1)[C@@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC000328631765 354553650 /nfs/dbraw/zinc/55/36/50/354553650.db2.gz KWBGNLJJFIQYBG-OAHLLOKOSA-N 1 1 305.426 1.571 10 0 DDAEMO CC(=O)N(C1CCC1)[C@@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC000328631765 354553651 /nfs/dbraw/zinc/55/36/51/354553651.db2.gz KWBGNLJJFIQYBG-OAHLLOKOSA-N 1 1 305.426 1.571 10 0 DDAEMO Cc1cn2nc(N(C)C[C@H]3CCc4[nH+]ccn4C3)sc2n1 ZINC000328642316 354557161 /nfs/dbraw/zinc/55/71/61/354557161.db2.gz YKVHRNZPTJZERJ-LLVKDONJSA-N 1 1 302.407 1.995 10 0 DDAEMO C[N@@H+](CC1CC1)C[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCO1 ZINC000328647539 354559261 /nfs/dbraw/zinc/55/92/61/354559261.db2.gz UAOAXXFCEWPMOP-KRWDZBQOSA-N 1 1 320.408 1.937 10 0 DDAEMO COc1cc(CN2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000179546836 199053625 /nfs/dbraw/zinc/05/36/25/199053625.db2.gz MQAHHQIFPYLHTA-CQSZACIVSA-N 1 1 304.390 1.746 10 0 DDAEMO CC[NH2+]CCS(=O)(=O)Nc1ccc(Br)c(C)n1 ZINC000091508204 193067348 /nfs/dbraw/zinc/06/73/48/193067348.db2.gz UJLWDHXJFLGNTR-UHFFFAOYSA-N 1 1 322.228 1.504 10 0 DDAEMO C[N@@H+]1CCO[C@@H](CNc2cc(F)c(Br)cc2N)C1 ZINC000091665926 193088452 /nfs/dbraw/zinc/08/84/52/193088452.db2.gz GMVQQTMWAKHUIE-QMMMGPOBSA-N 1 1 318.190 1.913 10 0 DDAEMO C[N@H+]1CCO[C@@H](CNc2cc(F)c(Br)cc2N)C1 ZINC000091665926 193088454 /nfs/dbraw/zinc/08/84/54/193088454.db2.gz GMVQQTMWAKHUIE-QMMMGPOBSA-N 1 1 318.190 1.913 10 0 DDAEMO CCN[C@@]1(C(=O)OC)CCC[C@H]1CC[N@@H+](C)CCCOC ZINC000093593574 193271866 /nfs/dbraw/zinc/27/18/66/193271866.db2.gz XPUREGUUSVMGGM-HOCLYGCPSA-N 1 1 300.443 1.666 10 0 DDAEMO C[NH2+]CC[C@H]1CCCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698408 193292445 /nfs/dbraw/zinc/29/24/45/193292445.db2.gz QUBFUMMMINBCGH-LSDHHAIUSA-N 1 1 317.499 1.122 10 0 DDAEMO C[N@H+](Cc1ccccc1N)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697690 193292999 /nfs/dbraw/zinc/29/29/99/193292999.db2.gz ADNDYIKFMKZXCA-CYBMUJFWSA-N 1 1 311.451 1.372 10 0 DDAEMO COCCN(CCOC)[C@@H]1CCC[C@](CO)([NH2+]C(C)C)C1 ZINC000093783330 193307703 /nfs/dbraw/zinc/30/77/03/193307703.db2.gz XCGBHVVCNKEQFV-CVEARBPZSA-N 1 1 302.459 1.253 10 0 DDAEMO CCOC(=O)[C@@]1(NC(C)C)CC[C@H]([N@@H+](CC)CCOC)C1 ZINC000093827369 193313280 /nfs/dbraw/zinc/31/32/80/193313280.db2.gz VVLOKWNBFFIZMG-GOEBONIOSA-N 1 1 300.443 1.807 10 0 DDAEMO C[N@@H+](CCNc1nc(Br)cn2ccnc12)C1CC1 ZINC000094490795 193373752 /nfs/dbraw/zinc/37/37/52/193373752.db2.gz FMGGTJIPRYYAAQ-UHFFFAOYSA-N 1 1 310.199 1.998 10 0 DDAEMO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C(N)=S)c2)CCO1 ZINC000021510488 182276872 /nfs/dbraw/zinc/27/68/72/182276872.db2.gz WCBHZHYXHPXDOD-NSHDSACASA-N 1 1 307.419 1.370 10 0 DDAEMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C(N)=S)c2)CCO1 ZINC000021510488 182276873 /nfs/dbraw/zinc/27/68/73/182276873.db2.gz WCBHZHYXHPXDOD-NSHDSACASA-N 1 1 307.419 1.370 10 0 DDAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)cn1 ZINC000119595734 248261677 /nfs/dbraw/zinc/26/16/77/248261677.db2.gz QYEZOAHIHQPDRB-UHFFFAOYSA-N 1 1 307.442 1.919 10 0 DDAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)cn1 ZINC000119595734 248261680 /nfs/dbraw/zinc/26/16/80/248261680.db2.gz QYEZOAHIHQPDRB-UHFFFAOYSA-N 1 1 307.442 1.919 10 0 DDAEMO C[C@H]([C@H]1CC[C@H]([C@H](C)N2CCOCC2)C1=O)[NH+]1CCOCC1 ZINC000039372569 183016983 /nfs/dbraw/zinc/01/69/83/183016983.db2.gz VZXHPXABMPLTJH-QKPAOTATSA-N 1 1 310.438 1.023 10 0 DDAEMO C[C@H]([C@H]1CC[C@H]([C@H](C)[NH+]2CCOCC2)C1=O)N1CCOCC1 ZINC000039372569 183016984 /nfs/dbraw/zinc/01/69/84/183016984.db2.gz VZXHPXABMPLTJH-QKPAOTATSA-N 1 1 310.438 1.023 10 0 DDAEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OC)cc2N)C1 ZINC000040501846 183083477 /nfs/dbraw/zinc/08/34/77/183083477.db2.gz OIBYTCINOMOHQV-NSHDSACASA-N 1 1 313.423 1.040 10 0 DDAEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(C)ccc(N)c2C)C1 ZINC000040501920 183083820 /nfs/dbraw/zinc/08/38/20/183083820.db2.gz VOQCVJPBCGRCIP-ZDUSSCGKSA-N 1 1 311.451 1.648 10 0 DDAEMO C[N@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000040673400 183115942 /nfs/dbraw/zinc/11/59/42/183115942.db2.gz CDQFRQDJZZSFPB-CQSZACIVSA-N 1 1 309.435 1.633 10 0 DDAEMO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1N ZINC000040621002 183109468 /nfs/dbraw/zinc/10/94/68/183109468.db2.gz LGTYJHDZVIAWJP-ZDUSSCGKSA-N 1 1 311.451 1.586 10 0 DDAEMO Cc1cc(N)ccc1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040621234 183109870 /nfs/dbraw/zinc/10/98/70/183109870.db2.gz IREJDLNIWHFTQP-CYBMUJFWSA-N 1 1 311.451 1.586 10 0 DDAEMO CC[NH+]1CCN(C(=O)[C@H]2CCC(=O)N2c2ccc(F)cc2)CC1 ZINC000041459148 183192730 /nfs/dbraw/zinc/19/27/30/183192730.db2.gz COQVFBFGIOQFSY-OAHLLOKOSA-N 1 1 319.380 1.485 10 0 DDAEMO COC[C@H](O)C[N@@H+](C)CCCOc1cccc(C(N)=S)c1 ZINC000042506121 183278048 /nfs/dbraw/zinc/27/80/48/183278048.db2.gz ZLWXBYKPLXVHNJ-CYBMUJFWSA-N 1 1 312.435 1.029 10 0 DDAEMO COc1ccc(F)cc1C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000284578929 218085937 /nfs/dbraw/zinc/08/59/37/218085937.db2.gz IHLXQYIOCGAMAH-STQMWFEESA-N 1 1 310.369 1.625 10 0 DDAEMO O=C(NCCCOCC(F)(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105128754 194078354 /nfs/dbraw/zinc/07/83/54/194078354.db2.gz UMMHQGKTUHEHAI-LBPRGKRZSA-N 1 1 323.359 1.835 10 0 DDAEMO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105798124 194130246 /nfs/dbraw/zinc/13/02/46/194130246.db2.gz GESWEATVCPCIFO-CQSZACIVSA-N 1 1 317.437 1.436 10 0 DDAEMO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105798124 194130249 /nfs/dbraw/zinc/13/02/49/194130249.db2.gz GESWEATVCPCIFO-CQSZACIVSA-N 1 1 317.437 1.436 10 0 DDAEMO C[C@@H](O)C[N@H+]1CCN(CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000105824074 194137207 /nfs/dbraw/zinc/13/72/07/194137207.db2.gz CSNPTEXFCCSCNZ-UONOGXRCSA-N 1 1 323.412 1.541 10 0 DDAEMO C[C@@H](O)CN1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000105824074 194137210 /nfs/dbraw/zinc/13/72/10/194137210.db2.gz CSNPTEXFCCSCNZ-UONOGXRCSA-N 1 1 323.412 1.541 10 0 DDAEMO C[C@@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000105824074 194137213 /nfs/dbraw/zinc/13/72/13/194137213.db2.gz CSNPTEXFCCSCNZ-UONOGXRCSA-N 1 1 323.412 1.541 10 0 DDAEMO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799500 194131511 /nfs/dbraw/zinc/13/15/11/194131511.db2.gz VPHBNQNPGXSYKF-GJZGRUSLSA-N 1 1 319.453 1.682 10 0 DDAEMO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105799500 194131512 /nfs/dbraw/zinc/13/15/12/194131512.db2.gz VPHBNQNPGXSYKF-GJZGRUSLSA-N 1 1 319.453 1.682 10 0 DDAEMO CCOCC[N@H+]1CCN(C[C@H](O)COc2ccccc2)C[C@@H]1C ZINC000105835150 194142678 /nfs/dbraw/zinc/14/26/78/194142678.db2.gz HDVOKDGAASWCMS-IRXDYDNUSA-N 1 1 322.449 1.469 10 0 DDAEMO CCOCCN1CC[N@H+](C[C@H](O)COc2ccccc2)C[C@@H]1C ZINC000105835150 194142681 /nfs/dbraw/zinc/14/26/81/194142681.db2.gz HDVOKDGAASWCMS-IRXDYDNUSA-N 1 1 322.449 1.469 10 0 DDAEMO CCOCCN1CC[N@@H+](C[C@H](O)COc2ccccc2)C[C@@H]1C ZINC000105835150 194142684 /nfs/dbraw/zinc/14/26/84/194142684.db2.gz HDVOKDGAASWCMS-IRXDYDNUSA-N 1 1 322.449 1.469 10 0 DDAEMO CCOCC[N@H+]1CCN(Cc2ccc(C(=O)OC)o2)C[C@@H]1C ZINC000105834451 194143323 /nfs/dbraw/zinc/14/33/23/194143323.db2.gz JCIAGOZCGONCFJ-ZDUSSCGKSA-N 1 1 310.394 1.609 10 0 DDAEMO COCCN1CC[N@@H+](C[C@H](O)COCc2ccccc2)C[C@@H]1C ZINC000105902859 194165868 /nfs/dbraw/zinc/16/58/68/194165868.db2.gz PZBXNKOHQSSCAB-WMZOPIPTSA-N 1 1 322.449 1.217 10 0 DDAEMO COCC[N@@H+]1CCN(C[C@H](O)COCc2ccccc2)C[C@@H]1C ZINC000105902859 194165871 /nfs/dbraw/zinc/16/58/71/194165871.db2.gz PZBXNKOHQSSCAB-WMZOPIPTSA-N 1 1 322.449 1.217 10 0 DDAEMO COCC[N@H+]1CCN(C[C@H](O)COCc2ccccc2)C[C@@H]1C ZINC000105902859 194165873 /nfs/dbraw/zinc/16/58/73/194165873.db2.gz PZBXNKOHQSSCAB-WMZOPIPTSA-N 1 1 322.449 1.217 10 0 DDAEMO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105910000 194167486 /nfs/dbraw/zinc/16/74/86/194167486.db2.gz WHZHJOAFMIMSCL-CQSZACIVSA-N 1 1 317.437 1.754 10 0 DDAEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC(=O)c3cccn3C)C2)n1 ZINC000106179717 194189498 /nfs/dbraw/zinc/18/94/98/194189498.db2.gz UZLMTFWCOPESTG-OAHLLOKOSA-N 1 1 315.421 1.828 10 0 DDAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)c3cccn3C)C2)n1 ZINC000106179717 194189499 /nfs/dbraw/zinc/18/94/99/194189499.db2.gz UZLMTFWCOPESTG-OAHLLOKOSA-N 1 1 315.421 1.828 10 0 DDAEMO CC[NH2+]CCS(=O)(=O)Nc1ccc(Br)cn1 ZINC000049642423 183750799 /nfs/dbraw/zinc/75/07/99/183750799.db2.gz CIUBCWDVXYQGQE-UHFFFAOYSA-N 1 1 308.201 1.195 10 0 DDAEMO Cc1cc(C(=O)N2CC[NH+]([C@H](C)C(N)=S)CC2)ccc1F ZINC000109459567 194266025 /nfs/dbraw/zinc/26/60/25/194266025.db2.gz XAEZUUHHQPIVIU-LLVKDONJSA-N 1 1 309.410 1.567 10 0 DDAEMO CC(C)[N@@H+](C)CCNc1ccc(S(=O)(=O)N(C)C)cc1N ZINC000054112019 183924509 /nfs/dbraw/zinc/92/45/09/183924509.db2.gz GPJSIBIHQZNHDC-UHFFFAOYSA-N 1 1 314.455 1.271 10 0 DDAEMO C[C@@H]1CN(C(=O)c2ccc(Br)c(N)c2)CC[N@@H+]1C ZINC000110699386 194352051 /nfs/dbraw/zinc/35/20/51/194352051.db2.gz VOIKWWSHURTFSG-SECBINFHSA-N 1 1 312.211 1.807 10 0 DDAEMO C[C@@H]1CN(C(=O)c2ccc(Br)c(N)c2)CC[N@H+]1C ZINC000110699386 194352054 /nfs/dbraw/zinc/35/20/54/194352054.db2.gz VOIKWWSHURTFSG-SECBINFHSA-N 1 1 312.211 1.807 10 0 DDAEMO COC[C@@H](C)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000111153829 194396227 /nfs/dbraw/zinc/39/62/27/194396227.db2.gz SXQSAXYCUGDYBU-GFCCVEGCSA-N 1 1 323.437 1.902 10 0 DDAEMO CCN[C@@](C)(CC[N@@H+](C)C[C@@H]1CCCOC1)C(=O)OCC ZINC000111169535 194397524 /nfs/dbraw/zinc/39/75/24/194397524.db2.gz BNZUOCBXNSWZKX-HOCLYGCPSA-N 1 1 300.443 1.666 10 0 DDAEMO COCC[N@@H+](C)CCNc1nc2c(cc1C(N)=S)CCC2 ZINC000061381100 184170017 /nfs/dbraw/zinc/17/00/17/184170017.db2.gz ZAZHKYNFRLNDEA-UHFFFAOYSA-N 1 1 308.451 1.195 10 0 DDAEMO CCCS(=O)(=O)c1ccc(NCC[N@H+](C)CCOC)cc1 ZINC000061379572 184170507 /nfs/dbraw/zinc/17/05/07/184170507.db2.gz LORCYYLEEUJSII-UHFFFAOYSA-N 1 1 314.451 1.860 10 0 DDAEMO CCCS(=O)(=O)c1ccc(NCC[N@@H+](C)CCOC)cc1 ZINC000061379572 184170509 /nfs/dbraw/zinc/17/05/09/184170509.db2.gz LORCYYLEEUJSII-UHFFFAOYSA-N 1 1 314.451 1.860 10 0 DDAEMO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C(N)=S)c2)CCCO1 ZINC000061918499 184195142 /nfs/dbraw/zinc/19/51/42/184195142.db2.gz HWZMWYHGGDHDDY-NSHDSACASA-N 1 1 307.419 1.370 10 0 DDAEMO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(N)=S)c2)CCCO1 ZINC000061918499 184195143 /nfs/dbraw/zinc/19/51/43/184195143.db2.gz HWZMWYHGGDHDDY-NSHDSACASA-N 1 1 307.419 1.370 10 0 DDAEMO CC1(C)CCC[N@H+]1C[C@H](O)COc1ccc(C(N)=S)cc1 ZINC000063067244 184269233 /nfs/dbraw/zinc/26/92/33/184269233.db2.gz AAGPMZOEHSQIAS-ZDUSSCGKSA-N 1 1 308.447 1.935 10 0 DDAEMO CC1(C)CCC[N@H+]1C[C@@H](O)COc1ccc(C(N)=S)cc1 ZINC000063067245 184269271 /nfs/dbraw/zinc/26/92/71/184269271.db2.gz AAGPMZOEHSQIAS-CYBMUJFWSA-N 1 1 308.447 1.935 10 0 DDAEMO Cc1nc(CN2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)c2ccccn12 ZINC000067675404 184477536 /nfs/dbraw/zinc/47/75/36/184477536.db2.gz DHOKMSLZOLBNKC-BBRMVZONSA-N 1 1 315.421 1.069 10 0 DDAEMO CC[C@@H]1CN(Cc2cc(C(N)=O)cs2)CC[N@H+]1C[C@@H](C)O ZINC000120758022 195231651 /nfs/dbraw/zinc/23/16/51/195231651.db2.gz IFHCBFIEENBCRT-DGCLKSJQSA-N 1 1 311.451 1.124 10 0 DDAEMO Cn1cc(C[N@H+]2CC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)cn1 ZINC000248164482 257106757 /nfs/dbraw/zinc/10/67/57/257106757.db2.gz ZALRXXUAVCXYRK-DOTOQJQBSA-N 1 1 314.389 1.628 10 0 DDAEMO COC[C@@H]1C[N@@H+](C)C[C@]12CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000248024604 257110714 /nfs/dbraw/zinc/11/07/14/257110714.db2.gz KQAWUBJXZLJBQT-YJBOKZPZSA-N 1 1 320.408 1.795 10 0 DDAEMO C[C@H]1C[N@@H+](Cc2ccoc2)C[C@@]12CCN(CC(=O)N(C)C)C2=O ZINC000247957824 257113287 /nfs/dbraw/zinc/11/32/87/257113287.db2.gz DGVIDACAVHHYHE-GUYCJALGSA-N 1 1 319.405 1.038 10 0 DDAEMO 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CCC[N@H+]1CCC[C@@H](C(=O)N2CC(OCc3nnc(C)o3)C2)C1 ZINC000911409287 710785661 /nfs/dbraw/zinc/78/56/61/710785661.db2.gz FGYYKNSSJRDRDM-CYBMUJFWSA-N 1 1 322.409 1.227 10 0 DDAEMO CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000908092594 712684624 /nfs/dbraw/zinc/68/46/24/712684624.db2.gz NMBWLZZMGUHKOP-MQYQWHSLSA-N 1 1 319.409 1.110 10 0 DDAEMO CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000908092594 712684626 /nfs/dbraw/zinc/68/46/26/712684626.db2.gz NMBWLZZMGUHKOP-MQYQWHSLSA-N 1 1 319.409 1.110 10 0 DDAEMO c1c(C2CC2)nnn1[C@@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000931123248 714008132 /nfs/dbraw/zinc/00/81/32/714008132.db2.gz DGYKDNIQOZXQSJ-ZBFHGGJFSA-N 1 1 306.410 1.946 10 0 DDAEMO CC[NH+]1CCN(C(=O)C[C@H]2CN(C(C)=O)c3ccccc32)CC1 ZINC000074664550 185006327 /nfs/dbraw/zinc/00/63/27/185006327.db2.gz QALFNRNWYHMEHI-HNNXBMFYSA-N 1 1 315.417 1.691 10 0 DDAEMO Cc1nc(C[N@@H+]2CCC[C@H](c3nccn3CC(N)=O)C2)co1 ZINC000095507700 185375700 /nfs/dbraw/zinc/37/57/00/185375700.db2.gz OXFUTJBNHQVVKC-LBPRGKRZSA-N 1 1 303.366 1.044 10 0 DDAEMO Cc1nc(C[N@H+]2CCC[C@H](c3nccn3CC(N)=O)C2)co1 ZINC000095507700 185375701 /nfs/dbraw/zinc/37/57/01/185375701.db2.gz OXFUTJBNHQVVKC-LBPRGKRZSA-N 1 1 303.366 1.044 10 0 DDAEMO CCCCOC[C@H](O)C[N@@H+](CCC)[C@H]1CCS(=O)(=O)C1 ZINC000248661798 282097371 /nfs/dbraw/zinc/09/73/71/282097371.db2.gz XRAWJXYOWQTERW-UONOGXRCSA-N 1 1 307.456 1.063 10 0 DDAEMO COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000082316700 185175878 /nfs/dbraw/zinc/17/58/78/185175878.db2.gz GJOAACPVKPTUFX-AWEZNQCLSA-N 1 1 318.417 1.930 10 0 DDAEMO O=S1(=O)C=C[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000082343881 185176519 /nfs/dbraw/zinc/17/65/19/185176519.db2.gz VCWSNDHZISWCLA-LLVKDONJSA-N 1 1 302.193 1.849 10 0 DDAEMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152262611 539200550 /nfs/dbraw/zinc/20/05/50/539200550.db2.gz QZOZDXJCUZSVQW-UAGQMJEPSA-N 1 1 322.405 1.091 10 0 DDAEMO Cc1[nH+]ccn1-c1cncc(N[C@H]2CC(=O)N(C(C)C)C2)n1 ZINC000328847048 231366392 /nfs/dbraw/zinc/36/63/92/231366392.db2.gz QQZWEWPFMDEWAR-LBPRGKRZSA-N 1 1 300.366 1.392 10 0 DDAEMO CC(C)N[C@](C)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435203 185250048 /nfs/dbraw/zinc/25/00/48/185250048.db2.gz NSNATNFLSUWBBG-WCQYABFASA-N 1 1 309.376 1.893 10 0 DDAEMO CC(C)N[C@](C)(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435203 185250049 /nfs/dbraw/zinc/25/00/49/185250049.db2.gz NSNATNFLSUWBBG-WCQYABFASA-N 1 1 309.376 1.893 10 0 DDAEMO CC[C@H](NS(=O)(=O)c1ccc(C[NH2+]CCOC)o1)C(C)C ZINC000088542964 185256346 /nfs/dbraw/zinc/25/63/46/185256346.db2.gz ZPABLFYUOAIFSI-ZDUSSCGKSA-N 1 1 318.439 1.729 10 0 DDAEMO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2cnc[nH]2)cc1 ZINC000088751544 185264134 /nfs/dbraw/zinc/26/41/34/185264134.db2.gz CGBREFMYCYBTJV-LLVKDONJSA-N 1 1 308.407 1.559 10 0 DDAEMO O=S1(=O)C=C[C@@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000088857849 185267234 /nfs/dbraw/zinc/26/72/34/185267234.db2.gz NUXXWHOZVQIZOH-HZPDHXFCSA-N 1 1 303.383 1.774 10 0 DDAEMO CCCn1c(C[NH2+][C@H]2CCS(=O)(=O)C2)nc2cccnc21 ZINC000088871527 185267365 /nfs/dbraw/zinc/26/73/65/185267365.db2.gz OBLFYGMMCNEWGH-NSHDSACASA-N 1 1 308.407 1.118 10 0 DDAEMO CCc1ccc(N)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000092621902 185330112 /nfs/dbraw/zinc/33/01/12/185330112.db2.gz RNJGKOLBZQZHCJ-CQSZACIVSA-N 1 1 311.451 1.546 10 0 DDAEMO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc(C(N)=O)c1 ZINC000616637048 362764978 /nfs/dbraw/zinc/76/49/78/362764978.db2.gz PHTCKSBQRVZHLQ-CYBMUJFWSA-N 1 1 305.378 1.667 10 0 DDAEMO CNC(=O)c1ccc(C)c(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171888540 198002522 /nfs/dbraw/zinc/00/25/22/198002522.db2.gz HFEDMEKKRPQUCP-CQSZACIVSA-N 1 1 316.405 1.667 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)c2cccc3cc[nH]c32)C[C@@H]1C ZINC000173547711 198225415 /nfs/dbraw/zinc/22/54/15/198225415.db2.gz MLORKYZKPQAHIJ-ZDUSSCGKSA-N 1 1 301.390 1.961 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)c2cccc3cc[nH]c32)C[C@@H]1C ZINC000173547711 198225417 /nfs/dbraw/zinc/22/54/17/198225417.db2.gz MLORKYZKPQAHIJ-ZDUSSCGKSA-N 1 1 301.390 1.961 10 0 DDAEMO CC[C@H]1CN(C(=O)COc2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000174618539 198360994 /nfs/dbraw/zinc/36/09/94/198360994.db2.gz OLNABMFJJDCDTP-CABCVRRESA-N 1 1 306.406 1.369 10 0 DDAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CSC(=O)N2)C1 ZINC000174658910 198367079 /nfs/dbraw/zinc/36/70/79/198367079.db2.gz FAIXHONCQRHTGJ-QWRGUYRKSA-N 1 1 308.407 1.434 10 0 DDAEMO O=C(c1cccnc1Br)N1CC[N@H+]2CCC[C@H]2C1 ZINC000176574261 198600714 /nfs/dbraw/zinc/60/07/14/198600714.db2.gz JZAYNHRBWMSCNB-JTQLQIEISA-N 1 1 310.195 1.764 10 0 DDAEMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COC(C)(C)C ZINC000250153472 354380854 /nfs/dbraw/zinc/38/08/54/354380854.db2.gz LTCXNRLIYJYZFY-ZIAGYGMSSA-N 1 1 300.443 1.495 10 0 DDAEMO CCOCC[N@H+]1CCN([C@@H](C)c2nc(C)cc(=O)[nH]2)C[C@H]1C ZINC000248709914 354370641 /nfs/dbraw/zinc/37/06/41/354370641.db2.gz BYONLTAUQLUXTD-KGLIPLIRSA-N 1 1 308.426 1.594 10 0 DDAEMO Cn1cnnc1[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000328630344 354553211 /nfs/dbraw/zinc/55/32/11/354553211.db2.gz JHEQQAYEZODESY-PBHICJAKSA-N 1 1 312.417 1.994 10 0 DDAEMO C[C@H]1Cc2cc3c(cc2CN1C(=O)[C@H]1CSC[NH2+]1)OCO3 ZINC000074893488 191381234 /nfs/dbraw/zinc/38/12/34/191381234.db2.gz KYCAGBSFBCACOS-JOYOIKCWSA-N 1 1 306.387 1.351 10 0 DDAEMO Cc1ccc2ncc(C[N@@H+]3C[C@@H](C)[C@H](N4CCOCC4)C3)n2c1 ZINC000180237176 199134237 /nfs/dbraw/zinc/13/42/37/199134237.db2.gz AHZLJQMTDYQZRG-NVXWUHKLSA-N 1 1 314.433 1.795 10 0 DDAEMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1nnc2n1CCCC2 ZINC000180896479 199224843 /nfs/dbraw/zinc/22/48/43/199224843.db2.gz DOHGMPHVMQOWQY-AWEZNQCLSA-N 1 1 313.405 1.726 10 0 DDAEMO COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)[N@H+]2C ZINC000006482570 181344257 /nfs/dbraw/zinc/34/42/57/181344257.db2.gz ZPUCINDJVBIVPJ-QPSCCSFWSA-N 1 1 303.358 1.868 10 0 biogenic,in-vitro DDAEMO Cc1csc(C[NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)n1 ZINC000275530476 212397270 /nfs/dbraw/zinc/39/72/70/212397270.db2.gz LUWUEVYKVADDQS-LBPRGKRZSA-N 1 1 319.434 1.304 10 0 DDAEMO COc1cccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000091333345 193041320 /nfs/dbraw/zinc/04/13/20/193041320.db2.gz OKMHJOODSAHNQI-LLVKDONJSA-N 1 1 321.402 1.588 10 0 DDAEMO CC(=O)Nc1ccsc1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666632 193087548 /nfs/dbraw/zinc/08/75/48/193087548.db2.gz XKHIWFKSMXHFOD-OLZOCXBDSA-N 1 1 309.435 1.659 10 0 DDAEMO CC(=O)Nc1ccsc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000091666632 193087549 /nfs/dbraw/zinc/08/75/49/193087549.db2.gz XKHIWFKSMXHFOD-OLZOCXBDSA-N 1 1 309.435 1.659 10 0 DDAEMO Nc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000091668913 193088114 /nfs/dbraw/zinc/08/81/14/193088114.db2.gz PHHSEFVYMLPCFW-VXGBXAGGSA-N 1 1 309.797 1.515 10 0 DDAEMO Clc1nc(Cl)nc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000091677146 193088801 /nfs/dbraw/zinc/08/88/01/193088801.db2.gz NPQHTWBMXBMWTG-HTQZYQBOSA-N 1 1 304.181 1.454 10 0 DDAEMO CNC(=O)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000092100104 193158115 /nfs/dbraw/zinc/15/81/15/193158115.db2.gz ULQHXOZQPAHLLO-OAHLLOKOSA-N 1 1 314.389 1.796 10 0 DDAEMO Nc1cnc(NCCC[NH+]2CCOCC2)c(Br)c1 ZINC000093432712 193250072 /nfs/dbraw/zinc/25/00/72/193250072.db2.gz KPBITDRDPOMWDV-UHFFFAOYSA-N 1 1 315.215 1.561 10 0 DDAEMO CN(C)C(=O)c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)[nH]1 ZINC000093585282 193270363 /nfs/dbraw/zinc/27/03/63/193270363.db2.gz QHSLKVCSFKBYTD-CXAGYDPISA-N 1 1 305.422 1.844 10 0 DDAEMO CCOC(=O)[C@]1([NH3+])CCC[C@H]1CCSCCS(C)(=O)=O ZINC000093630934 193277060 /nfs/dbraw/zinc/27/70/60/193277060.db2.gz OUCHJBSRTQTDKU-AAEUAGOBSA-N 1 1 323.480 1.215 10 0 DDAEMO CCOC(=O)[C@]1(NC)CC[C@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000093826690 193312718 /nfs/dbraw/zinc/31/27/18/193312718.db2.gz KPWXFBTYBKYHNU-HOCLYGCPSA-N 1 1 300.443 1.665 10 0 DDAEMO CCOC(=O)[C@](C)(CCCCSC[C@@H](O)CO)[NH2+]C(C)C ZINC000093960267 193332355 /nfs/dbraw/zinc/33/23/55/193332355.db2.gz HZHHDECXARXQBH-ZFWWWQNUSA-N 1 1 321.483 1.563 10 0 DDAEMO C[N@H+](CCS(C)(=O)=O)[C@H](CC(N)=S)c1ccccc1 ZINC000094298669 193358156 /nfs/dbraw/zinc/35/81/56/193358156.db2.gz YBXYWESVSYPBAQ-GFCCVEGCSA-N 1 1 300.449 1.380 10 0 DDAEMO C[N@@H+](CCS(C)(=O)=O)[C@H](CC(N)=S)c1ccccc1 ZINC000094298669 193358158 /nfs/dbraw/zinc/35/81/58/193358158.db2.gz YBXYWESVSYPBAQ-GFCCVEGCSA-N 1 1 300.449 1.380 10 0 DDAEMO C[N@H+](CCS(C)(=O)=O)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000094300692 193358485 /nfs/dbraw/zinc/35/84/85/193358485.db2.gz NYUHTBUHROYYCQ-MJBXVCDLSA-N 1 1 305.484 1.786 10 0 DDAEMO C[N@@H+](CCS(C)(=O)=O)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000094300692 193358487 /nfs/dbraw/zinc/35/84/87/193358487.db2.gz NYUHTBUHROYYCQ-MJBXVCDLSA-N 1 1 305.484 1.786 10 0 DDAEMO C[N@H+]1CCCN(c2nc(C(F)(F)F)ccc2C(N)=O)CC1 ZINC000094334890 193360626 /nfs/dbraw/zinc/36/06/26/193360626.db2.gz IVUQTMAZPPOTBI-UHFFFAOYSA-N 1 1 302.300 1.341 10 0 DDAEMO Cc1cc(N)c(C)c(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000094358721 193364650 /nfs/dbraw/zinc/36/46/50/193364650.db2.gz BBFQLCGGTKIWTQ-CYBMUJFWSA-N 1 1 311.451 1.458 10 0 DDAEMO CC[N@@H+](C)CCNS(=O)(=O)c1cc(N)c(C)cc1Cl ZINC000094638952 193387914 /nfs/dbraw/zinc/38/79/14/193387914.db2.gz AKOSCCSAKFVKIL-UHFFFAOYSA-N 1 1 305.831 1.461 10 0 DDAEMO CC(C)(O)C[NH+]1CCN([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094411090 193368747 /nfs/dbraw/zinc/36/87/47/193368747.db2.gz CLPGSVPSZPRNGG-GDBMZVCRSA-N 1 1 314.495 1.430 10 0 DDAEMO COc1ccc(OC)c(NS(=O)(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000019806960 182152557 /nfs/dbraw/zinc/15/25/57/182152557.db2.gz QYQXFJYAWAVNKJ-NSHDSACASA-N 1 1 300.380 1.198 10 0 DDAEMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)Nc2nc[nH]n2)C1 ZINC000020907463 182253468 /nfs/dbraw/zinc/25/34/68/182253468.db2.gz BSWZOCSFLOHWTN-ZDUSSCGKSA-N 1 1 314.393 1.724 10 0 DDAEMO O=C1NCCCC[C@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037282671 182877991 /nfs/dbraw/zinc/87/79/91/182877991.db2.gz SOJYPRIGDSGXER-QWHCGFSZSA-N 1 1 308.403 1.163 10 0 DDAEMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000306685164 248835819 /nfs/dbraw/zinc/83/58/19/248835819.db2.gz ISQHWASXIZBOEK-MELADBBJSA-N 1 1 314.385 1.375 10 0 DDAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000040691945 183118765 /nfs/dbraw/zinc/11/87/65/183118765.db2.gz NFPWGXFIZODGJS-SNVBAGLBSA-N 1 1 303.815 1.498 10 0 DDAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000040691945 183118767 /nfs/dbraw/zinc/11/87/67/183118767.db2.gz NFPWGXFIZODGJS-SNVBAGLBSA-N 1 1 303.815 1.498 10 0 DDAEMO [NH3+]Cc1noc(-c2ccccc2I)n1 ZINC000041052072 183159320 /nfs/dbraw/zinc/15/93/20/183159320.db2.gz KMRJUOBCPZVAFA-UHFFFAOYSA-N 1 1 301.087 1.800 10 0 DDAEMO CC[NH+]1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CC2)CC1 ZINC000041500978 183194681 /nfs/dbraw/zinc/19/46/81/183194681.db2.gz OQIHAHDQKZUQNJ-UHFFFAOYSA-N 1 1 318.417 1.900 10 0 DDAEMO CCC[N@@H+](CCOc1cccc(C(N)=S)c1)CC(=O)NC ZINC000042404986 183265334 /nfs/dbraw/zinc/26/53/34/183265334.db2.gz RNLMHZNCGSLDLU-UHFFFAOYSA-N 1 1 309.435 1.158 10 0 DDAEMO CC[NH2+][C@](C)(CCC[N@@H+](CCN(C)C)CC(C)C)C(=O)[O-] ZINC000045420908 183505709 /nfs/dbraw/zinc/50/57/09/183505709.db2.gz DTNKNMDYIDMWED-MRXNPFEDSA-N 1 1 301.475 1.739 10 0 DDAEMO Cc1ccc(N2CCC[N@H+](CC(=O)N3CCCCC3)CC2)nn1 ZINC000105800913 194132016 /nfs/dbraw/zinc/13/20/16/194132016.db2.gz NBCKSUNKFNOWML-UHFFFAOYSA-N 1 1 317.437 1.310 10 0 DDAEMO Cc1ccc(N2CCC[N@@H+](CC(=O)N3CCCCC3)CC2)nn1 ZINC000105800913 194132017 /nfs/dbraw/zinc/13/20/17/194132017.db2.gz NBCKSUNKFNOWML-UHFFFAOYSA-N 1 1 317.437 1.310 10 0 DDAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(C)[nH]c2=O)C1 ZINC000105852590 194146894 /nfs/dbraw/zinc/14/68/94/194146894.db2.gz LKCCFLMLQXQVGX-ZDUSSCGKSA-N 1 1 314.389 1.920 10 0 DDAEMO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886709 194157026 /nfs/dbraw/zinc/15/70/26/194157026.db2.gz YRKCTJGJZYSBCN-ZDUSSCGKSA-N 1 1 314.393 1.412 10 0 DDAEMO NC(=S)C[NH+]1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000109442004 194263440 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/nfs/dbraw/zinc/11/34/18/257113418.db2.gz CWMDKPFUGGEUDK-WFASDCNBSA-N 1 1 309.435 1.649 10 0 DDAEMO CC(C)NC(=O)[C@]12CCO[C@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000247970149 257113419 /nfs/dbraw/zinc/11/34/19/257113419.db2.gz CWMDKPFUGGEUDK-WFASDCNBSA-N 1 1 309.435 1.649 10 0 DDAEMO CNC(=O)[C@@H]1CO[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@H]21 ZINC000247984344 257113475 /nfs/dbraw/zinc/11/34/75/257113475.db2.gz YMWHTVVEZNKDFZ-UXLLHSPISA-N 1 1 311.385 1.428 10 0 DDAEMO COCCNC(=O)[C@@H]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2O1 ZINC000247896367 257115266 /nfs/dbraw/zinc/11/52/66/257115266.db2.gz UWPAHGLIZQFTTB-IXDOHACOSA-N 1 1 318.417 1.429 10 0 DDAEMO O=C1CCCN1[C@H]1CCO[C@@]2(CC[N@@H+](CC3CCOCC3)C2)C1 ZINC000247852465 257116138 /nfs/dbraw/zinc/11/61/38/257116138.db2.gz HUEQJHZWVUXFSI-WMZOPIPTSA-N 1 1 322.449 1.659 10 0 DDAEMO COC[C@@H]1CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)CC[C@@H]12 ZINC000247847832 257117047 /nfs/dbraw/zinc/11/70/47/257117047.db2.gz NKSUKSTZMZGGFV-ULQDDVLXSA-N 1 1 302.418 1.907 10 0 DDAEMO CCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000000001391 406614640 /nfs/dbraw/zinc/61/46/40/406614640.db2.gz OGDVEMNWJVYAJL-WVVQHKAJSA-N 1 1 313.397 1.891 10 0 DDAEMO CCCC(=O)OC[C@H](O)C[N@@H+](CCCOC)Cc1ccco1 ZINC000036096487 406976264 /nfs/dbraw/zinc/97/62/64/406976264.db2.gz GXNDUFVZUPRGST-CQSZACIVSA-N 1 1 313.394 1.822 10 0 DDAEMO CC(C)C[C@@](CC[NH+]1CCOCC1)(C(N)=O)c1ccccn1 ZINC000027520914 406911383 /nfs/dbraw/zinc/91/13/83/406911383.db2.gz GYNLENXIBSXZCK-QGZVFWFLSA-N 1 1 305.422 1.573 10 0 DDAEMO C[NH+]1CCN(C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000075182427 406926643 /nfs/dbraw/zinc/92/66/43/406926643.db2.gz OUYGFYQCRNJXQW-STQMWFEESA-N 1 1 311.426 1.454 10 0 DDAEMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C(C)C)CC1 ZINC000047685569 407080419 /nfs/dbraw/zinc/08/04/19/407080419.db2.gz XRXIFYCKLFATHM-CYBMUJFWSA-N 1 1 312.458 1.321 10 0 DDAEMO CN1CCN(c2ncnc3c2CC[NH2+]C3)C[C@@H]1c1ccccc1 ZINC000067691944 407280843 /nfs/dbraw/zinc/28/08/43/407280843.db2.gz RLEZHRPHVVTDLT-QGZVFWFLSA-N 1 1 309.417 1.615 10 0 DDAEMO CC(=O)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000124202908 407351371 /nfs/dbraw/zinc/35/13/71/407351371.db2.gz BOIAMZNNKWLWGW-KDOFPFPSSA-N 1 1 318.417 1.764 10 0 DDAEMO CC[C@@H]1CN(CCCOCC(F)(F)F)CC[N@H+]1C[C@@H](C)O ZINC000105827723 407355644 /nfs/dbraw/zinc/35/56/44/407355644.db2.gz JWFUWDUVQXRZJH-CHWSQXEVSA-N 1 1 312.376 1.732 10 0 DDAEMO CC[C@@H]1C[N@H+](CCCOCC(F)(F)F)CCN1C[C@@H](C)O ZINC000105827723 407355647 /nfs/dbraw/zinc/35/56/47/407355647.db2.gz JWFUWDUVQXRZJH-CHWSQXEVSA-N 1 1 312.376 1.732 10 0 DDAEMO CC(C)CCOCC[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917509 407357270 /nfs/dbraw/zinc/35/72/70/407357270.db2.gz KJTGZUKGFBHKLD-UHFFFAOYSA-N 1 1 308.470 1.991 10 0 DDAEMO COC(=O)c1csc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178441902 407455287 /nfs/dbraw/zinc/45/52/87/407455287.db2.gz BCPIKARUIQKRIY-LLVKDONJSA-N 1 1 309.391 1.847 10 0 DDAEMO NC(=O)CC[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114562789 407590733 /nfs/dbraw/zinc/59/07/33/407590733.db2.gz NVGLNZVPWDBSKJ-NVXWUHKLSA-N 1 1 320.433 1.542 10 0 DDAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC(=O)N(C)CC)C1 ZINC000186190155 407601793 /nfs/dbraw/zinc/60/17/93/407601793.db2.gz STPOGLZMNKLLMV-ZDUSSCGKSA-N 1 1 321.425 1.270 10 0 DDAEMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)C[C@@H](C)O1 ZINC000152418370 407632946 /nfs/dbraw/zinc/63/29/46/407632946.db2.gz NBTWLWISYRVRCP-FMKPAKJESA-N 1 1 319.405 1.171 10 0 DDAEMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)C[C@@H](C)O1 ZINC000152418370 407632955 /nfs/dbraw/zinc/63/29/55/407632955.db2.gz NBTWLWISYRVRCP-FMKPAKJESA-N 1 1 319.405 1.171 10 0 DDAEMO Cc1cccc(NC2CCN(Cc3noc(C[NH3+])n3)CC2)c1 ZINC000262149913 407754439 /nfs/dbraw/zinc/75/44/39/407754439.db2.gz FWLBFDNZCUNSJN-UHFFFAOYSA-N 1 1 301.394 1.913 10 0 DDAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OCCOC)cc2)C1 ZINC000171808403 407773646 /nfs/dbraw/zinc/77/36/46/407773646.db2.gz JJSPMIOWZFZYNB-OAHLLOKOSA-N 1 1 306.406 1.926 10 0 DDAEMO CC(C)(C)CCN1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262293240 407787234 /nfs/dbraw/zinc/78/72/34/407787234.db2.gz OWFYFBGVASETEC-UHFFFAOYSA-N 1 1 311.470 1.322 10 0 DDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000172059347 407802558 /nfs/dbraw/zinc/80/25/58/407802558.db2.gz NNWJEXRRSFVIDQ-CMPLNLGQSA-N 1 1 300.362 1.165 10 0 DDAEMO CCOCC[N@@H+]1CCN(C(=O)Cc2cccc(F)c2)C[C@H]1C ZINC000117281380 407819787 /nfs/dbraw/zinc/81/97/87/407819787.db2.gz OSTGGTUSHVCLGC-CQSZACIVSA-N 1 1 308.397 1.937 10 0 DDAEMO CCOCC[N@H+]1CCN(C(=O)Cc2cccc(F)c2)C[C@H]1C ZINC000117281380 407819793 /nfs/dbraw/zinc/81/97/93/407819793.db2.gz OSTGGTUSHVCLGC-CQSZACIVSA-N 1 1 308.397 1.937 10 0 DDAEMO CCC(CC)(CNC(=O)[C@@H](N)COC)[NH2+][C@@H](C)c1ccccc1 ZINC000262384389 407821069 /nfs/dbraw/zinc/82/10/69/407821069.db2.gz YGFDTLQQGFZGLJ-HOCLYGCPSA-N 1 1 321.465 1.986 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)COc2cccc(C)c2)C[C@H]1C ZINC000117293544 407821509 /nfs/dbraw/zinc/82/15/09/407821509.db2.gz SFOPBWXZOSFHCE-OAHLLOKOSA-N 1 1 306.406 1.553 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)COc2cccc(C)c2)C[C@H]1C ZINC000117293544 407821514 /nfs/dbraw/zinc/82/15/14/407821514.db2.gz SFOPBWXZOSFHCE-OAHLLOKOSA-N 1 1 306.406 1.553 10 0 DDAEMO COCC[N@@H+]1CCN(C(=O)COc2c(C)cccc2C)C[C@H]1C ZINC000117293266 407824056 /nfs/dbraw/zinc/82/40/56/407824056.db2.gz IGDUNGMSMHYYLN-MRXNPFEDSA-N 1 1 320.433 1.861 10 0 DDAEMO COCC[N@H+]1CCN(C(=O)COc2c(C)cccc2C)C[C@H]1C ZINC000117293266 407824057 /nfs/dbraw/zinc/82/40/57/407824057.db2.gz IGDUNGMSMHYYLN-MRXNPFEDSA-N 1 1 320.433 1.861 10 0 DDAEMO CC[C@H]1CN(C(=O)c2cc(Cl)ccn2)CC[N@@H+]1CCOC ZINC000117302357 407828549 /nfs/dbraw/zinc/82/85/49/407828549.db2.gz PENSHCVVZRDCEK-ZDUSSCGKSA-N 1 1 311.813 1.918 10 0 DDAEMO CC[C@H]1CN(C(=O)c2cc(Cl)ccn2)CC[N@H+]1CCOC ZINC000117302357 407828556 /nfs/dbraw/zinc/82/85/56/407828556.db2.gz PENSHCVVZRDCEK-ZDUSSCGKSA-N 1 1 311.813 1.918 10 0 DDAEMO COC[C@@H]([NH3+])C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000262440080 407836661 /nfs/dbraw/zinc/83/66/61/407836661.db2.gz USXKXRDEXBUSTN-MFKMUULPSA-N 1 1 304.350 1.327 10 0 DDAEMO Cc1cc2c(cc1C)O[C@H](C(=O)N1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000173098627 407863049 /nfs/dbraw/zinc/86/30/49/407863049.db2.gz TWYYKUXXKZNQQR-WBVHZDCISA-N 1 1 300.402 1.914 10 0 DDAEMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1-n1cncn1 ZINC000173574690 407888056 /nfs/dbraw/zinc/88/80/56/407888056.db2.gz KJFGINZYYBRZDK-HNNXBMFYSA-N 1 1 311.389 1.496 10 0 DDAEMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000153883753 407922697 /nfs/dbraw/zinc/92/26/97/407922697.db2.gz WMAILASDQYRHKF-CQSZACIVSA-N 1 1 322.405 1.813 10 0 DDAEMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000153883753 407922701 /nfs/dbraw/zinc/92/27/01/407922701.db2.gz WMAILASDQYRHKF-CQSZACIVSA-N 1 1 322.405 1.813 10 0 DDAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nnnn1-c1ccccc1 ZINC000175032753 408033061 /nfs/dbraw/zinc/03/30/61/408033061.db2.gz MPUUZMLQSQZHPQ-GOEBONIOSA-N 1 1 312.421 1.721 10 0 DDAEMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000175040640 408035437 /nfs/dbraw/zinc/03/54/37/408035437.db2.gz SPGIPHLANNGNBI-OAHLLOKOSA-N 1 1 307.442 1.565 10 0 DDAEMO CC[C@H]1CN([C@@H](C)c2nc(COC)no2)CC[N@H+]1CCOC ZINC000181819075 408045588 /nfs/dbraw/zinc/04/55/88/408045588.db2.gz LHPSLGSDFLMKCM-STQMWFEESA-N 1 1 312.414 1.320 10 0 DDAEMO CCOCCOCCN(C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000188892818 407984406 /nfs/dbraw/zinc/98/44/06/407984406.db2.gz BUVQGGDMRSKXMW-CQSZACIVSA-N 1 1 301.431 1.165 10 0 DDAEMO CC[C@@H]1CN(Cc2nc([C@H](C)OC)no2)CC[N@H+]1C[C@@H](C)O ZINC000245473448 407998317 /nfs/dbraw/zinc/99/83/17/407998317.db2.gz PZVUARVWPLVTQB-FRRDWIJNSA-N 1 1 312.414 1.054 10 0 DDAEMO C[C@H](CCO)[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCCC1=O ZINC000245534092 408009825 /nfs/dbraw/zinc/00/98/25/408009825.db2.gz JHRWUQFUGLJEKB-WBVHZDCISA-N 1 1 320.433 1.243 10 0 DDAEMO CCOc1ccnc(N2CC[NH+](CCOCC3CC3)CC2)n1 ZINC000119212276 408014840 /nfs/dbraw/zinc/01/48/40/408014840.db2.gz HQJQRBOOFUEFLF-UHFFFAOYSA-N 1 1 306.410 1.424 10 0 DDAEMO C[C@H](O)C[N@H+]1CCN(CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000245560195 408016137 /nfs/dbraw/zinc/01/61/37/408016137.db2.gz MNKCQBLIQHGFIG-KBPBESRZSA-N 1 1 308.397 1.785 10 0 DDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(C)=O)cn1C ZINC000174987478 408021016 /nfs/dbraw/zinc/02/10/16/408021016.db2.gz AHQHCTDDNMLWLV-HUUCEWRRSA-N 1 1 303.406 1.927 10 0 DDAEMO CCOC(=O)c1ccc(CN2CC[N@@H+](CCOC)[C@@H](C)C2)o1 ZINC000245810771 408071612 /nfs/dbraw/zinc/07/16/12/408071612.db2.gz ZIHHUTSXQWSXIQ-ZDUSSCGKSA-N 1 1 310.394 1.609 10 0 DDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(-n2ccnn2)c1 ZINC000154743901 408078389 /nfs/dbraw/zinc/07/83/89/408078389.db2.gz WAOULRCEVMNZSS-INIZCTEOSA-N 1 1 313.405 1.824 10 0 DDAEMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000245917492 408099081 /nfs/dbraw/zinc/09/90/81/408099081.db2.gz YZHKWXZRZIHYLT-STQMWFEESA-N 1 1 306.414 1.144 10 0 DDAEMO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2cnc(N(C)C)nc2)[C@@H](C)C1 ZINC000155132941 408126199 /nfs/dbraw/zinc/12/61/99/408126199.db2.gz FPCVXGOJUNFBIZ-AAEUAGOBSA-N 1 1 306.414 1.393 10 0 DDAEMO C[C@@H]1CN(C(=O)NCc2cscn2)C[C@H]1[NH+]1CCOCC1 ZINC000175732410 408192920 /nfs/dbraw/zinc/19/29/20/408192920.db2.gz SOZCSTUSAWAVJG-DGCLKSJQSA-N 1 1 310.423 1.005 10 0 DDAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)c1cnn(CC)c1 ZINC000136938823 408132017 /nfs/dbraw/zinc/13/20/17/408132017.db2.gz FKHFIZCOBWNVHE-UONOGXRCSA-N 1 1 304.394 1.171 10 0 DDAEMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3C[C@H]3C)c2C1 ZINC000246107100 408144043 /nfs/dbraw/zinc/14/40/43/408144043.db2.gz KSHRBTBFFWYVLK-ABAIWWIYSA-N 1 1 301.390 1.875 10 0 DDAEMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3C[C@H]3C)c2C1 ZINC000246107100 408144052 /nfs/dbraw/zinc/14/40/52/408144052.db2.gz KSHRBTBFFWYVLK-ABAIWWIYSA-N 1 1 301.390 1.875 10 0 DDAEMO CC[N@@H+](CC(=O)[O-])C1CC(NCc2cnn(C(C)(C)C)c2)C1 ZINC000263496713 408156793 /nfs/dbraw/zinc/15/67/93/408156793.db2.gz JVPBGUKJKUXANW-UHFFFAOYSA-N 1 1 308.426 1.665 10 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