smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC(CO)=CC2=C3CC=CC4=NC=C(C[C@H]21)C43 ZINC001560407650 960942077 /nfs/dbraw/zinc/94/20/77/960942077.db2.gz YHQZHFIZJZQLKP-OAHLLOKOSA-N 1 0 253.325 1.435 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001548448179 967500403 /nfs/dbraw/zinc/50/04/03/967500403.db2.gz SBSGREQCZXQENQ-LEWSCRJBSA-N 1 0 296.798 1.622 40 0 CDABRO COc1cc(-c2nnc([C@H](C)[NH3+])[nH]2)cc(OC)c1OC ZINC000082510301 178076488 /nfs/dbraw/zinc/07/64/88/178076488.db2.gz STODMWSQRKWEED-ZETCQYMHSA-N 1 0 278.312 1.517 40 0 CDABRO COCCN1CC[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]2C1=O ZINC000096054620 185076383 /nfs/dbraw/zinc/07/63/83/185076383.db2.gz IXSRFVUINFNKKR-GJZGRUSLSA-N 1 0 289.379 1.008 40 0 CDABRO Cc1cc(C[N@H+]2C[C@@H]3[C@H](C2)CNC(=O)[C@H]3C)oc1C ZINC000096066498 185084149 /nfs/dbraw/zinc/08/41/49/185084149.db2.gz FOEDGDRDHLSRQK-JKOKRWQUSA-N 1 0 262.353 1.710 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccoc1C)CC[C@H]2OC ZINC000096108516 185099436 /nfs/dbraw/zinc/09/94/36/185099436.db2.gz YBQQTLITZGKFGL-RRFJBIMHSA-N 1 0 292.379 1.769 40 0 CDABRO CN1C[C@@H]([NH3+])[C@@H](c2cccc(Br)c2)C1 ZINC000096958185 185141436 /nfs/dbraw/zinc/14/14/36/185141436.db2.gz JJDHYTTYWQJHLO-GHMZBOCLSA-N 1 0 255.159 1.805 40 0 CDABRO COCC[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c(C)noc2C)C1 ZINC000585107669 342212975 /nfs/dbraw/zinc/21/29/75/342212975.db2.gz NOGZLSWUBBWLDB-STQMWFEESA-N 1 0 293.367 1.084 40 0 CDABRO CNC(=O)C[C@]1(COC)CCC[N@@H+]1Cc1cccnc1 ZINC000585277702 342256432 /nfs/dbraw/zinc/25/64/32/342256432.db2.gz XEDQVLDPOWYLGN-HNNXBMFYSA-N 1 0 277.368 1.199 40 0 CDABRO C[C@H]1CN2C[C@H](O)C[C@@H]2C[N@@H+]1CC1(O)CCCCCC1 ZINC000585284020 342258630 /nfs/dbraw/zinc/25/86/30/342258630.db2.gz QPLQNPPAKKSBED-RRFJBIMHSA-N 1 0 282.428 1.211 40 0 CDABRO CO[C@@H]1CCOC2(CN(Cc3cccc(C)n3)C2)C1 ZINC000247860953 362136508 /nfs/dbraw/zinc/13/65/08/362136508.db2.gz GGILXRQPQSPMPP-CQSZACIVSA-N 1 0 262.353 1.770 40 0 CDABRO CCOc1ccc([C@@H](N)c2nc[nH]n2)cc1OCC ZINC000087878901 362163578 /nfs/dbraw/zinc/16/35/78/362163578.db2.gz LPMCBHLKXFPGLH-GFCCVEGCSA-N 1 0 262.313 1.650 40 0 CDABRO COC(=O)[C@@H]1CCCCC[C@H]1[NH2+]Cc1nncn1C ZINC000162451554 342436821 /nfs/dbraw/zinc/43/68/21/342436821.db2.gz NOPBUMJJSUYNKX-GHMZBOCLSA-N 1 0 266.345 1.027 40 0 CDABRO Cc1nc(-c2nccn2C)cc([C@H]2CCC[NH2+]C2)n1 ZINC000257243146 362579083 /nfs/dbraw/zinc/57/90/83/362579083.db2.gz IFQICGWGVQHKKE-NSHDSACASA-N 1 0 257.341 1.653 40 0 CDABRO Cc1nc(CN2CC[C@]3(CC[NH2+]C3)C2=O)cs1 ZINC000306131907 201843729 /nfs/dbraw/zinc/84/37/29/201843729.db2.gz KSKZFELDKRFQHD-LBPRGKRZSA-N 1 0 251.355 1.164 40 0 CDABRO O[C@@H]1C[C@@](C[NH2+]C2CCC2)(COc2cccnc2)C[C@@H]1O ZINC000107430320 186174492 /nfs/dbraw/zinc/17/44/92/186174492.db2.gz FNYUAJZBJDEDRU-MUJYYYPQSA-N 1 0 292.379 1.105 40 0 biogenic,in-vitro CDABRO O=C(N1CCCC1)N1CC[N@@H+]2C[C@@H](OCC3CC3)C[C@H]2C1 ZINC000107746694 186189318 /nfs/dbraw/zinc/18/93/18/186189318.db2.gz PAURGSWULQWVEN-GJZGRUSLSA-N 1 0 293.411 1.387 40 0 CDABRO COC[C@@H]1C[NH2+]Cc2cn(CC3CCOCC3)nc21 ZINC000107492394 186175935 /nfs/dbraw/zinc/17/59/35/186175935.db2.gz QCNMOKBGXKNUOY-ZDUSSCGKSA-N 1 0 265.357 1.143 40 0 CDABRO CN(C)C(=O)[C@H]1C[N@H+](C[C@@H]2CC=CCC2)[C@@H]2CCO[C@@H]21 ZINC000108529431 186222269 /nfs/dbraw/zinc/22/22/69/186222269.db2.gz VEOOARSKWGVIAZ-LXTVHRRPSA-N 1 0 278.396 1.520 40 0 CDABRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000002694387 355979163 /nfs/dbraw/zinc/97/91/63/355979163.db2.gz XPDGRPLZWISTPT-ZDUSSCGKSA-N 1 0 281.396 1.910 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1F ZINC000004497872 356033058 /nfs/dbraw/zinc/03/30/58/356033058.db2.gz RVOVRCWOQVWGCP-LLVKDONJSA-N 1 0 293.342 1.365 40 0 CDABRO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000019278315 356479005 /nfs/dbraw/zinc/47/90/05/356479005.db2.gz NJYHWCQPNHIKOI-SNVBAGLBSA-N 1 0 272.345 1.104 40 0 CDABRO CC(C)CCNC(=O)[C@H]1C[N@H+](C)Cc2cn(C)nc21 ZINC000019701579 356496153 /nfs/dbraw/zinc/49/61/53/356496153.db2.gz QEYFJVRZXCWMIL-LBPRGKRZSA-N 1 0 264.373 1.111 40 0 CDABRO Cn1nccc1C[N@@H+]1CC[C@H](C(=O)NC2CCCC2)C1 ZINC000019747718 356499065 /nfs/dbraw/zinc/49/90/65/356499065.db2.gz IXLJBQOHRCXNJD-LBPRGKRZSA-N 1 0 276.384 1.301 40 0 CDABRO CN(C(=O)C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404154 356990023 /nfs/dbraw/zinc/99/00/23/356990023.db2.gz XHHHRQKFSJLUIV-UHFFFAOYSA-N 1 0 261.369 1.068 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCO)C1 ZINC000079407885 356990908 /nfs/dbraw/zinc/99/09/08/356990908.db2.gz BRWKKMOAWMMRAM-LLVKDONJSA-N 1 0 258.362 1.310 40 0 CDABRO C[N@@H+]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000082307828 358158313 /nfs/dbraw/zinc/15/83/13/358158313.db2.gz RGXPNAKKVJCQJJ-LBPRGKRZSA-N 1 0 276.336 1.373 40 0 CDABRO CC(C)[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000072685597 358563956 /nfs/dbraw/zinc/56/39/56/358563956.db2.gz QMOAVJOSEMEHCD-OKILXGFUSA-N 1 0 298.427 1.512 40 0 CDABRO COCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096202770 358719345 /nfs/dbraw/zinc/71/93/45/358719345.db2.gz ATEDXVFCVZZIRN-UHFFFAOYSA-N 1 0 294.420 1.819 40 0 CDABRO COCC[N@@H+]1CCC[C@]12CCCN(c1ncccn1)C2 ZINC000096203227 358719350 /nfs/dbraw/zinc/71/93/50/358719350.db2.gz SKXTXPRRFDRKPO-HNNXBMFYSA-N 1 0 276.384 1.558 40 0 CDABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)N(C)C)CC2 ZINC000096206119 358720606 /nfs/dbraw/zinc/72/06/06/358720606.db2.gz IRDXQWHATCQTFW-LBPRGKRZSA-N 1 0 269.389 1.101 40 0 CDABRO COC[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)[N@@H+]1C ZINC000096207465 358720644 /nfs/dbraw/zinc/72/06/44/358720644.db2.gz OLRQZFOOZLOHFP-OAHLLOKOSA-N 1 0 292.427 1.495 40 0 CDABRO Cc1nc(CN2CC[C@]3(C[C@@H]3C(=O)NC3CC3)C2)cs1 ZINC000096227594 358723319 /nfs/dbraw/zinc/72/33/19/358723319.db2.gz GGTZWWIWQJDTQZ-HIFRSBDPSA-N 1 0 291.420 1.942 40 0 CDABRO c1coc(CNc2ncc3c(n2)[C@]2(CC[NH2+]C2)COC3)c1 ZINC000096244223 358724456 /nfs/dbraw/zinc/72/44/56/358724456.db2.gz FKOIUQXLZPZRFH-HNNXBMFYSA-N 1 0 286.335 1.443 40 0 CDABRO O=C1[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2CN1CC1CC1 ZINC000096245031 358724992 /nfs/dbraw/zinc/72/49/92/358724992.db2.gz JKVPIIBTHOIIQL-KBPBESRZSA-N 1 0 260.337 1.580 40 0 CDABRO COCC[N@@H+]1CCc2ncnc(NC(C)C)c2CC1 ZINC000096255539 358728675 /nfs/dbraw/zinc/72/86/75/358728675.db2.gz IPSCKAYXENZZFY-UHFFFAOYSA-N 1 0 264.373 1.344 40 0 CDABRO CC[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000023249176 359224306 /nfs/dbraw/zinc/22/43/06/359224306.db2.gz KXFIPXBMCSGYBK-UHFFFAOYSA-N 1 0 272.352 1.061 40 0 CDABRO CC(=O)O[C@@H]1OC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000026896088 359708985 /nfs/dbraw/zinc/70/89/85/359708985.db2.gz OIMDYFXQAQBIGI-GZBFAFLISA-N 1 0 275.304 1.181 40 0 CDABRO O[C@H](C[NH2+]Cc1ccccc1)COCc1ccco1 ZINC000026897802 359758107 /nfs/dbraw/zinc/75/81/07/359758107.db2.gz UNENPFOFQZUKJC-CQSZACIVSA-N 1 0 261.321 1.947 40 0 CDABRO COC[C@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217990026 189712739 /nfs/dbraw/zinc/71/27/39/189712739.db2.gz VIWMYMDRNJLKBZ-CHWSQXEVSA-N 1 0 269.366 1.133 40 0 CDABRO Cc1ccc(OCCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000072798662 541874613 /nfs/dbraw/zinc/87/46/13/541874613.db2.gz BPAGNVVDXDFZMU-UHFFFAOYSA-N 1 0 276.380 1.832 40 0 CDABRO COc1ccc(OC)c([C@H](C[NH3+])N2CCOCC2)c1 ZINC000019796347 374791573 /nfs/dbraw/zinc/79/15/73/374791573.db2.gz GUGVZBRWYKIBAN-ZDUSSCGKSA-N 1 0 266.341 1.036 40 0 CDABRO CC[NH+](CC)CCCNc1nc(N)nc2c1nc(C)n2C ZINC000057279246 375409506 /nfs/dbraw/zinc/40/95/06/375409506.db2.gz ACILSSGOXXIWCK-UHFFFAOYSA-N 1 0 291.403 1.398 40 0 CDABRO COCCCNC(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257203644 190011588 /nfs/dbraw/zinc/01/15/88/190011588.db2.gz AQZIZAWCCWXJCH-UHFFFAOYSA-N 1 0 299.374 1.974 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257215164 190013046 /nfs/dbraw/zinc/01/30/46/190013046.db2.gz COYWILHDSMXMHQ-SNVBAGLBSA-N 1 0 262.313 1.242 40 0 CDABRO C[N@@H+]1CCC[C@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257215163 190013174 /nfs/dbraw/zinc/01/31/74/190013174.db2.gz COYWILHDSMXMHQ-JTQLQIEISA-N 1 0 262.313 1.242 40 0 CDABRO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC000257226862 190015709 /nfs/dbraw/zinc/01/57/09/190015709.db2.gz FMMKJRCPNYDRKM-CYBMUJFWSA-N 1 0 282.347 1.710 40 0 CDABRO Cn1cncc1-c1cncc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000257220163 190014368 /nfs/dbraw/zinc/01/43/68/190014368.db2.gz DJUXJYYIGJLKQC-GFCCVEGCSA-N 1 0 287.367 1.049 40 0 CDABRO Cc1cnn(CC(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)c1 ZINC000257243602 190018838 /nfs/dbraw/zinc/01/88/38/190018838.db2.gz IHSNNURISOTZCD-HIFRSBDPSA-N 1 0 276.384 1.325 40 0 CDABRO Cc1cc(Nc2cc(NC3CC[NH2+]CC3)nc(C)n2)n[nH]1 ZINC000257284846 190026579 /nfs/dbraw/zinc/02/65/79/190026579.db2.gz PENTYLDIURQWTE-UHFFFAOYSA-N 1 0 287.371 1.724 40 0 CDABRO Cn1cncc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257307428 190031465 /nfs/dbraw/zinc/03/14/65/190031465.db2.gz SYPALGHNKHXJQZ-HNNXBMFYSA-N 1 0 256.353 1.567 40 0 CDABRO CCn1cc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257316310 190033076 /nfs/dbraw/zinc/03/30/76/190033076.db2.gz VFAADGJUSSYEKO-LBPRGKRZSA-N 1 0 259.357 1.924 40 0 CDABRO Cn1ncc(Cl)c1C[NH2+]CC1(C(N)=O)CCOCC1 ZINC000331229836 376677141 /nfs/dbraw/zinc/67/71/41/376677141.db2.gz PPKAGGABECPXJO-UHFFFAOYSA-N 1 0 286.763 1.495 40 0 CDABRO CCO[C@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)CC)CC2 ZINC000096421799 256788910 /nfs/dbraw/zinc/78/89/10/256788910.db2.gz OEOHHUKMKDUVPJ-XQQFMLRXSA-N 1 0 257.374 1.009 40 0 CDABRO COC1(OC)CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000033607269 390399070 /nfs/dbraw/zinc/39/90/70/390399070.db2.gz ANEFKQJYRFOSON-CYBMUJFWSA-N 1 0 251.326 1.242 40 0 CDABRO Cc1ccc(NC(=S)NC2CC[NH+](C)CC2)nc1 ZINC000063144907 390525469 /nfs/dbraw/zinc/52/54/69/390525469.db2.gz SDYORSLSILJGQK-UHFFFAOYSA-N 1 0 264.398 1.771 40 0 CDABRO CCOC(=O)[C@@H]1CC[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000096510332 390530440 /nfs/dbraw/zinc/53/04/40/390530440.db2.gz ICLFKLQIHHBWQG-ZJUUUORDSA-N 1 0 272.345 1.052 40 0 CDABRO CC(=O)N1CCN(c2ncc([C@H](C)[NH3+])cc2C)CC1 ZINC000072222696 390624004 /nfs/dbraw/zinc/62/40/04/390624004.db2.gz XPHVNLPYOQUIHM-NSHDSACASA-N 1 0 262.357 1.078 40 0 CDABRO CC(C)[N@@H+]1CCOC[C@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049717 390912359 /nfs/dbraw/zinc/91/23/59/390912359.db2.gz WATWUPRTUQZPHO-INIZCTEOSA-N 1 0 294.395 1.591 40 0 CDABRO COCC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1cscn1 ZINC000096063970 390912510 /nfs/dbraw/zinc/91/25/10/390912510.db2.gz BOTQCHMKWAFTCY-NWDGAFQWSA-N 1 0 281.381 1.078 40 0 CDABRO Cc1cccc(N2C(=O)C[C@@]3(CCC[NH2+]C3)C2=O)c1 ZINC000096157214 390913275 /nfs/dbraw/zinc/91/32/75/390913275.db2.gz PCKPFEMKIOBUEW-OAHLLOKOSA-N 1 0 258.321 1.628 40 0 CDABRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)NC(N)=O ZINC000048580992 391478545 /nfs/dbraw/zinc/47/85/45/391478545.db2.gz NRUNZICSOXYPCE-SECBINFHSA-N 1 0 283.759 1.918 40 0 CDABRO CCS(=O)(=O)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004703365 286667278 /nfs/dbraw/zinc/66/72/78/286667278.db2.gz QWYOZARWPQFUCL-XQQFMLRXSA-N 1 0 272.414 1.142 40 0 CDABRO C[NH+](C)CCOCCOC(=O)Nc1ccccc1 ZINC000005535381 170109877 /nfs/dbraw/zinc/10/98/77/170109877.db2.gz FAWUCOQSQCIOIB-UHFFFAOYSA-N 1 0 252.314 1.813 40 0 CDABRO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCCC1 ZINC000006423017 170200028 /nfs/dbraw/zinc/20/00/28/170200028.db2.gz MGSFDURHEMGIML-HNNXBMFYSA-N 1 0 273.380 1.916 40 0 CDABRO COc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022174870 171369637 /nfs/dbraw/zinc/36/96/37/171369637.db2.gz SDSLHHOEKIAOFX-ZOWXZIJZSA-N 1 0 264.369 1.804 40 0 CDABRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000038832717 174157081 /nfs/dbraw/zinc/15/70/81/174157081.db2.gz CHEOHXDFISCJJK-INIZCTEOSA-N 1 0 288.391 1.757 40 0 CDABRO Brc1ccccc1C[C@H]1C[NH2+]CCO1 ZINC000071577319 176205551 /nfs/dbraw/zinc/20/55/51/176205551.db2.gz SFTMNWLAZLCRRN-JTQLQIEISA-N 1 0 256.143 1.980 40 0 CDABRO CC[C@](O)(C[NH3+])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072208080 176342932 /nfs/dbraw/zinc/34/29/32/176342932.db2.gz XVTLGSGBZVAHQK-FZMZJTMJSA-N 1 0 272.389 1.733 40 0 CDABRO CNC(=O)[C@]1(CCCc2cccnc2)CCC[NH2+]C1 ZINC000072344209 176372655 /nfs/dbraw/zinc/37/26/55/176372655.db2.gz MIPQMWRTGKURTM-OAHLLOKOSA-N 1 0 261.369 1.520 40 0 CDABRO CNC(=O)[C@@]1(C)CCC[N@H+](Cc2cccnc2NC)C1 ZINC000072346331 176373250 /nfs/dbraw/zinc/37/32/50/176373250.db2.gz CIZJFBZLCSFQCQ-HNNXBMFYSA-N 1 0 276.384 1.471 40 0 CDABRO CNc1cc(Nc2nccc([C@@H]3CCC[NH2+]3)n2)ncn1 ZINC000072376731 176385041 /nfs/dbraw/zinc/38/50/41/176385041.db2.gz BCPRURUHZWLTID-VIFPVBQESA-N 1 0 271.328 1.476 40 0 CDABRO Cn1ccnc1CNc1cnc([C@H]2CCC[NH2+]C2)cn1 ZINC000072386932 176392473 /nfs/dbraw/zinc/39/24/73/176392473.db2.gz OTZGADYOMJSCBQ-NSHDSACASA-N 1 0 272.356 1.289 40 0 CDABRO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)cc1 ZINC000072397637 176395181 /nfs/dbraw/zinc/39/51/81/176395181.db2.gz VXPYDZKZWJSQAM-VHDGCEQUSA-N 1 0 276.380 1.335 40 0 CDABRO Cc1ncc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000077957491 177312952 /nfs/dbraw/zinc/31/29/52/177312952.db2.gz MXHYTRMDMIOAFF-GFCCVEGCSA-N 1 0 298.408 1.965 40 0 CDABRO O=C(NCc1cccs1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096157300 260563703 /nfs/dbraw/zinc/56/37/03/260563703.db2.gz UYUPNQSQBBCALR-ZDUSSCGKSA-N 1 0 294.420 1.913 40 0 CDABRO c1cncc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000062717795 262303185 /nfs/dbraw/zinc/30/31/85/262303185.db2.gz UOPJSZOBENLSIS-UHFFFAOYSA-N 1 0 269.352 1.762 40 0 CDABRO c1ccc(-c2ncc3c(n2)[C@]2(CC[NH2+]C2)COC3)cc1 ZINC000096244351 265345737 /nfs/dbraw/zinc/34/57/37/265345737.db2.gz SLYSOCOOFKJSFI-INIZCTEOSA-N 1 0 267.332 1.905 40 0 CDABRO COc1cccc(OC)c1OC[C@H](O)C[NH2+]C(C)C ZINC000001469944 278018713 /nfs/dbraw/zinc/01/87/13/278018713.db2.gz MMVIGWXRBSTWKL-LLVKDONJSA-N 1 0 269.341 1.442 40 0 CDABRO CC(C)c1nccn1CCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000236824980 280140551 /nfs/dbraw/zinc/14/05/51/280140551.db2.gz VSTUWQYRYRQWTI-ZDUSSCGKSA-N 1 0 278.400 1.736 40 0 CDABRO NC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000072356701 295169767 /nfs/dbraw/zinc/16/97/67/295169767.db2.gz SPGKSVPHFFSEKF-GFCCVEGCSA-N 1 0 262.357 1.978 40 0 CDABRO COc1ccc(Cl)cc1N1CC[C@H](C[NH3+])S1(=O)=O ZINC000260788387 328069223 /nfs/dbraw/zinc/06/92/23/328069223.db2.gz ZQGNLHAVYVMJLB-SECBINFHSA-N 1 0 290.772 1.216 40 0 CDABRO CCOC(=O)CN1CCN(CCC(F)(F)F)CC1 ZINC000575441309 329119991 /nfs/dbraw/zinc/11/99/91/329119991.db2.gz BEOFURLNJTXMKE-UHFFFAOYSA-N 1 0 268.279 1.120 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@H]1c1ccc(F)cc1 ZINC000242722810 567901482 /nfs/dbraw/zinc/90/14/82/567901482.db2.gz XVHGYMBGPQNORA-QJPTWQEYSA-N 1 0 257.330 1.301 40 0 CDABRO C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000074713431 567903860 /nfs/dbraw/zinc/90/38/60/567903860.db2.gz QNBDWUQJXAWNSB-UHFFFAOYSA-N 1 0 276.336 1.738 40 0 CDABRO COC(=O)C1(CNC(=O)OC(C)(C)C)CC[NH2+]CC1 ZINC000238373453 1180110167 /nfs/dbraw/zinc/11/01/67/1180110167.db2.gz COSVYQJPWXOLFH-UHFFFAOYSA-N 1 0 272.345 1.054 40 0 CDABRO [NH3+][C@H](Cc1ccccc1)c1nc([C@H]2CCCO2)n[nH]1 ZINC000095534907 185008062 /nfs/dbraw/zinc/00/80/62/185008062.db2.gz CSEGQTQTHWYHON-VXGBXAGGSA-N 1 0 258.325 1.899 40 0 CDABRO CC(C)(C)OC(=O)N1CCOC[C@@]2(C[NH2+]CCCO2)C1 ZINC000095740441 342557105 /nfs/dbraw/zinc/55/71/05/342557105.db2.gz GUBGKLFKFPLBLL-CQSZACIVSA-N 1 0 286.372 1.002 40 0 CDABRO C[N@H+](Cc1ccncc1)[C@H]1CCC[C@@H]2CN(C(N)=O)C[C@@H]21 ZINC000096038538 185069307 /nfs/dbraw/zinc/06/93/07/185069307.db2.gz YAHFKEQTIVKDCB-ILXRZTDVSA-N 1 0 288.395 1.693 40 0 CDABRO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042742 185070397 /nfs/dbraw/zinc/07/03/97/185070397.db2.gz RZSWMCDSVKPWOO-YNEHKIRRSA-N 1 0 280.393 1.474 40 0 CDABRO Cn1cc(C[NH+]2CCC3(CCCC(=O)N3)CC2)cn1 ZINC000096047386 185072505 /nfs/dbraw/zinc/07/25/05/185072505.db2.gz FTPRLZKRDKUSCL-UHFFFAOYSA-N 1 0 262.357 1.055 40 0 CDABRO Cc1noc([C@H]2C[C@H]3OCC[C@H]3[N@H+](CC3CC3)C2)n1 ZINC000096057637 185078109 /nfs/dbraw/zinc/07/81/09/185078109.db2.gz JKYKMEWNVGMOKB-YNEHKIRRSA-N 1 0 263.341 1.735 40 0 CDABRO Cn1cc2c(n1)[C@@H](C[NH2+]CC1CCOCC1)OCC2 ZINC000096059691 185080848 /nfs/dbraw/zinc/08/08/48/185080848.db2.gz GHDBQYZVMGPZBI-CYBMUJFWSA-N 1 0 265.357 1.050 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1scnc1C)CC[C@@H]2OC ZINC000096109408 185099248 /nfs/dbraw/zinc/09/92/48/185099248.db2.gz NWLPRWALAPKJFG-MJBXVCDLSA-N 1 0 295.452 1.993 40 0 CDABRO CO[C@@H]1CCN(C(C)=O)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096108592 185099636 /nfs/dbraw/zinc/09/96/36/185099636.db2.gz MFYKBMBQZHAKGG-ARFHVFGLSA-N 1 0 289.379 1.149 40 0 CDABRO OC[C@@H]1CCn2nccc2C[N@@H+]1CCc1ccccc1 ZINC000585097386 342211520 /nfs/dbraw/zinc/21/15/20/342211520.db2.gz KOVSWBFZOVPGIX-INIZCTEOSA-N 1 0 271.364 1.692 40 0 CDABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(C(=O)C1CC(C)C1)C2 ZINC000585103575 342212437 /nfs/dbraw/zinc/21/24/37/342212437.db2.gz YAJDOUAKVMCNIS-UWTIDYAISA-N 1 0 280.412 1.459 40 0 CDABRO CCOC(=O)N1CC[C@](C)(O)[C@@H]([NH+](CC)CC)C1 ZINC000685936097 539099022 /nfs/dbraw/zinc/09/90/22/539099022.db2.gz DXRLAUPLSMQUDG-AAEUAGOBSA-N 1 0 258.362 1.310 40 0 CDABRO OCC[N@@H+]1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585275137 342256044 /nfs/dbraw/zinc/25/60/44/342256044.db2.gz YCWVCOATISQDFS-TZMCWYRMSA-N 1 0 253.317 1.043 40 0 CDABRO COC[C@H]1CCC[N@H+](CCC(=O)NC(C)(C)C)C1 ZINC000079090953 362139360 /nfs/dbraw/zinc/13/93/60/362139360.db2.gz PEQGCJDGPNKFJD-LBPRGKRZSA-N 1 0 256.390 1.650 40 0 CDABRO C[N@H+]1Cc2cccn2C[C@H](C(=O)NCc2cccnc2)C1 ZINC000248149794 362154403 /nfs/dbraw/zinc/15/44/03/362154403.db2.gz SWLNAXYLFHIWSB-CQSZACIVSA-N 1 0 284.363 1.261 40 0 CDABRO CC[N@@H+]1CCC[C@](C)(c2nncn2CCOC)C1 ZINC000205703106 343342112 /nfs/dbraw/zinc/34/21/12/343342112.db2.gz JYAGAJYGLASLHM-ZDUSSCGKSA-N 1 0 252.362 1.298 40 0 CDABRO C[N@@H+]1CCCC[C@H]1c1cncc(N2CCC(O)CC2)n1 ZINC000257219764 362578148 /nfs/dbraw/zinc/57/81/48/362578148.db2.gz DIAMEFHLHFWNEJ-AWEZNQCLSA-N 1 0 276.384 1.595 40 0 CDABRO CCOC(=O)CC[NH+](CCC(=O)OCC)C(C)C ZINC000001555968 346061069 /nfs/dbraw/zinc/06/10/69/346061069.db2.gz BMLICZLCSBWNEJ-UHFFFAOYSA-N 1 0 259.346 1.603 40 0 CDABRO COCC[C@H]1CO[C@]2(CC[N@H+](Cc3[nH]cnc3C)C2)C1 ZINC000107784975 186190794 /nfs/dbraw/zinc/19/07/94/186190794.db2.gz ANNNFYNOQVMSNQ-UKRRQHHQSA-N 1 0 279.384 1.736 40 0 CDABRO COc1ccc(C2CC[NH+](CCOCCO)CC2)cc1 ZINC000074992522 366144824 /nfs/dbraw/zinc/14/48/24/366144824.db2.gz RVQMQQKZTLVSMV-UHFFFAOYSA-N 1 0 279.380 1.884 40 0 CDABRO O=c1c2cccnc2ncn1CC[NH+]1CCCCC1 ZINC000001617223 355941709 /nfs/dbraw/zinc/94/17/09/355941709.db2.gz ZVMZHROEWYWOJY-UHFFFAOYSA-N 1 0 258.325 1.277 40 0 CDABRO COc1ccccc1C[N@@H+]1CCc2nc(C)[nH]c(=O)c2C1 ZINC000012113716 356287146 /nfs/dbraw/zinc/28/71/46/356287146.db2.gz FYZMAEXSENNAHW-UHFFFAOYSA-N 1 0 285.347 1.645 40 0 CDABRO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)NC1CC1 ZINC000012114666 356287837 /nfs/dbraw/zinc/28/78/37/356287837.db2.gz DUDPCYCDXJRJPI-UHFFFAOYSA-N 1 0 299.378 1.347 40 0 CDABRO COC(=O)[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000012648537 356316266 /nfs/dbraw/zinc/31/62/66/356316266.db2.gz QHQABJVSGUGKSW-GHMZBOCLSA-N 1 0 286.372 1.395 40 0 CDABRO O=c1cc(-c2cccnc2)nc(C2CC[NH2+]CC2)[nH]1 ZINC000019340371 356480621 /nfs/dbraw/zinc/48/06/21/356480621.db2.gz OVQDHDLNINUBAX-UHFFFAOYSA-N 1 0 256.309 1.299 40 0 CDABRO [NH3+][C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000019369259 356483222 /nfs/dbraw/zinc/48/32/22/356483222.db2.gz HXGRFEYEFSYRLH-ZDUSSCGKSA-N 1 0 255.321 1.890 40 0 CDABRO Cc1cc(Cl)ccc1NC(=O)CN1CC[NH2+]CC1 ZINC000019797590 356504872 /nfs/dbraw/zinc/50/48/72/356504872.db2.gz IEHODXWLONMQLF-UHFFFAOYSA-N 1 0 267.760 1.492 40 0 CDABRO CCOc1ccc(C[NH2+]CCN(C)C)cc1OC ZINC000020083575 356525127 /nfs/dbraw/zinc/52/51/27/356525127.db2.gz YELOUIRHGHCRCJ-UHFFFAOYSA-N 1 0 252.358 1.745 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@@H](CN(C(=O)C[NH3+])C2CC2)C1 ZINC000079391143 356988358 /nfs/dbraw/zinc/98/83/58/356988358.db2.gz RVRLDHCVUBDXCH-LLVKDONJSA-N 1 0 297.399 1.193 40 0 CDABRO CCN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)C[NH3+] ZINC000079404230 356989897 /nfs/dbraw/zinc/98/98/97/356989897.db2.gz SRWOOKLBBDVETI-UHFFFAOYSA-N 1 0 289.423 1.706 40 0 CDABRO CN(C[C@H]1CCCN1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411450 356994264 /nfs/dbraw/zinc/99/42/64/356994264.db2.gz ZPTUJXHLUOJBQR-OAHLLOKOSA-N 1 0 291.395 1.678 40 0 CDABRO CCOc1cccc(NC(=S)NCC[NH+](C)C)c1 ZINC000054971759 357327014 /nfs/dbraw/zinc/32/70/14/357327014.db2.gz PCLAXFYMLSBHOU-UHFFFAOYSA-N 1 0 267.398 1.933 40 0 CDABRO [NH3+]C1CCN(c2nccn(-c3ccccc3F)c2=O)CC1 ZINC000096530559 357524922 /nfs/dbraw/zinc/52/49/22/357524922.db2.gz CHBPJDKTAUVJQQ-UHFFFAOYSA-N 1 0 288.326 1.299 40 0 CDABRO NC(=O)CC[N@@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000019376624 283285137 /nfs/dbraw/zinc/28/51/37/283285137.db2.gz YNNYGEDCBGYQTQ-LLVKDONJSA-N 1 0 289.335 1.107 40 0 CDABRO O=C(c1ccoc1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184401 358713790 /nfs/dbraw/zinc/71/37/90/358713790.db2.gz FIRYUCAQLJVBMH-UONOGXRCSA-N 1 0 260.337 1.978 40 0 CDABRO O=C(CC1CC1)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC000096197245 358716578 /nfs/dbraw/zinc/71/65/78/358716578.db2.gz WUSFHUWZRVHOGS-UHFFFAOYSA-N 1 0 288.395 1.621 40 0 CDABRO Cn1cc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cn1 ZINC000096200002 358717095 /nfs/dbraw/zinc/71/70/95/358717095.db2.gz BVOSDTKYWWFVBU-JKSUJKDBSA-N 1 0 271.364 1.598 40 0 CDABRO COC[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)[N@@H+]1C ZINC000096207659 358720048 /nfs/dbraw/zinc/72/00/48/358720048.db2.gz WUFWANDTFQDCDR-AWEZNQCLSA-N 1 0 292.379 1.995 40 0 CDABRO COC[C@@H]1C(=O)NCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096208127 358720103 /nfs/dbraw/zinc/72/01/03/358720103.db2.gz AFLTYXRYZDIBLA-CQSZACIVSA-N 1 0 289.379 1.056 40 0 CDABRO C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228726 358724182 /nfs/dbraw/zinc/72/41/82/358724182.db2.gz MOQYKUIQOPVYGD-OAHLLOKOSA-N 1 0 294.420 1.933 40 0 CDABRO c1coc(CNc2ncc3c(n2)[C@@]2(CC[NH2+]C2)COC3)c1 ZINC000096244222 358724955 /nfs/dbraw/zinc/72/49/55/358724955.db2.gz FKOIUQXLZPZRFH-OAHLLOKOSA-N 1 0 286.335 1.443 40 0 CDABRO O=C1[C@H]2C[N@@H+](C3CCOCC3)C[C@H]2CN1c1ccsc1 ZINC000096245221 358725678 /nfs/dbraw/zinc/72/56/78/358725678.db2.gz SIRCUPZJMYXQQT-FZMZJTMJSA-N 1 0 292.404 1.822 40 0 CDABRO CCOc1ncnc2c1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096255622 358728444 /nfs/dbraw/zinc/72/84/44/358728444.db2.gz SGRRXIQNHOUGRS-LBPRGKRZSA-N 1 0 277.368 1.312 40 0 CDABRO CC(=O)N1CCC2(CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC000096268708 358730798 /nfs/dbraw/zinc/73/07/98/358730798.db2.gz RIHPCYLUMIGPIE-CQSZACIVSA-N 1 0 266.385 1.357 40 0 CDABRO O=C([C@@H]1CCC[N@H+](C[C@@H]2CO2)C1)N1CCCCC1 ZINC000095097816 366523295 /nfs/dbraw/zinc/52/32/95/366523295.db2.gz PDGPTTPQFVCBMQ-CHWSQXEVSA-N 1 0 252.358 1.110 40 0 CDABRO CNC(=S)N1CC[NH+](C2CCSCC2)CC1 ZINC000225217326 359561065 /nfs/dbraw/zinc/56/10/65/359561065.db2.gz UBVWHJQJIIZRCB-UHFFFAOYSA-N 1 0 259.444 1.004 40 0 CDABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)CC2)cn1 ZINC000225930971 359633718 /nfs/dbraw/zinc/63/37/18/359633718.db2.gz YFKNFQASXYDPPF-UHFFFAOYSA-N 1 0 263.341 1.761 40 0 CDABRO CCN(CC)S(=O)(=O)c1ccc(OCC(N)=[NH2+])cc1 ZINC000226104928 359647220 /nfs/dbraw/zinc/64/72/20/359647220.db2.gz NIGOIFAMPQRJSA-UHFFFAOYSA-N 1 0 285.369 1.032 40 0 CDABRO CC(C)CN1CC2(C1)C[N@H+](CC(C)C)C[C@H]1C[C@@H](O)CN12 ZINC000514290055 360126479 /nfs/dbraw/zinc/12/64/79/360126479.db2.gz SCZWLYRQCAFKJC-HZPDHXFCSA-N 1 0 295.471 1.104 40 0 biogenic,in-vitro CDABRO COc1ccc(O[C@H](C)C(=O)NCCC[NH+](C)C)cc1 ZINC000014399626 361485932 /nfs/dbraw/zinc/48/59/32/361485932.db2.gz UHKQZLMYVOUEFN-GFCCVEGCSA-N 1 0 280.368 1.530 40 0 CDABRO C[NH+]1CCN(c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000007387822 364883500 /nfs/dbraw/zinc/88/35/00/364883500.db2.gz ZDDRGCPKWMLOHV-UHFFFAOYSA-N 1 0 287.285 1.939 40 0 CDABRO COCC[N@@H+]1CC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC000528470190 367853227 /nfs/dbraw/zinc/85/32/27/367853227.db2.gz DCRBVWFFROLXOX-NSHDSACASA-N 1 0 281.356 1.249 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000079409214 284193315 /nfs/dbraw/zinc/19/33/15/284193315.db2.gz PLLZKTLSVDYYFT-VXGBXAGGSA-N 1 0 299.415 1.630 40 0 CDABRO CCN(CC)C(=O)[C@H]([NH3+])Cc1ccc(OC)cc1 ZINC000001594223 373656979 /nfs/dbraw/zinc/65/69/79/373656979.db2.gz PATHQBZMXUMEQX-CYBMUJFWSA-N 1 0 250.342 1.433 40 0 CDABRO C[NH2+]C1CCN(c2cc(OC)nc(SC)n2)CC1 ZINC000079439962 374405208 /nfs/dbraw/zinc/40/52/08/374405208.db2.gz WKSQBQYQDKWSRB-UHFFFAOYSA-N 1 0 268.386 1.395 40 0 CDABRO C[C@@H](C(=O)[O-])[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000225453810 374429211 /nfs/dbraw/zinc/42/92/11/374429211.db2.gz NTYPKJXETYHLKQ-ZFWWWQNUSA-N 1 0 276.380 1.913 40 0 CDABRO Cc1nn(C(C)C)cc1C[NH2+]CCN1CCOCC1 ZINC000256051359 190003923 /nfs/dbraw/zinc/00/39/23/190003923.db2.gz IWDZCKFEIQUERH-UHFFFAOYSA-N 1 0 266.389 1.194 40 0 CDABRO CCOCCN1CC[NH2+]C[C@@H]1c1cccc(C(=O)NC)c1 ZINC000257205089 190011644 /nfs/dbraw/zinc/01/16/44/190011644.db2.gz AXPOXSDTPHRJMF-OAHLLOKOSA-N 1 0 291.395 1.029 40 0 CDABRO CCC(=O)N1CCC[C@H](c2nnc([C@@H]3CCC[NH2+]C3)o2)C1 ZINC000257228439 190016315 /nfs/dbraw/zinc/01/63/15/190016315.db2.gz FTVYUPYYVVVKCK-NEPJUHHUSA-N 1 0 292.383 1.653 40 0 CDABRO Cc1c[nH]c(-c2cncc(C[C@H]3CCC[NH2+]C3)n2)n1 ZINC000257243743 190018446 /nfs/dbraw/zinc/01/84/46/190018446.db2.gz IIJUIVPJCQEGOV-LLVKDONJSA-N 1 0 257.341 1.717 40 0 CDABRO Cn1cc(-c2cnc(CC3CC[NH2+]CC3)cn2)cn1 ZINC000257248707 190020138 /nfs/dbraw/zinc/02/01/38/190020138.db2.gz JEVRPJJAKLJSMK-UHFFFAOYSA-N 1 0 257.341 1.419 40 0 CDABRO C[C@]1(C(=O)NCc2cccc(Cl)c2)C[NH2+]CCO1 ZINC000257273350 190025119 /nfs/dbraw/zinc/02/51/19/190025119.db2.gz NGENFUUDBABUBY-CYBMUJFWSA-N 1 0 268.744 1.335 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@@H]1c1ccc(C)cc1 ZINC000218508247 375849935 /nfs/dbraw/zinc/84/99/35/375849935.db2.gz DGAWDQKYHGEZIB-RWMBFGLXSA-N 1 0 253.367 1.470 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1C[NH3+] ZINC000218556173 375856238 /nfs/dbraw/zinc/85/62/38/375856238.db2.gz SIXQGMGVEFVBGH-GRYCIOLGSA-N 1 0 273.785 1.815 40 0 CDABRO Cc1cc(Nc2ncc(F)c(C[C@@H]3CC[NH2+]C3)n2)n[nH]1 ZINC000257307248 190030901 /nfs/dbraw/zinc/03/09/01/190030901.db2.gz SXVTWPRONFCDLS-VIFPVBQESA-N 1 0 276.319 1.543 40 0 CDABRO CC(C)CN1c2ccc(OCC[NH3+])cc2CCC1=O ZINC000218792546 375899394 /nfs/dbraw/zinc/89/93/94/375899394.db2.gz UFDTYEUFGVSDOX-UHFFFAOYSA-N 1 0 262.353 1.959 40 0 CDABRO Cn1ccnc1-c1nccnc1C[C@@H]1CCC[N@H+](C)C1 ZINC000257326728 190034724 /nfs/dbraw/zinc/03/47/24/190034724.db2.gz WYJJQFDELCXILW-LBPRGKRZSA-N 1 0 271.368 1.761 40 0 CDABRO Cc1nc([C@@H]2CCC[NH2+]2)ncc1C(=O)N1CCCC1 ZINC000257329816 190035176 /nfs/dbraw/zinc/03/51/76/190035176.db2.gz XLQKVMRVFAVPJY-LBPRGKRZSA-N 1 0 260.341 1.446 40 0 CDABRO Cn1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000212045367 376210565 /nfs/dbraw/zinc/21/05/65/376210565.db2.gz GZYMBJGNCRHUEQ-HNNXBMFYSA-N 1 0 256.353 1.567 40 0 CDABRO O=C1c2cc(Br)ccc2CN1[C@H]1CC[NH2+]C1 ZINC000095097790 285014508 /nfs/dbraw/zinc/01/45/08/285014508.db2.gz KXFSSHWDMBAOKG-JTQLQIEISA-N 1 0 281.153 1.767 40 0 CDABRO O=c1[nH]c(CN2CC[N@@H+]3CCCC[C@@H]3C2)nc2ccccc21 ZINC000019375876 285195910 /nfs/dbraw/zinc/19/59/10/285195910.db2.gz YGKOGHZPEDWOCB-CYBMUJFWSA-N 1 0 298.390 1.593 40 0 CDABRO Cc1cc(N2CCC[C@](O)(C[NH3+])C2)c2cnccc2n1 ZINC000257242854 291936238 /nfs/dbraw/zinc/93/62/38/291936238.db2.gz IELZJQAXHRGLIL-HNNXBMFYSA-N 1 0 272.352 1.228 40 0 CDABRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1cccc(-n2cccn2)c1 ZINC000080723879 177696078 /nfs/dbraw/zinc/69/60/78/177696078.db2.gz RENGXXZJUCAFPF-WFASDCNBSA-N 1 0 284.363 1.802 40 0 CDABRO CCCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019501322 390228011 /nfs/dbraw/zinc/22/80/11/390228011.db2.gz MLBLDUBTKYNPHL-GFCCVEGCSA-N 1 0 288.395 1.628 40 0 CDABRO CC(C)OC(=O)[C@@H]1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000096510353 390530515 /nfs/dbraw/zinc/53/05/15/390530515.db2.gz OYZYEXJAVIGOIB-QWRGUYRKSA-N 1 0 286.372 1.441 40 0 CDABRO [NH3+][C@H](c1ccccc1)c1ccc(N2CCN(C=O)CC2)nc1 ZINC000072225599 390626003 /nfs/dbraw/zinc/62/60/03/390626003.db2.gz VDGRHSHRYBZJCC-QGZVFWFLSA-N 1 0 296.374 1.408 40 0 CDABRO CC[C@@](O)(C[NH3+])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207981 390616059 /nfs/dbraw/zinc/61/60/59/390616059.db2.gz XVIIDNBWPFHEFP-GXFFZTMASA-N 1 0 258.362 1.486 40 0 CDABRO COCC[N@@H+]1CCC[C@@]12CCCN(c1ncccn1)C2 ZINC000096203226 390913358 /nfs/dbraw/zinc/91/33/58/390913358.db2.gz SKXTXPRRFDRKPO-OAHLLOKOSA-N 1 0 276.384 1.558 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@]1(C[NH3+])COC ZINC000252514493 392796909 /nfs/dbraw/zinc/79/69/09/392796909.db2.gz CPXWCVFFZLXJNZ-MJBXVCDLSA-N 1 0 283.393 1.179 40 0 CDABRO C[N@H+]1[C@@H]2CCCC(=O)N[C@H]2C[C@@H]1Cc1ccccc1 ZINC000257259372 397607389 /nfs/dbraw/zinc/60/73/89/397607389.db2.gz KYCGZFRRMZCRSC-SOUVJXGZSA-N 1 0 258.365 1.971 40 0 CDABRO CC[NH+](CC)CCCNC(=S)NCc1cnn(C)c1C ZINC000002791399 169831311 /nfs/dbraw/zinc/83/13/11/169831311.db2.gz RMEMSJPSVYEYDZ-UHFFFAOYSA-N 1 0 297.472 1.425 40 0 CDABRO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OC ZINC000008535051 170339385 /nfs/dbraw/zinc/33/93/85/170339385.db2.gz CAKDXOPUIMVDAY-MRVPVSSYSA-N 1 0 259.733 1.828 40 0 CDABRO C[C@H](O)C[NH2+]CCNCc1ccc(Br)cc1 ZINC000022074973 171352208 /nfs/dbraw/zinc/35/22/08/171352208.db2.gz YDAVAFKRNPDFRB-JTQLQIEISA-N 1 0 287.201 1.509 40 0 CDABRO C[C@@H]1CN(C(=S)Nc2ccccc2)[C@@H](C)C[N@@H+]1CCO ZINC000035333365 172131483 /nfs/dbraw/zinc/13/14/83/172131483.db2.gz NXZQMQODJDGJBC-OLZOCXBDSA-N 1 0 293.436 1.770 40 0 CDABRO O=C(c1cccc(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236596 172534343 /nfs/dbraw/zinc/53/43/43/172534343.db2.gz XOWSCTCKZIEUTN-CMPLNLGQSA-N 1 0 250.729 1.774 40 0 CDABRO C[NH+]1CCC(CNC(=O)NCc2cccs2)CC1 ZINC000038489537 174142697 /nfs/dbraw/zinc/14/26/97/174142697.db2.gz HDJIMFOYUPTYEO-UHFFFAOYSA-N 1 0 267.398 1.889 40 0 CDABRO C[NH+](C)CCNC(=O)CCc1ccc(Cl)cc1 ZINC000053754449 175550869 /nfs/dbraw/zinc/55/08/69/175550869.db2.gz OECOJTUJBHBKQO-UHFFFAOYSA-N 1 0 254.761 1.950 40 0 CDABRO Cc1nnsc1C(=O)N1CCC[N@H+](CC2CC2)CC1 ZINC000072254211 176350856 /nfs/dbraw/zinc/35/08/56/176350856.db2.gz OWIKNPHSHQHLNY-UHFFFAOYSA-N 1 0 280.397 1.404 40 0 CDABRO CN(C(=O)COc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000072343432 176371439 /nfs/dbraw/zinc/37/14/39/176371439.db2.gz QRVULBRWOHHFPV-CYBMUJFWSA-N 1 0 262.353 1.666 40 0 CDABRO O=C(NC1CCCC1)c1cc([C@H]2CCCC[NH2+]2)[nH]n1 ZINC000072348360 176373075 /nfs/dbraw/zinc/37/30/75/176373075.db2.gz IZAWHIVIISOUDZ-LLVKDONJSA-N 1 0 262.357 1.897 40 0 CDABRO CCc1nccn1-c1nccnc1C1CC[NH2+]CC1 ZINC000072348378 176373170 /nfs/dbraw/zinc/37/31/70/176373170.db2.gz MKCPCSSTMBLECQ-UHFFFAOYSA-N 1 0 257.341 1.692 40 0 CDABRO CCNC(=O)c1cc(C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072369341 176384117 /nfs/dbraw/zinc/38/41/17/176384117.db2.gz PEKHDQRPUNSAAA-NSHDSACASA-N 1 0 262.357 1.344 40 0 CDABRO Cn1cc(C[NH+]2CC(c3[nH]nc4ncccc43)C2)cn1 ZINC000072385827 176390590 /nfs/dbraw/zinc/39/05/90/176390590.db2.gz ICUDJMRIIQWTDK-UHFFFAOYSA-N 1 0 268.324 1.291 40 0 CDABRO Cc1nc(NC[C@H]2CCCO2)nc2c1C[N@H+](C)CC2 ZINC000072415033 176399360 /nfs/dbraw/zinc/39/93/60/176399360.db2.gz ZQQLVEOONZGEMR-LLVKDONJSA-N 1 0 262.357 1.364 40 0 CDABRO C[C@@H](C(N)=O)[N@H+](C)CCc1ccc(Br)cc1 ZINC000078611033 177360100 /nfs/dbraw/zinc/36/01/00/177360100.db2.gz HQSMPCGVNBBRDV-VIFPVBQESA-N 1 0 285.185 1.797 40 0 CDABRO CCCNc1ncc(C[NH2+]Cc2cccnc2)cn1 ZINC000062717680 262302442 /nfs/dbraw/zinc/30/24/42/262302442.db2.gz HVGFHIXASJOQSG-UHFFFAOYSA-N 1 0 257.341 1.983 40 0 CDABRO c1cncc(OC[C@H]2COCCC23CC[NH2+]CC3)c1 ZINC000306131260 275073948 /nfs/dbraw/zinc/07/39/48/275073948.db2.gz JZJYOVYDUYBAKF-CYBMUJFWSA-N 1 0 262.353 1.867 40 0 CDABRO CC[N@@H+]1CCO[C@@H]2CN(C(=O)C3CCSCC3)C[C@@H]2C1 ZINC000096107964 276391117 /nfs/dbraw/zinc/39/11/17/276391117.db2.gz NKUWNAHFGIPVFM-UONOGXRCSA-N 1 0 298.452 1.309 40 0 CDABRO CC(C)CCN1[C@]2(CC[NH2+]C2)c2ccccc2S1(=O)=O ZINC000107489120 277354959 /nfs/dbraw/zinc/35/49/59/277354959.db2.gz RGTPKAAZLWEQOU-HNNXBMFYSA-N 1 0 294.420 1.926 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)C1CCN(CC[NH3+])CC1 ZINC000079408618 278377085 /nfs/dbraw/zinc/37/70/85/278377085.db2.gz CGQNGAQKJMTTQU-UHFFFAOYSA-N 1 0 283.416 1.809 40 0 CDABRO C[C@]12CCC[NH2+][C@@H]1CCCN2C(=O)c1ccccn1 ZINC000257236964 280176591 /nfs/dbraw/zinc/17/65/91/280176591.db2.gz HEPQBAOOYIIJAV-HIFRSBDPSA-N 1 0 259.353 1.828 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391226 289762670 /nfs/dbraw/zinc/76/26/70/289762670.db2.gz ZBQJGAKWEWGQMJ-JTQLQIEISA-N 1 0 285.388 1.192 40 0 CDABRO c1cc(CN2CC[NH2+][C@H]3CCC[C@H]32)cc2c1OCO2 ZINC000218841420 333137087 /nfs/dbraw/zinc/13/70/87/333137087.db2.gz FRIDUMUUNIPKER-QWHCGFSZSA-N 1 0 260.337 1.742 40 0 CDABRO C[NH+](C)[C@@H]1COC[C@H]1Oc1ncccc1C(F)(F)F ZINC000585655241 1160096692 /nfs/dbraw/zinc/09/66/92/1160096692.db2.gz YNUVPMRUSIGQQU-NXEZZACHSA-N 1 0 276.258 1.808 40 0 CDABRO COC(=O)[C@@H]1C[C@H]([NH+](C)C)CN1C(=O)OC(C)(C)C ZINC000078460109 1172561525 /nfs/dbraw/zinc/56/15/25/1172561525.db2.gz SMLZXOORJOZFSC-UWVGGRQHSA-N 1 0 272.345 1.099 40 0 CDABRO Fc1ccccc1Cn1cnnc1C1CC[NH2+]CC1 ZINC000082569459 178103796 /nfs/dbraw/zinc/10/37/96/178103796.db2.gz WBHGINCDZYQIMJ-UHFFFAOYSA-N 1 0 260.316 1.933 40 0 CDABRO CN1CCC2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000096046714 185071687 /nfs/dbraw/zinc/07/16/87/185071687.db2.gz PDPNVKMBFMQYOX-UHFFFAOYSA-N 1 0 259.353 1.526 40 0 CDABRO Cc1nnc([C@H]2C[C@@H]3CC[N@H+](Cc4cccnc4)C[C@H]3O2)[nH]1 ZINC000096046204 185071831 /nfs/dbraw/zinc/07/18/31/185071831.db2.gz WGZNBQCNVHNYKM-RRFJBIMHSA-N 1 0 299.378 1.860 40 0 CDABRO CN(C)C(=O)[C@H]1C[C@@]2(CO1)CCC[N@H+](Cc1ccco1)C2 ZINC000096048879 185072857 /nfs/dbraw/zinc/07/28/57/185072857.db2.gz DWKSADKZWDYAEX-ZBFHGGJFSA-N 1 0 292.379 1.739 40 0 CDABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccnnc1 ZINC000096055785 185075480 /nfs/dbraw/zinc/07/54/80/185075480.db2.gz BYTPYNQALPKLSN-UONOGXRCSA-N 1 0 274.368 1.421 40 0 CDABRO O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC000096055826 185076731 /nfs/dbraw/zinc/07/67/31/185076731.db2.gz GEKQVFSDEGUEDH-OLZOCXBDSA-N 1 0 270.398 1.037 40 0 CDABRO O[C@H]1CC[N@H+](Cc2ccncc2)[C@H]1Cc1cccnc1 ZINC000096061637 185083010 /nfs/dbraw/zinc/08/30/10/185083010.db2.gz KRYXOFLSEHCEET-HOTGVXAUSA-N 1 0 269.348 1.655 40 0 CDABRO CC[NH+](CC)C[C@H]1CN(C(=O)CSC)Cc2ccnn21 ZINC000585095378 342211388 /nfs/dbraw/zinc/21/13/88/342211388.db2.gz SPQUWSNEFMFDML-ZDUSSCGKSA-N 1 0 296.440 1.471 40 0 CDABRO CC[N@@H+]1CCO[C@@H]2CN(C(=O)C3(F)CCC3)CC[C@@H]2C1 ZINC000585107890 342213249 /nfs/dbraw/zinc/21/32/49/342213249.db2.gz BDFCNYKOZPUHPY-CHWSQXEVSA-N 1 0 284.375 1.448 40 0 CDABRO COc1cccc([C@@H](CO)[NH+]2CCCC2)c1OC ZINC000070453273 361970982 /nfs/dbraw/zinc/97/09/82/361970982.db2.gz ZPAOHEAMKXZJSP-GFCCVEGCSA-N 1 0 251.326 1.833 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000158161764 342228111 /nfs/dbraw/zinc/22/81/11/342228111.db2.gz DKNDZVLRTNWHBR-NSHDSACASA-N 1 0 280.343 1.681 40 0 CDABRO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@@H+]1C ZINC000585180140 342232599 /nfs/dbraw/zinc/23/25/99/342232599.db2.gz LYEKQFXKCBKZEO-LBPRGKRZSA-N 1 0 287.367 1.588 40 0 CDABRO Cc1cccc(OC[C@]2(O)COCC[N@@H+](C(C)C)C2)c1 ZINC000585269110 342254572 /nfs/dbraw/zinc/25/45/72/342254572.db2.gz KDIZVAKGTCESJY-MRXNPFEDSA-N 1 0 279.380 1.846 40 0 CDABRO COCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585285406 342258585 /nfs/dbraw/zinc/25/85/85/342258585.db2.gz PBVZHPQDHUZYKP-RRFJBIMHSA-N 1 0 283.343 1.723 40 0 CDABRO CC(C)C[C@@H](C(=O)[O-])[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000629487263 362101524 /nfs/dbraw/zinc/10/15/24/362101524.db2.gz AIDKOOWAPGDJJH-ZDUSSCGKSA-N 1 0 256.390 1.948 40 0 CDABRO COC[C@H]1CCC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000079090936 362138990 /nfs/dbraw/zinc/13/89/90/362138990.db2.gz XNCWSQMXYLXBBQ-LBPRGKRZSA-N 1 0 282.409 1.723 40 0 CDABRO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(C)on2)n1 ZINC000257238538 362579553 /nfs/dbraw/zinc/57/95/53/362579553.db2.gz HLMJKIMVPJBPKD-NSHDSACASA-N 1 0 276.296 1.228 40 0 CDABRO CCC(=O)N1CCC[C@H]1c1nc(C[NH2+]C)cc(NC)n1 ZINC000019759261 345470546 /nfs/dbraw/zinc/47/05/46/345470546.db2.gz GZAKPFSTERPMSF-NSHDSACASA-N 1 0 277.372 1.311 40 0 CDABRO Cc1ccc(C)c(Cn2cnc3c(cnn3CC[NH3+])c2=O)c1 ZINC000085398353 179050326 /nfs/dbraw/zinc/05/03/26/179050326.db2.gz BWHRGEPIOJHVMR-UHFFFAOYSA-N 1 0 297.362 1.217 40 0 CDABRO Cn1cc(CN2CCCC[C@@H]2CC[NH+](C)C)cn1 ZINC000205697668 348743998 /nfs/dbraw/zinc/74/39/98/348743998.db2.gz RYFIFVVTBLSBBL-CQSZACIVSA-N 1 0 250.390 1.726 40 0 CDABRO Cc1ccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)s1 ZINC000205682868 348744198 /nfs/dbraw/zinc/74/41/98/348744198.db2.gz VMKFHOQFYUOYFG-ZDUSSCGKSA-N 1 0 268.382 1.195 40 0 CDABRO CN(C)C(=O)[C@H]1C[N@H+](C[C@H]2CC=CCC2)[C@@H]2CCO[C@@H]21 ZINC000108529427 186222128 /nfs/dbraw/zinc/22/21/28/186222128.db2.gz VEOOARSKWGVIAZ-BYNSBNAKSA-N 1 0 278.396 1.520 40 0 CDABRO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000333606547 363055642 /nfs/dbraw/zinc/05/56/42/363055642.db2.gz VZLKVUHNEMVYLH-MBNYWOFBSA-N 1 0 274.364 1.524 40 0 CDABRO COc1ccc(C[C@@H](C)CN(C)C(=O)[C@@H](C)[NH3+])cc1 ZINC000158072360 188355357 /nfs/dbraw/zinc/35/53/57/188355357.db2.gz OJNXTMLMAPIJER-VXGBXAGGSA-N 1 0 264.369 1.679 40 0 CDABRO Ic1cccc2c1CC[NH2+]C2 ZINC000016082962 283041174 /nfs/dbraw/zinc/04/11/74/283041174.db2.gz DQGWRQLZWSUIDO-UHFFFAOYSA-N 1 0 259.090 1.937 40 0 CDABRO CC[NH+](CC)CCOC(=O)c1cc(N)cc(N)c1 ZINC000001669880 355946345 /nfs/dbraw/zinc/94/63/45/355946345.db2.gz GAJMTQVCEKEYRG-UHFFFAOYSA-N 1 0 251.330 1.350 40 0 CDABRO CC[C@@H](O)[C@](CC[NH+](C)C)(C(=O)N(C)C)c1ccccc1 ZINC000001717955 355949653 /nfs/dbraw/zinc/94/96/53/355949653.db2.gz WYRJVVKSPJCNHZ-NVXWUHKLSA-N 1 0 292.423 1.735 40 0 CDABRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC000019527289 356490833 /nfs/dbraw/zinc/49/08/33/356490833.db2.gz CHGXFUTUWXSWOM-LBPRGKRZSA-N 1 0 276.384 1.891 40 0 CDABRO Cc1nn(C)cc1C[N@@H+]1CC[C@H](C(=O)NC2CCCC2)C1 ZINC000019747829 356499565 /nfs/dbraw/zinc/49/95/65/356499565.db2.gz XDBBLMJVEAPQEX-ZDUSSCGKSA-N 1 0 290.411 1.609 40 0 CDABRO Cn1cc([C@H]2C[N@H+](Cc3nccs3)C[C@@H]2C(N)=O)cn1 ZINC000329030454 202158865 /nfs/dbraw/zinc/15/88/65/202158865.db2.gz PMBZCYPPUDNMMQ-MNOVXSKESA-N 1 0 291.380 1.627 40 0 CDABRO COC[C@H](O)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000031666617 356767583 /nfs/dbraw/zinc/76/75/83/356767583.db2.gz LGGVZZAMPTWNBW-OAHLLOKOSA-N 1 0 264.369 1.124 40 0 CDABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391281 356988041 /nfs/dbraw/zinc/98/80/41/356988041.db2.gz DNZUMHRVRWWGMX-RYUDHWBXSA-N 1 0 299.415 1.580 40 0 CDABRO C[N@H+](CCO)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391641 356988258 /nfs/dbraw/zinc/98/82/58/356988258.db2.gz LIJSBXINQWNNDR-HNNXBMFYSA-N 1 0 292.379 1.712 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@H]1CCCN1C(=O)C[NH3+])C1CC1 ZINC000079409356 356992575 /nfs/dbraw/zinc/99/25/75/356992575.db2.gz GYKITJIYJNGCIM-GFCCVEGCSA-N 1 0 297.399 1.336 40 0 CDABRO CCOc1cc(O[C@H]2CC[NH2+]C2)nc(SC)n1 ZINC000079439795 356996121 /nfs/dbraw/zinc/99/61/21/356996121.db2.gz MSFZXDNOQCSVBO-QMMMGPOBSA-N 1 0 255.343 1.338 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cncs1)C(C)C ZINC000079422179 356996510 /nfs/dbraw/zinc/99/65/10/356996510.db2.gz SXFINVOFSUTFQE-NSHDSACASA-N 1 0 255.387 1.863 40 0 CDABRO CC[NH+](CC)Cn1cnc2c1ncnc2SC ZINC000020076577 358321689 /nfs/dbraw/zinc/32/16/89/358321689.db2.gz FSOZDRLIXHSVIJ-UHFFFAOYSA-N 1 0 251.359 1.848 40 0 CDABRO c1coc(CN2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)c1 ZINC000096054425 358707430 /nfs/dbraw/zinc/70/74/30/358707430.db2.gz MGRBVCJZKGCFIM-KGLIPLIRSA-N 1 0 286.335 1.159 40 0 CDABRO COC[C@H]1Cn2ccnc2C[N@H+](CC2CCOCC2)C1 ZINC000096059106 358707466 /nfs/dbraw/zinc/70/74/66/358707466.db2.gz IVCVEMHAXISAOH-CQSZACIVSA-N 1 0 279.384 1.388 40 0 CDABRO Cc1occc1C(=O)N1CCC2(C[C@@H]([NH+](C)C)CO2)CC1 ZINC000096158622 358710167 /nfs/dbraw/zinc/71/01/67/358710167.db2.gz VGXKPOQGLRVFEU-CYBMUJFWSA-N 1 0 292.379 1.913 40 0 CDABRO C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161628 358711251 /nfs/dbraw/zinc/71/12/51/358711251.db2.gz XBCJMRRVTVSQLB-AYDFFVQHSA-N 1 0 285.391 1.628 40 0 CDABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2C[C@@H]2CCOC2)N1c1ccsc1 ZINC000096184149 358713361 /nfs/dbraw/zinc/71/33/61/358713361.db2.gz YTPHLRILXYOMSB-YUTCNCBUSA-N 1 0 292.404 1.964 40 0 CDABRO COCC[N@@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC000096198979 358717543 /nfs/dbraw/zinc/71/75/43/358717543.db2.gz JMTODIXSWRGGJZ-UHFFFAOYSA-N 1 0 298.390 1.945 40 0 CDABRO O=C(C[C@H]1OC[C@H]2C[N@@H+](C3CCC3)CC[C@@H]12)N1CCCC1 ZINC000096206463 358719954 /nfs/dbraw/zinc/71/99/54/358719954.db2.gz ZSWGPITWVOLWCM-FVQBIDKESA-N 1 0 292.423 1.888 40 0 CDABRO O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)NCc1cccs1 ZINC000096207754 358720255 /nfs/dbraw/zinc/72/02/55/358720255.db2.gz UVQWHSBMELJAOY-HOSYDEDBSA-N 1 0 266.366 1.131 40 0 CDABRO COc1ccc(C[NH+]2CCC3(CC2)COCCN3C)cn1 ZINC000096226152 358723372 /nfs/dbraw/zinc/72/33/72/358723372.db2.gz OPCYCZSUSACCGR-UHFFFAOYSA-N 1 0 291.395 1.387 40 0 CDABRO O=C1[C@H]2C[N@H+](CC3CC3)C[C@H]2CN1c1cccnc1 ZINC000096245166 358724490 /nfs/dbraw/zinc/72/44/90/358724490.db2.gz VXIBUQLMGVIFIS-JSGCOSHPSA-N 1 0 257.337 1.386 40 0 CDABRO O=C1[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2CN1Cc1cccnc1 ZINC000096245074 358724736 /nfs/dbraw/zinc/72/47/36/358724736.db2.gz ZIYKRVCWFOWSOY-HOTGVXAUSA-N 1 0 297.358 1.765 40 0 CDABRO CN(C)c1ncc2c(n1)[C@@]1(CC[N@H+](CC3CC3)C1)COC2 ZINC000096244020 358724922 /nfs/dbraw/zinc/72/49/22/358724922.db2.gz FJBXXAKOQRGVSI-MRXNPFEDSA-N 1 0 288.395 1.426 40 0 CDABRO CC(C)C[N@@H+]1C[C@H]2C[C@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000096253366 358727695 /nfs/dbraw/zinc/72/76/95/358727695.db2.gz VKBXFEDQHZJTOT-QLFBSQMISA-N 1 0 289.379 1.765 40 0 CDABRO OC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000062999357 359077461 /nfs/dbraw/zinc/07/74/61/359077461.db2.gz NGHBNCMAOQCBFS-OAHLLOKOSA-N 1 0 277.364 1.995 40 0 CDABRO CN(C)c1ccccc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000075714741 359943205 /nfs/dbraw/zinc/94/32/05/359943205.db2.gz WONLKTGALONBHO-AWEZNQCLSA-N 1 0 275.396 1.983 40 0 CDABRO COC(=O)CCN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000078664817 283798711 /nfs/dbraw/zinc/79/87/11/283798711.db2.gz KRVBBOJRQBMPNT-AWEZNQCLSA-N 1 0 268.401 1.890 40 0 CDABRO c1ccc2nc(N3CC[NH2+]CC3)c(NC3CC3)nc2c1 ZINC000044029868 367279075 /nfs/dbraw/zinc/27/90/75/367279075.db2.gz QEIYOANJSXZMMR-UHFFFAOYSA-N 1 0 269.352 1.614 40 0 CDABRO COCc1noc([C@H](C)N2CC[N@@H+](C3CC3)C[C@H](C)C2)n1 ZINC000333449450 205329747 /nfs/dbraw/zinc/32/97/47/205329747.db2.gz RKEPFNQLFHPMRT-NEPJUHHUSA-N 1 0 294.399 1.693 40 0 CDABRO Cn1nc(C(=O)NCCC[NH+](C)C)cc1C(F)(F)F ZINC000002779599 373210888 /nfs/dbraw/zinc/21/08/88/373210888.db2.gz KNRDCRZHSWNYCS-UHFFFAOYSA-N 1 0 278.278 1.120 40 0 CDABRO Cc1nnc([C@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000049169223 373981901 /nfs/dbraw/zinc/98/19/01/373981901.db2.gz JXYUECPMMMGEBJ-NSHDSACASA-N 1 0 250.346 1.262 40 0 biogenic,in-vitro CDABRO CN(C)C(=O)C(C)(C)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000079311406 374272494 /nfs/dbraw/zinc/27/24/94/374272494.db2.gz MELOUVJEMZYUSL-LBPRGKRZSA-N 1 0 286.322 1.455 40 0 CDABRO COC(CN1CCC([N@@H+]2CCC[C@H]2C)CC1)OC ZINC000225450917 374427703 /nfs/dbraw/zinc/42/77/03/374427703.db2.gz VPPVVQFHXYOCGE-GFCCVEGCSA-N 1 0 256.390 1.554 40 0 CDABRO [NH3+]CCNS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000225477510 374483964 /nfs/dbraw/zinc/48/39/64/374483964.db2.gz KPIHQYPRJADZIC-UHFFFAOYSA-N 1 0 290.797 1.792 40 0 CDABRO CC(C)CCOCC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000079355219 374795770 /nfs/dbraw/zinc/79/57/70/374795770.db2.gz KGMBOMOHSGPTHB-CQSZACIVSA-N 1 0 283.416 1.539 40 0 CDABRO Cc1nn(C2CCCC2)cc1C[NH2+]CCN1CCOCC1 ZINC000256049572 190002128 /nfs/dbraw/zinc/00/21/28/190002128.db2.gz AMGVWPZPBGDNJJ-UHFFFAOYSA-N 1 0 292.427 1.728 40 0 CDABRO Cc1ccc(-c2ccc3nnc(CC[NH3+])n3n2)cc1 ZINC000058021728 375637302 /nfs/dbraw/zinc/63/73/02/375637302.db2.gz WPLPFVPNFFWQKQ-UHFFFAOYSA-N 1 0 253.309 1.601 40 0 CDABRO CNc1cc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)ccn1 ZINC000257206197 190011618 /nfs/dbraw/zinc/01/16/18/190011618.db2.gz BCGQIAXBMAVGFI-ZDUSSCGKSA-N 1 0 276.384 1.391 40 0 CDABRO Cc1cc2cc(C(=O)N3C[C@@H](O)[C@H]([NH+](C)C)C3)ccc2o1 ZINC000257208333 190012288 /nfs/dbraw/zinc/01/22/88/190012288.db2.gz BLSPYKCXZJUQFG-ZIAGYGMSSA-N 1 0 288.347 1.488 40 0 CDABRO Cn1ccnc1-c1cc(C[C@H]2CCC[NH2+]C2)ncn1 ZINC000257228984 190016515 /nfs/dbraw/zinc/01/65/15/190016515.db2.gz FWCFRQWUIUXRGP-LLVKDONJSA-N 1 0 257.341 1.419 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2cccs2)C1 ZINC000257240478 190018599 /nfs/dbraw/zinc/01/85/99/190018599.db2.gz HTRKNVNTDLUFKI-AWEZNQCLSA-N 1 0 282.409 1.206 40 0 CDABRO CCCS(=O)(=O)N1CC[C@@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257247054 190019499 /nfs/dbraw/zinc/01/94/99/190019499.db2.gz IXEUEOQJKSCDLJ-GFCCVEGCSA-N 1 0 297.424 1.961 40 0 CDABRO Cc1c[nH]c([C@@H]2CCC[N@H+](CC3(O)CCOCC3)C2)n1 ZINC000257264973 190022850 /nfs/dbraw/zinc/02/28/50/190022850.db2.gz LWUIVDZUMXJFIA-CYBMUJFWSA-N 1 0 279.384 1.439 40 0 CDABRO CCOC[C@@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217990307 375771856 /nfs/dbraw/zinc/77/18/56/375771856.db2.gz DAQSKKYMPSSIME-KGLIPLIRSA-N 1 0 283.393 1.523 40 0 CDABRO CNC(=O)CCc1cc([C@@H]2CCCC[N@@H+]2C)nc(C)n1 ZINC000257280381 190025636 /nfs/dbraw/zinc/02/56/36/190025636.db2.gz OKPWHHIPXPQYQJ-AWEZNQCLSA-N 1 0 276.384 1.620 40 0 CDABRO Cc1cc(Nc2ncc(F)c(C[C@@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000257282464 190026449 /nfs/dbraw/zinc/02/64/49/190026449.db2.gz OTVRSKYBXXADLR-JTQLQIEISA-N 1 0 290.346 1.933 40 0 CDABRO CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000257274629 190024991 /nfs/dbraw/zinc/02/49/91/190024991.db2.gz NLXYJVHTTCTECM-ZDUSSCGKSA-N 1 0 291.399 1.336 40 0 CDABRO Cc1ccnc([C@@H]2CC[N@H+](CC3(O)CCOCC3)C2)n1 ZINC000257299134 190029316 /nfs/dbraw/zinc/02/93/16/190029316.db2.gz ROVZHXDGBVKAMS-CYBMUJFWSA-N 1 0 277.368 1.116 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@H]1C[NH3+] ZINC000218618497 375862587 /nfs/dbraw/zinc/86/25/87/375862587.db2.gz XVEKETYUKFVLJG-GRYCIOLGSA-N 1 0 257.330 1.301 40 0 CDABRO CCc1nnc(CN2CCC[C@@H](c3nncn3CC)C2)o1 ZINC000328604757 375890315 /nfs/dbraw/zinc/89/03/15/375890315.db2.gz IXCHJAUMKXGXCH-LLVKDONJSA-N 1 0 290.371 1.623 40 0 CDABRO Cc1c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cnn1C ZINC000257336607 190036697 /nfs/dbraw/zinc/03/66/97/190036697.db2.gz YPEUMEWRLKIDQB-CYBMUJFWSA-N 1 0 271.368 1.898 40 0 CDABRO O=C(c1cccs1)N1CCC2(C1)CC[NH2+]CC2 ZINC000257721028 190038439 /nfs/dbraw/zinc/03/84/39/190038439.db2.gz VNSNSHZLIOCMGY-UHFFFAOYSA-N 1 0 250.367 1.964 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccnc1OC ZINC000039335852 377465971 /nfs/dbraw/zinc/46/59/71/377465971.db2.gz HKJIKRVMMOKAKM-LLVKDONJSA-N 1 0 263.341 1.304 40 0 CDABRO O=C(c1nc2c(s1)CC[NH2+]CC2)N1CCCCC1 ZINC000096146997 296303018 /nfs/dbraw/zinc/30/30/18/296303018.db2.gz YGPUKIOCTLGRBB-UHFFFAOYSA-N 1 0 265.382 1.457 40 0 CDABRO COCCN1CCC2(CC[NH+](CC3CC3)CC2)C1=O ZINC000096046801 285014200 /nfs/dbraw/zinc/01/42/00/285014200.db2.gz MQHWVEMDCDPUTI-UHFFFAOYSA-N 1 0 266.385 1.357 40 0 CDABRO O=C1c2ccccc2C2=C1N(O)[C@@H]1CCCC[C@@H]1[N+]2=O ZINC000100668692 285024430 /nfs/dbraw/zinc/02/44/30/285024430.db2.gz CSPAZJUKGODKGZ-NWDGAFQWSA-N 1 0 270.288 1.458 40 0 CDABRO COc1ccc(O[C@H](C)C(=O)NCC[NH+](C)C)cc1 ZINC000010111698 533031210 /nfs/dbraw/zinc/03/12/10/533031210.db2.gz QTJGZUSXMDSQDO-LLVKDONJSA-N 1 0 266.341 1.140 40 0 CDABRO [NH3+]C[C@H](O)COCc1ccc(Cl)cc1Cl ZINC000095096238 184943210 /nfs/dbraw/zinc/94/32/10/184943210.db2.gz IZVTZAPIEBVXMG-VIFPVBQESA-N 1 0 250.125 1.830 40 0 CDABRO CCS(=O)(=O)C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000096524747 390539931 /nfs/dbraw/zinc/53/99/31/390539931.db2.gz MZTCQHNWSRGLBA-JTQLQIEISA-N 1 0 292.198 1.884 40 0 CDABRO C[NH2+]Cc1nnc2ccc(-c3cccc(F)c3)nn21 ZINC000096530164 390542116 /nfs/dbraw/zinc/54/21/16/390542116.db2.gz BJRPHUDDBKFJQN-UHFFFAOYSA-N 1 0 257.272 1.650 40 0 CDABRO NNc1[nH+]cnc2c1cnn2-c1ccc(F)c(Cl)c1 ZINC000085398069 390640591 /nfs/dbraw/zinc/64/05/91/390640591.db2.gz UKCZQODXHVDPBA-UHFFFAOYSA-N 1 0 278.678 1.894 40 0 CDABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O ZINC000242548277 390862396 /nfs/dbraw/zinc/86/23/96/390862396.db2.gz LHCVXGXKSRWKQN-BFHYXJOUSA-N 1 0 283.393 1.097 40 0 CDABRO COC(=O)[C@@H]1C[NH2+][C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1 ZINC000079097889 390819863 /nfs/dbraw/zinc/81/98/63/390819863.db2.gz ORIBUSCBDFDAIQ-ZKYQVNSYSA-N 1 0 270.332 1.959 40 0 CDABRO CC[C@H](CO)[NH+]1CCN(CCC(F)(F)F)CC1 ZINC000075961323 390946073 /nfs/dbraw/zinc/94/60/73/390946073.db2.gz FZDXZKXLZIBLRD-SNVBAGLBSA-N 1 0 254.296 1.327 40 0 CDABRO S=C(NC1CC1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225214173 285408602 /nfs/dbraw/zinc/40/86/02/285408602.db2.gz PZVYCYNPLIJFGS-UHFFFAOYSA-N 1 0 283.441 1.256 40 0 CDABRO COc1ccccc1NC(=O)CCN1CC[NH+](C)CC1 ZINC000019590030 391324345 /nfs/dbraw/zinc/32/43/45/391324345.db2.gz RJIUTXJLYMTQDB-UHFFFAOYSA-N 1 0 277.368 1.271 40 0 CDABRO CN1CC[N@@H+](C2CCCCCC2)C[C@H](C(N)=O)C1 ZINC000257235598 391647899 /nfs/dbraw/zinc/64/78/99/391647899.db2.gz GYNOLDOREJSBJV-GFCCVEGCSA-N 1 0 253.390 1.058 40 0 CDABRO CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000092745396 286608923 /nfs/dbraw/zinc/60/89/23/286608923.db2.gz MZVJHTPKRWYCOF-RKQHYHRCSA-N 1 0 271.426 1.835 40 0 CDABRO COC(=O)[C@@H]1C(=O)C[C@H]2[N@@H+](C)[C@@H]1C(C)(C)C2(C)C ZINC000005217828 170077119 /nfs/dbraw/zinc/07/71/19/170077119.db2.gz ZBUSBQXKKWHUNU-MXWKQRLJSA-N 1 0 253.342 1.483 40 0 CDABRO C[NH2+]CCCNCc1ccc(OC)c(OC)c1OC ZINC000008377078 170333825 /nfs/dbraw/zinc/33/38/25/170333825.db2.gz RVRFBNZLCSAPRO-UHFFFAOYSA-N 1 0 268.357 1.412 40 0 CDABRO CC[NH+]1CCN(C[C@@H](O)CO[C@H]2CCC[C@@H]2C)CC1 ZINC000020707537 171269900 /nfs/dbraw/zinc/26/99/00/171269900.db2.gz HOQJEEHSQKXMCX-ZNMIVQPWSA-N 1 0 270.417 1.190 40 0 CDABRO Cc1ccc(CC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000022521884 171389747 /nfs/dbraw/zinc/38/97/47/171389747.db2.gz UAOSGRGWXUGBJZ-UHFFFAOYSA-N 1 0 289.423 1.291 40 0 CDABRO CCc1nccn1-c1cncc(C2CC[NH2+]CC2)n1 ZINC000072355923 176375731 /nfs/dbraw/zinc/37/57/31/176375731.db2.gz RKVWRNCEVSABFX-UHFFFAOYSA-N 1 0 257.341 1.692 40 0 CDABRO COCCN(C)C(=O)c1ccnc(C2CC[NH2+]CC2)c1 ZINC000072387060 176392596 /nfs/dbraw/zinc/39/25/96/176392596.db2.gz PVHJGGMMYGTDPZ-UHFFFAOYSA-N 1 0 277.368 1.267 40 0 CDABRO NC(=[NH2+])[C@@H]1CN(CCc2c[nH]c3ccccc23)C(=O)NC1=O ZINC000073274206 176464602 /nfs/dbraw/zinc/46/46/02/176464602.db2.gz VVXLBKKVKLHDQU-NSHDSACASA-N 1 0 299.334 1.655 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCN(CC[NH3+])C1 ZINC000079408409 177481132 /nfs/dbraw/zinc/48/11/32/177481132.db2.gz FJOPYTXBOGFHFH-NSHDSACASA-N 1 0 257.378 1.276 40 0 CDABRO COc1ccc(CN2C(=O)CCC23CC[NH2+]CC3)cc1 ZINC000096228279 265336334 /nfs/dbraw/zinc/33/63/34/265336334.db2.gz DZBPVMLMWKZHNX-UHFFFAOYSA-N 1 0 274.364 1.940 40 0 CDABRO CNC(=O)C[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096241883 265345848 /nfs/dbraw/zinc/34/58/48/265345848.db2.gz KWTPNSOQORBQSD-GFCCVEGCSA-N 1 0 258.365 1.931 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@@H](COCC[NH3+])C1 ZINC000079390637 277183880 /nfs/dbraw/zinc/18/38/80/277183880.db2.gz KTVZNDKQDBXSOR-LLVKDONJSA-N 1 0 258.362 1.609 40 0 CDABRO CC(=O)N(C(C)C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000079417734 277956361 /nfs/dbraw/zinc/95/63/61/277956361.db2.gz CDMZWCASOCCJIS-UHTWSYAYSA-N 1 0 269.389 1.018 40 0 CDABRO C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1csnn1 ZINC000334006007 278320713 /nfs/dbraw/zinc/32/07/13/278320713.db2.gz UCTLGZWWHKPGPF-SNVBAGLBSA-N 1 0 294.424 1.980 40 0 CDABRO CCNc1ncc(C[NH2+]CCCN2CCCC2=O)cn1 ZINC000062717577 327914861 /nfs/dbraw/zinc/91/48/61/327914861.db2.gz RRCZHICEDNLAKH-UHFFFAOYSA-N 1 0 277.372 1.011 40 0 CDABRO Cc1cccc(C(C)C)c1N1CC[C@H](C[NH3+])S1(=O)=O ZINC000260763049 328066729 /nfs/dbraw/zinc/06/67/29/328066729.db2.gz IFXHXEJYWMKXHF-GFCCVEGCSA-N 1 0 282.409 1.986 40 0 CDABRO C[C@@H](CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000248179064 334296800 /nfs/dbraw/zinc/29/68/00/334296800.db2.gz XNDXTISCGFIKDH-HDEZJCGLSA-N 1 0 274.408 1.929 40 0 CDABRO c1cc(CN2CC[NH2+][C@H]3CCC[C@@H]32)cc2c1OCO2 ZINC000225715652 333182232 /nfs/dbraw/zinc/18/22/32/333182232.db2.gz FRIDUMUUNIPKER-STQMWFEESA-N 1 0 260.337 1.742 40 0 CDABRO COc1ccccc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000199857854 482946252 /nfs/dbraw/zinc/94/62/52/482946252.db2.gz PTVOCOVXAHRBLC-LBPRGKRZSA-N 1 0 298.408 1.314 40 0 CDABRO Cn1nccc1C[N@H+]1C[C@@H]2[C@@H](Cc3cnccn3)CC[C@@H]2C1 ZINC000257245191 570324356 /nfs/dbraw/zinc/32/43/56/570324356.db2.gz IOLUPZHMYNRIBN-CKEIUWERSA-N 1 0 297.406 1.911 40 0 CDABRO CCN1OC2(CC1=O)CC[NH+](Cc1cccnc1)CC2 ZINC001549166147 968052961 /nfs/dbraw/zinc/05/29/61/968052961.db2.gz AQYXPWGGBPMSTF-UHFFFAOYSA-N 1 0 275.352 1.600 40 0 CDABRO CO[C@@H](C[NH3+])C(=O)N1CCc2ccc(Cl)c(C)c2C1 ZINC001548449088 969510950 /nfs/dbraw/zinc/51/09/50/969510950.db2.gz RPNFFBLHSBASJA-ZDUSSCGKSA-N 1 0 282.771 1.507 40 0 CDABRO CN(C)CC[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000022588040 282105737 /nfs/dbraw/zinc/10/57/37/282105737.db2.gz YZSVAYINXVRVOL-UHFFFAOYSA-N 1 0 279.428 1.223 40 0 CDABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096039320 185069077 /nfs/dbraw/zinc/06/90/77/185069077.db2.gz WPFGANVDWNSCQZ-HOTGVXAUSA-N 1 0 293.411 1.828 40 0 CDABRO c1ncc(O[C@@H]2C[C@H]3C[N@H+](CC4CC4)CCN3C2)cn1 ZINC000096055017 185075774 /nfs/dbraw/zinc/07/57/74/185075774.db2.gz GIZHOTULGCNHQK-UONOGXRCSA-N 1 0 274.368 1.024 40 0 CDABRO c1cnc(OC[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3CC2CC2)nc1 ZINC000096055284 185076782 /nfs/dbraw/zinc/07/67/82/185076782.db2.gz JMZBQEXKEWXMMM-SOUVJXGZSA-N 1 0 289.379 1.745 40 0 CDABRO Cc1ccc(-c2ccc3nnc(C[NH3+])n3n2)cc1C ZINC000058021768 365606931 /nfs/dbraw/zinc/60/69/31/365606931.db2.gz QTYWRJPZBNFUBT-UHFFFAOYSA-N 1 0 253.309 1.867 40 0 CDABRO CC(C)NC(=O)N1CC2(C1)CC[N@H+](Cc1ccncc1)C2 ZINC000096070831 185086809 /nfs/dbraw/zinc/08/68/09/185086809.db2.gz ALXFEZTUEJNAFO-UHFFFAOYSA-N 1 0 288.395 1.707 40 0 CDABRO Cc1ccc(F)c(N2CCC(NC(=O)C[NH+](C)C)CC2)c1 ZINC000165849109 342084466 /nfs/dbraw/zinc/08/44/66/342084466.db2.gz MDLDAAOIUYXSAJ-UHFFFAOYSA-N 1 0 293.386 1.781 40 0 CDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)o1 ZINC000409422578 342168700 /nfs/dbraw/zinc/16/87/00/342168700.db2.gz IANRHYCDWDTKQD-NKWVEPMBSA-N 1 0 274.114 1.518 40 0 CDABRO CNC(=O)C[C@@H]1OC[C@H]2C[N@H+](CCC(C)C)CC[C@H]21 ZINC000585109460 342213413 /nfs/dbraw/zinc/21/34/13/342213413.db2.gz QVQRQSYKPFEJET-MCIONIFRSA-N 1 0 268.401 1.506 40 0 CDABRO Cc1ccccc1OC[C@@]1(O)CC[N@@H+](C2CCOCC2)C1 ZINC000585274647 342255951 /nfs/dbraw/zinc/25/59/51/342255951.db2.gz LSRIOJDADIJFNI-QGZVFWFLSA-N 1 0 291.391 1.990 40 0 CDABRO O=C1c2cccn2[C@@H]2C[NH2+]C[C@H]2N1Cc1cccs1 ZINC000306128604 201841898 /nfs/dbraw/zinc/84/18/98/201841898.db2.gz HGCDAORTRBAFIU-CHWSQXEVSA-N 1 0 273.361 1.719 40 0 CDABRO CC(C)(C)OC(=O)NCC1CC[NH+](CCCO)CC1 ZINC000095644191 348740710 /nfs/dbraw/zinc/74/07/10/348740710.db2.gz OECREXKAEBBFKS-UHFFFAOYSA-N 1 0 272.389 1.606 40 0 CDABRO CO[C@H]1CO[C@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1 ZINC000107225656 186163148 /nfs/dbraw/zinc/16/31/48/186163148.db2.gz FRKPEGTYIDCTHY-HUUCEWRRSA-N 1 0 262.353 1.770 40 0 CDABRO CCOc1cncc(C[NH2+][C@@H]2CCc3nnc(C)n3C2)c1 ZINC000621331513 350548306 /nfs/dbraw/zinc/54/83/06/350548306.db2.gz DFXULHPAACHPQS-CYBMUJFWSA-N 1 0 287.367 1.485 40 0 CDABRO CCCC[N@@H+]1C[C@H](C(=O)N2CCCCO2)[C@H]2OCC[C@H]21 ZINC000108526152 186220407 /nfs/dbraw/zinc/22/04/07/186220407.db2.gz JXPDPUFYGLJOGA-BFHYXJOUSA-N 1 0 282.384 1.430 40 0 CDABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1ccnnc1)CC2 ZINC000108526730 186221412 /nfs/dbraw/zinc/22/14/12/186221412.db2.gz XCZFYKTUOOQMLF-UHFFFAOYSA-N 1 0 274.368 1.423 40 0 CDABRO [NH3+]Cc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000004299069 356026132 /nfs/dbraw/zinc/02/61/32/356026132.db2.gz CZRPKCIAWIDQLI-UHFFFAOYSA-N 1 0 251.289 1.844 40 0 CDABRO CC[C@]1(C(=O)N2CCC[C@@H](COC)C2)CCC[NH2+]1 ZINC000134492808 356326902 /nfs/dbraw/zinc/32/69/02/356326902.db2.gz QHHGDGJVCHQNRW-TZMCWYRMSA-N 1 0 254.374 1.404 40 0 CDABRO COCc1ccc(OC)c(C[NH2+][C@H]2CCCNC2=O)c1 ZINC000019594376 356493370 /nfs/dbraw/zinc/49/33/70/356493370.db2.gz WTXMFKZGWNITCZ-ZDUSSCGKSA-N 1 0 278.352 1.210 40 0 CDABRO Cc1noc(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000019719218 356496615 /nfs/dbraw/zinc/49/66/15/356496615.db2.gz XYCLPIJVSHLOCV-ZDUSSCGKSA-N 1 0 292.383 1.397 40 0 CDABRO Cc1cc(C)nc(CNC(=O)CC2CC[NH2+]CC2)n1 ZINC000019746227 356499032 /nfs/dbraw/zinc/49/90/32/356499032.db2.gz SQHCJZLNXSRTPE-UHFFFAOYSA-N 1 0 262.357 1.099 40 0 CDABRO CN(CC[NH3+])C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390948 356988391 /nfs/dbraw/zinc/98/83/91/356988391.db2.gz VSPOAVKPQJAZCV-OAHLLOKOSA-N 1 0 291.395 1.536 40 0 CDABRO CN(C(=O)C[NH3+])[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079390834 356988710 /nfs/dbraw/zinc/98/87/10/356988710.db2.gz LADUAHKPGKUSMG-MNOVXSKESA-N 1 0 285.388 1.239 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC[NH3+])C1 ZINC000079408452 356992727 /nfs/dbraw/zinc/99/27/27/356992727.db2.gz HAMAGCUUVOROMQ-LBPRGKRZSA-N 1 0 271.405 1.667 40 0 CDABRO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN1CCO ZINC000079414184 356993354 /nfs/dbraw/zinc/99/33/54/356993354.db2.gz NOEBHQIMRBNKGG-MRXNPFEDSA-N 1 0 262.397 1.965 40 0 CDABRO [NH3+]CC(=O)N(Cc1ccc(Br)nc1)C1CC1 ZINC000079421528 358069716 /nfs/dbraw/zinc/06/97/16/358069716.db2.gz NIGBBHYKTSEDGC-UHFFFAOYSA-N 1 0 284.157 1.294 40 0 CDABRO O=C(Nc1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000019597517 358106798 /nfs/dbraw/zinc/10/67/98/358106798.db2.gz HMIIGUIJBMHBNN-UHFFFAOYSA-N 1 0 283.759 1.482 40 0 CDABRO Cc1csc(C(C)(C)[NH2+]CCN2CCCC2=O)n1 ZINC000072663034 358543283 /nfs/dbraw/zinc/54/32/83/358543283.db2.gz WABXATVEHKWHAK-UHFFFAOYSA-N 1 0 267.398 1.899 40 0 CDABRO CC[NH+](CC)[C@@H]1CN(Cc2nccn2C)[C@@H]2CCCO[C@H]12 ZINC000096185777 358714087 /nfs/dbraw/zinc/71/40/87/358714087.db2.gz UWYAHQSYUOKUBW-FMKPAKJESA-N 1 0 292.427 1.494 40 0 CDABRO C[C@H]1C[N@H+](C)C[C@@]12COCCN(C(=O)c1ccoc1)C2 ZINC000096202366 358719326 /nfs/dbraw/zinc/71/93/26/358719326.db2.gz BZJCKXZFWVLTQN-SWLSCSKDSA-N 1 0 278.352 1.320 40 0 CDABRO COCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 ZINC000096249196 358726851 /nfs/dbraw/zinc/72/68/51/358726851.db2.gz KOUAPVKUYYGZHZ-OLZOCXBDSA-N 1 0 278.352 1.462 40 0 CDABRO CN(C)c1ncnc2c1CC[N@H+](CC1CCC1)CC2 ZINC000096255413 358728892 /nfs/dbraw/zinc/72/88/92/358728892.db2.gz MKUROKCRRHJURO-UHFFFAOYSA-N 1 0 260.385 1.743 40 0 CDABRO C[NH+]1CCC(NC(=S)Nc2ccncc2)CC1 ZINC000225800600 359617550 /nfs/dbraw/zinc/61/75/50/359617550.db2.gz XJDNZOALBOWTSS-UHFFFAOYSA-N 1 0 250.371 1.462 40 0 CDABRO COc1cccc(C(=O)NCCC[NH+]2CCCC2)c1OC ZINC000061547414 360219831 /nfs/dbraw/zinc/21/98/31/360219831.db2.gz JCKCAUXYKFGLGA-UHFFFAOYSA-N 1 0 292.379 1.920 40 0 CDABRO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000138329700 360862304 /nfs/dbraw/zinc/86/23/04/360862304.db2.gz DMSWJYSJOHMXPK-SNVBAGLBSA-N 1 0 252.745 1.988 40 0 CDABRO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCOCC1 ZINC000019861907 367280529 /nfs/dbraw/zinc/28/05/29/367280529.db2.gz DIQWWAXKNBUECM-GFCCVEGCSA-N 1 0 285.185 1.781 40 0 CDABRO c1cc(N2CCOCC2)cn2nc(C3CC[NH2+]CC3)nc12 ZINC000107488214 367293279 /nfs/dbraw/zinc/29/32/79/367293279.db2.gz JEKFANJEMGTIRM-UHFFFAOYSA-N 1 0 287.367 1.033 40 0 CDABRO Cc1cccc(Cn2c(=O)ccc3c2CC[C@@H]([NH3+])C3)n1 ZINC000306143412 367314979 /nfs/dbraw/zinc/31/49/79/367314979.db2.gz YBTJFWWNBHIMDA-CYBMUJFWSA-N 1 0 269.348 1.416 40 0 CDABRO COCC[NH2+]CC(=O)Nc1ccccc1N1CCCCC1 ZINC000035311474 369999627 /nfs/dbraw/zinc/99/96/27/369999627.db2.gz HZZWOIOCARITKH-UHFFFAOYSA-N 1 0 291.395 1.851 40 0 CDABRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1nnc(C(F)F)s1 ZINC000333188006 205100581 /nfs/dbraw/zinc/10/05/81/205100581.db2.gz RJFOPICQGYCSIV-RXMQYKEDSA-N 1 0 291.327 1.160 40 0 CDABRO Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000136136345 374172591 /nfs/dbraw/zinc/17/25/91/374172591.db2.gz IVLUNOPTXNRKMT-LLVKDONJSA-N 1 0 252.745 1.956 40 0 CDABRO CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCCC[C@@H]1C(N)=O ZINC000132847658 375612949 /nfs/dbraw/zinc/61/29/49/375612949.db2.gz AUSWCJCFQXZSEK-QWHCGFSZSA-N 1 0 293.415 1.458 40 0 CDABRO COc1cccc(-c2cncc([C@H]3C[NH2+]CCO3)n2)c1 ZINC000257197789 190010054 /nfs/dbraw/zinc/01/00/54/190010054.db2.gz JHEFSEMVQUNQFT-OAHLLOKOSA-N 1 0 271.320 1.813 40 0 CDABRO O=C(NCc1ccc2c(c1)CCCO2)[C@H]1CC[NH2+]C1 ZINC000257198037 190010264 /nfs/dbraw/zinc/01/02/64/190010264.db2.gz QZMJIOOYAOSADV-ZDUSSCGKSA-N 1 0 260.337 1.237 40 0 CDABRO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)[N@@H+]2CCO)N1 ZINC000257219617 190014296 /nfs/dbraw/zinc/01/42/96/190014296.db2.gz DHLGNGNSHVEIQN-PMPSAXMXSA-N 1 0 288.391 1.853 40 0 CDABRO Cc1c[nH]nc1[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000257268532 190023893 /nfs/dbraw/zinc/02/38/93/190023893.db2.gz MMDFPRSBRSXUEL-ZDUSSCGKSA-N 1 0 262.401 1.992 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257271229 190024198 /nfs/dbraw/zinc/02/41/98/190024198.db2.gz MXKPKOLLMHJZRG-SNVBAGLBSA-N 1 0 262.313 1.242 40 0 CDABRO Cc1nccc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)n1 ZINC000257258328 190021469 /nfs/dbraw/zinc/02/14/69/190021469.db2.gz KTIQXBXOOJWTQP-ZDUSSCGKSA-N 1 0 269.352 1.955 40 0 CDABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000257280249 190025844 /nfs/dbraw/zinc/02/58/44/190025844.db2.gz OKBWDCUXPBBBBR-GFCCVEGCSA-N 1 0 297.362 1.292 40 0 CDABRO Cn1ccnc1-c1cncc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000257281998 190026422 /nfs/dbraw/zinc/02/64/22/190026422.db2.gz ORVNTMBFSXVKJB-LBPRGKRZSA-N 1 0 287.367 1.049 40 0 CDABRO CN1CC[NH2+]C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257285819 190027147 /nfs/dbraw/zinc/02/71/47/190027147.db2.gz PJAAMMXZDQFLAX-CYBMUJFWSA-N 1 0 255.365 1.929 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@@H]1c1ccc(OC)cc1 ZINC000218085548 375788219 /nfs/dbraw/zinc/78/82/19/375788219.db2.gz WHOQDXPLWJZSMR-RWMBFGLXSA-N 1 0 269.366 1.171 40 0 CDABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2-c2cc[nH]n2)C1 ZINC000257273740 190024663 /nfs/dbraw/zinc/02/46/63/190024663.db2.gz NIAIPFNEZUXILD-GFCCVEGCSA-N 1 0 287.367 1.693 40 0 CDABRO C[N@@H+]1CCC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 ZINC000257298581 190029909 /nfs/dbraw/zinc/02/99/09/190029909.db2.gz RMIXBBJMKLLAAL-LBPRGKRZSA-N 1 0 284.363 1.979 40 0 CDABRO COc1ccccc1NC(=O)c1cc2c(nc1N)CC[NH2+]C2 ZINC000257338630 190037171 /nfs/dbraw/zinc/03/71/71/190037171.db2.gz YYGLWKROADQGDW-UHFFFAOYSA-N 1 0 298.346 1.570 40 0 CDABRO Cc1ccc(N2CC[C@]3(C2)C[NH2+]CCC3(F)F)nn1 ZINC000096239821 256785749 /nfs/dbraw/zinc/78/57/49/256785749.db2.gz ITRXQOGLRZWQGP-GFCCVEGCSA-N 1 0 268.311 1.610 40 0 CDABRO Cn1cc(CN2CC[C@@H]([NH+](C)C)[C@@H]2Cc2cccnc2)cn1 ZINC000096200834 256820949 /nfs/dbraw/zinc/82/09/49/256820949.db2.gz CXFXRNGKZKMXSX-SJORKVTESA-N 1 0 299.422 1.562 40 0 CDABRO O=C1C[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000096268838 256839121 /nfs/dbraw/zinc/83/91/21/256839121.db2.gz BNNQVQXDHNXBLR-OAHLLOKOSA-N 1 0 292.766 1.969 40 0 CDABRO CCOC(=O)[C@H]1CC[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000096510335 390531077 /nfs/dbraw/zinc/53/10/77/390531077.db2.gz ICLFKLQIHHBWQG-VHSXEESVSA-N 1 0 272.345 1.052 40 0 CDABRO Cc1cc([C@@H](C)O)cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222663 390623045 /nfs/dbraw/zinc/62/30/45/390623045.db2.gz UYYMHWVEYQGHEJ-CYBMUJFWSA-N 1 0 263.385 1.974 40 0 CDABRO O=C(CC1CCCC1)N1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC000096157241 390913363 /nfs/dbraw/zinc/91/33/63/390913363.db2.gz LCUYAGIDXMQHAA-OAHLLOKOSA-N 1 0 266.385 1.548 40 0 CDABRO C[C@H]1[C@H](CC[NH+](C)C)COCCN1C(=O)c1ccccn1 ZINC000248152324 391428536 /nfs/dbraw/zinc/42/85/36/391428536.db2.gz XXPZBZJBLYYXHS-UONOGXRCSA-N 1 0 291.395 1.510 40 0 CDABRO CCc1cccc(CC)c1N1CC[C@@H](C[NH3+])S1(=O)=O ZINC000222540959 391909906 /nfs/dbraw/zinc/90/99/06/391909906.db2.gz JIHHZJTYVFHSQG-ZDUSSCGKSA-N 1 0 282.409 1.679 40 0 CDABRO COc1cc(C[NH2+]C(C)(C)CO)cc(OC)c1OC ZINC000006883118 170252584 /nfs/dbraw/zinc/25/25/84/170252584.db2.gz NRABATIYOMACBO-UHFFFAOYSA-N 1 0 269.341 1.573 40 0 CDABRO COC(=O)[C@H](C)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000035622886 172304469 /nfs/dbraw/zinc/30/44/69/172304469.db2.gz QHQABJVSGUGKSW-MNOVXSKESA-N 1 0 286.372 1.395 40 0 CDABRO CN(Cc1cccc(Br)c1)C(=O)C[NH3+] ZINC000038100066 174114996 /nfs/dbraw/zinc/11/49/96/174114996.db2.gz NHLZGDWKWCPWOB-UHFFFAOYSA-N 1 0 257.131 1.366 40 0 CDABRO CN(C)c1cc[n+](C(F)(F)Br)cc1 ZINC000043463401 175052011 /nfs/dbraw/zinc/05/20/11/175052011.db2.gz JITQNYXHYOWYLQ-UHFFFAOYSA-N 1 0 252.082 1.942 40 0 CDABRO S=C(NC1CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222162 175154771 /nfs/dbraw/zinc/15/47/71/175154771.db2.gz NAEAEZSADXCRLF-UHFFFAOYSA-N 1 0 290.436 1.673 40 0 CDABRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000058040575 175606216 /nfs/dbraw/zinc/60/62/16/175606216.db2.gz BQKYUIMZWPVGFZ-LBPRGKRZSA-N 1 0 297.399 1.208 40 0 CDABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1C[NH2+]CCO1 ZINC000072343619 176372223 /nfs/dbraw/zinc/37/22/23/176372223.db2.gz YQRRNQFUNPWEHS-JTQLQIEISA-N 1 0 291.376 1.659 40 0 CDABRO OCC[N@@H+]1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355781 176374971 /nfs/dbraw/zinc/37/49/71/176374971.db2.gz MCXCFQXPQXTEJD-CQSZACIVSA-N 1 0 270.336 1.668 40 0 CDABRO COCCn1cnnc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072361121 176377115 /nfs/dbraw/zinc/37/71/15/176377115.db2.gz ZVYLNHAQEQFOES-LBPRGKRZSA-N 1 0 252.362 1.717 40 0 CDABRO O=C([C@@H]1CCC[N@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000072367920 176382779 /nfs/dbraw/zinc/38/27/79/176382779.db2.gz KTEUFINUROLFFJ-OAHLLOKOSA-N 1 0 273.380 1.916 40 0 CDABRO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000072369532 176384327 /nfs/dbraw/zinc/38/43/27/176384327.db2.gz AYJQIRZWWSOVMB-CYBMUJFWSA-N 1 0 286.383 1.645 40 0 CDABRO Cn1ccnc1CNc1cnc([C@@H]2CCC[NH2+]C2)cn1 ZINC000072386931 176392663 /nfs/dbraw/zinc/39/26/63/176392663.db2.gz OTZGADYOMJSCBQ-LLVKDONJSA-N 1 0 272.356 1.289 40 0 CDABRO C[N@@H+]1CCC[C@H](c2nccnc2NCC(F)F)C1 ZINC000072386922 176392786 /nfs/dbraw/zinc/39/27/86/176392786.db2.gz QETORALZVSLSHO-VIFPVBQESA-N 1 0 256.300 1.963 40 0 CDABRO O=C1C[C@@]2(CCC[NH2+]C2)C(=O)N1c1ccc(F)cc1 ZINC000096157212 260563691 /nfs/dbraw/zinc/56/36/91/260563691.db2.gz QSCVGPOXASKNFN-CQSZACIVSA-N 1 0 262.284 1.459 40 0 CDABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccccn2)n1 ZINC000062717873 262301995 /nfs/dbraw/zinc/30/19/95/262301995.db2.gz OXKCDFJFMRREIX-UHFFFAOYSA-N 1 0 257.341 1.690 40 0 CDABRO O[C@@H]1C[C@H](c2ccncc2)[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000072321634 275055038 /nfs/dbraw/zinc/05/50/38/275055038.db2.gz LCROHDLYLNYRFC-QBPKDAKJSA-N 1 0 284.359 1.449 40 0 biogenic,in-vitro CDABRO CC(=O)N1CCO[C@@]2(CCC[N@@H+](CC(C)C)C2)C1 ZINC000063527589 277000820 /nfs/dbraw/zinc/00/08/20/277000820.db2.gz AODMSANYAFMLAM-CQSZACIVSA-N 1 0 254.374 1.356 40 0 CDABRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]21 ZINC000096058276 277245111 /nfs/dbraw/zinc/24/51/11/277245111.db2.gz MFGGJYWYUWBNMD-HZSPNIEDSA-N 1 0 294.420 1.721 40 0 CDABRO CC(C)CC(=O)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2CC(N)=O ZINC000257246073 277343536 /nfs/dbraw/zinc/34/35/36/277343536.db2.gz ISJDRMXWOVHQDK-UONOGXRCSA-N 1 0 295.427 1.221 40 0 CDABRO C[C@H]1[C@@H]([NH3+])C(=O)N1c1ccc(Br)cc1 ZINC000225776554 280098452 /nfs/dbraw/zinc/09/84/52/280098452.db2.gz NUKWKOBBKZXUHN-IMTBSYHQSA-N 1 0 255.115 1.512 40 0 CDABRO C[C@H](O)C[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC000096071877 290085765 /nfs/dbraw/zinc/08/57/65/290085765.db2.gz JXYKAAZUXKAMII-AWEZNQCLSA-N 1 0 290.411 1.540 40 0 CDABRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000044555957 295246280 /nfs/dbraw/zinc/24/62/80/295246280.db2.gz IYAVMTADGXBDLB-VIFPVBQESA-N 1 0 260.384 1.250 40 0 CDABRO C[NH+](C)[C@@H]1CCCC[C@H]1Oc1nccn2nccc12 ZINC000585651649 1160096547 /nfs/dbraw/zinc/09/65/47/1160096547.db2.gz GASWTLBEEMWSDV-DGCLKSJQSA-N 1 0 260.341 1.981 40 0 CDABRO Nc1cccc(-c2n[nH]c(CC[NH+]3CCCC3)n2)c1 ZINC000062719477 527511850 /nfs/dbraw/zinc/51/18/50/527511850.db2.gz VPGJNKIZFMLYSA-UHFFFAOYSA-N 1 0 257.341 1.692 40 0 CDABRO C[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000111795569 538163038 /nfs/dbraw/zinc/16/30/38/538163038.db2.gz QKFWJANWEIBVQV-JTQLQIEISA-N 1 0 298.333 1.911 40 0 CDABRO CSC[C@H]1C[N@H+](Cc2c[nH]c3c2ncnc3N)CC1O ZINC001560403766 960944841 /nfs/dbraw/zinc/94/48/41/960944841.db2.gz SMYJXAGKDHBWOE-SECBINFHSA-N 1 0 292.388 1.239 40 0 CDABRO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)O1 ZINC000096057321 185077437 /nfs/dbraw/zinc/07/74/37/185077437.db2.gz RKMUCVOWUJOYAD-MCIONIFRSA-N 1 0 278.352 1.490 40 0 CDABRO COCCN1CC[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]2C1=O ZINC000096054611 185075484 /nfs/dbraw/zinc/07/54/84/185075484.db2.gz ZVMKTLDEFJZKHF-KBPBESRZSA-N 1 0 278.352 1.206 40 0 CDABRO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccncc2)O1 ZINC000096057328 185077308 /nfs/dbraw/zinc/07/73/08/185077308.db2.gz ZUKJJYNLYSQARF-KFWWJZLASA-N 1 0 289.379 1.292 40 0 CDABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccs1 ZINC000096056486 185077699 /nfs/dbraw/zinc/07/76/99/185077699.db2.gz JYDBKOJEYOWZFZ-ZIAGYGMSSA-N 1 0 294.420 1.960 40 0 CDABRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)O1)N1CCCCO1 ZINC000096057400 185077740 /nfs/dbraw/zinc/07/77/40/185077740.db2.gz PSMRLIJLYGBICM-KFWWJZLASA-N 1 0 294.395 1.572 40 0 CDABRO O[C@H]1CC[N@H+](Cc2ccccn2)[C@H]1Cc1cccnc1 ZINC000096061635 185083055 /nfs/dbraw/zinc/08/30/55/185083055.db2.gz ZPQHUGZRGSXEFD-HOTGVXAUSA-N 1 0 269.348 1.655 40 0 CDABRO Cc1ccc(C[NH2+][C@H]2CCc3[nH]c(=O)ccc3C2)o1 ZINC000096067514 185085034 /nfs/dbraw/zinc/08/50/34/185085034.db2.gz SZQMQYZLZHHUSX-LBPRGKRZSA-N 1 0 258.321 1.923 40 0 CDABRO O=C(NCC[C@@H]1C[NH2+]Cc2ccnn21)C1CC(F)(F)C1 ZINC000585112620 342213542 /nfs/dbraw/zinc/21/35/42/342213542.db2.gz UIPJAKQDGDOLBK-SNVBAGLBSA-N 1 0 284.310 1.079 40 0 CDABRO CO[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)C[NH3+])C1 ZINC000585275047 342256042 /nfs/dbraw/zinc/25/60/42/342256042.db2.gz UXDSNBVZHWEQNK-HNNXBMFYSA-N 1 0 296.342 1.171 40 0 CDABRO C[NH2+]CC(=O)N1CC[C@H](Cc2ccc(F)cc2)[C@H](OC)C1 ZINC000585279108 342256594 /nfs/dbraw/zinc/25/65/94/342256594.db2.gz TXBDZQRQTYUPQB-UKRRQHHQSA-N 1 0 294.370 1.451 40 0 CDABRO CN(C)C(=O)[C@]1(C)C[N@H+](CC2(O)CCCCCC2)CCO1 ZINC000585282921 342258517 /nfs/dbraw/zinc/25/85/17/342258517.db2.gz JTANTOXNTBKEJW-HNNXBMFYSA-N 1 0 298.427 1.251 40 0 CDABRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCN1CCOC1=O ZINC000076325337 362101986 /nfs/dbraw/zinc/10/19/86/362101986.db2.gz PHRBDCPEMDIBGR-RYUDHWBXSA-N 1 0 256.346 1.064 40 0 CDABRO CN1C(=O)C2(C[C@H]1Cc1cccc(F)c1)CC[NH2+]CC2 ZINC000257197693 362576172 /nfs/dbraw/zinc/57/61/72/362576172.db2.gz GNHNIJGNECDRCE-CQSZACIVSA-N 1 0 276.355 1.969 40 0 CDABRO CC(C)(C)Oc1ccc(C[C@H]2C[NH2+]CC3(COC3)N2)cc1 ZINC000306145434 201845013 /nfs/dbraw/zinc/84/50/13/201845013.db2.gz FIFWOHYOPMKOPQ-AWEZNQCLSA-N 1 0 290.407 1.737 40 0 CDABRO Cc1nccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000086177593 179246385 /nfs/dbraw/zinc/24/63/85/179246385.db2.gz SDJNAZZYQAAHLC-MRXNPFEDSA-N 1 0 268.364 1.932 40 0 CDABRO OC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C[C@@H]1O ZINC000107286167 186166188 /nfs/dbraw/zinc/16/61/88/186166188.db2.gz OLNZAZVQTPDZEU-GAFUQQFSSA-N 1 0 257.280 1.186 40 0 CDABRO CC(C)NC(=O)CN1CCC(O)(c2ccccc2)CC1 ZINC000004388392 363227152 /nfs/dbraw/zinc/22/71/52/363227152.db2.gz APGJCWYCMTVNFB-UHFFFAOYSA-N 1 0 276.380 1.495 40 0 CDABRO CC(C)c1nnc2ccc(NC(=O)N3CC[C@H]([NH3+])C3)cn21 ZINC000333934512 363237306 /nfs/dbraw/zinc/23/73/06/363237306.db2.gz IOFIBYMHFFWFKC-JTQLQIEISA-N 1 0 288.355 1.418 40 0 CDABRO O=C(N1CCOCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000001635631 355943215 /nfs/dbraw/zinc/94/32/15/355943215.db2.gz KSXVHBMVDLMAQG-UHFFFAOYSA-N 1 0 274.364 1.167 40 0 in-vitro CDABRO c1ccc(-c2nnn(CC[NH+]3CCCCC3)n2)cc1 ZINC000001669986 355946070 /nfs/dbraw/zinc/94/60/70/355946070.db2.gz HLQDIPIJVPRKHZ-UHFFFAOYSA-N 1 0 257.341 1.826 40 0 in-vitro CDABRO CN(CC[NH3+])[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079390949 356988271 /nfs/dbraw/zinc/98/82/71/356988271.db2.gz HSKAPJWLYWCIGA-OAHLLOKOSA-N 1 0 291.395 1.678 40 0 CDABRO CC(C)N(Cc1nccnc1Cl)C(=O)[C@H](C)[NH3+] ZINC000079435772 356996130 /nfs/dbraw/zinc/99/61/30/356996130.db2.gz RVNVPWMVMPVSED-QMMMGPOBSA-N 1 0 256.737 1.214 40 0 CDABRO COc1cc(N2CCC[NH2+]CC2)nc(SC)n1 ZINC000079439614 358233699 /nfs/dbraw/zinc/23/36/99/358233699.db2.gz NEFHWZQNSRSMMY-UHFFFAOYSA-N 1 0 254.359 1.007 40 0 CDABRO c1ccc(Nc2cc(N3CC[NH2+]CC3)ncn2)cc1 ZINC000026442179 358763210 /nfs/dbraw/zinc/76/32/10/358763210.db2.gz CKAOROPICIJWOS-UHFFFAOYSA-N 1 0 255.325 1.630 40 0 CDABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2Cc2ccccn2)cn1 ZINC000096200895 358717981 /nfs/dbraw/zinc/71/79/81/358717981.db2.gz HBJUFYZTMANWHO-SJORKVTESA-N 1 0 299.422 1.562 40 0 CDABRO C[NH+]1CCC2(CCOC[C@@H]2NC(=O)c2ccccc2)CC1 ZINC000096215960 358721484 /nfs/dbraw/zinc/72/14/84/358721484.db2.gz TXXVCQLWKNXYFA-HNNXBMFYSA-N 1 0 288.391 1.917 40 0 CDABRO OCCN1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226766 358723272 /nfs/dbraw/zinc/72/32/72/358723272.db2.gz BMTCVLNLHAGCRF-INIZCTEOSA-N 1 0 294.370 1.489 40 0 CDABRO COCC[N@@H+]1CC[C@]12CCN(C(=O)Cc1cccs1)C2 ZINC000096228661 358724065 /nfs/dbraw/zinc/72/40/65/358724065.db2.gz YEKDKFVZQKGIAO-HNNXBMFYSA-N 1 0 294.420 1.614 40 0 CDABRO CC[N@@H+]1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC000096244446 358725046 /nfs/dbraw/zinc/72/50/46/358725046.db2.gz IKYWVZIEWBTCAP-OAHLLOKOSA-N 1 0 276.384 1.345 40 0 CDABRO c1ccn(Cc2nnc3n2CCC[N@@H+](CC2CC2)C3)c1 ZINC000096259635 358728258 /nfs/dbraw/zinc/72/82/58/358728258.db2.gz BMULRNPHUOXWEY-UHFFFAOYSA-N 1 0 271.368 1.744 40 0 CDABRO Cc1ccc(N2CC[C@@H](C[NH3+])S2(=O)=O)cc1C ZINC000222540611 359352698 /nfs/dbraw/zinc/35/26/98/359352698.db2.gz KPJBVYJNFSOEQJ-LBPRGKRZSA-N 1 0 254.355 1.171 40 0 CDABRO [NH3+]CCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000017043828 283447897 /nfs/dbraw/zinc/44/78/97/283447897.db2.gz UEVQCNCWNJWQKT-UHFFFAOYSA-N 1 0 264.638 1.903 40 0 CDABRO Cc1ccc(C[NH2+]CCN[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575420379 364819627 /nfs/dbraw/zinc/81/96/27/364819627.db2.gz GZDZXNCHLWUVQF-OAHLLOKOSA-N 1 0 296.436 1.251 40 0 CDABRO CCOC[C@H]1[NH2+]CCc2cnn(CC3CCOCC3)c21 ZINC000103948465 367292269 /nfs/dbraw/zinc/29/22/69/367292269.db2.gz JXGMZXGABCOWPZ-CQSZACIVSA-N 1 0 279.384 1.533 40 0 CDABRO CC(C)(C)OC(=O)NCC12C3C4C1C1C2C3C41C[NH3+] ZINC000306145293 372360714 /nfs/dbraw/zinc/36/07/14/372360714.db2.gz APSTXJKAURABGS-UHFFFAOYSA-N 1 0 262.353 1.208 40 0 CDABRO C[C@@H](Cc1cccs1)[N@H+](C)CCn1cncn1 ZINC000081575208 374061072 /nfs/dbraw/zinc/06/10/72/374061072.db2.gz MVRJCEVJTMIGIX-NSHDSACASA-N 1 0 250.371 1.903 40 0 CDABRO C[NH2+]C[C@@]1(O)CCCN(c2ccnc3ccc(C)nc32)C1 ZINC000257242168 374421264 /nfs/dbraw/zinc/42/12/64/374421264.db2.gz IBJLNUXKXWCGDZ-INIZCTEOSA-N 1 0 286.379 1.489 40 0 CDABRO C[C@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCC[NH2+]1 ZINC000079520236 374823146 /nfs/dbraw/zinc/82/31/46/374823146.db2.gz RDLNWYILECXCCP-MRXNPFEDSA-N 1 0 289.379 1.604 40 0 CDABRO CCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1ccccc1 ZINC000096112965 375058277 /nfs/dbraw/zinc/05/82/77/375058277.db2.gz LEWVNSFIAIZCMP-UONOGXRCSA-N 1 0 289.379 1.074 40 0 biogenic,in-vitro CDABRO COC(=O)[C@@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000163013359 375584251 /nfs/dbraw/zinc/58/42/51/375584251.db2.gz NQIJXBNGELNCOI-GFCCVEGCSA-N 1 0 254.374 1.498 40 0 CDABRO C[C@H]1[NH2+]CC=CC[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000257198172 190010761 /nfs/dbraw/zinc/01/07/61/190010761.db2.gz VFDWHCQCCOTDNK-BXUZGUMPSA-N 1 0 262.328 1.996 40 0 CDABRO Cc1nc(N)sc1-c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000257203780 190011752 /nfs/dbraw/zinc/01/17/52/190011752.db2.gz ARPMVYYLQWZVCT-SECBINFHSA-N 1 0 275.381 1.958 40 0 CDABRO OCC[N@@H+]1CCOC[C@@H](Cc2cccc(F)c2)C1 ZINC000257264483 190023095 /nfs/dbraw/zinc/02/30/95/190023095.db2.gz LUOCDGBZAUMKJC-ZDUSSCGKSA-N 1 0 253.317 1.309 40 0 CDABRO COC[C@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001351 375774552 /nfs/dbraw/zinc/77/45/52/375774552.db2.gz ZYNPKUQUMYUHDL-VXGBXAGGSA-N 1 0 289.784 1.478 40 0 CDABRO CCn1cc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257316309 190032999 /nfs/dbraw/zinc/03/29/99/190032999.db2.gz VFAADGJUSSYEKO-GFCCVEGCSA-N 1 0 259.357 1.924 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)CC2CC2)cc1 ZINC000257344572 190037927 /nfs/dbraw/zinc/03/79/27/190037927.db2.gz ZXVWUWDUFJZYRZ-OAHLLOKOSA-N 1 0 274.364 1.968 40 0 CDABRO CCn1cc(CNC(=S)NCCC[NH+](CC)CC)cn1 ZINC000002790069 378055096 /nfs/dbraw/zinc/05/50/96/378055096.db2.gz XGLIBUDUHHHHJB-UHFFFAOYSA-N 1 0 297.472 1.599 40 0 CDABRO CC(C)C[NH+]1CCC(Nc2ccc3nnnn3n2)CC1 ZINC000041817248 379472355 /nfs/dbraw/zinc/47/23/55/379472355.db2.gz SMCANMPYWFSJAT-UHFFFAOYSA-N 1 0 275.360 1.052 40 0 CDABRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH2+]CC1 ZINC000096523438 390536671 /nfs/dbraw/zinc/53/66/71/390536671.db2.gz PMBDFTWJJZUYSJ-LBPRGKRZSA-N 1 0 299.415 1.404 40 0 CDABRO CCOC(=O)[C@H](N)C1([NH+](CC)CC)CCCCC1 ZINC000072210560 390618059 /nfs/dbraw/zinc/61/80/59/390618059.db2.gz FIEUGAYBYJODAC-LBPRGKRZSA-N 1 0 256.390 1.922 40 0 CDABRO Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1CCO ZINC000072223720 390624041 /nfs/dbraw/zinc/62/40/41/390624041.db2.gz KBRRTSOAUCFOMF-UHFFFAOYSA-N 1 0 263.385 1.455 40 0 CDABRO COc1cccc(NCCc2nnc([C@@H](C)[NH3+])[nH]2)c1 ZINC000095534661 390611281 /nfs/dbraw/zinc/61/12/81/390611281.db2.gz AKVVBPLFQBNCBS-SECBINFHSA-N 1 0 261.329 1.488 40 0 CDABRO O=C(N[C@@H](c1ccncc1)C1CC1)C1CC[NH2+]CC1 ZINC000098181615 391248179 /nfs/dbraw/zinc/24/81/79/391248179.db2.gz XYHPQEHMHNQMKI-CQSZACIVSA-N 1 0 259.353 1.649 40 0 CDABRO CC[N@H+](Cc1ccc2c(c1)CCO2)[C@@H]1CCNC1=O ZINC000442960251 392355295 /nfs/dbraw/zinc/35/52/95/392355295.db2.gz HBNTWOWSYQFRKB-CYBMUJFWSA-N 1 0 260.337 1.332 40 0 CDABRO CC(C)(C)n1nccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000082280915 393084658 /nfs/dbraw/zinc/08/46/58/393084658.db2.gz HSQBXIGDCAIUQK-JTQLQIEISA-N 1 0 250.346 1.576 40 0 CDABRO CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1C ZINC000002710248 169821413 /nfs/dbraw/zinc/82/14/13/169821413.db2.gz FOOBAHXAMONGOR-STQMWFEESA-N 1 0 253.342 1.095 40 0 CDABRO O=C(COC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCOCC1 ZINC000005382567 170092582 /nfs/dbraw/zinc/09/25/82/170092582.db2.gz UZCRBOXJXRSIAX-CABCVRRESA-N 1 0 296.411 1.126 40 0 CDABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCC[NH+](C)C ZINC000020495094 171226786 /nfs/dbraw/zinc/22/67/86/171226786.db2.gz ATZSRQYNRDHEOV-AWEZNQCLSA-N 1 0 264.369 1.830 40 0 CDABRO O=C(Cc1ccccc1F)NCCC[NH+]1CCCC1 ZINC000044871011 175268619 /nfs/dbraw/zinc/26/86/19/175268619.db2.gz QKUZMHPQGPTWBQ-UHFFFAOYSA-N 1 0 264.344 1.970 40 0 CDABRO CC[N@@H+]1CCC[C@](O)(CNCc2ccccc2F)C1 ZINC000046087886 175392540 /nfs/dbraw/zinc/39/25/40/175392540.db2.gz RPSNYSMNORUSSR-HNNXBMFYSA-N 1 0 266.360 1.762 40 0 CDABRO O=C(c1ccnc(C2CC[NH2+]CC2)c1)N1CCCOCC1 ZINC000072365727 176381344 /nfs/dbraw/zinc/38/13/44/176381344.db2.gz WKNHIWSHVOMDCK-UHFFFAOYSA-N 1 0 289.379 1.411 40 0 CDABRO CNc1cc(Nc2nccc([C@@H]3CCCC[NH2+]3)n2)ncn1 ZINC000072376733 176385135 /nfs/dbraw/zinc/38/51/35/176385135.db2.gz VQZKJWPWSQMAET-JTQLQIEISA-N 1 0 285.355 1.867 40 0 CDABRO OCC[N@@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377403 176385978 /nfs/dbraw/zinc/38/59/78/176385978.db2.gz CXQAYBQIKAGLAA-GFCCVEGCSA-N 1 0 286.339 1.139 40 0 CDABRO Cc1noc([C@]2(C)CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072385831 176390603 /nfs/dbraw/zinc/39/06/03/176390603.db2.gz ASAIKGKLPNQMMW-CQSZACIVSA-N 1 0 275.356 1.665 40 0 CDABRO Cc1nc(N[C@@H]2CCCOC2)cc(C2CC[NH2+]CC2)n1 ZINC000072386906 176392332 /nfs/dbraw/zinc/39/23/32/176392332.db2.gz ZOKBEBROWADWJV-CYBMUJFWSA-N 1 0 276.384 1.843 40 0 CDABRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccon2)C1 ZINC000077957561 177312938 /nfs/dbraw/zinc/31/29/38/177312938.db2.gz KSBGSSZZWSXUAU-LLVKDONJSA-N 1 0 268.313 1.188 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@H](CN(C(=O)C[NH3+])C2CC2)C1 ZINC000079391141 177475424 /nfs/dbraw/zinc/47/54/24/177475424.db2.gz RVRLDHCVUBDXCH-NSHDSACASA-N 1 0 297.399 1.193 40 0 CDABRO C[C@@H]1CN(CC[NH3+])CCN1C(=O)OCc1ccccc1 ZINC000079419881 177486649 /nfs/dbraw/zinc/48/66/49/177486649.db2.gz RDXYDJXLILNMNK-CYBMUJFWSA-N 1 0 277.368 1.288 40 0 CDABRO O[C@@H]1C[C@H](c2ccccc2)[C@@H]([NH2+]C2CCOCC2)[C@@H]1O ZINC000072321651 260188006 /nfs/dbraw/zinc/18/80/06/260188006.db2.gz GFJGRPZUNLPJSH-KLHDSHLOSA-N 1 0 277.364 1.033 40 0 biogenic,in-vitro CDABRO C[C@H]([NH3+])C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000083318373 260189164 /nfs/dbraw/zinc/18/91/64/260189164.db2.gz ZNPRGXOEYHPPBT-WHXUTIOJSA-N 1 0 285.388 1.286 40 0 CDABRO CCOCCC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717612 262302381 /nfs/dbraw/zinc/30/23/81/262302381.db2.gz LBPLOTYADJXDRR-UHFFFAOYSA-N 1 0 252.362 1.813 40 0 CDABRO FC1(F)CC[NH2+]C[C@]12CCN(c1ccccn1)C2 ZINC000096239808 265346123 /nfs/dbraw/zinc/34/61/23/265346123.db2.gz APBWPTYMNXLBPL-LBPRGKRZSA-N 1 0 253.296 1.907 40 0 CDABRO CCO[C@H]1C[N@H+](Cc2cnn(C)c2)[C@@H]2CCCO[C@@H]21 ZINC000096057432 276360119 /nfs/dbraw/zinc/36/01/19/276360119.db2.gz UWLAJSWVYSGAEX-RDBSUJKOSA-N 1 0 265.357 1.188 40 0 CDABRO COCC(=O)N1CCC[C@]2(C[C@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000107790601 277195401 /nfs/dbraw/zinc/19/54/01/277195401.db2.gz HMKYSGSLGKCSAA-CJNGLKHVSA-N 1 0 296.411 1.125 40 0 CDABRO CNC(=O)CN1CCC([NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133984694 277228896 /nfs/dbraw/zinc/22/88/96/277228896.db2.gz AJZMCTUYPDVKIO-ZBFHGGJFSA-N 1 0 293.455 1.779 40 0 CDABRO CC[C@@H](C)[C@](C)(O)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000132948182 323211072 /nfs/dbraw/zinc/21/10/72/323211072.db2.gz CBJRJCWNSRRCPY-GALLPEHLSA-N 1 0 270.417 1.820 40 0 CDABRO CC(C)(C)n1nccc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000225814265 333182819 /nfs/dbraw/zinc/18/28/19/333182819.db2.gz HPHBQZMYTWVHKI-SNVBAGLBSA-N 1 0 250.346 1.719 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC001548448192 969423022 /nfs/dbraw/zinc/42/30/22/969423022.db2.gz VIWZOWWZOAMBLT-CUOATXAZSA-N 1 0 298.333 1.561 40 0 CDABRO CC1(C)[NH2+][C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CO1 ZINC000095913269 185030599 /nfs/dbraw/zinc/03/05/99/185030599.db2.gz PEJXWFVSLBDUGW-KGLIPLIRSA-N 1 0 290.363 1.980 40 0 CDABRO COCCN1CC[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2C1=O ZINC000096054609 185076301 /nfs/dbraw/zinc/07/63/01/185076301.db2.gz UIVMANVPTQSQHT-JSGCOSHPSA-N 1 0 278.352 1.206 40 0 CDABRO Cn1cccc1C[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC000096063662 185083548 /nfs/dbraw/zinc/08/35/48/185083548.db2.gz RNQGWKFSOYVKCI-OKILXGFUSA-N 1 0 299.374 1.822 40 0 CDABRO CC(C)N1C[C@@]2(CCCN(Cc3nccn3C)C2)C1=O ZINC000585099648 342212244 /nfs/dbraw/zinc/21/22/44/342212244.db2.gz UQSPZNJILNSHDR-HNNXBMFYSA-N 1 0 276.384 1.253 40 0 CDABRO Cc1ccc(N2CC[C@@H]3[C@H](CC2)OCC[N@H+]3C)nn1 ZINC000248053828 362146067 /nfs/dbraw/zinc/14/60/67/362146067.db2.gz RUAFSQMCKDJSHL-OLZOCXBDSA-N 1 0 262.357 1.084 40 0 CDABRO C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000247962399 362140872 /nfs/dbraw/zinc/14/08/72/362140872.db2.gz FWARSUXQPVHYOF-CABCVRRESA-N 1 0 262.353 1.961 40 0 CDABRO COC[C@@H]1CC[N@H+](C)C2(CN(Cc3ccccn3)C2)C1 ZINC000248126664 362153205 /nfs/dbraw/zinc/15/32/05/362153205.db2.gz LXWFBLRBMKNSSY-CQSZACIVSA-N 1 0 275.396 1.624 40 0 CDABRO O=C(NC1CCC1)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257213020 362577684 /nfs/dbraw/zinc/57/76/84/362577684.db2.gz CFWUGZZVBKSLNQ-AWEZNQCLSA-N 1 0 277.343 1.273 40 0 CDABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257292180 362583523 /nfs/dbraw/zinc/58/35/23/362583523.db2.gz QKIMQGUPWBRTAM-CYBMUJFWSA-N 1 0 276.384 1.287 40 0 CDABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257321501 362586226 /nfs/dbraw/zinc/58/62/26/362586226.db2.gz WBXXKIJWURYMFE-NSHDSACASA-N 1 0 257.341 1.984 40 0 CDABRO NC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[NH2+]1 ZINC000019696531 348736517 /nfs/dbraw/zinc/73/65/17/348736517.db2.gz SWLAVMXSJNONEX-OAHLLOKOSA-N 1 0 271.320 1.492 40 0 CDABRO CC[N@@H+]1CCC[C@@](C)(c2nncn2CCOC)C1 ZINC000205703090 348744058 /nfs/dbraw/zinc/74/40/58/348744058.db2.gz JYAGAJYGLASLHM-CYBMUJFWSA-N 1 0 252.362 1.298 40 0 CDABRO CC(=O)N1CCC[C@]2(CC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC000107282637 186165325 /nfs/dbraw/zinc/16/53/25/186165325.db2.gz OBSBYWZZUYLNOL-HUUCEWRRSA-N 1 0 266.385 1.357 40 0 CDABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1cncc(F)c1)C2 ZINC000108524459 186221342 /nfs/dbraw/zinc/22/13/42/186221342.db2.gz QCBBTRVSOMAXKU-UHFFFAOYSA-N 1 0 277.343 1.777 40 0 CDABRO CC(C)c1ccccc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000022030735 356597928 /nfs/dbraw/zinc/59/79/28/356597928.db2.gz SVDQKJGGPAZMQT-OAHLLOKOSA-N 1 0 292.423 1.797 40 0 CDABRO CCCN(CCC)C(=O)[C@@H]1C[NH2+]Cc2cn(C)nc21 ZINC000019701747 283205756 /nfs/dbraw/zinc/20/57/56/283205756.db2.gz ROBHWEHFHJNZOS-GFCCVEGCSA-N 1 0 264.373 1.256 40 0 CDABRO COC[C@@H](O)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000031666615 356767721 /nfs/dbraw/zinc/76/77/21/356767721.db2.gz LGGVZZAMPTWNBW-HNNXBMFYSA-N 1 0 264.369 1.124 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079409108 356992165 /nfs/dbraw/zinc/99/21/65/356992165.db2.gz ISTQEHSNHMVKSU-QWRGUYRKSA-N 1 0 285.388 1.239 40 0 CDABRO CCN(C[C@@H]1CCCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408472 356992219 /nfs/dbraw/zinc/99/22/19/356992219.db2.gz JIPNMEKCUCIOFP-CYBMUJFWSA-N 1 0 285.432 1.914 40 0 CDABRO O=C(N[C@H]1CCC[N@@H+](CCO)C1)OCc1ccccc1 ZINC000079410885 356993901 /nfs/dbraw/zinc/99/39/01/356993901.db2.gz MKKLGXKQIBLBPW-AWEZNQCLSA-N 1 0 278.352 1.370 40 0 CDABRO CC[N@H+](Cc1ccccc1)[C@H]1CCCN(CCO)C1 ZINC000079414208 356994145 /nfs/dbraw/zinc/99/41/45/356994145.db2.gz JUHQOVHXDNEWLX-INIZCTEOSA-N 1 0 262.397 1.965 40 0 CDABRO C[C@H]1CN(C(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000062672186 357479390 /nfs/dbraw/zinc/47/93/90/357479390.db2.gz CGTNGWQNINLROZ-VIFPVBQESA-N 1 0 283.169 1.883 40 0 CDABRO C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000072816494 357852222 /nfs/dbraw/zinc/85/22/22/357852222.db2.gz XFSNQALZPVQQSF-UHFFFAOYSA-N 1 0 267.417 1.320 40 0 CDABRO CC(=O)N1CCN(c2cccc([C@@H]3CCC[NH2+]3)n2)CC1 ZINC000072386748 357832002 /nfs/dbraw/zinc/83/20/02/357832002.db2.gz XOXLOAJTMXGGMC-ZDUSSCGKSA-N 1 0 274.368 1.175 40 0 CDABRO CC[NH+]1CCN(CC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000019528162 358103285 /nfs/dbraw/zinc/10/32/85/358103285.db2.gz JACPNXSHOYFTHR-UHFFFAOYSA-N 1 0 290.411 1.329 40 0 CDABRO c1cncc(CO[C@H]2C[N@H+]([C@@H]3CCOC3)[C@@H]3COC[C@H]23)c1 ZINC000096185075 358714317 /nfs/dbraw/zinc/71/43/17/358714317.db2.gz ATODGBHDLSAECW-QXSJWSMHSA-N 1 0 290.363 1.086 40 0 CDABRO CC[NH+](CC)Cc1cn2c(n1)CN([C@H]1CCOC1)CC2 ZINC000096197195 358715827 /nfs/dbraw/zinc/71/58/27/358715827.db2.gz VWJGCYRIRAOHAD-AWEZNQCLSA-N 1 0 278.400 1.329 40 0 CDABRO CCc1ccc(C[N@@H+]2C[C@@H](C)[C@@]3(CCNC3=O)C2)o1 ZINC000096201620 358718102 /nfs/dbraw/zinc/71/81/02/358718102.db2.gz WNYIQWKXGCQBAK-IAQYHMDHSA-N 1 0 262.353 1.800 40 0 CDABRO CN(C)[C@@H]1CC[N@@H+](C2CCOCC2)[C@H]1Cc1cnn(C)c1 ZINC000096200926 358718522 /nfs/dbraw/zinc/71/85/22/358718522.db2.gz JNTPARRWIPOGIF-CVEARBPZSA-N 1 0 292.427 1.146 40 0 CDABRO CC(=O)N1CC[C@@H](C(F)(F)F)C2(CC[NH2+]CC2)C1 ZINC000096261708 358729666 /nfs/dbraw/zinc/72/96/66/358729666.db2.gz NJLKOGXXIWSRQK-SNVBAGLBSA-N 1 0 264.291 1.787 40 0 CDABRO C[N@@H+]1CCC[C@]2(CN(C(=O)C3CCCCC3)CCO2)C1 ZINC000096268588 358730725 /nfs/dbraw/zinc/73/07/25/358730725.db2.gz PQAYDGUOERBNSR-MRXNPFEDSA-N 1 0 280.412 1.890 40 0 CDABRO NC(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096268911 358731443 /nfs/dbraw/zinc/73/14/43/358731443.db2.gz YFCXASWFXGYSAI-UHFFFAOYSA-N 1 0 265.744 1.860 40 0 CDABRO C[NH+](C)CCC[NH2+]Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000062718626 358781419 /nfs/dbraw/zinc/78/14/19/358781419.db2.gz NFTCKSPYNIDAFF-UHFFFAOYSA-N 1 0 289.379 1.767 40 0 CDABRO [NH3+]C[C@H]1CCN(Cc2cccc3ccccc32)S1(=O)=O ZINC000222539552 359353251 /nfs/dbraw/zinc/35/32/51/359353251.db2.gz VVSSHZWQJIEXCK-CQSZACIVSA-N 1 0 290.388 1.703 40 0 CDABRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccsn2)CCCO1 ZINC000296937382 200040389 /nfs/dbraw/zinc/04/03/89/200040389.db2.gz XIFSDKZICIMZGG-LLVKDONJSA-N 1 0 283.397 1.374 40 0 CDABRO CC(C)(C)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000081032565 359670065 /nfs/dbraw/zinc/67/00/65/359670065.db2.gz KBWCAHLCGULTNA-UHFFFAOYSA-N 1 0 254.374 1.356 40 0 CDABRO COc1cccc(CCNC(=O)CC2CC[NH2+]CC2)c1 ZINC000226311118 359677751 /nfs/dbraw/zinc/67/77/51/359677751.db2.gz PENYPVRNDNKSIV-UHFFFAOYSA-N 1 0 276.380 1.744 40 0 CDABRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000305212684 364891036 /nfs/dbraw/zinc/89/10/36/364891036.db2.gz HMOSRHFGTRUENM-CJNGLKHVSA-N 1 0 294.395 1.078 40 0 CDABRO COCC[NH2+]CCNC(=O)[C@@H]1CSc2ccccc21 ZINC000212764903 189689388 /nfs/dbraw/zinc/68/93/88/189689388.db2.gz HHSLAKYCUPRXOE-GFCCVEGCSA-N 1 0 280.393 1.228 40 0 CDABRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)C1(C(C)C)CC1 ZINC000631953392 367030630 /nfs/dbraw/zinc/03/06/30/367030630.db2.gz JFRULNRKLXQHKD-LBPRGKRZSA-N 1 0 274.430 1.435 40 0 CDABRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)CC(F)(F)F)CN1 ZINC000330945259 203408882 /nfs/dbraw/zinc/40/88/82/203408882.db2.gz GVYVJCWIBVRNTI-AXFHLTTASA-N 1 0 294.317 1.290 40 0 CDABRO CCN(C(C)=O)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000100177655 284263621 /nfs/dbraw/zinc/26/36/21/284263621.db2.gz WHPDOPYAWKRBIG-MJBXVCDLSA-N 1 0 283.416 1.266 40 0 CDABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@H]2C[NH3+])cc1 ZINC000218582166 373047366 /nfs/dbraw/zinc/04/73/66/373047366.db2.gz NBBAEOSFOGDZKE-RDBSUJKOSA-N 1 0 267.394 1.724 40 0 CDABRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000130917595 374228982 /nfs/dbraw/zinc/22/89/82/374228982.db2.gz YEHFJTNBLOHEQK-HUUCEWRRSA-N 1 0 288.391 1.798 40 0 CDABRO COC(C[N@@H+]1CCCN(c2ncccc2F)CC1)OC ZINC000225489067 374496261 /nfs/dbraw/zinc/49/62/61/374496261.db2.gz COYVGDCKHCISMS-UHFFFAOYSA-N 1 0 283.347 1.352 40 0 CDABRO C[NH+](C)CCCNC(=O)[C@]1(C)CC(c2cccs2)=NO1 ZINC000226747849 375393344 /nfs/dbraw/zinc/39/33/44/375393344.db2.gz GQSWGPOVXZIKKD-AWEZNQCLSA-N 1 0 295.408 1.699 40 0 CDABRO Cn1ncc(C[NH2+]C[C@H]2CCCO2)c1C(F)(F)F ZINC000256054055 190005094 /nfs/dbraw/zinc/00/50/94/190005094.db2.gz UTRWTRYYFAHWHR-SECBINFHSA-N 1 0 263.263 1.708 40 0 CDABRO O=C(Nc1cnccn1)c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000257197914 190010319 /nfs/dbraw/zinc/01/03/19/190010319.db2.gz NCJAYDRFZGHETR-SNVBAGLBSA-N 1 0 269.308 1.548 40 0 CDABRO Cc1cccnc1C(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257204630 190011600 /nfs/dbraw/zinc/01/16/00/190011600.db2.gz AVPHOALVOYNLJL-UMVBOHGHSA-N 1 0 289.379 1.108 40 0 CDABRO Cc1nc[nH]c1C[N@@H+]1CC[C@H](c2nccc(C)n2)C1 ZINC000257210029 190012345 /nfs/dbraw/zinc/01/23/45/190012345.db2.gz BSVFWDSMJNAJIN-LBPRGKRZSA-N 1 0 257.341 1.806 40 0 CDABRO CCn1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)c(C)n1 ZINC000257209812 190012661 /nfs/dbraw/zinc/01/26/61/190012661.db2.gz BRYSIEYZYRMCNC-HOTGVXAUSA-N 1 0 293.411 1.981 40 0 CDABRO CC[N@H+](CCO)Cc1ccnc([C@@H]2CCCOC2)n1 ZINC000257268318 190024257 /nfs/dbraw/zinc/02/42/57/190024257.db2.gz MLDBJWYUFGVONA-GFCCVEGCSA-N 1 0 265.357 1.185 40 0 CDABRO CCOC(=O)[C@@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217987704 375771419 /nfs/dbraw/zinc/77/14/19/375771419.db2.gz HMHXGAGTKLGKGK-TZMCWYRMSA-N 1 0 297.376 1.049 40 0 CDABRO C[N@@H+]1CCN(Cc2ccc3ccccc3n2)C[C@@H](C(N)=O)C1 ZINC000257304259 190030483 /nfs/dbraw/zinc/03/04/83/190030483.db2.gz SKUDIFVFQFTURI-AWEZNQCLSA-N 1 0 298.390 1.084 40 0 CDABRO Cn1nccc1-c1cncc(C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000257317707 190032370 /nfs/dbraw/zinc/03/23/70/190032370.db2.gz VKVLPGJQNFBMRY-LBPRGKRZSA-N 1 0 271.368 1.761 40 0 CDABRO OCCc1cc([C@@H]2CC[N@@H+](C3CCCC3)C2)no1 ZINC000257326523 190034594 /nfs/dbraw/zinc/03/45/94/190034594.db2.gz WXNJTROKYPDEQG-LLVKDONJSA-N 1 0 250.342 1.941 40 0 CDABRO C[C@H](O)CCC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000331166241 376646874 /nfs/dbraw/zinc/64/68/74/376646874.db2.gz BGCOPQSAOAZNBG-SDDRHHMPSA-N 1 0 263.403 1.093 40 0 CDABRO COC(=O)c1cnc(N2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000072222655 256705954 /nfs/dbraw/zinc/70/59/54/256705954.db2.gz PCHYHLMAYFHYRG-UHFFFAOYSA-N 1 0 277.368 1.707 40 0 CDABRO C[NH+](C)[C@@H]1CCN(c2ncccn2)[C@H]1Cc1cccnc1 ZINC000096200838 256821273 /nfs/dbraw/zinc/82/12/73/256821273.db2.gz CIBZDBFEWMZTOU-CABCVRRESA-N 1 0 283.379 1.623 40 0 CDABRO CC[N@@H+]1CCOC[C@]2(CCCN(c3nncs3)C2)C1 ZINC000096229356 256830023 /nfs/dbraw/zinc/83/00/23/256830023.db2.gz GJLTVYVIORXLQH-CYBMUJFWSA-N 1 0 282.413 1.477 40 0 CDABRO [NH3+]CCn1cc(C(=O)NCCC2CCCC2)cn1 ZINC000096528588 390538810 /nfs/dbraw/zinc/53/88/10/390538810.db2.gz PDMCJPFTJQTLGK-UHFFFAOYSA-N 1 0 250.346 1.152 40 0 CDABRO CCOC(=O)[C@@H](CN)[C@](C)(CC)[NH+]1CCCCC1 ZINC000072210440 390618562 /nfs/dbraw/zinc/61/85/62/390618562.db2.gz UNZPUEORNMWUBR-OCCSQVGLSA-N 1 0 256.390 1.779 40 0 CDABRO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1cnn(C)c1 ZINC000096081914 390912674 /nfs/dbraw/zinc/91/26/74/390912674.db2.gz AHLHTZHQRRSCAB-TTZDDIAXSA-N 1 0 292.427 1.561 40 0 CDABRO CCN1CCN(C(=O)c2ccc(OC)c(C)c2)CC1 ZINC000009140108 391811158 /nfs/dbraw/zinc/81/11/58/391811158.db2.gz FSQRFMPEOOXRDT-UHFFFAOYSA-N 1 0 262.353 1.781 40 0 CDABRO Clc1ncc(Br)c(N2CC[NH2+]CC2)n1 ZINC000085788221 135038244 /nfs/dbraw/zinc/03/82/44/135038244.db2.gz YWDMVRARYLPKFO-UHFFFAOYSA-N 1 0 277.553 1.302 40 0 CDABRO CO[C@@H]1C[C@@H]([NH3+])[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 ZINC000005572735 170115029 /nfs/dbraw/zinc/11/50/29/170115029.db2.gz YHLKFUVZZXJDKE-HTOAHKCRSA-N 1 0 265.309 1.189 40 0 CDABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OC ZINC000008497885 170338050 /nfs/dbraw/zinc/33/80/50/170338050.db2.gz CAKDXOPUIMVDAY-QMMMGPOBSA-N 1 0 259.733 1.828 40 0 CDABRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000020182387 171046014 /nfs/dbraw/zinc/04/60/14/171046014.db2.gz MFIFYYPGRLRCRF-SNVBAGLBSA-N 1 0 272.345 1.185 40 0 CDABRO COc1ccccc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000022829381 171399875 /nfs/dbraw/zinc/39/98/75/171399875.db2.gz QOYRMJJXOBKIRK-UHFFFAOYSA-N 1 0 291.395 1.063 40 0 CDABRO [NH3+]C[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000044541943 175201681 /nfs/dbraw/zinc/20/16/81/175201681.db2.gz KXKOKZADWCPBEX-ZDUSSCGKSA-N 1 0 250.317 1.708 40 0 CDABRO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1COc2ccccc2O1 ZINC000047339089 175406764 /nfs/dbraw/zinc/40/67/64/175406764.db2.gz XEYJUDXHUNWZHZ-CQSZACIVSA-N 1 0 292.379 1.530 40 0 CDABRO Cn1ccnc1CNC(=O)c1cc([C@@H]2CCC[NH2+]2)ccn1 ZINC000072365714 176380927 /nfs/dbraw/zinc/38/09/27/176380927.db2.gz NNPYEBUAVOANIG-LBPRGKRZSA-N 1 0 285.351 1.170 40 0 CDABRO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(C)C ZINC000072367722 176382855 /nfs/dbraw/zinc/38/28/55/176382855.db2.gz KKADVFXPDFSQGJ-OAHLLOKOSA-N 1 0 275.396 1.327 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)cc1F ZINC000072397664 176394972 /nfs/dbraw/zinc/39/49/72/176394972.db2.gz VJVHQBVGMRIQIJ-LERXQTSPSA-N 1 0 282.334 1.604 40 0 CDABRO CCOc1ccccc1CN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C ZINC000072397639 176395177 /nfs/dbraw/zinc/39/51/77/176395177.db2.gz YHFBDIDDXVRNDG-FVQBIDKESA-N 1 0 290.407 1.725 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccccc1F ZINC000072397567 176395185 /nfs/dbraw/zinc/39/51/85/176395185.db2.gz NATSZFVMWUSTQR-FPMFFAJLSA-N 1 0 264.344 1.465 40 0 CDABRO CCOc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)cc1 ZINC000072397574 176395282 /nfs/dbraw/zinc/39/52/82/176395282.db2.gz QQIFUIXIROAAQF-CWRNSKLLSA-N 1 0 290.407 1.725 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(F)c1 ZINC000072397632 176395299 /nfs/dbraw/zinc/39/52/99/176395299.db2.gz JGYRAOGEWYUKGQ-KCPJHIHWSA-N 1 0 264.344 1.465 40 0 CDABRO CCNC(=O)N(CC[NH+](C)C)Cc1cccnc1 ZINC000077631807 177288583 /nfs/dbraw/zinc/28/85/83/177288583.db2.gz MCLLNGPXHPUOLB-UHFFFAOYSA-N 1 0 250.346 1.175 40 0 CDABRO Brc1ccc(CN2C[C@H]3C[C@@H]2C[NH2+]3)cc1 ZINC000019796116 273473067 /nfs/dbraw/zinc/47/30/67/273473067.db2.gz DFNLSVZTQANOAP-VXGBXAGGSA-N 1 0 267.170 1.995 40 0 CDABRO [NH3+][C@H]1CCCN(c2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000096515943 274962125 /nfs/dbraw/zinc/96/21/25/274962125.db2.gz YZAUHGVIBCTUDY-ZETCQYMHSA-N 1 0 286.261 1.071 40 0 CDABRO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000096057531 277252977 /nfs/dbraw/zinc/25/29/77/277252977.db2.gz WQQRBXLWWSGCEW-RBSFLKMASA-N 1 0 292.354 1.694 40 0 CDABRO CC(C)N(C(=O)C[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079390888 279274445 /nfs/dbraw/zinc/27/44/45/279274445.db2.gz KWLYSUYKVDQRRQ-NSHDSACASA-N 1 0 285.388 1.192 40 0 CDABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccccc1Br ZINC000062713669 527242309 /nfs/dbraw/zinc/24/23/09/527242309.db2.gz PXPSEJWVEOZNCR-KOLCDFICSA-N 1 0 256.143 1.874 40 0 CDABRO CO[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[C@@H]1C ZINC000230242250 536724255 /nfs/dbraw/zinc/72/42/55/536724255.db2.gz PCBLDZHLBYGNHO-VBNZEHGJSA-N 1 0 288.391 1.584 40 0 CDABRO COC1(C(=O)NC23CC[NH+](CC2)C3)CCC(F)(F)CC1 ZINC000913635554 630722331 /nfs/dbraw/zinc/72/23/31/630722331.db2.gz JSXWJCRYLGDSQN-UHFFFAOYSA-N 1 0 288.338 1.545 40 0 CDABRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](CCc1ccccc1)C2 ZINC000096038768 185069270 /nfs/dbraw/zinc/06/92/70/185069270.db2.gz VKUMSPGGQPKVBC-NVXWUHKLSA-N 1 0 288.391 1.456 40 0 CDABRO c1cnc(N[C@@H]2CO[C@@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096047751 185072338 /nfs/dbraw/zinc/07/23/38/185072338.db2.gz PUMJTAWIVWYEPX-ZFWWWQNUSA-N 1 0 274.368 1.532 40 0 CDABRO COCC(=O)N1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053907 185076795 /nfs/dbraw/zinc/07/67/95/185076795.db2.gz WIDKRHFQVQDGDN-ZIAGYGMSSA-N 1 0 292.354 1.362 40 0 CDABRO O=C(NCC1CC1)[C@@H]1CCC2(CC[NH+](CC3CC3)CC2)O1 ZINC000096061206 185082323 /nfs/dbraw/zinc/08/23/23/185082323.db2.gz VYXSWISCKIRVNP-HNNXBMFYSA-N 1 0 292.423 1.936 40 0 CDABRO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@@H]21 ZINC000096080551 185091095 /nfs/dbraw/zinc/09/10/95/185091095.db2.gz VGKQIWWCSFBJTP-KBPBESRZSA-N 1 0 259.353 1.494 40 0 CDABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCC(=O)N2)CC1 ZINC000096100162 185097473 /nfs/dbraw/zinc/09/74/73/185097473.db2.gz GSEBKCBPBPAWEZ-HNNXBMFYSA-N 1 0 277.368 1.926 40 0 CDABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCC(=O)N2)CC1 ZINC000096100161 185097596 /nfs/dbraw/zinc/09/75/96/185097596.db2.gz GSEBKCBPBPAWEZ-OAHLLOKOSA-N 1 0 277.368 1.926 40 0 CDABRO CC(C)(C)OC(=O)N1CCCC[C@H]1Cn1cc(C[NH3+])nn1 ZINC000409427270 342168635 /nfs/dbraw/zinc/16/86/35/342168635.db2.gz VMPLCEZSHKWZOB-LBPRGKRZSA-N 1 0 295.387 1.526 40 0 CDABRO [NH3+]CCC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585269258 342254553 /nfs/dbraw/zinc/25/45/53/342254553.db2.gz NDSKXGUYIHLZGI-KBPBESRZSA-N 1 0 296.798 1.583 40 0 CDABRO COC(=O)[C@@H](c1ccccc1F)N1CC[C@H](CCO)C1 ZINC000072687210 342427621 /nfs/dbraw/zinc/42/76/21/342427621.db2.gz SDGLQXFBKMFULS-BXUZGUMPSA-N 1 0 281.327 1.744 40 0 CDABRO O=C(C[NH+]1CCCC1)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000257221881 362577801 /nfs/dbraw/zinc/57/78/01/362577801.db2.gz DQYAJNDTKHQGOE-CQSZACIVSA-N 1 0 288.395 1.262 40 0 CDABRO CCN1CCO[C@H]2CC[N@H+](Cc3cccc(OC)n3)C[C@@H]21 ZINC000108524976 186220590 /nfs/dbraw/zinc/22/05/90/186220590.db2.gz VSYDPXCOZDCATF-GJZGRUSLSA-N 1 0 291.395 1.385 40 0 CDABRO C[C@@H]1C[C@H](NCc2nncn2-c2ccccc2)CC[N@@H+]1C ZINC000152621672 188032432 /nfs/dbraw/zinc/03/24/32/188032432.db2.gz BNZSPDSGMKDABE-ZIAGYGMSSA-N 1 0 285.395 1.840 40 0 CDABRO Brc1cccc(C[C@@H]2C[NH2+]CCO2)c1 ZINC000035823147 356051271 /nfs/dbraw/zinc/05/12/71/356051271.db2.gz JZSMLWHPLCJHPT-LLVKDONJSA-N 1 0 256.143 1.980 40 0 CDABRO COC[C@@H](O)C[N@@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000031659680 356767851 /nfs/dbraw/zinc/76/78/51/356767851.db2.gz XWZVOCAEMFSLBH-ZFWWWQNUSA-N 1 0 264.369 1.204 40 0 CDABRO COc1ccc(-c2n[nH]c(=O)cc2N2CC[NH2+]CC2)cc1 ZINC000034057935 356809900 /nfs/dbraw/zinc/80/99/00/356809900.db2.gz AGKACRHTHIFIMV-UHFFFAOYSA-N 1 0 286.335 1.267 40 0 CDABRO CN(CC[NH+]1CCCCC1)C(=O)CCc1csc(N)n1 ZINC000036753076 356880362 /nfs/dbraw/zinc/88/03/62/356880362.db2.gz YXGNNOMXPNCWSO-UHFFFAOYSA-N 1 0 296.440 1.602 40 0 CDABRO CN(C[C@H]1CC[N@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079410950 356993918 /nfs/dbraw/zinc/99/39/18/356993918.db2.gz IJYRZGMTUFEJPH-OAHLLOKOSA-N 1 0 292.379 1.569 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1CCCC[C@H](SC)C1 ZINC000157800812 357589922 /nfs/dbraw/zinc/58/99/22/357589922.db2.gz AGKDUBIYKWAHFW-QWRGUYRKSA-N 1 0 276.471 1.811 40 0 CDABRO COCCN1C(=O)CC[C@@]12CCC[N@H+](CC1CC1)CC2 ZINC000096047532 358706210 /nfs/dbraw/zinc/70/62/10/358706210.db2.gz JJHWOLJYFGNYML-MRXNPFEDSA-N 1 0 280.412 1.890 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3C)C2)cn1 ZINC000096049955 358707522 /nfs/dbraw/zinc/70/75/22/358707522.db2.gz JDBFWLALNHPJDF-OAHLLOKOSA-N 1 0 276.384 1.397 40 0 CDABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096158715 358710201 /nfs/dbraw/zinc/71/02/01/358710201.db2.gz JFOQNNVKNAYXMF-CQSZACIVSA-N 1 0 279.384 1.580 40 0 CDABRO C[C@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161632 358710939 /nfs/dbraw/zinc/71/09/39/358710939.db2.gz XBCJMRRVTVSQLB-TTZDDIAXSA-N 1 0 285.391 1.628 40 0 CDABRO CC(C)C[N@@H+]1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253127 358727981 /nfs/dbraw/zinc/72/79/81/358727981.db2.gz YQSJACQIVVWOOV-HZSPNIEDSA-N 1 0 266.385 1.400 40 0 CDABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](CC4CC4)C[C@@H]32)C(=O)N1 ZINC000096261570 358729656 /nfs/dbraw/zinc/72/96/56/358729656.db2.gz QJVUKNUPLUMXNO-TYNCELHUSA-N 1 0 261.369 1.415 40 0 CDABRO CN1CCO[C@@]2(CCC[N@H+](Cc3ccoc3)C2)C1 ZINC000096268629 358730627 /nfs/dbraw/zinc/73/06/27/358730627.db2.gz TVESNFLBFNZSSQ-AWEZNQCLSA-N 1 0 250.342 1.576 40 0 CDABRO COc1ccc(CCC(=O)NCC[NH+](C)C)cc1C ZINC000224547073 359513998 /nfs/dbraw/zinc/51/39/98/359513998.db2.gz XZUUUYDDSPKGQD-UHFFFAOYSA-N 1 0 264.369 1.614 40 0 CDABRO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)ccc1Cl ZINC000138329821 360862351 /nfs/dbraw/zinc/86/23/51/360862351.db2.gz DMSWJYSJOHMXPK-JTQLQIEISA-N 1 0 252.745 1.988 40 0 CDABRO C[C@@H](OC(=O)[C@@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000249693573 365191517 /nfs/dbraw/zinc/19/15/17/365191517.db2.gz OCXRKDNYHWNNCE-NXEZZACHSA-N 1 0 257.330 1.259 40 0 CDABRO COc1cccc(CN2CC[C@@]3(CC[NH2+]C3)C2=O)c1 ZINC000306135647 367314354 /nfs/dbraw/zinc/31/43/54/367314354.db2.gz OWTFCWOIVLCWIZ-OAHLLOKOSA-N 1 0 260.337 1.407 40 0 CDABRO [NH3+][C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)C1 ZINC000333130642 205055959 /nfs/dbraw/zinc/05/59/59/205055959.db2.gz JOERWKUVVVNSEK-NSHDSACASA-N 1 0 290.367 1.968 40 0 CDABRO COC(=O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H](C1)[NH2+]2 ZINC000265540506 291555711 /nfs/dbraw/zinc/55/57/11/291555711.db2.gz AGHLPBBEJOPZON-NEBACSHRSA-N 1 0 298.383 1.583 40 0 CDABRO CCOc1ccc(OCc2noc(CC[NH3+])n2)cc1 ZINC000019786280 374008766 /nfs/dbraw/zinc/00/87/66/374008766.db2.gz SOOHPGPQSAJAEZ-UHFFFAOYSA-N 1 0 263.297 1.549 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C ZINC000004476505 374316135 /nfs/dbraw/zinc/31/61/35/374316135.db2.gz NTXDKFXUCDASQF-CYBMUJFWSA-N 1 0 289.379 1.534 40 0 CDABRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000078664090 374710706 /nfs/dbraw/zinc/71/07/06/374710706.db2.gz QGXADEHNRWSRTO-CQSZACIVSA-N 1 0 294.830 1.951 40 0 CDABRO O=C(c1cccnn1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257227512 190015520 /nfs/dbraw/zinc/01/55/20/190015520.db2.gz FPQMELMQEJNBAZ-WCQYABFASA-N 1 0 260.341 1.081 40 0 CDABRO Cc1ccc(C(=O)N2CC[C@](O)(C[NH+]3CCCC3)C2)s1 ZINC000257229479 190015855 /nfs/dbraw/zinc/01/58/55/190015855.db2.gz FYGWXHYMSAIUEH-HNNXBMFYSA-N 1 0 294.420 1.729 40 0 CDABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cnc(C)nc1 ZINC000257229510 190016047 /nfs/dbraw/zinc/01/60/47/190016047.db2.gz FYJHERJMUVVALL-INIZCTEOSA-N 1 0 298.390 1.940 40 0 CDABRO c1cnc(Nc2cncc([C@H]3CCC[NH2+]C3)n2)cn1 ZINC000257220312 190014859 /nfs/dbraw/zinc/01/48/59/190014859.db2.gz DKIZDRWXVHBQRT-JTQLQIEISA-N 1 0 256.313 1.477 40 0 CDABRO CC(C)([NH3+])C(=O)N1CCO[C@H](Cc2ccc(Cl)cc2)C1 ZINC000257224969 190015284 /nfs/dbraw/zinc/01/52/84/190015284.db2.gz FEEDAWLVXSWWFA-CYBMUJFWSA-N 1 0 296.798 1.847 40 0 CDABRO Cc1cc(Nc2ncc(F)c(CC3CC[NH2+]CC3)n2)n[nH]1 ZINC000257232814 190017399 /nfs/dbraw/zinc/01/73/99/190017399.db2.gz GMNSILUWJZCRQJ-UHFFFAOYSA-N 1 0 290.346 1.933 40 0 CDABRO CCn1nccc1-c1cc(C[C@@H]2CC[NH2+]C2)ncn1 ZINC000257247186 190019204 /nfs/dbraw/zinc/01/92/04/190019204.db2.gz IXVUJUWJXUIFPZ-NSHDSACASA-N 1 0 257.341 1.512 40 0 CDABRO CO[C@H]1C[N@H+](Cc2cncs2)CC[C@@]12CCCO2 ZINC000257252027 190020071 /nfs/dbraw/zinc/02/00/71/190020071.db2.gz JTGVSCICZWNZHH-STQMWFEESA-N 1 0 268.382 1.913 40 0 CDABRO Cc1ncc(-c2cc([C@H]3CC[NH2+]C3)nc(C)n2)n1C ZINC000257256381 190021496 /nfs/dbraw/zinc/02/14/96/190021496.db2.gz KLFLNFBPYQKGBN-NSHDSACASA-N 1 0 257.341 1.571 40 0 CDABRO Cc1ccnn1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257284447 190026253 /nfs/dbraw/zinc/02/62/53/190026253.db2.gz PCTGDFYJXGNISM-MRXNPFEDSA-N 1 0 298.390 1.755 40 0 CDABRO O=C1CO[C@H]2CC[N@H+](CCOc3ccccc3)CC[C@@H]2N1 ZINC000257296655 190028362 /nfs/dbraw/zinc/02/83/62/190028362.db2.gz RDTMRUNSLRCQMC-GJZGRUSLSA-N 1 0 290.363 1.045 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3cc[nH]n3)C2)CC1 ZINC000257326862 190035007 /nfs/dbraw/zinc/03/50/07/190035007.db2.gz WYXZTKREYNWUPJ-LBPRGKRZSA-N 1 0 262.357 1.210 40 0 CDABRO OCCc1cc([C@H]2CC[N@@H+](C3CCCC3)C2)no1 ZINC000257326524 190035201 /nfs/dbraw/zinc/03/52/01/190035201.db2.gz WXNJTROKYPDEQG-NSHDSACASA-N 1 0 250.342 1.941 40 0 CDABRO COc1ccccc1C(=O)N1C[C@H]2CCCC[NH2+][C@@H]2C1 ZINC000257330543 190035744 /nfs/dbraw/zinc/03/57/44/190035744.db2.gz XOVDLECQNLFZBE-TZMCWYRMSA-N 1 0 274.364 1.909 40 0 CDABRO CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000010384255 378649558 /nfs/dbraw/zinc/64/95/58/378649558.db2.gz CFNYZYURLSXHPV-STQMWFEESA-N 1 0 253.342 1.095 40 0 CDABRO c1cnc(N2CCC3(C2)CC[NH+]([C@H]2CCOC2)CC3)nc1 ZINC000096157544 256813390 /nfs/dbraw/zinc/81/33/90/256813390.db2.gz RFSHLCHHKRIFFE-AWEZNQCLSA-N 1 0 288.395 1.558 40 0 CDABRO CCN(Cc1cnn(CC)c1)C[C@@H]1CCCC[NH2+]1 ZINC000096523999 390537483 /nfs/dbraw/zinc/53/74/83/390537483.db2.gz MDXYRUORADICMV-AWEZNQCLSA-N 1 0 250.390 1.867 40 0 CDABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccn1)C2 ZINC000096061780 390912384 /nfs/dbraw/zinc/91/23/84/390912384.db2.gz UYMACCNCFQRPAP-UHFFFAOYSA-N 1 0 286.383 1.534 40 0 CDABRO [NH3+][C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242648319 391943740 /nfs/dbraw/zinc/94/37/40/391943740.db2.gz QSGXPGZAIDUJBB-RBSFLKMASA-N 1 0 273.357 1.954 40 0 CDABRO CC(C)n1c(=O)c2cccnc2nc1[C@@H]1CCC[NH2+]1 ZINC000242723188 391944697 /nfs/dbraw/zinc/94/46/97/391944697.db2.gz YFPSAYKSGHTCSU-NSHDSACASA-N 1 0 258.325 1.797 40 0 CDABRO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[NH2+]C[C@H]32)cs1 ZINC000306122999 392105276 /nfs/dbraw/zinc/10/52/76/392105276.db2.gz ABYASKGHFRDLRT-QWHCGFSZSA-N 1 0 288.376 1.422 40 0 CDABRO Cc1cc(N2CCC[C@@](O)(C[NH3+])C2)c2cnccc2n1 ZINC000257242855 392978471 /nfs/dbraw/zinc/97/84/71/392978471.db2.gz IELZJQAXHRGLIL-OAHLLOKOSA-N 1 0 272.352 1.228 40 0 CDABRO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000257268531 397607440 /nfs/dbraw/zinc/60/74/40/397607440.db2.gz MMDFPRSBRSXUEL-CYBMUJFWSA-N 1 0 262.401 1.992 40 0 CDABRO CCCC[NH+](CCC(=O)OCC)CCC(=O)OCC ZINC000004720807 170004713 /nfs/dbraw/zinc/00/47/13/170004713.db2.gz BBLPVHVOBMMCDC-UHFFFAOYSA-N 1 0 273.373 1.995 40 0 CDABRO O=NN(Cc1ccc(Cl)cc1)[NH+]=C1NCCN1 ZINC000005395802 170094784 /nfs/dbraw/zinc/09/47/84/170094784.db2.gz VIHXGRJEGOUOIP-UHFFFAOYSA-N 1 0 253.693 1.287 40 0 CDABRO COc1cccc(OC)c1C(=O)NCCC[NH+](C)C ZINC000005508978 170105590 /nfs/dbraw/zinc/10/55/90/170105590.db2.gz BSPCQSKKGSSGPP-UHFFFAOYSA-N 1 0 266.341 1.385 40 0 CDABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000006455484 170202359 /nfs/dbraw/zinc/20/23/59/170202359.db2.gz UFYFVTDYNMFGOB-SNVBAGLBSA-N 1 0 270.760 1.785 40 0 CDABRO COc1ccccc1/C=C/C(=O)NCCC[NH+](C)C ZINC000013669462 170575232 /nfs/dbraw/zinc/57/52/32/170575232.db2.gz QXTPMQRRYYDSQV-MDZDMXLPSA-N 1 0 262.353 1.776 40 0 CDABRO CCCC(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019501630 170815356 /nfs/dbraw/zinc/81/53/56/170815356.db2.gz WMVYGTWLRJMNCM-GFCCVEGCSA-N 1 0 288.395 1.628 40 0 CDABRO COC(=O)[C@@H](C)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000047219172 175405479 /nfs/dbraw/zinc/40/54/79/175405479.db2.gz WDCROSLVTPPBEJ-VIFPVBQESA-N 1 0 251.282 1.314 40 0 CDABRO CNC(=O)[C@]1(C)CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000072346329 176373117 /nfs/dbraw/zinc/37/31/17/176373117.db2.gz YAHYBSMPIJHZQM-CQSZACIVSA-N 1 0 264.373 1.077 40 0 CDABRO COCCN1CCCC[C@H](C2CC[NH2+]CC2)C1=O ZINC000072353587 176374071 /nfs/dbraw/zinc/37/40/71/176374071.db2.gz TUNNHGOKQUSMQE-CYBMUJFWSA-N 1 0 254.374 1.261 40 0 CDABRO C[NH+]1CCC(Cc2cncc(Nc3cnccn3)n2)CC1 ZINC000072355012 176375140 /nfs/dbraw/zinc/37/51/40/176375140.db2.gz MRDIOLMCNPBZGQ-UHFFFAOYSA-N 1 0 284.367 1.895 40 0 CDABRO CCc1nccn1-c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000072380742 176387272 /nfs/dbraw/zinc/38/72/72/176387272.db2.gz BPWCPVVNDIOADU-LLVKDONJSA-N 1 0 257.341 1.692 40 0 CDABRO COc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)cc1 ZINC000072397570 176394753 /nfs/dbraw/zinc/39/47/53/176394753.db2.gz VXPYDZKZWJSQAM-NWANDNLSSA-N 1 0 276.380 1.335 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000242522451 261253931 /nfs/dbraw/zinc/25/39/31/261253931.db2.gz ITJISYGAMQNLNP-HAQNSBGRSA-N 1 0 299.415 1.630 40 0 CDABRO C[N@H+]1Cc2cccn2C[C@H](OCc2ccccn2)C1 ZINC000248140151 277213223 /nfs/dbraw/zinc/21/32/23/277213223.db2.gz QABPXBSHNGWTSY-OAHLLOKOSA-N 1 0 257.337 1.914 40 0 CDABRO CC(C)(C)OC(=O)N1CC2(C[C@H]1CO)CC[NH2+]CC2 ZINC000095496195 278380709 /nfs/dbraw/zinc/38/07/09/278380709.db2.gz QECKWMUZAFIVRS-NSHDSACASA-N 1 0 270.373 1.358 40 0 CDABRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000040468062 278525728 /nfs/dbraw/zinc/52/57/28/278525728.db2.gz KIEBJMGMGMYFHN-GRYCIOLGSA-N 1 0 254.374 1.530 40 0 CDABRO CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)[NH3+] ZINC000079391250 279221460 /nfs/dbraw/zinc/22/14/60/279221460.db2.gz PUJKMNIFCDUXSQ-RYUDHWBXSA-N 1 0 299.415 1.439 40 0 CDABRO CC(C)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)C[NH3+] ZINC000079391100 279456948 /nfs/dbraw/zinc/45/69/48/279456948.db2.gz NCFPODCRYHLXNZ-GFCCVEGCSA-N 1 0 299.415 1.582 40 0 CDABRO Cc1csc(CN2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)n1 ZINC000247974966 293029822 /nfs/dbraw/zinc/02/98/22/293029822.db2.gz IEZYPNPRNLPPHP-JHJVBQTASA-N 1 0 281.425 1.460 40 0 CDABRO c1ccc(OCC[NH2+]Cc2cnc(N3CCCC3)nc2)nc1 ZINC000062717832 327915125 /nfs/dbraw/zinc/91/51/25/327915125.db2.gz NJTZPGBVMXZTNP-UHFFFAOYSA-N 1 0 299.378 1.640 40 0 CDABRO CC(C)Nc1ncc(C[NH2+]CCCCCO)cn1 ZINC000062717651 333176140 /nfs/dbraw/zinc/17/61/40/333176140.db2.gz DJUXJDWNPAQJFT-UHFFFAOYSA-N 1 0 252.362 1.549 40 0 CDABRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172240392 482497869 /nfs/dbraw/zinc/49/78/69/482497869.db2.gz URZDKIIIHARTFL-NDBYEHHHSA-N 1 0 252.358 1.297 40 0 CDABRO CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCSC)CCO1 ZINC000158056705 527781698 /nfs/dbraw/zinc/78/16/98/527781698.db2.gz JIMNUTUPCVBHIQ-MNOVXSKESA-N 1 0 260.403 1.094 40 0 CDABRO COc1cc(NC2CC[NH+](C(C)C)CC2)ncn1 ZINC000120746158 1175196723 /nfs/dbraw/zinc/19/67/23/1175196723.db2.gz XQQNFQZLSXDVFD-UHFFFAOYSA-N 1 0 250.346 1.770 40 0 CDABRO CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[NH2+]C2)N1C(=O)OC(C)(C)C ZINC000238797207 1180258437 /nfs/dbraw/zinc/25/84/37/1180258437.db2.gz IMALXXQBKVAKSL-VWYCJHECSA-N 1 0 284.356 1.147 40 0 CDABRO C[N@H+](Cc1[nH]nc2c1COCC2)[C@H]1CCSC1 ZINC000930093855 728467271 /nfs/dbraw/zinc/46/72/71/728467271.db2.gz NRERYHDNKMLWGS-VIFPVBQESA-N 1 0 253.371 1.420 40 0 CDABRO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@@H](C[NH+]3CCCCC3)[C@H]2C1 ZINC000575405196 342451873 /nfs/dbraw/zinc/45/18/73/342451873.db2.gz GUFYFOHXHKOALJ-IBEHDNSVSA-N 1 0 292.423 1.602 40 0 CDABRO COc1cc(OC)c2nc(C)cc(NCC[NH3+])c2c1 ZINC000222691073 230398283 /nfs/dbraw/zinc/39/82/83/230398283.db2.gz VQVGNMKRHSDVJQ-UHFFFAOYSA-N 1 0 261.325 1.931 40 0 CDABRO CC(C)(C)OC(=O)N1CCOCC12CC[NH2+]CC2 ZINC000096028358 185067336 /nfs/dbraw/zinc/06/73/36/185067336.db2.gz LNGPEAVAOLYRPC-UHFFFAOYSA-N 1 0 256.346 1.376 40 0 CDABRO COCCN1CCC2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096046789 185071136 /nfs/dbraw/zinc/07/11/36/185071136.db2.gz GAYDXVRBHMIESA-UHFFFAOYSA-N 1 0 292.379 1.741 40 0 CDABRO Fc1cccc(C[NH2+]C[C@H]2Cn3nncc3CO2)c1 ZINC000096069257 185085107 /nfs/dbraw/zinc/08/51/07/185085107.db2.gz YUUYGPGETZPGDG-ZDUSSCGKSA-N 1 0 262.288 1.106 40 0 CDABRO CN(C)C(=O)CN1CCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096077976 185089772 /nfs/dbraw/zinc/08/97/72/185089772.db2.gz QYFWYAMUZCMPQG-UHFFFAOYSA-N 1 0 291.395 1.408 40 0 CDABRO C[N@H+]1Cc2cccn2C[C@H](CC(=O)NCc2ccco2)C1 ZINC000585099113 342212224 /nfs/dbraw/zinc/21/22/24/342212224.db2.gz MTVAOTRLWPGJOW-CYBMUJFWSA-N 1 0 287.363 1.849 40 0 CDABRO Cc1ccc(C[C@@H]2C[N@H+](CCC(N)=O)CC[C@@H]2O)cc1 ZINC000585274963 342256029 /nfs/dbraw/zinc/25/60/29/342256029.db2.gz SGQYCESPRXAMLF-CABCVRRESA-N 1 0 276.380 1.096 40 0 CDABRO CNC(=O)C[C@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1OC ZINC000585275968 342256191 /nfs/dbraw/zinc/25/61/91/342256191.db2.gz BXXZNKAGLAWUKO-HOTGVXAUSA-N 1 0 290.407 1.702 40 0 CDABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2CC1(O)CCOCC1 ZINC000585284679 342258560 /nfs/dbraw/zinc/25/85/60/342258560.db2.gz VASQHOGQWSYOPG-HUUCEWRRSA-N 1 0 296.411 1.003 40 0 CDABRO C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000247962401 362140260 /nfs/dbraw/zinc/14/02/60/362140260.db2.gz FWARSUXQPVHYOF-GJZGRUSLSA-N 1 0 262.353 1.961 40 0 CDABRO O=S(=O)(NNC1=[NH+]CCCCC1)c1ccccc1 ZINC000003179311 346033956 /nfs/dbraw/zinc/03/39/56/346033956.db2.gz SLRNQQCAMJCQKW-UHFFFAOYSA-N 1 0 267.354 1.442 40 0 CDABRO CN1c2ccccc2C2(CC[NH2+]CC2)S1(=O)=O ZINC000139749276 348742469 /nfs/dbraw/zinc/74/24/69/348742469.db2.gz DJHNMUFUBZWHAK-UHFFFAOYSA-N 1 0 252.339 1.045 40 0 CDABRO C[NH+](C)[C@@H]1CCOC2(CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC000108530590 186222329 /nfs/dbraw/zinc/22/23/29/186222329.db2.gz RZEHDLRMIKPHGR-UONOGXRCSA-N 1 0 296.411 1.125 40 0 CDABRO CC[C@@H](C)[NH2+]Cc1ccc(OCCO)c(OC)c1 ZINC000013730848 356354549 /nfs/dbraw/zinc/35/45/49/356354549.db2.gz CBMNMPOXNNIVHP-LLVKDONJSA-N 1 0 253.342 1.954 40 0 CDABRO Nc1c(C(=O)C2CC[NH2+]CC2)cnn1-c1ccccc1 ZINC000019374464 356483713 /nfs/dbraw/zinc/48/37/13/356483713.db2.gz JEHABYNTRDNPMH-UHFFFAOYSA-N 1 0 270.336 1.637 40 0 CDABRO CCCC(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019501631 356488117 /nfs/dbraw/zinc/48/81/17/356488117.db2.gz WMVYGTWLRJMNCM-LBPRGKRZSA-N 1 0 288.395 1.628 40 0 CDABRO OCC[NH2+]CCNCc1ccc(Br)cc1 ZINC000023263537 356639214 /nfs/dbraw/zinc/63/92/14/356639214.db2.gz DCBFMNCHYYKNSK-UHFFFAOYSA-N 1 0 273.174 1.121 40 0 CDABRO CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)C[NH3+] ZINC000079390822 356988588 /nfs/dbraw/zinc/98/85/88/356988588.db2.gz WENYUFHTADEKFD-LLVKDONJSA-N 1 0 285.388 1.051 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccnc(Br)c1 ZINC000079430897 356996410 /nfs/dbraw/zinc/99/64/10/356996410.db2.gz SDWLQYLNGJAJEW-JTQLQIEISA-N 1 0 286.173 1.444 40 0 CDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(Br)c1 ZINC000054370686 357319483 /nfs/dbraw/zinc/31/94/83/357319483.db2.gz IVDRHFORCYXHQD-SECBINFHSA-N 1 0 283.169 1.883 40 0 CDABRO C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OC(=O)[C@@H](CO)c2ccccc2)[N@@H+]1C ZINC000064219004 357521595 /nfs/dbraw/zinc/52/15/95/357521595.db2.gz UCNICTRUGOWRPO-AKSVOJBYSA-N 1 0 289.375 1.787 40 0 CDABRO O=c1cc2c(nn1Cc1ccccc1Cl)CC[NH2+]C2 ZINC000063169775 358569545 /nfs/dbraw/zinc/56/95/45/358569545.db2.gz ORUYAPGYZKFEOK-UHFFFAOYSA-N 1 0 275.739 1.591 40 0 CDABRO COC(=O)CN1CCC([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000136962309 358762944 /nfs/dbraw/zinc/76/29/44/358762944.db2.gz LJSNQFLNZDRDIQ-HUUCEWRRSA-N 1 0 296.411 1.171 40 0 CDABRO CC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000096268724 358730988 /nfs/dbraw/zinc/73/09/88/358730988.db2.gz OBSBYWZZUYLNOL-LSDHHAIUSA-N 1 0 266.385 1.357 40 0 CDABRO NC(=[NH2+])[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000260613222 359824886 /nfs/dbraw/zinc/82/48/86/359824886.db2.gz DYIWQOXKOMXSHY-AWEZNQCLSA-N 1 0 293.326 1.830 40 0 CDABRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000238049932 360710778 /nfs/dbraw/zinc/71/07/78/360710778.db2.gz IKSCGTWUIKLIEA-OAHLLOKOSA-N 1 0 284.363 1.495 40 0 CDABRO COc1ccccc1NC(=O)CSC1=[NH+]CCN1 ZINC000001009663 364274535 /nfs/dbraw/zinc/27/45/35/364274535.db2.gz ZHDMFWCPXKTFRY-UHFFFAOYSA-N 1 0 265.338 1.326 40 0 CDABRO C[NH+]1CCN(c2ccccc2NC(N)=S)CC1 ZINC000006228387 367179350 /nfs/dbraw/zinc/17/93/50/367179350.db2.gz NFRZHXOKRVFERQ-UHFFFAOYSA-N 1 0 250.371 1.094 40 0 CDABRO Cc1c(NC(=O)N[C@H]2CCC[NH2+]C2)cnn1CC(C)C ZINC000333230017 205135050 /nfs/dbraw/zinc/13/50/50/205135050.db2.gz YAPFDGLOTKZQBJ-LBPRGKRZSA-N 1 0 279.388 1.721 40 0 CDABRO COC[C@]1(C(=O)N2CCC([C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000333264023 205165914 /nfs/dbraw/zinc/16/59/14/205165914.db2.gz JHECXKNAXJVGNC-HOCLYGCPSA-N 1 0 296.411 1.030 40 0 CDABRO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333756641 205674298 /nfs/dbraw/zinc/67/42/98/205674298.db2.gz ZVQKCAHMLMCMEN-SOUVJXGZSA-N 1 0 297.443 1.975 40 0 CDABRO O=c1ccc(-c2ccco2)nn1CC1CC[NH2+]CC1 ZINC000257197498 190010417 /nfs/dbraw/zinc/01/04/17/190010417.db2.gz BGFZUPKFLVQXPO-UHFFFAOYSA-N 1 0 259.309 1.503 40 0 CDABRO Cc1nc(Nc2ncccc2C)cc(C2C[NH2+]C2)n1 ZINC000257203081 190011442 /nfs/dbraw/zinc/01/14/42/190011442.db2.gz AOOYQAZCOYYFTA-UHFFFAOYSA-N 1 0 255.325 1.919 40 0 CDABRO CCCn1nccc1-c1cncc(C[C@@H]2CC[NH2+]C2)n1 ZINC000257250811 190020188 /nfs/dbraw/zinc/02/01/88/190020188.db2.gz JOCIXQKBRUDXPX-LBPRGKRZSA-N 1 0 271.368 1.902 40 0 CDABRO COCCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+]C2 ZINC000257267096 190023276 /nfs/dbraw/zinc/02/32/76/190023276.db2.gz MFYDWMQOZLUMEM-KNCOVGOOSA-N 1 0 296.411 1.171 40 0 CDABRO C[C@]12CCCN(C(=O)c3ccccn3)[C@@H]1CCC[NH2+]2 ZINC000257278420 190025421 /nfs/dbraw/zinc/02/54/21/190025421.db2.gz OCETUQZTYAYJAH-HIFRSBDPSA-N 1 0 259.353 1.828 40 0 CDABRO CO[C@H]1C[N@H+](Cc2ncccc2C)C[C@@]12CCCO2 ZINC000257273725 190024746 /nfs/dbraw/zinc/02/47/46/190024746.db2.gz NHXKMJVADYTOJL-GJZGRUSLSA-N 1 0 262.353 1.770 40 0 CDABRO CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000010384274 378649836 /nfs/dbraw/zinc/64/98/36/378649836.db2.gz CFNYZYURLSXHPV-CHWSQXEVSA-N 1 0 253.342 1.095 40 0 CDABRO Cc1c[nH]c(C[NH2+][C@@H]2COc3cc(F)ccc3C2)n1 ZINC000657674330 412969909 /nfs/dbraw/zinc/96/99/09/412969909.db2.gz FSLWSZIIDXHUKM-LBPRGKRZSA-N 1 0 261.300 1.951 40 0 CDABRO COC(=O)[C@@H]1C[C@@]2(c3ccccc3NC2=O)[N@@H+]2CCC[C@H]12 ZINC000062716012 256723368 /nfs/dbraw/zinc/72/33/68/256723368.db2.gz GILNPVJKDQWNGY-ZXIHIIQKSA-N 1 0 286.331 1.491 40 0 CDABRO Cc1nn(C)c(C)c1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000095095287 184942420 /nfs/dbraw/zinc/94/24/20/184942420.db2.gz VOHNPLLJRLOJGG-JTQLQIEISA-N 1 0 261.329 1.554 40 0 CDABRO C[C@H]1CCc2[nH]nc(C(=O)N[C@H]3C[NH+]4CCC3CC4)c2C1 ZINC000012146883 390202353 /nfs/dbraw/zinc/20/23/53/390202353.db2.gz IPZMEBHLTDWGEL-HZMBPMFUSA-N 1 0 288.395 1.359 40 0 CDABRO Cc1nn(C)c(C)c1CN(C)C[C@@H]1CCCC[NH2+]1 ZINC000096524003 390537697 /nfs/dbraw/zinc/53/76/97/390537697.db2.gz WWRVPTYTVDOYGH-ZDUSSCGKSA-N 1 0 250.390 1.611 40 0 CDABRO CN(C)CC(=O)N1c2ccccc2[C@@H]2C[NH2+]CC[C@H]21 ZINC000096157347 390913295 /nfs/dbraw/zinc/91/32/95/390913295.db2.gz DPJCOXYAUDKBSN-GXTWGEPZSA-N 1 0 259.353 1.040 40 0 CDABRO Cc1ccc(NC(=O)C2=NO[C@]3(CC[NH2+]C3)C2)cc1 ZINC000096157288 390913328 /nfs/dbraw/zinc/91/33/28/390913328.db2.gz RRPWGDVGMKETHY-CQSZACIVSA-N 1 0 259.309 1.442 40 0 CDABRO CC(C)CC[N@@H+]1C[C@@H]2[C@H](C1)N(C)C(=O)c1cccn12 ZINC000306123447 392106410 /nfs/dbraw/zinc/10/64/10/392106410.db2.gz ANEFRZGDMJIKNJ-UONOGXRCSA-N 1 0 261.369 1.845 40 0 CDABRO CCc1ccc([C@@H]2[C@@H](C[NH3+])[C@H]2S(=O)(=O)CC)cc1 ZINC000252515733 392797088 /nfs/dbraw/zinc/79/70/88/392797088.db2.gz NBBAEOSFOGDZKE-MGPQQGTHSA-N 1 0 267.394 1.724 40 0 CDABRO Cc1c(C[NH2+]CCCN2CCOCC2)cnn1C(C)C ZINC000256052704 397603961 /nfs/dbraw/zinc/60/39/61/397603961.db2.gz OIEJTCFGQYNTKG-UHFFFAOYSA-N 1 0 280.416 1.584 40 0 CDABRO Cn1cc(C[NH2+]C2CCC3(CCC(=O)N3)CC2)cn1 ZINC000096075804 398069572 /nfs/dbraw/zinc/06/95/72/398069572.db2.gz CPXLJJNDRIHWMX-UHFFFAOYSA-N 1 0 262.357 1.101 40 0 CDABRO CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1C ZINC000002710252 169821539 /nfs/dbraw/zinc/82/15/39/169821539.db2.gz FOOBAHXAMONGOR-CHWSQXEVSA-N 1 0 253.342 1.095 40 0 CDABRO COc1ccc(OC)c([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022162124 171364261 /nfs/dbraw/zinc/36/42/61/171364261.db2.gz QTTXXVGVYBTEEU-TYNCELHUSA-N 1 0 294.395 1.813 40 0 CDABRO [NH3+]C1CCN(C(=O)c2cccc3c2OCCO3)CC1 ZINC000036329251 172613978 /nfs/dbraw/zinc/61/39/78/172613978.db2.gz KQAQWJSHHVJDAV-UHFFFAOYSA-N 1 0 262.309 1.021 40 0 CDABRO C[NH2+]C1CCN(C(=O)c2cccc3c2OCCO3)CC1 ZINC000037536401 173255261 /nfs/dbraw/zinc/25/52/61/173255261.db2.gz UHCFPRRMCPLCDO-UHFFFAOYSA-N 1 0 276.336 1.282 40 0 CDABRO O=C(OCc1ccccc1)N1CCC[N@@H+](CCO)CC1 ZINC000070913610 176011064 /nfs/dbraw/zinc/01/10/64/176011064.db2.gz UJCGKHMDNMZMAF-UHFFFAOYSA-N 1 0 278.352 1.323 40 0 CDABRO Cc1ccccc1-c1cc(C(=O)N2CCC([NH3+])CC2)[nH]n1 ZINC000072221290 176343311 /nfs/dbraw/zinc/34/33/11/176343311.db2.gz RTGGRQQWFBZYOC-UHFFFAOYSA-N 1 0 284.363 1.948 40 0 CDABRO C[C@@]1(C(=O)N2CCC(Cc3cccnn3)CC2)CCC[NH2+]1 ZINC000072367353 176381625 /nfs/dbraw/zinc/38/16/25/176381625.db2.gz UJWFJVQUFUZVMC-INIZCTEOSA-N 1 0 288.395 1.400 40 0 CDABRO Cc1cc(C(=O)NCC(C)C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072369338 176384206 /nfs/dbraw/zinc/38/42/06/176384206.db2.gz HVPONFVGTHVKAU-CYBMUJFWSA-N 1 0 290.411 1.980 40 0 CDABRO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072369723 176384380 /nfs/dbraw/zinc/38/43/80/176384380.db2.gz DJBQCHLLMLJBCP-CQSZACIVSA-N 1 0 271.368 1.816 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1CCCc1ccccc1 ZINC000072397587 176395173 /nfs/dbraw/zinc/39/51/73/176395173.db2.gz FRDMDTTUQBHAQV-BHYGNILZSA-N 1 0 274.408 1.759 40 0 CDABRO CCCC[NH+]1CCC2(CC1)C(=O)NC(=S)NC2=O ZINC000033567417 275976335 /nfs/dbraw/zinc/97/63/35/275976335.db2.gz JNRUPLYOYSPTGQ-UHFFFAOYSA-N 1 0 269.370 1.240 40 0 CDABRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000040468064 277248569 /nfs/dbraw/zinc/24/85/69/277248569.db2.gz KIEBJMGMGMYFHN-IJLUTSLNSA-N 1 0 254.374 1.530 40 0 CDABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)N3CCCC3)C2)C1 ZINC000096049621 279382659 /nfs/dbraw/zinc/38/26/59/279382659.db2.gz WSAZDTAKHVDRCR-MRXNPFEDSA-N 1 0 295.427 1.637 40 0 CDABRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nn1 ZINC000235556970 525790552 /nfs/dbraw/zinc/79/05/52/525790552.db2.gz BROGULXAPOOAFX-AAEUAGOBSA-N 1 0 252.362 1.331 40 0 CDABRO Cn1cc(-c2cnn3c2nc([C@H]2CCC[NH2+]C2)cc3N)cn1 ZINC000066252378 527138284 /nfs/dbraw/zinc/13/82/84/527138284.db2.gz XSORFODKYDJTGR-JTQLQIEISA-N 1 0 297.366 1.179 40 0 CDABRO COc1ccc(C(=O)NCCC[NH+](C)C)cc1F ZINC000074946732 567903714 /nfs/dbraw/zinc/90/37/14/567903714.db2.gz YCFCBSUPYCKCNS-UHFFFAOYSA-N 1 0 254.305 1.516 40 0 CDABRO C[C@@H]1CC[N@H+](C)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC000214489686 1175811740 /nfs/dbraw/zinc/81/17/40/1175811740.db2.gz UCFDYZNTNVHTGH-PWSUYJOCSA-N 1 0 259.357 1.734 40 0 CDABRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncccn1)CC2 ZINC000096067890 720548308 /nfs/dbraw/zinc/54/83/08/720548308.db2.gz ZNNNRYCQWKGHGO-UHFFFAOYSA-N 1 0 298.394 1.332 40 0 CDABRO O=S(=O)(c1ccc(Cl)cc1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000096054078 185076333 /nfs/dbraw/zinc/07/63/33/185076333.db2.gz QKJBHWJQCHLOGU-JOYOIKCWSA-N 1 0 286.784 1.322 40 0 CDABRO C[NH+](C)[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096056318 185078165 /nfs/dbraw/zinc/07/81/65/185078165.db2.gz HXDYWQZZVBLPBV-WZRBSPASSA-N 1 0 267.398 1.437 40 0 CDABRO CCO[C@@H]1C[C@H]2CN(C(=O)c3cscn3)CC[N@@H+]2C1 ZINC000096063741 185084376 /nfs/dbraw/zinc/08/43/76/185084376.db2.gz AQGOYKZYLWICOO-WDEREUQCSA-N 1 0 281.381 1.078 40 0 CDABRO C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000096078529 185089023 /nfs/dbraw/zinc/08/90/23/185089023.db2.gz WBZVGICNINLORA-HZPDHXFCSA-N 1 0 294.395 1.449 40 0 CDABRO COCC[N@@H+]1CC[C@]12CCN(C(=O)c1cccc(F)c1)C2 ZINC000096075966 185089483 /nfs/dbraw/zinc/08/94/83/185089483.db2.gz KOWAMVOFWIMZLT-INIZCTEOSA-N 1 0 292.354 1.763 40 0 CDABRO Cn1ccnc1CN1CC[C@]2(CC[N@@H+]2CC2CC2)C1 ZINC000096075979 185089596 /nfs/dbraw/zinc/08/95/96/185089596.db2.gz FEUCKHMQSMPEEL-HNNXBMFYSA-N 1 0 260.385 1.480 40 0 CDABRO CCCCC[NH+]1C[C@@H]2CN(C(=O)CCC(=O)OC)C[C@H]2C1 ZINC000096080936 185090884 /nfs/dbraw/zinc/09/08/84/185090884.db2.gz YLIGBGOIVQTRPB-ZIAGYGMSSA-N 1 0 296.411 1.520 40 0 CDABRO C[NH+]1CCC2(C[C@@H](OCc3ccccn3)CO2)CC1 ZINC000096106921 185099285 /nfs/dbraw/zinc/09/92/85/185099285.db2.gz ISJGITCNANNIFI-CQSZACIVSA-N 1 0 262.353 1.852 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccsc1)CC[C@H]2OC ZINC000096108517 185099676 /nfs/dbraw/zinc/09/96/76/185099676.db2.gz OREWWAGSTKVMET-BFHYXJOUSA-N 1 0 294.420 1.929 40 0 CDABRO C[C@@H]1c2ncc(COCC(=O)N3CCCC3)n2CC[N@H+]1C ZINC000096109814 185100329 /nfs/dbraw/zinc/10/03/29/185100329.db2.gz OWKBJCIEDUOZQE-GFCCVEGCSA-N 1 0 292.383 1.029 40 0 CDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(CC2CCOCC2)C1 ZINC000096059190 282141143 /nfs/dbraw/zinc/14/11/43/282141143.db2.gz OVWLKNHCPWJCNN-OAHLLOKOSA-N 1 0 292.427 1.303 40 0 CDABRO CC[NH+](CC)C[C@@H]1CN(C(=O)CSC)Cc2ccnn21 ZINC000585095377 342211412 /nfs/dbraw/zinc/21/14/12/342211412.db2.gz SPQUWSNEFMFDML-CYBMUJFWSA-N 1 0 296.440 1.471 40 0 CDABRO Cc1noc(CC(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CC2)n1 ZINC000585108119 342213291 /nfs/dbraw/zinc/21/32/91/342213291.db2.gz PRGGVGCKHFCFRE-QWHCGFSZSA-N 1 0 290.367 1.006 40 0 CDABRO C[C@@H](c1ccccc1)[N@@H+]1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC000585103282 342212776 /nfs/dbraw/zinc/21/27/76/342212776.db2.gz ARAHLTJTEMZTKF-YOEHRIQHSA-N 1 0 288.391 1.928 40 0 CDABRO C[NH+](C)C[C@H]1CN(C(=O)c2cccnc2)Cc2cncn21 ZINC000248070908 362148661 /nfs/dbraw/zinc/14/86/61/362148661.db2.gz AVQCMTILDCYTMU-AWEZNQCLSA-N 1 0 285.351 1.037 40 0 CDABRO OC[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000105639422 345411285 /nfs/dbraw/zinc/41/12/85/345411285.db2.gz ZSRDUHBUWUQNBM-ONGXEEELSA-N 1 0 256.143 1.744 40 0 CDABRO CNc1cc(C)[nH+]c([C@@H]2CN(c3ncccn3)CCO2)c1 ZINC000257293957 362583723 /nfs/dbraw/zinc/58/37/23/362583723.db2.gz QRVVVIWMNREPHR-AWEZNQCLSA-N 1 0 285.351 1.800 40 0 CDABRO CCN1CC2(CCC1=O)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000108526479 186220758 /nfs/dbraw/zinc/22/07/58/186220758.db2.gz WAPMLVCNHCAESS-UHFFFAOYSA-N 1 0 290.411 1.645 40 0 CDABRO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1C(=O)OC2 ZINC000003649842 356007984 /nfs/dbraw/zinc/00/79/84/356007984.db2.gz NFXPPCYKSAAUMQ-LLVKDONJSA-N 1 0 279.336 1.485 40 0 in-man CDABRO [NH3+][C@@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccccc1 ZINC000019369346 356482598 /nfs/dbraw/zinc/48/25/98/356482598.db2.gz NNDATGCDNUYDLS-AWEZNQCLSA-N 1 0 284.363 1.613 40 0 CDABRO O=C(Cn1cncn1)NCC1CC[NH+](C2CCCC2)CC1 ZINC000019407045 356485208 /nfs/dbraw/zinc/48/52/08/356485208.db2.gz TZFCUQALHRXPAG-UHFFFAOYSA-N 1 0 291.399 1.049 40 0 CDABRO CC(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccn1)CC2 ZINC000019453779 356485784 /nfs/dbraw/zinc/48/57/84/356485784.db2.gz UMHZWBNMXWMYTL-UHFFFAOYSA-N 1 0 298.390 1.889 40 0 CDABRO Cc1cccn2cc(C(=O)N[C@@H](C)C[NH+]3CCCC3)nc12 ZINC000019718774 356496953 /nfs/dbraw/zinc/49/69/53/356496953.db2.gz PBMVFEZRJBTMHD-ZDUSSCGKSA-N 1 0 286.379 1.857 40 0 CDABRO CCCc1c(COC)nc(N2CC[NH+](CC)CC2)[nH]c1=O ZINC000022448481 356612502 /nfs/dbraw/zinc/61/25/02/356612502.db2.gz PESXJNSWWHWPBA-UHFFFAOYSA-N 1 0 294.399 1.011 40 0 CDABRO CC(C)(C)OC(=O)CC[NH2+]CCCN1CCOCC1 ZINC000047218963 357153832 /nfs/dbraw/zinc/15/38/32/357153832.db2.gz BAVNZGYYNQJDPV-UHFFFAOYSA-N 1 0 272.389 1.030 40 0 CDABRO NC(=[NH2+])CS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000228954418 358102665 /nfs/dbraw/zinc/10/26/65/358102665.db2.gz DVYYRBNQRGSIFL-UHFFFAOYSA-N 1 0 282.243 1.295 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3C)C2)cn1 ZINC000096049956 358707102 /nfs/dbraw/zinc/70/71/02/358707102.db2.gz JDBFWLALNHPJDF-HNNXBMFYSA-N 1 0 276.384 1.397 40 0 CDABRO C[NH+](C)Cc1cnc2n1CCN(C(=O)c1ccccn1)CC2 ZINC000096196802 358716159 /nfs/dbraw/zinc/71/61/59/358716159.db2.gz PLFDLPIIEBIHAA-UHFFFAOYSA-N 1 0 299.378 1.038 40 0 CDABRO O=C(N[C@H]1CCc2ccccc21)C1=NOC2(C1)CC[NH2+]CC2 ZINC000096268156 358730863 /nfs/dbraw/zinc/73/08/63/358730863.db2.gz ZDYTTXHZXLENHU-AWEZNQCLSA-N 1 0 299.374 1.689 40 0 CDABRO [NH3+]C[C@@H]1CCN(c2cccc(Cl)c2)S1(=O)=O ZINC000222543279 359353023 /nfs/dbraw/zinc/35/30/23/359353023.db2.gz VWCXBIKXUNZLIK-JTQLQIEISA-N 1 0 260.746 1.207 40 0 CDABRO C[NH+]1CCN(c2ccc(C(=O)N3CCCC3)cc2N)CC1 ZINC000225439555 359590026 /nfs/dbraw/zinc/59/00/26/359590026.db2.gz XITQCXPHZUICQR-UHFFFAOYSA-N 1 0 288.395 1.257 40 0 CDABRO COc1ccc(Cc2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000062119700 359959679 /nfs/dbraw/zinc/95/96/79/359959679.db2.gz XZHAPHXMYHVPSP-LLVKDONJSA-N 1 0 259.309 1.746 40 0 CDABRO Nc1nc2c(cc1C(=O)Nc1ccc(F)cc1)C[NH2+]CC2 ZINC000257319695 283692403 /nfs/dbraw/zinc/69/24/03/283692403.db2.gz VTQNJILWFSBNFA-UHFFFAOYSA-N 1 0 286.310 1.701 40 0 CDABRO Cc1ccc(O)c(C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049560368 364079545 /nfs/dbraw/zinc/07/95/45/364079545.db2.gz DSXMVWXLZQMDGY-NSHDSACASA-N 1 0 250.342 1.771 40 0 CDABRO COC[C@H](O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831534 366890617 /nfs/dbraw/zinc/89/06/17/366890617.db2.gz ZUSQIOWQKLATDN-KGLIPLIRSA-N 1 0 257.374 1.417 40 0 CDABRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1cccc(Cl)c1 ZINC000225477941 189753747 /nfs/dbraw/zinc/75/37/47/189753747.db2.gz RMUKPYWHTWLPPQ-QMMMGPOBSA-N 1 0 262.762 1.308 40 0 CDABRO COc1cc(C[NH3+])c(OC)cc1I ZINC000012649397 374560117 /nfs/dbraw/zinc/56/01/17/374560117.db2.gz JHNPVVJFALMYQS-UHFFFAOYSA-N 1 0 293.104 1.767 40 0 CDABRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccno1 ZINC000225561604 375165263 /nfs/dbraw/zinc/16/52/63/375165263.db2.gz YZEHPUDAUSPYBC-UHFFFAOYSA-N 1 0 293.367 1.295 40 0 CDABRO COC(=O)[C@H]1C[C@@]2(c3ccccc3NC2=O)[N@@H+]2CCC[C@@H]12 ZINC000216298024 375394389 /nfs/dbraw/zinc/39/43/89/375394389.db2.gz GILNPVJKDQWNGY-NKFCBESUSA-N 1 0 286.331 1.491 40 0 CDABRO Cc1nc[nH]c1C[N@@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257212133 190013014 /nfs/dbraw/zinc/01/30/14/190013014.db2.gz CCBGQLCHFJXARZ-UHFFFAOYSA-N 1 0 298.394 1.975 40 0 CDABRO C[N@@H+]1CCN(Cc2cncnc2)C[C@H]1c1ccccc1 ZINC000257225245 190015510 /nfs/dbraw/zinc/01/55/10/190015510.db2.gz FFKUEMUSGXJIJM-INIZCTEOSA-N 1 0 268.364 1.965 40 0 CDABRO Cc1cc(C[C@H]2CCC[C@@H]3C[N@H+](CC(N)=O)C[C@@H]32)ncn1 ZINC000257221485 190014723 /nfs/dbraw/zinc/01/47/23/190014723.db2.gz DPFJAJLLERVHTM-UMVBOHGHSA-N 1 0 288.395 1.161 40 0 CDABRO Cc1ccn(CCC(=O)N2CCC[C@H]3[NH2+]CCCC[C@@H]32)n1 ZINC000257278412 190025236 /nfs/dbraw/zinc/02/52/36/190025236.db2.gz OCDPJSZSIDNTFT-CABCVRRESA-N 1 0 290.411 1.715 40 0 CDABRO O=C(c1ccncc1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257281224 190026605 /nfs/dbraw/zinc/02/66/05/190026605.db2.gz OOELNJNIMMMJCL-ZIAGYGMSSA-N 1 0 259.353 1.686 40 0 CDABRO Cc1nc(C[C@@H]2CCC[NH2+]C2)cc(C(=O)N(C)C)n1 ZINC000257276479 190024615 /nfs/dbraw/zinc/02/46/15/190024615.db2.gz NTXJSPOEIMFJMZ-NSHDSACASA-N 1 0 262.357 1.029 40 0 CDABRO Cc1nn(C)c(C)c1-c1cnc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000257329505 190034803 /nfs/dbraw/zinc/03/48/03/190034803.db2.gz XKGDWSCMTXZKGS-LBPRGKRZSA-N 1 0 271.368 1.646 40 0 CDABRO C[N@@H+]1CCCN(C(=O)c2ccnc(-c3cncnc3)c2)CC1 ZINC000257345073 190037899 /nfs/dbraw/zinc/03/78/99/190037899.db2.gz ZZVZKHIKFXDSSS-UHFFFAOYSA-N 1 0 297.362 1.316 40 0 CDABRO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1coc2ccccc12 ZINC000070392789 379374750 /nfs/dbraw/zinc/37/47/50/379374750.db2.gz WNEKBZWFULPOBD-AAEUAGOBSA-N 1 0 260.293 1.149 40 0 CDABRO COc1ccc(CN2N=[O+]C(=O)C2Br)cc1 ZINC000001580768 390139300 /nfs/dbraw/zinc/13/93/00/390139300.db2.gz ZFOGVJUFIBBOLP-UHFFFAOYSA-O 1 0 286.105 1.487 40 0 CDABRO CC(C)OC(=O)[C@@H]1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000096510355 390531643 /nfs/dbraw/zinc/53/16/43/390531643.db2.gz OYZYEXJAVIGOIB-WDEREUQCSA-N 1 0 286.372 1.441 40 0 CDABRO CCO[C@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)CC)CC2 ZINC000096421801 391189448 /nfs/dbraw/zinc/18/94/48/391189448.db2.gz OEOHHUKMKDUVPJ-AVGNSLFASA-N 1 0 257.374 1.009 40 0 CDABRO CC(C)[N@@H+]1CCC[C@H]1c1cncc(N2CCOC2=O)n1 ZINC000257301943 391649527 /nfs/dbraw/zinc/64/95/27/391649527.db2.gz SARKJDZUQGKMOO-LBPRGKRZSA-N 1 0 276.340 1.979 40 0 CDABRO COC(=O)[C@@H]1C[C@]2(c3ccccc3NC2=O)[N@@H+]2CCC[C@H]12 ZINC000062716016 392802568 /nfs/dbraw/zinc/80/25/68/392802568.db2.gz GILNPVJKDQWNGY-CKUKBARFSA-N 1 0 286.331 1.491 40 0 CDABRO Brc1ccccc1C[C@@H]1C[NH2+]CCO1 ZINC000071577318 176205353 /nfs/dbraw/zinc/20/53/53/176205353.db2.gz SFTMNWLAZLCRRN-SNVBAGLBSA-N 1 0 256.143 1.980 40 0 CDABRO C[NH+](C)[C@H](CCC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C ZINC000001697501 169744562 /nfs/dbraw/zinc/74/45/62/169744562.db2.gz XTCMWSRTTSMIQI-GFCCVEGCSA-N 1 0 299.459 1.916 40 0 CDABRO CN(C)C(=O)Oc1cc(O)cc([C@H](O)C[NH2+]C(C)(C)C)c1 ZINC000005353318 170089010 /nfs/dbraw/zinc/08/90/10/170089010.db2.gz ZFYNJGOPBVNUDF-CYBMUJFWSA-N 1 0 296.367 1.874 40 0 in-vitro CDABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000035424948 172193421 /nfs/dbraw/zinc/19/34/21/172193421.db2.gz JQSWGSZEHCGUCH-NSHDSACASA-N 1 0 289.339 1.614 40 0 biogenic,in-vitro CDABRO CN(C)S(=O)(=O)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000044029909 175138944 /nfs/dbraw/zinc/13/89/44/175138944.db2.gz NPLRSXXICVDHJC-GFCCVEGCSA-N 1 0 298.408 1.315 40 0 CDABRO CC[N@@H+]1CCC[C@@](O)(CN(C)Cc2c(C)nn(C)c2C)C1 ZINC000046087876 175392483 /nfs/dbraw/zinc/39/24/83/175392483.db2.gz BJBNWJZNRGVTBX-MRXNPFEDSA-N 1 0 294.443 1.316 40 0 CDABRO CN(C(=O)Cc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000072343437 176372206 /nfs/dbraw/zinc/37/22/06/176372206.db2.gz FUWZBODMSSZBGB-ZDUSSCGKSA-N 1 0 264.344 1.969 40 0 CDABRO c1cnc(Nc2nccc([C@H]3CCC[NH2+]C3)n2)cn1 ZINC000072354555 176374996 /nfs/dbraw/zinc/37/49/96/176374996.db2.gz NDNJIOZCXNAJNX-JTQLQIEISA-N 1 0 256.313 1.477 40 0 CDABRO Cc1cc(CCC(=O)N(C)C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072366410 176381404 /nfs/dbraw/zinc/38/14/04/176381404.db2.gz BJOUBLLRPHBSPO-ZDUSSCGKSA-N 1 0 290.411 1.615 40 0 CDABRO Cc1cc(NCC[NH+](C)C)n2nc(-c3nccn3C)cc2n1 ZINC000072397718 176395408 /nfs/dbraw/zinc/39/54/08/176395408.db2.gz IXAIEFFDJGSSPD-UHFFFAOYSA-N 1 0 299.382 1.412 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391364 177475802 /nfs/dbraw/zinc/47/58/02/177475802.db2.gz PDMVFECTGGFCIN-QWRGUYRKSA-N 1 0 285.388 1.095 40 0 CDABRO CCN(C[C@H]1CCCN1C(=O)C[NH3+])C(=O)OC(C)(C)C ZINC000079409137 177481865 /nfs/dbraw/zinc/48/18/65/177481865.db2.gz PSYZRDGDVQGDGS-LLVKDONJSA-N 1 0 285.388 1.193 40 0 CDABRO FC1(F)CC[NH2+]C[C@@]12CCN(Cc1ccccn1)C2 ZINC000096239825 265345647 /nfs/dbraw/zinc/34/56/47/265345647.db2.gz JMBCMQUCONSDMW-CYBMUJFWSA-N 1 0 267.323 1.902 40 0 CDABRO C[C@@H]1OC(=O)[C@@H]2[C@@H]1[N@@H+]1CCc3ccccc3[C@@H]1C[C@@H]2O ZINC000020111857 279038846 /nfs/dbraw/zinc/03/88/46/279038846.db2.gz MPEJFJFZVUSBET-XOKYVNOHSA-N 1 0 273.332 1.281 40 0 CDABRO CC[NH+](CC)CCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000005352046 279107820 /nfs/dbraw/zinc/10/78/20/279107820.db2.gz OCBYBBQVZFJHBP-MLGHIDQZSA-N 1 0 281.352 1.069 40 0 CDABRO CN(C[C@H]1CCCCN1C(=O)C[NH3+])C(=O)OC(C)(C)C ZINC000079409070 289735828 /nfs/dbraw/zinc/73/58/28/289735828.db2.gz IPJJYXMSAFHJNX-LLVKDONJSA-N 1 0 285.388 1.193 40 0 CDABRO [NH3+]CCN1C(=O)c2ccccc2[C@@]1(O)c1ccccc1 ZINC000001695621 303381664 /nfs/dbraw/zinc/38/16/64/303381664.db2.gz MXSAPVMERXGFSJ-INIZCTEOSA-N 1 0 268.316 1.295 40 0 CDABRO CSc1cccc(N2CC[C@H](C[NH3+])S2(=O)=O)c1 ZINC000260762849 328066891 /nfs/dbraw/zinc/06/68/91/328066891.db2.gz HRJJYVJKSXIUIU-LLVKDONJSA-N 1 0 272.395 1.276 40 0 CDABRO COC(=O)c1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000074713397 567903780 /nfs/dbraw/zinc/90/37/80/567903780.db2.gz DLHZXVPCRDMBLA-UHFFFAOYSA-N 1 0 276.336 1.754 40 0 CDABRO Ic1cncc(OC[C@H]2CC[NH2+]2)c1 ZINC000004632558 1175718814 /nfs/dbraw/zinc/71/88/14/1175718814.db2.gz RKVRGRXOYDTUEY-MRVPVSSYSA-N 1 0 290.104 1.427 40 0 CDABRO CC1(C)[NH2+][C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CO1 ZINC000095913271 185031189 /nfs/dbraw/zinc/03/11/89/185031189.db2.gz PEJXWFVSLBDUGW-KBPBESRZSA-N 1 0 290.363 1.980 40 0 CDABRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000096038759 185069309 /nfs/dbraw/zinc/06/93/09/185069309.db2.gz IHTKBXJQUPBJLU-UKRRQHHQSA-N 1 0 293.367 1.018 40 0 CDABRO O=C1[C@H]2C[N@H+](CC3CC3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054641 185076690 /nfs/dbraw/zinc/07/66/90/185076690.db2.gz WBGIIWURUROGJN-HOTGVXAUSA-N 1 0 285.391 1.772 40 0 CDABRO Cn1cc(CN2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC000096110641 185100438 /nfs/dbraw/zinc/10/04/38/185100438.db2.gz VYDAPYFRJOMATF-HOTGVXAUSA-N 1 0 297.406 1.379 40 0 CDABRO c1c(-c2nc(C3CC3)no2)n[nH]c1C1CC[NH2+]CC1 ZINC000096516106 342165825 /nfs/dbraw/zinc/16/58/25/342165825.db2.gz OMALLKCUQPOPQW-UHFFFAOYSA-N 1 0 259.313 1.804 40 0 CDABRO OC[C@H]1CCn2nccc2CN1Cc1ccccn1 ZINC000585097238 342211836 /nfs/dbraw/zinc/21/18/36/342211836.db2.gz IZUAXLQMXCVTCA-CQSZACIVSA-N 1 0 258.325 1.045 40 0 CDABRO CC(C)N1C[C@]2(CCC[N@H+](C[C@H]3CCCO3)C2)C1=O ZINC000585099569 342212259 /nfs/dbraw/zinc/21/22/59/342212259.db2.gz QMPQJYRSQSHVIS-UKRRQHHQSA-N 1 0 266.385 1.498 40 0 CDABRO COC[C@@H]1CN(C(=O)c2ccco2)CC12CC[NH+](C)CC2 ZINC000585102704 342212618 /nfs/dbraw/zinc/21/26/18/342212618.db2.gz BDAJFKZDNJVNNA-ZDUSSCGKSA-N 1 0 292.379 1.710 40 0 CDABRO COCC[C@H]1CCOC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000585102872 342212661 /nfs/dbraw/zinc/21/26/61/342212661.db2.gz LPGKVCGYNDAVHY-HNNXBMFYSA-N 1 0 293.411 1.828 40 0 CDABRO CO[C@H]1CCCN(C(=O)C[NH3+])[C@H]1Cc1ccccc1 ZINC000585269584 342255529 /nfs/dbraw/zinc/25/55/29/342255529.db2.gz ZZENYWZICHAMMW-KBPBESRZSA-N 1 0 262.353 1.194 40 0 CDABRO CN(C)C(=O)C[C@H]1C[N@@H+](C2CCCCCC2)C[C@@H]1O ZINC000585277785 342256323 /nfs/dbraw/zinc/25/63/23/342256323.db2.gz XWIHFYHWVOLWOU-JSGCOSHPSA-N 1 0 268.401 1.480 40 0 CDABRO C[NH+](C)CC(=O)N1CC[C@@]2(C)OC(C)(C)CC[C@H]2C1 ZINC000585284422 342258572 /nfs/dbraw/zinc/25/85/72/342258572.db2.gz FNOBZTNMGVIGBO-SWLSCSKDSA-N 1 0 268.401 1.744 40 0 CDABRO Cc1nc(COCC[C@@H]2CCOC23C[NH2+]C3)cs1 ZINC000248029717 362145792 /nfs/dbraw/zinc/14/57/92/362145792.db2.gz LNBGSLZFBMZKKN-LLVKDONJSA-N 1 0 268.382 1.737 40 0 CDABRO CN(C)C(=O)C(C)(C)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000079311407 362163228 /nfs/dbraw/zinc/16/32/28/362163228.db2.gz MELOUVJEMZYUSL-GFCCVEGCSA-N 1 0 286.322 1.455 40 0 CDABRO CNC(=O)[C@@H]1CN(C)CC[N@@H+](C2CCCCCC2)C1 ZINC000257236921 362578877 /nfs/dbraw/zinc/57/88/77/362578877.db2.gz HEINARJCCRQZOK-CYBMUJFWSA-N 1 0 267.417 1.319 40 0 CDABRO CC(C)[C@@H]([NH3+])[C@@H](O)COc1cccc2[nH]c(C#N)cc21 ZINC000002244160 346031898 /nfs/dbraw/zinc/03/18/98/346031898.db2.gz YCIRDRACDKNKJQ-DZGCQCFKSA-N 1 0 273.336 1.763 40 0 CDABRO COc1ccc(-c2noc(CSC(N)=[NH2+])n2)cc1 ZINC000087464261 179429088 /nfs/dbraw/zinc/42/90/88/179429088.db2.gz NLPNLCCFJVIQPM-UHFFFAOYSA-N 1 0 264.310 1.872 40 0 CDABRO [NH3+]CCc1nc(-c2ccc(OC(F)F)cc2)no1 ZINC000089262342 179761845 /nfs/dbraw/zinc/76/18/45/179761845.db2.gz CRNBHMSQBPRBOA-UHFFFAOYSA-N 1 0 255.224 1.839 40 0 CDABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)CC2)n1 ZINC000108531410 186222051 /nfs/dbraw/zinc/22/20/51/186222051.db2.gz JEUQMNCTLLRTCY-MRXNPFEDSA-N 1 0 289.379 1.582 40 0 CDABRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCc2ncnn2C1 ZINC000136400177 363031869 /nfs/dbraw/zinc/03/18/69/363031869.db2.gz SVOCTDXHEGFSLH-OCCSQVGLSA-N 1 0 286.379 1.909 40 0 CDABRO OC1(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CCOCC1 ZINC000152979527 188056531 /nfs/dbraw/zinc/05/65/31/188056531.db2.gz XUWPBLUFMCAKAX-GFCCVEGCSA-N 1 0 265.357 1.131 40 0 CDABRO COc1ccc(C[C@H](C)CN(C)C(=O)[C@H](C)[NH3+])cc1 ZINC000158072503 188355766 /nfs/dbraw/zinc/35/57/66/188355766.db2.gz OJNXTMLMAPIJER-RYUDHWBXSA-N 1 0 264.369 1.679 40 0 CDABRO CN(Cc1nncn1C)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000333958558 363274996 /nfs/dbraw/zinc/27/49/96/363274996.db2.gz JDVFUYQMAMCZHD-UHFFFAOYSA-N 1 0 291.399 1.038 40 0 CDABRO [NH3+]Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000001655994 355945565 /nfs/dbraw/zinc/94/55/65/355945565.db2.gz VGDRABOUNGYMSJ-UHFFFAOYSA-N 1 0 262.334 1.946 40 0 CDABRO COc1ccccc1C[C@@H](O)C[NH2+]Cc1ccco1 ZINC000001676682 355946920 /nfs/dbraw/zinc/94/69/20/355946920.db2.gz WPIDCZBVFXTHBQ-CYBMUJFWSA-N 1 0 261.321 1.981 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000002517161 355972572 /nfs/dbraw/zinc/97/25/72/355972572.db2.gz XDWBXMVFTBENCK-QWRGUYRKSA-N 1 0 285.347 1.630 40 0 in-vitro CDABRO c1cnc2c(n[nH]c2[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000019404283 356483833 /nfs/dbraw/zinc/48/38/33/356483833.db2.gz OCHYDNASPCMYAS-NSHDSACASA-N 1 0 257.341 1.942 40 0 CDABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccco1 ZINC000073642333 356937945 /nfs/dbraw/zinc/93/79/45/356937945.db2.gz MUMFWMBQEGTXLN-UHFFFAOYSA-N 1 0 255.277 1.941 40 0 CDABRO CN(CCO)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079393498 356989799 /nfs/dbraw/zinc/98/97/99/356989799.db2.gz RYMBPHJMERKSMS-MRXNPFEDSA-N 1 0 262.397 1.965 40 0 CDABRO CC(C)N(C[C@@H]1CCN(C(=O)C[NH3+])C1)C(=O)OC(C)(C)C ZINC000079409255 356992290 /nfs/dbraw/zinc/99/22/90/356992290.db2.gz DYYUWUKFCSIRNV-GFCCVEGCSA-N 1 0 299.415 1.439 40 0 CDABRO CC(C)N(C[C@@H]1COc2ccccc2O1)C(=O)[C@H](C)[NH3+] ZINC000079418807 356995497 /nfs/dbraw/zinc/99/54/97/356995497.db2.gz QIGHCOREORXYDF-NWDGAFQWSA-N 1 0 278.352 1.411 40 0 CDABRO COc1ccc(C(=O)O[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000019456171 358065933 /nfs/dbraw/zinc/06/59/33/358065933.db2.gz PZLZFQBGMVTMFC-ZDUSSCGKSA-N 1 0 292.379 1.488 40 0 CDABRO C[NH+](C)CCCOc1ccc([C@@H]([NH3+])C(=O)[O-])cc1 ZINC000199810844 358097393 /nfs/dbraw/zinc/09/73/93/358097393.db2.gz SMVZWRFACMKHHL-GFCCVEGCSA-N 1 0 252.314 1.102 40 0 CDABRO CCc1ccc(C(=O)N2CC3(C2)C[C@H](CO)C[N@@H+]3C)cc1 ZINC000585093826 358099047 /nfs/dbraw/zinc/09/90/47/358099047.db2.gz IASUVTCCRLIPSD-AWEZNQCLSA-N 1 0 288.391 1.388 40 0 CDABRO COC(=O)CN1CCC([NH2+][C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000136962346 358763089 /nfs/dbraw/zinc/76/30/89/358763089.db2.gz LJSNQFLNZDRDIQ-LSDHHAIUSA-N 1 0 296.411 1.171 40 0 CDABRO c1cncc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)c1 ZINC000096183278 358713321 /nfs/dbraw/zinc/71/33/21/358713321.db2.gz ZMTYQXUKEAIMMR-DLBZAZTESA-N 1 0 287.407 1.767 40 0 CDABRO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C2CCOCC2)cn1 ZINC000096184633 358713617 /nfs/dbraw/zinc/71/36/17/358713617.db2.gz UNIJFXUVTIEHMT-JKSUJKDBSA-N 1 0 290.411 1.248 40 0 CDABRO O=C1COC2(CC[NH+](Cc3cccs3)CC2)CN1 ZINC000096201320 358718472 /nfs/dbraw/zinc/71/84/72/358718472.db2.gz UCILDRYVVDTXHY-UHFFFAOYSA-N 1 0 266.366 1.229 40 0 CDABRO C[N@@H+]1CC[C@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096201937 358719568 /nfs/dbraw/zinc/71/95/68/358719568.db2.gz NSFNFCONZOBXSR-CQSZACIVSA-N 1 0 280.393 1.542 40 0 CDABRO CCOC[C@H]1COCCC12CCN(C(=O)C[NH+](C)C)CC2 ZINC000096209149 358720635 /nfs/dbraw/zinc/72/06/35/358720635.db2.gz XPZFQIKKJHUMRV-AWEZNQCLSA-N 1 0 298.427 1.230 40 0 CDABRO O=C(C[C@@H]1C[C@H]2C[N@@H+](C3CCC3)C[C@H]2O1)N1CCCCO1 ZINC000096209942 358721079 /nfs/dbraw/zinc/72/10/79/358721079.db2.gz YZKQHQMBHNLXAO-AEGPPILISA-N 1 0 294.395 1.572 40 0 CDABRO CN(C)c1ncc2c(n1)[C@]1(CC[N@H+](CC3CC3)C1)COC2 ZINC000096244021 358724895 /nfs/dbraw/zinc/72/48/95/358724895.db2.gz FJBXXAKOQRGVSI-INIZCTEOSA-N 1 0 288.395 1.426 40 0 CDABRO Cn1cc(N2CC[C@H]3C[N@H+](CC4CC4)C[C@@H]3C2=O)cn1 ZINC000096249147 358726235 /nfs/dbraw/zinc/72/62/35/358726235.db2.gz HVSBAXWWJADGDR-JSGCOSHPSA-N 1 0 274.368 1.115 40 0 CDABRO CNC(=O)c1cc2c(nc1NC(C)C)CC[N@H+](C)CC2 ZINC000096260418 358729686 /nfs/dbraw/zinc/72/96/86/358729686.db2.gz CJWVEVTZWZAQSD-UHFFFAOYSA-N 1 0 276.384 1.292 40 0 CDABRO COc1ccc(Cc2nc(CC[NH3+])no2)cc1OC ZINC000041201696 358868492 /nfs/dbraw/zinc/86/84/92/358868492.db2.gz BEXCIDGQLPEFGD-UHFFFAOYSA-N 1 0 263.297 1.179 40 0 CDABRO C[C@@]12C[NH2+]C[C@@](C)(CN(Cc3ccccc3)C1)[C@@H]2O ZINC000217356148 358996296 /nfs/dbraw/zinc/99/62/96/358996296.db2.gz NRTKUYGHEKNAOU-PHZGNYQRSA-N 1 0 260.381 1.479 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]CCS[C@H]2C1 ZINC000110915701 359156430 /nfs/dbraw/zinc/15/64/30/359156430.db2.gz NHMOWLFHCDJJHH-UWVGGRQHSA-N 1 0 258.387 1.701 40 0 CDABRO O=C([C@@H]1CCCO1)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426471 296020364 /nfs/dbraw/zinc/02/03/64/296020364.db2.gz BXWAOZFKYDPKHU-GXTWGEPZSA-N 1 0 252.358 1.158 40 0 CDABRO CC[NH+](CC)CCN1C(=O)c2cccc(N)c2C1=O ZINC000001580659 364344302 /nfs/dbraw/zinc/34/43/02/364344302.db2.gz LPNHZYDLLJNTNI-UHFFFAOYSA-N 1 0 261.325 1.207 40 0 CDABRO COC(=O)c1ccc(C[NH2+]Cc2cn(C)nc2C)cc1 ZINC000012399009 365056340 /nfs/dbraw/zinc/05/63/40/365056340.db2.gz BLLQZBNZONUSSF-UHFFFAOYSA-N 1 0 273.336 1.805 40 0 CDABRO CC1(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)COC1 ZINC000272881744 365429448 /nfs/dbraw/zinc/42/94/48/365429448.db2.gz HEJQLLUIYDXXNW-UHFFFAOYSA-N 1 0 258.281 1.242 40 0 CDABRO CC[C@H](c1ccccc1)[NH+]1CCN(CCC(=O)NC)CC1 ZINC000075862766 366906357 /nfs/dbraw/zinc/90/63/57/366906357.db2.gz JHNFSKAJUBXRCW-MRXNPFEDSA-N 1 0 289.423 1.891 40 0 CDABRO CCOc1ccccc1NC(=O)CSC1=[NH+]CCN1 ZINC000001994575 367479746 /nfs/dbraw/zinc/47/97/46/367479746.db2.gz BEPHHAJVUWDIDZ-UHFFFAOYSA-N 1 0 279.365 1.716 40 0 CDABRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)s1 ZINC000333186060 205102063 /nfs/dbraw/zinc/10/20/63/205102063.db2.gz OARFTBQIJLPZSD-QMMMGPOBSA-N 1 0 274.773 1.510 40 0 CDABRO C[N@@H+]1C[C@@H]2CN(Cc3cccnc3)CCN2C(C)(C)C1 ZINC000253406870 373701581 /nfs/dbraw/zinc/70/15/81/373701581.db2.gz VDYHCAULARRUQP-OAHLLOKOSA-N 1 0 274.412 1.292 40 0 biogenic,in-vitro CDABRO CCCC(=O)N1CC2(C1)C[C@@H](COC)CC[N@@H+]2C ZINC000306144360 374971938 /nfs/dbraw/zinc/97/19/38/374971938.db2.gz ZDIZNCZAHFFXRN-LBPRGKRZSA-N 1 0 254.374 1.356 40 0 CDABRO CC(C)COCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000225722133 375191883 /nfs/dbraw/zinc/19/18/83/375191883.db2.gz MJDLPRBDNUHYGN-KBPBESRZSA-N 1 0 268.401 1.650 40 0 CDABRO CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCCC[C@H]1C(N)=O ZINC000132848081 375613060 /nfs/dbraw/zinc/61/30/60/375613060.db2.gz AUSWCJCFQXZSEK-CHWSQXEVSA-N 1 0 293.415 1.458 40 0 CDABRO CN(C)CC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256052486 190004301 /nfs/dbraw/zinc/00/43/01/190004301.db2.gz NMVRWYUVRSRTTO-UHFFFAOYSA-N 1 0 250.268 1.090 40 0 CDABRO C[C@@H]1CN(c2nccnc2CC2CC[NH2+]CC2)C(=O)O1 ZINC000257256062 190021842 /nfs/dbraw/zinc/02/18/42/190021842.db2.gz KJYCIVZAWIXGLG-SNVBAGLBSA-N 1 0 276.340 1.364 40 0 CDABRO CCc1ccc([C@H]2[C@H](S(=O)(=O)CC)[C@@]2(C[NH3+])CO)cc1 ZINC000218438736 375835209 /nfs/dbraw/zinc/83/52/09/375835209.db2.gz OWGHEIDQVFILHI-KKUMJFAQSA-N 1 0 297.420 1.087 40 0 CDABRO Cn1ccnc1-c1nccnc1C1CC[NH+](C)CC1 ZINC000257304243 190030753 /nfs/dbraw/zinc/03/07/53/190030753.db2.gz SKSOQDIEUNSKKF-UHFFFAOYSA-N 1 0 257.341 1.686 40 0 CDABRO C[N@@H+]1CCCN(Cc2ccnc([C@]3(C)CCCO3)n2)CC1 ZINC000257319283 190033409 /nfs/dbraw/zinc/03/34/09/190033409.db2.gz VRSRGKHNLBSTAU-INIZCTEOSA-N 1 0 290.411 1.640 40 0 CDABRO O=C(C[NH+]1CCC(Cc2ccncc2)CC1)N1CCCC1 ZINC000257333584 190035325 /nfs/dbraw/zinc/03/53/25/190035325.db2.gz YCEPBVBIHACJGJ-UHFFFAOYSA-N 1 0 287.407 1.959 40 0 CDABRO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC000063527722 378303735 /nfs/dbraw/zinc/30/37/35/378303735.db2.gz BHJJIGZTJIVBMD-LBPRGKRZSA-N 1 0 252.358 1.110 40 0 CDABRO Cc1nc(NCC2CC2)nc2c1COC[C@@]21CC[NH2+]C1 ZINC000096244523 256830926 /nfs/dbraw/zinc/83/09/26/256830926.db2.gz GGCJUAGLAZQRRN-HNNXBMFYSA-N 1 0 274.368 1.368 40 0 CDABRO O[C@H]1C[NH2+]Cc2cc3c(c(Br)c21)OCO3 ZINC000095470374 285368148 /nfs/dbraw/zinc/36/81/48/285368148.db2.gz SOTNPTNVTLGZHT-LURJTMIESA-N 1 0 272.098 1.314 40 0 CDABRO CCOC(=O)[C@H]1CC[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000096510333 390530657 /nfs/dbraw/zinc/53/06/57/390530657.db2.gz ICLFKLQIHHBWQG-UWVGGRQHSA-N 1 0 272.345 1.052 40 0 CDABRO c1c(-c2noc(C3CC3)n2)nnn1C1CC[NH2+]CC1 ZINC000096516241 390534150 /nfs/dbraw/zinc/53/41/50/390534150.db2.gz PVVRRNPOKJGXNF-UHFFFAOYSA-N 1 0 260.301 1.130 40 0 CDABRO CO[C@H]1CCN(C(C)=O)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109471 390913034 /nfs/dbraw/zinc/91/30/34/390913034.db2.gz QDZFBVJCIVTETL-XHSDSOJGSA-N 1 0 289.379 1.149 40 0 CDABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C[C@@H](C)O1 ZINC000037363641 391478731 /nfs/dbraw/zinc/47/87/31/391478731.db2.gz RDVDUFLJQMMCNS-JMSVASOKSA-N 1 0 276.380 1.731 40 0 CDABRO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](CC)CO)cc1 ZINC000002705568 169821473 /nfs/dbraw/zinc/82/14/73/169821473.db2.gz QSCNSJFTLJKABL-KGLIPLIRSA-N 1 0 295.379 1.380 40 0 CDABRO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000011897075 170457091 /nfs/dbraw/zinc/45/70/91/170457091.db2.gz QPHGNMRGXPWJPO-JTQLQIEISA-N 1 0 259.758 1.866 40 0 CDABRO CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000037540994 173262782 /nfs/dbraw/zinc/26/27/82/173262782.db2.gz UOUAKTVBKHUETH-LLVKDONJSA-N 1 0 262.309 1.239 40 0 CDABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCC2)ncc1C(N)=O ZINC000072345417 176373103 /nfs/dbraw/zinc/37/31/03/176373103.db2.gz ASPPUUGKUOEKJX-ZDUSSCGKSA-N 1 0 274.368 1.963 40 0 CDABRO Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCC[NH2+]2)n1 ZINC000072363385 176377467 /nfs/dbraw/zinc/37/74/67/176377467.db2.gz XFTSWFSLTUUPIN-CYBMUJFWSA-N 1 0 276.384 1.620 40 0 CDABRO Cc1nc([C@H]2CC[NH2+]C2)cc(N2CCCOCC2)n1 ZINC000072386875 176392181 /nfs/dbraw/zinc/39/21/81/176392181.db2.gz CXOODSTZTFQXLF-LBPRGKRZSA-N 1 0 262.357 1.089 40 0 CDABRO COc1ccccc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C ZINC000072397635 176395060 /nfs/dbraw/zinc/39/50/60/176395060.db2.gz MIZZOWWECZFPJS-VHDGCEQUSA-N 1 0 276.380 1.335 40 0 CDABRO C[C@@](CO)([NH2+]CC(=O)NCC1CCC1)C1CCCCC1 ZINC000077657052 177291790 /nfs/dbraw/zinc/29/17/90/177291790.db2.gz NWZZQEQTALIGEI-INIZCTEOSA-N 1 0 282.428 1.824 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(O)cccc1OC ZINC000005851787 260020515 /nfs/dbraw/zinc/02/05/15/260020515.db2.gz MVWKVVFFVMXULU-NSHDSACASA-N 1 0 278.352 1.615 40 0 in-vitro CDABRO C[C@H]([NH3+])C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000083320858 260189393 /nfs/dbraw/zinc/18/93/93/260189393.db2.gz NDDYBWBWTKZYKF-ZDUSSCGKSA-N 1 0 275.396 1.457 40 0 CDABRO COC[C@H]1CCC2(CCN(c3ncc(F)cn3)CC2)[N@@H+]1C ZINC000096207110 274052013 /nfs/dbraw/zinc/05/20/13/274052013.db2.gz FIIRYDROOCHAOU-CYBMUJFWSA-N 1 0 294.374 1.695 40 0 CDABRO c1coc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)c1 ZINC000096055847 275074584 /nfs/dbraw/zinc/07/45/84/275074584.db2.gz XUWWBVRTXGPNKP-KGLIPLIRSA-N 1 0 270.336 1.923 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079409210 276300035 /nfs/dbraw/zinc/30/00/35/276300035.db2.gz PLLZKTLSVDYYFT-RYUDHWBXSA-N 1 0 299.415 1.630 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@H]1CCCN1CC[NH3+])C1CC1 ZINC000079408590 277178878 /nfs/dbraw/zinc/17/88/78/277178878.db2.gz GZBIOVQUKOZRHF-CYBMUJFWSA-N 1 0 283.416 1.809 40 0 CDABRO COC[C@@H]1C[N@H+](C)CC12CCN(c1nnc(C)s1)CC2 ZINC000248124865 277254154 /nfs/dbraw/zinc/25/41/54/277254154.db2.gz LILGVSNIBNKJER-LBPRGKRZSA-N 1 0 296.440 1.641 40 0 CDABRO CC(=O)N1C[C@@H]2C[N@@H+](C3CCC3)CCN2C(C)(C)C1 ZINC000253408885 278071510 /nfs/dbraw/zinc/07/15/10/278071510.db2.gz YWDHRRFVSNRQHY-AWEZNQCLSA-N 1 0 265.401 1.166 40 0 biogenic,in-vitro CDABRO CCCN1C=CC(=c2nc3c(o2)=CC(=[NH2+])C=C3)C=C1 ZINC000409416123 278801515 /nfs/dbraw/zinc/80/15/15/278801515.db2.gz PUELNOLPTUVSMP-UHFFFAOYSA-N 1 0 253.305 1.405 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(CC[NH3+])C1 ZINC000079408407 279004569 /nfs/dbraw/zinc/00/45/69/279004569.db2.gz FJOPYTXBOGFHFH-LLVKDONJSA-N 1 0 257.378 1.276 40 0 CDABRO Cc1[nH+]c(N2CCOCC2)nc(N)c1-c1ccccc1 ZINC000009264734 281932122 /nfs/dbraw/zinc/93/21/22/281932122.db2.gz YDQIGOHFKBITMW-UHFFFAOYSA-N 1 0 270.336 1.871 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000079409111 288872137 /nfs/dbraw/zinc/87/21/37/288872137.db2.gz ISTQEHSNHMVKSU-GHMZBOCLSA-N 1 0 285.388 1.239 40 0 CDABRO Cn1ccnc1CN(CCC[NH+](C)C)Cc1ccccn1 ZINC000019291480 289114641 /nfs/dbraw/zinc/11/46/41/289114641.db2.gz NXJSWTMXBKBICH-UHFFFAOYSA-N 1 0 287.411 1.769 40 0 CDABRO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000072356700 295169827 /nfs/dbraw/zinc/16/98/27/295169827.db2.gz SPGKSVPHFFSEKF-LBPRGKRZSA-N 1 0 262.357 1.978 40 0 CDABRO Cn1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)ccc1=O ZINC000257272980 302907058 /nfs/dbraw/zinc/90/70/58/302907058.db2.gz NESXUKYWCGURAI-OAHLLOKOSA-N 1 0 297.358 1.172 40 0 CDABRO COCc1nnc(C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000257339942 327137150 /nfs/dbraw/zinc/13/71/50/327137150.db2.gz ZDWHVYTUMSLWRW-OLZOCXBDSA-N 1 0 295.383 1.699 40 0 CDABRO CC[NH+]1CCC(NC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000049398717 521571784 /nfs/dbraw/zinc/57/17/84/521571784.db2.gz GGGVFRYYNSCQDN-UHFFFAOYSA-N 1 0 285.388 1.112 40 0 CDABRO Cn1cnc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC000291525760 534804298 /nfs/dbraw/zinc/80/42/98/534804298.db2.gz PKGOITWVHHTKQG-CYBMUJFWSA-N 1 0 297.362 1.440 40 0 CDABRO COCCNC(=O)[C@@H]1C[N@H+](C)[C@H]2c3ccccc3OC[C@H]21 ZINC001772596022 1159319597 /nfs/dbraw/zinc/31/95/97/1159319597.db2.gz ZFAPDBWLLCBCNL-IPYPFGDCSA-N 1 0 290.363 1.061 40 0 CDABRO Cc1ccc2[nH]c3c(ncn(CC[NH+](C)C)c3=O)c2c1 ZINC000004808353 1163371326 /nfs/dbraw/zinc/37/13/26/1163371326.db2.gz NRNLQTGQEKIPNU-UHFFFAOYSA-N 1 0 270.336 1.748 40 0 CDABRO CC[NH+](CC)C[C@@H]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)OC1 ZINC000575402628 342451773 /nfs/dbraw/zinc/45/17/73/342451773.db2.gz DEWHHTIDIJNWCG-QLFBSQMISA-N 1 0 294.439 1.992 40 0 CDABRO c1ncc(O[C@@H]2C[C@@H]3C[N@H+](CC4CC4)CCN3C2)cn1 ZINC000096055015 185075420 /nfs/dbraw/zinc/07/54/20/185075420.db2.gz GIZHOTULGCNHQK-ZIAGYGMSSA-N 1 0 274.368 1.024 40 0 CDABRO c1ccc(CO[C@H]2C[C@H]3C[N@H+](CC4CC4)CCN3C2)nc1 ZINC000096055127 185076031 /nfs/dbraw/zinc/07/60/31/185076031.db2.gz XFZIQEZBAUMNGZ-IRXDYDNUSA-N 1 0 287.407 1.767 40 0 CDABRO CN(C)C(=O)N1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053913 185076504 /nfs/dbraw/zinc/07/65/04/185076504.db2.gz DDLZWKLCCKHDCY-ZIAGYGMSSA-N 1 0 291.370 1.871 40 0 CDABRO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C[C@H]2O1 ZINC000096058219 185079523 /nfs/dbraw/zinc/07/95/23/185079523.db2.gz IPTPZPVUWFYFJO-IACUBPJLSA-N 1 0 294.420 1.782 40 0 CDABRO c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@H]2NC[C@@H]1CCCO1 ZINC000096062807 185083225 /nfs/dbraw/zinc/08/32/25/185083225.db2.gz ZHPMTRBAPZZNGH-DDWPSWQVSA-N 1 0 258.365 1.813 40 0 CDABRO O=C(c1cccnc1)N1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC000096063674 185084278 /nfs/dbraw/zinc/08/42/78/185084278.db2.gz IYLNMLVHQNMBJL-IYBDPMFKSA-N 1 0 285.391 1.886 40 0 CDABRO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2ccccn2)C3)n1 ZINC000096110037 185099328 /nfs/dbraw/zinc/09/93/28/185099328.db2.gz MUZNUDBCJDKMNO-IUODEOHRSA-N 1 0 286.335 1.173 40 0 CDABRO c1cncc(OC[C@]23COC[C@H]2C[N@@H+](C2CCC2)C3)c1 ZINC000096108852 185099872 /nfs/dbraw/zinc/09/98/72/185099872.db2.gz HGAZKVJOELJIOD-CJNGLKHVSA-N 1 0 274.364 1.961 40 0 CDABRO Cc1cccc(C[C@H]2CC[N@H+](CCC(N)=O)C[C@@H]2O)c1 ZINC000585277689 342256487 /nfs/dbraw/zinc/25/64/87/342256487.db2.gz KKVXIGLSMFNQEO-CABCVRRESA-N 1 0 276.380 1.096 40 0 CDABRO CNc1nccnc1[C@H]1CN(c2ccnc(C)n2)CCO1 ZINC000257328929 362587016 /nfs/dbraw/zinc/58/70/16/362587016.db2.gz XHQUAXLTGGCBOC-LLVKDONJSA-N 1 0 286.339 1.195 40 0 CDABRO Cc1nc(CN2CCO[C@@H]3CC[NH2+]CC[C@@H]32)cs1 ZINC000306130635 201840843 /nfs/dbraw/zinc/84/08/43/201840843.db2.gz JLRUEONTSMDGPS-QWHCGFSZSA-N 1 0 267.398 1.404 40 0 CDABRO C[C@H]1C[NH+](CCCCNC(=O)[C@@H]2CCCOC2)C[C@H](C)O1 ZINC000085456234 179067879 /nfs/dbraw/zinc/06/78/79/179067879.db2.gz JOEOGIXRYNCBEB-SOUVJXGZSA-N 1 0 298.427 1.419 40 0 CDABRO CCCn1cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000333884068 363204649 /nfs/dbraw/zinc/20/46/49/363204649.db2.gz WUVOMSSRRXJGII-ZFWWWQNUSA-N 1 0 290.411 1.897 40 0 CDABRO Cc1cccc(Cl)c1NC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019365942 356483128 /nfs/dbraw/zinc/48/31/28/356483128.db2.gz PZMRXDNJCFAWEE-CYBMUJFWSA-N 1 0 297.830 1.669 40 0 in-vitro CDABRO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000019278317 356478971 /nfs/dbraw/zinc/47/89/71/356478971.db2.gz NJYHWCQPNHIKOI-JTQLQIEISA-N 1 0 272.345 1.104 40 0 CDABRO CCOC(=O)CCCSc1nc(N)cc(N)[nH+]1 ZINC000036644129 356876731 /nfs/dbraw/zinc/87/67/31/356876731.db2.gz CEIJXGBSSLOCGU-UHFFFAOYSA-N 1 0 256.331 1.076 40 0 CDABRO COC(=O)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036878960 356887950 /nfs/dbraw/zinc/88/79/50/356887950.db2.gz BYGKKJBFPZFROR-UHFFFAOYSA-N 1 0 286.372 1.539 40 0 CDABRO O=C(NC1CC[NH+](CCO)CC1)OCc1ccccc1 ZINC000079410890 356993447 /nfs/dbraw/zinc/99/34/47/356993447.db2.gz GRQLFMUQMMIMHU-UHFFFAOYSA-N 1 0 278.352 1.370 40 0 CDABRO C[C@H]1CCCC[N@@H+]1Cc1ccnc(N2CCOCC2)n1 ZINC000072397371 357831697 /nfs/dbraw/zinc/83/16/97/357831697.db2.gz DOESPACIFNRHPZ-ZDUSSCGKSA-N 1 0 276.384 1.688 40 0 CDABRO Cc1cc(N2CCO[C@@H](c3ccccn3)C2)nc(N)[nH+]1 ZINC000072388048 357831974 /nfs/dbraw/zinc/83/19/74/357831974.db2.gz IKYCIQPZPBIWHE-GFCCVEGCSA-N 1 0 271.324 1.340 40 0 CDABRO CN(CC[NH3+])Cc1ccccc1I ZINC000079431615 358070015 /nfs/dbraw/zinc/07/00/15/358070015.db2.gz CGOZYGFPWAMYJJ-UHFFFAOYSA-N 1 0 290.148 1.682 40 0 CDABRO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000082334256 358160737 /nfs/dbraw/zinc/16/07/37/358160737.db2.gz OSXQCUVXIBGRLJ-GFCCVEGCSA-N 1 0 275.352 1.925 40 0 CDABRO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000082332079 358160852 /nfs/dbraw/zinc/16/08/52/358160852.db2.gz YLIGKPBAHZMKCJ-NSHDSACASA-N 1 0 278.352 1.984 40 0 CDABRO COc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082307449 358158542 /nfs/dbraw/zinc/15/85/42/358158542.db2.gz JXERCUSNTHJJCM-CYBMUJFWSA-N 1 0 262.353 1.653 40 0 CDABRO COc1cc(COC[C@@H](O)C[NH3+])cc(Cl)c1OC ZINC000095096248 366434127 /nfs/dbraw/zinc/43/41/27/366434127.db2.gz VXWKUEYEARWKKD-VIFPVBQESA-N 1 0 275.732 1.193 40 0 CDABRO COc1cc2c(cc1OC)[C@H](CCCO)[NH2+]CC2 ZINC000004262567 358577702 /nfs/dbraw/zinc/57/77/02/358577702.db2.gz ATYQDEIGHYQNLP-LBPRGKRZSA-N 1 0 251.326 1.663 40 0 biogenic,in-vitro CDABRO CC(C)NC(=O)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC000096197248 358715921 /nfs/dbraw/zinc/71/59/21/358715921.db2.gz AIBGVAUJQSKMSR-UHFFFAOYSA-N 1 0 291.399 1.413 40 0 CDABRO Cc1ccc(C[N@H+]2CC[C@@H]([NH+](C)C)C[C@@H]2C(=O)[O-])cc1 ZINC000096198694 358717492 /nfs/dbraw/zinc/71/74/92/358717492.db2.gz HQRWHMJJEVALCL-HUUCEWRRSA-N 1 0 276.380 1.974 40 0 CDABRO COCC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccno1)C2 ZINC000096203228 358718988 /nfs/dbraw/zinc/71/89/88/358718988.db2.gz PEZINMJSHPJKIF-OAHLLOKOSA-N 1 0 293.367 1.392 40 0 CDABRO COc1ncccc1CN1CCOC[C@@]2(CC[N@H+](C)C2)C1 ZINC000096201919 358719184 /nfs/dbraw/zinc/71/91/84/358719184.db2.gz MISNYPRWRQRVLB-MRXNPFEDSA-N 1 0 291.395 1.244 40 0 CDABRO O=C(NC[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ccncc1 ZINC000096208182 358720236 /nfs/dbraw/zinc/72/02/36/358720236.db2.gz FBBHSXAQQRNOBT-DZGCQCFKSA-N 1 0 275.352 1.113 40 0 CDABRO O=C1CCC2(CCC([NH2+]Cc3ccccn3)CC2)N1 ZINC000096228516 358724205 /nfs/dbraw/zinc/72/42/05/358724205.db2.gz XHWJRDRENNWFMI-UHFFFAOYSA-N 1 0 259.353 1.763 40 0 CDABRO FC1(F)CC[NH2+]C[C@@]12CCN(c1cccnc1)C2 ZINC000096239563 358724593 /nfs/dbraw/zinc/72/45/93/358724593.db2.gz PEFIGRAUJYVZHC-GFCCVEGCSA-N 1 0 253.296 1.907 40 0 CDABRO CC(C)NC(=O)c1cc2c(nc1N(C)C)CC[N@H+](C)CC2 ZINC000096260347 358729513 /nfs/dbraw/zinc/72/95/13/358729513.db2.gz DQXLDMPRLSOFRG-UHFFFAOYSA-N 1 0 290.411 1.316 40 0 CDABRO COc1ccc(C)c2c(N3CC[NH2+]CC3)ccnc12 ZINC000215238837 358880349 /nfs/dbraw/zinc/88/03/49/358880349.db2.gz JSJBDPBKIOOKRC-UHFFFAOYSA-N 1 0 257.337 1.961 40 0 CDABRO COCC(=O)N1CCC[C@]2(C[C@@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000107790596 359028622 /nfs/dbraw/zinc/02/86/22/359028622.db2.gz HMKYSGSLGKCSAA-BBRMVZONSA-N 1 0 296.411 1.125 40 0 CDABRO COc1ccc(-c2nc(SCC[NH3+])n[nH]2)cc1OC ZINC000224978434 359541111 /nfs/dbraw/zinc/54/11/11/359541111.db2.gz ORBTZIIYPSROQP-UHFFFAOYSA-N 1 0 280.353 1.540 40 0 CDABRO CC[NH+](CC)C[C@@H]1OC[C@H](NC(=O)CC(C)(C)C)[C@H]1O ZINC000514289681 360120384 /nfs/dbraw/zinc/12/03/84/360120384.db2.gz YESKRMIKCMUCFH-SGMGOOAPSA-N 1 0 286.416 1.009 40 0 biogenic,in-vitro CDABRO CCOc1ccccc1OCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC000075752509 360360005 /nfs/dbraw/zinc/36/00/05/360360005.db2.gz NELSNTOHPHIZDE-ZDUSSCGKSA-N 1 0 292.379 1.627 40 0 CDABRO C[C@H]([NH2+]CCCN1CCOCC1)C(=O)NC1CCCCC1 ZINC000035312109 370003643 /nfs/dbraw/zinc/00/36/43/370003643.db2.gz VVEGDZORPPLSSB-AWEZNQCLSA-N 1 0 297.443 1.136 40 0 CDABRO CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@]2(C[NH3+])COC)cc1 ZINC000218451894 371988823 /nfs/dbraw/zinc/98/88/23/371988823.db2.gz FOVIHOKEFKTLNW-KFWWJZLASA-N 1 0 297.420 1.351 40 0 CDABRO C[N@@H+]1C[C@@H]2CN(Cc3ccccn3)CCN2C(C)(C)C1 ZINC000253407955 373708440 /nfs/dbraw/zinc/70/84/40/373708440.db2.gz WYFKYWURXVLRQY-OAHLLOKOSA-N 1 0 274.412 1.292 40 0 biogenic,in-vitro CDABRO [NH3+][C@@H]1COC[C@@H]1Oc1ccc(Br)cc1 ZINC000117371578 374538849 /nfs/dbraw/zinc/53/88/49/374538849.db2.gz GRTOEAAOPRPWSN-ZJUUUORDSA-N 1 0 258.115 1.554 40 0 CDABRO Cc1cc(N2CCC(n3cncn3)CC2)nc(C)n1 ZINC000078987991 374751522 /nfs/dbraw/zinc/75/15/22/374751522.db2.gz YRUGOXKWZMUBRI-UHFFFAOYSA-N 1 0 258.329 1.526 40 0 CDABRO Cc1ccc(CC[NH+]2CCC(NC(N)=O)CC2)cc1 ZINC000079466109 374810082 /nfs/dbraw/zinc/81/00/82/374810082.db2.gz VZVUHDJZCUTHQQ-UHFFFAOYSA-N 1 0 261.369 1.670 40 0 CDABRO CC(C)C[N@@H+]1CCc2nc(N)c(C(=O)N(C)C)cc2C1 ZINC000019700654 374776558 /nfs/dbraw/zinc/77/65/58/374776558.db2.gz YGROHKHDELACFJ-UHFFFAOYSA-N 1 0 276.384 1.380 40 0 CDABRO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)CCC(C)C)C2)C1 ZINC000306137941 374969660 /nfs/dbraw/zinc/96/96/60/374969660.db2.gz RKMZJADLJRRLOL-CQSZACIVSA-N 1 0 282.428 1.992 40 0 CDABRO c1ccc(COC[C@@]23CCCO[C@H]2CC[NH2+]C3)nc1 ZINC000306143474 374972381 /nfs/dbraw/zinc/97/23/81/374972381.db2.gz YDBHIZUJFQLFHF-GJZGRUSLSA-N 1 0 262.353 1.757 40 0 CDABRO CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCCOCC1 ZINC000225583640 375166715 /nfs/dbraw/zinc/16/67/15/375166715.db2.gz YXYIPNWDACGGCY-AWEZNQCLSA-N 1 0 283.416 1.683 40 0 CDABRO CCC[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000057551321 375528896 /nfs/dbraw/zinc/52/88/96/375528896.db2.gz DBLUSQISJVNLQP-ZDUSSCGKSA-N 1 0 267.417 1.461 40 0 CDABRO Fc1ccnc(Nc2nccc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000257206953 190011836 /nfs/dbraw/zinc/01/18/36/190011836.db2.gz BFQQLCQODCSWRT-SECBINFHSA-N 1 0 259.288 1.831 40 0 CDABRO c1cn2c(n1)nccc2[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000257235632 190016877 /nfs/dbraw/zinc/01/68/77/190016877.db2.gz GYSHTNMKYFQZLH-GFCCVEGCSA-N 1 0 272.352 1.698 40 0 CDABRO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCC[NH2+]1 ZINC000257285114 190027182 /nfs/dbraw/zinc/02/71/82/190027182.db2.gz PFSLVTYEVAYYFK-NSHDSACASA-N 1 0 273.340 1.246 40 0 CDABRO Cc1ncc(-c2cnc(C3CC[NH+](C)CC3)cn2)n1C ZINC000257291393 190027459 /nfs/dbraw/zinc/02/74/59/190027459.db2.gz QGTKDFYNEIZCTK-UHFFFAOYSA-N 1 0 271.368 1.995 40 0 CDABRO Cc1ncc(-c2nccnc2C[C@@H]2CCC[NH2+]C2)n1C ZINC000257309300 190031439 /nfs/dbraw/zinc/03/14/39/190031439.db2.gz UAJQYGDBRPTZHO-LBPRGKRZSA-N 1 0 271.368 1.728 40 0 CDABRO CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cn1 ZINC000257289161 190028019 /nfs/dbraw/zinc/02/80/19/190028019.db2.gz PXGQCEYUYXOBJW-AWEZNQCLSA-N 1 0 298.394 1.712 40 0 CDABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000257321137 190033341 /nfs/dbraw/zinc/03/33/41/190033341.db2.gz WAFGZRPKNBRENL-LLVKDONJSA-N 1 0 270.340 1.786 40 0 CDABRO c1cn(Cc2ccccc2)nc1OCC1=[NH+]CCN1 ZINC000218790584 375895912 /nfs/dbraw/zinc/89/59/12/375895912.db2.gz ORQBTPRNADGZBH-UHFFFAOYSA-N 1 0 256.309 1.312 40 0 CDABRO Cn1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)c1 ZINC000330508467 376180974 /nfs/dbraw/zinc/18/09/74/376180974.db2.gz CDELVLDRBPHYML-UHFFFAOYSA-N 1 0 251.330 1.447 40 0 CDABRO CCN(C[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)OC(C)(C)C ZINC000079409675 285023317 /nfs/dbraw/zinc/02/33/17/285023317.db2.gz ZSJLVLHBECTLJQ-RYUDHWBXSA-N 1 0 299.415 1.582 40 0 CDABRO C[C@H](NCCC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245227153 256868055 /nfs/dbraw/zinc/86/80/55/256868055.db2.gz CXABUZLGGVHQRG-MCIONIFRSA-N 1 0 269.433 1.706 40 0 CDABRO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000035093046 390141396 /nfs/dbraw/zinc/14/13/96/390141396.db2.gz NOPQVBCPBSUPGR-QMIVOQANSA-N 1 0 271.401 1.662 40 0 CDABRO CC(C)Oc1ncc([C@H](C[NH3+])N2CCCC2)cn1 ZINC000096511167 390530762 /nfs/dbraw/zinc/53/07/62/390530762.db2.gz CVASWBCQBNNNLS-LBPRGKRZSA-N 1 0 250.346 1.359 40 0 CDABRO CC[C@](O)(C[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207984 390616533 /nfs/dbraw/zinc/61/65/33/390616533.db2.gz XVIIDNBWPFHEFP-MFKMUULPSA-N 1 0 258.362 1.486 40 0 CDABRO CC(C)[N@@H+]1CCOC[C@]2(CN(CC3CC3)CCO2)C1 ZINC000096049757 390912391 /nfs/dbraw/zinc/91/23/91/390912391.db2.gz DEYWVAAANHORRH-HNNXBMFYSA-N 1 0 268.401 1.208 40 0 CDABRO C[C@H]1[C@H](c2ccccc2)[N@H+](C)CC[C@]12NC(=O)NC2=O ZINC000004011777 391417558 /nfs/dbraw/zinc/41/75/58/391417558.db2.gz FQTIIVLASVNVSP-NVBFEUDRSA-N 1 0 273.336 1.278 40 0 CDABRO C[NH+]1CCN(c2ccc(-n3cccc3)cc2C(N)=O)CC1 ZINC000226279618 393193096 /nfs/dbraw/zinc/19/30/96/393193096.db2.gz GITPZDNOEJYIAT-UHFFFAOYSA-N 1 0 284.363 1.328 40 0 CDABRO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1C ZINC000005184328 170074405 /nfs/dbraw/zinc/07/44/05/170074405.db2.gz OMASIHZWNKQAAO-UHFFFAOYSA-N 1 0 277.368 1.310 40 0 CDABRO C[C@@H](c1ccccc1)N1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000005437185 170099033 /nfs/dbraw/zinc/09/90/33/170099033.db2.gz VPTURGDGEBLVCX-WCQGTBRESA-N 1 0 296.417 1.897 40 0 CDABRO C[NH+](C)[C@@H](CCC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C ZINC000005713839 170132229 /nfs/dbraw/zinc/13/22/29/170132229.db2.gz XTCMWSRTTSMIQI-LBPRGKRZSA-N 1 0 299.459 1.916 40 0 CDABRO CCCC[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000007261668 170273860 /nfs/dbraw/zinc/27/38/60/170273860.db2.gz VNFLHBNAZZULDD-UHFFFAOYSA-N 1 0 266.341 1.449 40 0 CDABRO NC(=O)c1cc2ccccc2nc1C1CC[NH2+]CC1 ZINC000019376245 170778396 /nfs/dbraw/zinc/77/83/96/170778396.db2.gz CIZOFWBEYACLPU-UHFFFAOYSA-N 1 0 255.321 1.801 40 0 CDABRO Cc1cc2oc(=O)cc(CN3CC[NH2+]CC3)c2cc1C ZINC000020348988 171154784 /nfs/dbraw/zinc/15/47/84/171154784.db2.gz SALCFDCYVOMWPP-UHFFFAOYSA-N 1 0 272.348 1.815 40 0 CDABRO COc1ccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000022173807 171369165 /nfs/dbraw/zinc/36/91/65/171369165.db2.gz SVLWYWYUBOCXDQ-MBNYWOFBSA-N 1 0 294.395 1.813 40 0 CDABRO CCOC(=O)CC1([NH+]2CCOCC2)CCCCC1 ZINC000072210232 176342863 /nfs/dbraw/zinc/34/28/63/176342863.db2.gz VCZOCFHYHZUQLZ-UHFFFAOYSA-N 1 0 255.358 1.975 40 0 CDABRO CNc1cc(C[NH+](C)C)nc([C@@H]2CCCCN2C(C)=O)n1 ZINC000072352017 176374570 /nfs/dbraw/zinc/37/45/70/176374570.db2.gz HOCPBCICCGNOMT-ZDUSSCGKSA-N 1 0 291.399 1.653 40 0 CDABRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000072370003 176384021 /nfs/dbraw/zinc/38/40/21/176384021.db2.gz LHNABXJTALOKTQ-CYBMUJFWSA-N 1 0 299.378 1.496 40 0 CDABRO C[N@@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000072379356 176386686 /nfs/dbraw/zinc/38/66/86/176386686.db2.gz MFPSCQAJVWDAPZ-CYBMUJFWSA-N 1 0 283.335 1.891 40 0 CDABRO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[NH2+]2)n1 ZINC000072382160 176388197 /nfs/dbraw/zinc/38/81/97/176388197.db2.gz OCIJKUUMKIJNJV-SNVBAGLBSA-N 1 0 256.313 1.743 40 0 CDABRO Nc1ccc(C[C@@H]2CCC[N@H+](CCc3ccncc3)C2)nn1 ZINC000072387353 176392527 /nfs/dbraw/zinc/39/25/27/176392527.db2.gz WPQCZGPNYCFSBM-HNNXBMFYSA-N 1 0 297.406 1.951 40 0 CDABRO O=C1C[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccccc1 ZINC000096157202 260563721 /nfs/dbraw/zinc/56/37/21/260563721.db2.gz VMTDYXMGHBLEEU-OAHLLOKOSA-N 1 0 258.321 1.315 40 0 CDABRO O=C(c1ccco1)N1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC000096241219 265345973 /nfs/dbraw/zinc/34/59/73/265345973.db2.gz RXKHSWOZIHYSTD-AAEUAGOBSA-N 1 0 252.289 1.443 40 0 CDABRO COCC[N@@H+]1CCC[C@H]1c1nc(C)ncc1CNC(C)=O ZINC000257235446 277223593 /nfs/dbraw/zinc/22/35/93/277223593.db2.gz GXWIPYVDZFYGFD-AWEZNQCLSA-N 1 0 292.383 1.204 40 0 CDABRO CC(C)N(C(=O)C[NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391112 277523496 /nfs/dbraw/zinc/52/34/96/277523496.db2.gz ZPVRCGFXCQLOQU-UHFFFAOYSA-N 1 0 299.415 1.582 40 0 CDABRO CS[C@H]1CCC[C@H]1[N@H+](C)CCC(=O)N1CCOCC1 ZINC000076147030 278162260 /nfs/dbraw/zinc/16/22/60/278162260.db2.gz OOCBMNKWPYPHHR-OLZOCXBDSA-N 1 0 286.441 1.451 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079409270 279299423 /nfs/dbraw/zinc/29/94/23/279299423.db2.gz VBFPJQJIDUCNOW-LBPRGKRZSA-N 1 0 299.415 1.582 40 0 CDABRO COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@H](C2)[N@@H+](C)CC[C@@]314 ZINC000000517836 295278584 /nfs/dbraw/zinc/27/85/84/295278584.db2.gz LLPOLZWFYMWNKH-FVEFGIFQSA-N 1 0 299.370 1.933 40 0 CDABRO CC[C@@H](C)OC(=O)CN1c2ccccc2CC[C@H]([NH3+])C1=O ZINC000040442806 1165959144 /nfs/dbraw/zinc/95/91/44/1165959144.db2.gz OGFBGOGTSXEOKK-YPMHNXCESA-N 1 0 290.363 1.635 40 0 CDABRO CC[C@H](C)OC(=O)CN1c2ccccc2CC[C@H]([NH3+])C1=O ZINC000040442807 1165959364 /nfs/dbraw/zinc/95/93/64/1165959364.db2.gz OGFBGOGTSXEOKK-AAEUAGOBSA-N 1 0 290.363 1.635 40 0 CDABRO CC(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096080871 185090741 /nfs/dbraw/zinc/09/07/41/185090741.db2.gz ODNSROBKFBDQJA-GASCZTMLSA-N 1 0 273.380 1.628 40 0 CDABRO [NH3+]CC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096531598 342166149 /nfs/dbraw/zinc/16/61/49/342166149.db2.gz MFZZCGKXPLSZQZ-UHFFFAOYSA-N 1 0 257.341 1.647 40 0 CDABRO Cc1cc(CN2Cc3ccnn3CC[C@@H]2C[NH+](C)C)[nH]n1 ZINC000585096979 342211818 /nfs/dbraw/zinc/21/18/18/342211818.db2.gz GGXRAPDIARYIOR-CQSZACIVSA-N 1 0 288.399 1.251 40 0 CDABRO CC(C)N1C[C@]2(CCC[N@H+](C[C@@H]3CCCO3)C2)C1=O ZINC000585099567 342212227 /nfs/dbraw/zinc/21/22/27/342212227.db2.gz QMPQJYRSQSHVIS-DZGCQCFKSA-N 1 0 266.385 1.498 40 0 CDABRO CN(C)c1nc([C@@H]2CCC[N@H+](CCO)C2)cn2cccc12 ZINC000585178751 342232590 /nfs/dbraw/zinc/23/25/90/342232590.db2.gz FUWQQVAGUJYVDM-CYBMUJFWSA-N 1 0 288.395 1.572 40 0 CDABRO CNc1cc([C@@H]2CCC[N@@H+]2CC2(O)CCOCC2)ccn1 ZINC000257322791 362586043 /nfs/dbraw/zinc/58/60/43/362586043.db2.gz WHKMLJMIORTYOP-AWEZNQCLSA-N 1 0 291.395 1.802 40 0 CDABRO COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000000000583 346023651 /nfs/dbraw/zinc/02/36/51/346023651.db2.gz LLPOLZWFYMWNKH-RHMWETHNSA-N 1 0 299.370 1.933 40 0 CDABRO O=C(NCCC(F)(F)F)[C@H]1[NH2+]CCc2ccccc21 ZINC000063100935 362800291 /nfs/dbraw/zinc/80/02/91/362800291.db2.gz RLSZRCYDJQQZKW-NSHDSACASA-N 1 0 272.270 1.942 40 0 CDABRO O=C1CCC[C@@H]2[C@@H](CC[N@H+]2CCOc2ccc(F)cc2)N1 ZINC000019713258 348736574 /nfs/dbraw/zinc/73/65/74/348736574.db2.gz JIJYSRIQIJSQHJ-HUUCEWRRSA-N 1 0 292.354 1.948 40 0 CDABRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000136400102 363031903 /nfs/dbraw/zinc/03/19/03/363031903.db2.gz SVOCTDXHEGFSLH-TZMCWYRMSA-N 1 0 286.379 1.909 40 0 CDABRO CNC(=O)C[NH+]1CCC(CN(C)c2cccc(C)n2)CC1 ZINC000157656386 188330412 /nfs/dbraw/zinc/33/04/12/188330412.db2.gz SAXFXUKKOTZKQS-UHFFFAOYSA-N 1 0 290.411 1.284 40 0 CDABRO COc1cc(OC)cc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000013632416 356351127 /nfs/dbraw/zinc/35/11/27/356351127.db2.gz ZHBBRGVNNUBTKL-UHFFFAOYSA-N 1 0 292.379 1.920 40 0 CDABRO OC[C@H]1CCC[N@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019405935 356484725 /nfs/dbraw/zinc/48/47/25/356484725.db2.gz BRFMGIFYRIRRDH-ZDUSSCGKSA-N 1 0 284.363 1.743 40 0 CDABRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)N1CCCCC1 ZINC000019496377 356487555 /nfs/dbraw/zinc/48/75/55/356487555.db2.gz GMLPYRJUEHSNAR-CYBMUJFWSA-N 1 0 289.445 1.181 40 0 CDABRO CCCC(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019501174 356487837 /nfs/dbraw/zinc/48/78/37/356487837.db2.gz ARZVVBBVHGXFAS-UHFFFAOYSA-N 1 0 288.395 1.628 40 0 CDABRO C[C@H]([NH3+])C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000019079596 356474586 /nfs/dbraw/zinc/47/45/86/356474586.db2.gz KRKQHJGEKMMAOI-LBPRGKRZSA-N 1 0 290.363 1.304 40 0 CDABRO O[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1[NH2+]C1CC1 ZINC000019293877 356479609 /nfs/dbraw/zinc/47/96/09/356479609.db2.gz PJIQZHAXHBEMPI-HUUCEWRRSA-N 1 0 264.344 1.513 40 0 CDABRO CC(C)C[NH2+][C@@H]1[C@@H](C2CCCCC2)C[C@@H](O)[C@H]1O ZINC000072321660 357245977 /nfs/dbraw/zinc/24/59/77/357245977.db2.gz KJEINXZKTOZHTB-KBUPBQIOSA-N 1 0 255.402 1.923 40 0 biogenic,in-vitro CDABRO C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000064142120 357520368 /nfs/dbraw/zinc/52/03/68/357520368.db2.gz SGZVZXBJGQCOHK-UHFFFAOYSA-N 1 0 250.317 1.784 40 0 CDABRO O=C1N(Cc2ccc(F)cc2)CC[C@]12CCC[NH2+]C2 ZINC000023509057 358754113 /nfs/dbraw/zinc/75/41/13/358754113.db2.gz NYYLEHDUBYHOJP-HNNXBMFYSA-N 1 0 262.328 1.928 40 0 CDABRO CC[NH+](CC)Cc1cn2c(n1)CN([C@@H]1CCOC1)CC2 ZINC000096197194 358715913 /nfs/dbraw/zinc/71/59/13/358715913.db2.gz VWJGCYRIRAOHAD-CQSZACIVSA-N 1 0 278.400 1.329 40 0 CDABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1cccnc1 ZINC000096200847 358718499 /nfs/dbraw/zinc/71/84/99/358718499.db2.gz BTYBTBPPPDRRIC-CVEARBPZSA-N 1 0 298.390 1.797 40 0 CDABRO Cc1ccccc1N1C[C@@]2(CC[N@H+](CCO)C2)CC1=O ZINC000096239425 358724957 /nfs/dbraw/zinc/72/49/57/358724957.db2.gz WEPAXOOTBSFMOL-INIZCTEOSA-N 1 0 274.364 1.416 40 0 CDABRO O=C1[C@H]2C[N@@H+]([C@@H]3CCOC3)C[C@H]2CN1c1ccsc1 ZINC000096245219 358725764 /nfs/dbraw/zinc/72/57/64/358725764.db2.gz SVYWNYIMYNYFGQ-LOWVWBTDSA-N 1 0 278.377 1.432 40 0 CDABRO CO[C@@H]1C[C@H]2CN(Cc3cccc(C)n3)CC[N@@H+]2C1 ZINC000096249526 358726607 /nfs/dbraw/zinc/72/66/07/358726607.db2.gz KIANPNVETHFGCW-LSDHHAIUSA-N 1 0 261.369 1.295 40 0 CDABRO c1csc(COC[C@@H]2CC[C@H]3[NH2+]CCO[C@@H]32)n1 ZINC000096250116 358726902 /nfs/dbraw/zinc/72/69/02/358726902.db2.gz KZPUTSPATLCNNS-HOSYDEDBSA-N 1 0 254.355 1.427 40 0 CDABRO Cn1cc(-c2ncnc3c2CC[N@@H+]([C@@H]2CCOC2)CC3)cn1 ZINC000096255221 358728317 /nfs/dbraw/zinc/72/83/17/358728317.db2.gz LTNLGLGWMRLCBJ-CYBMUJFWSA-N 1 0 299.378 1.067 40 0 CDABRO CC(C)N(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096268900 358731205 /nfs/dbraw/zinc/73/12/05/358731205.db2.gz SQZLXPUBUODKCY-GFCCVEGCSA-N 1 0 254.374 1.402 40 0 CDABRO C[C@@H](OC(=O)[C@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000249693580 365192035 /nfs/dbraw/zinc/19/20/35/365192035.db2.gz OCXRKDNYHWNNCE-ZJUUUORDSA-N 1 0 257.330 1.259 40 0 CDABRO CO[C@H]1CCN(C(=O)Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000161112680 367123275 /nfs/dbraw/zinc/12/32/75/367123275.db2.gz UKLNDPHLDGONKK-MNOVXSKESA-N 1 0 268.382 1.255 40 0 CDABRO CCC(CC)(C[NH3+])C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000225480137 189753519 /nfs/dbraw/zinc/75/35/19/189753519.db2.gz GZZXQOLJLCEJKR-CYBMUJFWSA-N 1 0 254.374 1.391 40 0 CDABRO CCc1ccc([C@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)CC)cc1 ZINC000218495849 372918748 /nfs/dbraw/zinc/91/87/48/372918748.db2.gz BDLRAUUMHXAQOZ-YNEHKIRRSA-N 1 0 253.367 1.477 40 0 CDABRO O[C@@H](C[NH2+]C1CC1)c1ccc(Br)cn1 ZINC000130122113 374043405 /nfs/dbraw/zinc/04/34/05/374043405.db2.gz ZJCUMJUPCWRNMK-JTQLQIEISA-N 1 0 257.131 1.630 40 0 CDABRO O=C(Nc1ccncc1)c1nc2c(s1)CC[NH2+]CC2 ZINC000306135113 374969982 /nfs/dbraw/zinc/96/99/82/374969982.db2.gz OICMBBRPIYGXBV-UHFFFAOYSA-N 1 0 274.349 1.479 40 0 CDABRO C[C@H]1CCCC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000225772548 375201620 /nfs/dbraw/zinc/20/16/20/375201620.db2.gz GSWPIKPDAOVEGS-AWEZNQCLSA-N 1 0 267.417 1.273 40 0 CDABRO Cc1cc(NC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)no1 ZINC000132507094 375507876 /nfs/dbraw/zinc/50/78/76/375507876.db2.gz RROTZRKVZPSHEU-JTQLQIEISA-N 1 0 281.356 1.857 40 0 CDABRO CCn1cc(C[NH2+]Cc2cnn(CCF)c2)c(C)n1 ZINC000256049686 190002068 /nfs/dbraw/zinc/00/20/68/190002068.db2.gz AYPHEHYJRGZZGT-UHFFFAOYSA-N 1 0 265.336 1.667 40 0 CDABRO OCCCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256051861 190003645 /nfs/dbraw/zinc/00/36/45/190003645.db2.gz KUDJTHGORLXUMS-UHFFFAOYSA-N 1 0 251.252 1.308 40 0 CDABRO CC[NH+](CC)CCNCc1cnn(CC(F)F)c1 ZINC000256054902 190005791 /nfs/dbraw/zinc/00/57/91/190005791.db2.gz YGSSRDYPMQTNRJ-UHFFFAOYSA-N 1 0 260.332 1.580 40 0 CDABRO CCCn1nccc1-c1nccnc1C[C@@H]1CC[NH2+]C1 ZINC000257230573 190016494 /nfs/dbraw/zinc/01/64/94/190016494.db2.gz GCWYVJKTIKWKCF-LBPRGKRZSA-N 1 0 271.368 1.902 40 0 CDABRO CO[C@@H]1CCCOC12CC[NH+](Cc1ccnc(C)n1)CC2 ZINC000257251998 190019738 /nfs/dbraw/zinc/01/97/38/190019738.db2.gz JTEAYBVEZIOPIP-OAHLLOKOSA-N 1 0 291.395 1.945 40 0 CDABRO Cn1nccc1-c1cnc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000257266906 190023228 /nfs/dbraw/zinc/02/32/28/190023228.db2.gz MFCOOGLWHQSCOR-LLVKDONJSA-N 1 0 257.341 1.419 40 0 CDABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2-c2cn[nH]c2)C1 ZINC000257256676 190021579 /nfs/dbraw/zinc/02/15/79/190021579.db2.gz KMLLXLWXVLHALP-GFCCVEGCSA-N 1 0 287.367 1.693 40 0 CDABRO C[NH2+]CCN1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257260397 190022360 /nfs/dbraw/zinc/02/23/60/190022360.db2.gz LCRQXGVUVJULKA-VHDGCEQUSA-N 1 0 261.369 1.390 40 0 CDABRO Nc1nccnc1C[C@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000257309739 190031165 /nfs/dbraw/zinc/03/11/65/190031165.db2.gz UCFKLSBTMMAQSW-GFCCVEGCSA-N 1 0 284.367 1.304 40 0 CDABRO C[C@H](O)CCC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000331166242 376648095 /nfs/dbraw/zinc/64/80/95/376648095.db2.gz BGCOPQSAOAZNBG-SRVKXCTJSA-N 1 0 263.403 1.093 40 0 CDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2nccs2)C1 ZINC000096188189 256815948 /nfs/dbraw/zinc/81/59/48/256815948.db2.gz CUKPXCHLODZCPV-GFCCVEGCSA-N 1 0 291.424 1.533 40 0 CDABRO NC(=[NH2+])NCCSCc1ccc2ccccc2n1 ZINC000001580501 390139320 /nfs/dbraw/zinc/13/93/20/390139320.db2.gz SVJHNCFQMNKAMB-UHFFFAOYSA-N 1 0 260.366 1.951 40 0 CDABRO O=c1c2c(nc(C3CC3)n1Cc1cccnc1)CC[NH2+]C2 ZINC000096516491 390533817 /nfs/dbraw/zinc/53/38/17/390533817.db2.gz XYJOJWIHPYASKR-UHFFFAOYSA-N 1 0 282.347 1.210 40 0 CDABRO C[NH+]1CCN(c2ncccc2[C@@H]2CCCCN2C=O)CC1 ZINC000072216614 390622210 /nfs/dbraw/zinc/62/22/10/390622210.db2.gz MBUNPQVJQKXUBH-HNNXBMFYSA-N 1 0 288.395 1.517 40 0 CDABRO O=C(C[C@@H](c1ccccc1)[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000072208326 390617086 /nfs/dbraw/zinc/61/70/86/390617086.db2.gz GTLQTNJYWYMNSI-JKSUJKDBSA-N 1 0 288.391 1.771 40 0 CDABRO COc1cc(Br)cc2c1OC[C@H](C[NH3+])C2 ZINC000095743788 390911715 /nfs/dbraw/zinc/91/17/15/390911715.db2.gz XDXLKCSVKBHRRH-ZETCQYMHSA-N 1 0 272.142 1.968 40 0 CDABRO O=C1CC2(CC[NH2+]CC2)C(=O)N1Cc1cccc(Cl)c1 ZINC000096157190 390913360 /nfs/dbraw/zinc/91/33/60/390913360.db2.gz RJBZYRINNWOMRF-UHFFFAOYSA-N 1 0 292.766 1.969 40 0 CDABRO C[C@H]1CCC[C@H]1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020707358 390983756 /nfs/dbraw/zinc/98/37/56/390983756.db2.gz NOPQVBCPBSUPGR-VQJWOFKYSA-N 1 0 271.401 1.662 40 0 CDABRO [NH3+]C[C@H](c1ccccc1Br)N1CCOCC1 ZINC000019510656 391478609 /nfs/dbraw/zinc/47/86/09/391478609.db2.gz QWXBRRAQWJPYBQ-GFCCVEGCSA-N 1 0 285.185 1.781 40 0 CDABRO Nc1ncc(C[NH2+]Cc2ccc3c(c2)OCO3)cn1 ZINC000062717374 391568798 /nfs/dbraw/zinc/56/87/98/391568798.db2.gz XRLVVLVLDWXEAJ-UHFFFAOYSA-N 1 0 258.281 1.077 40 0 CDABRO CN1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257328030 391650170 /nfs/dbraw/zinc/65/01/70/391650170.db2.gz XDVHZWGKMZBYKV-AWEZNQCLSA-N 1 0 260.341 1.020 40 0 CDABRO CNc1ncc(C[NH2+]Cc2ccc3c(c2)OCO3)cn1 ZINC000062717453 392803802 /nfs/dbraw/zinc/80/38/02/392803802.db2.gz DOUPKWNUQJXHRW-UHFFFAOYSA-N 1 0 272.308 1.537 40 0 CDABRO C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000082311367 135005260 /nfs/dbraw/zinc/00/52/60/135005260.db2.gz WDSDBFRNHNVCRC-OAHLLOKOSA-N 1 0 287.407 1.677 40 0 CDABRO CO[C@H]1CCN(C(=O)c2ccsc2)[C@@H](C[NH3+])C1 ZINC000161068779 286056650 /nfs/dbraw/zinc/05/66/50/286056650.db2.gz GWLGMPGMBOLZKK-MNOVXSKESA-N 1 0 254.355 1.326 40 0 CDABRO CC[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000002694390 169820691 /nfs/dbraw/zinc/82/06/91/169820691.db2.gz MPRBWVAUDNNFCX-KGLIPLIRSA-N 1 0 281.396 1.910 40 0 CDABRO [NH3+]C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000004299053 169954861 /nfs/dbraw/zinc/95/48/61/169954861.db2.gz CJQKCJQYAHNUGQ-UHFFFAOYSA-N 1 0 274.773 1.452 40 0 CDABRO c1ccc2c(c1)nc(N1CC[NH2+]CC1)n2C1CSC1 ZINC000004624157 169991140 /nfs/dbraw/zinc/99/11/40/169991140.db2.gz LPNPQAZGGJZJPZ-UHFFFAOYSA-N 1 0 274.393 1.734 40 0 CDABRO C[C@@H](O)C[NH2+]CCNCc1cccc(Br)c1 ZINC000022075397 171352347 /nfs/dbraw/zinc/35/23/47/171352347.db2.gz WLYFWSGOILMYTK-SNVBAGLBSA-N 1 0 287.201 1.509 40 0 CDABRO COc1ccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000022165627 171365573 /nfs/dbraw/zinc/36/55/73/171365573.db2.gz HUYPIKDZTWEIMM-TYNCELHUSA-N 1 0 294.395 1.813 40 0 CDABRO CC[NH+](CC)CCNCC(=O)N1c2ccccc2C[C@@H]1C ZINC000022586242 171393556 /nfs/dbraw/zinc/39/35/56/171393556.db2.gz OXNJBNUHZSCFJF-AWEZNQCLSA-N 1 0 289.423 1.896 40 0 CDABRO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cccs1 ZINC000072203298 176341320 /nfs/dbraw/zinc/34/13/20/176341320.db2.gz MHAZBZGQGBDIOB-VIFPVBQESA-N 1 0 260.384 1.121 40 0 CDABRO Cc1cc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)ccn1 ZINC000072366670 176381972 /nfs/dbraw/zinc/38/19/72/176381972.db2.gz HIOBCRUCSZCBAQ-CQSZACIVSA-N 1 0 261.369 1.658 40 0 CDABRO Cc1ccccc1OC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072367788 176382538 /nfs/dbraw/zinc/38/25/38/176382538.db2.gz YECAZPPPFCCAAV-ZDUSSCGKSA-N 1 0 262.353 1.571 40 0 CDABRO Cc1csc(NC(=O)c2cnc([C@H]3CCC[NH2+]3)cn2)n1 ZINC000072387025 176392900 /nfs/dbraw/zinc/39/29/00/176392900.db2.gz OUZYSYQKAFEZSF-SECBINFHSA-N 1 0 289.364 1.918 40 0 CDABRO COC(=O)[C@@H]1C[C@@]2(c3ccccc3NC2=O)[N@@H+]2CCC[C@@H]12 ZINC000216297969 262154615 /nfs/dbraw/zinc/15/46/15/262154615.db2.gz GILNPVJKDQWNGY-HICWGWBUSA-N 1 0 286.331 1.491 40 0 CDABRO C[C@H]1[C@H]([NH3+])C(=O)N1c1cccc(Br)c1 ZINC000225776692 280113562 /nfs/dbraw/zinc/11/35/62/280113562.db2.gz MTVHDCFSVLPWIQ-RCOVLWMOSA-N 1 0 255.115 1.512 40 0 CDABRO C[C@@H]1Oc2ncc(Cl)cc2N(CC[NH+](C)C)C1=O ZINC000005723217 274425999 /nfs/dbraw/zinc/42/59/99/274425999.db2.gz PJGMSCQORHCNPE-QMMMGPOBSA-N 1 0 269.732 1.411 40 0 CDABRO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[NH2+]C[C@H]21 ZINC000306124945 275032571 /nfs/dbraw/zinc/03/25/71/275032571.db2.gz CCTOPIBNKMBDMB-UKRRQHHQSA-N 1 0 286.356 1.591 40 0 CDABRO CC(C)[NH2+][C@@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000306127983 275967316 /nfs/dbraw/zinc/96/73/16/275967316.db2.gz GNAUTWXVVQWKJL-CYBMUJFWSA-N 1 0 276.384 1.169 40 0 CDABRO CCC[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2CC1CC1 ZINC000306141446 276014277 /nfs/dbraw/zinc/01/42/77/276014277.db2.gz VWKUIKSVVUPRLY-LSDHHAIUSA-N 1 0 273.380 1.989 40 0 CDABRO COCCn1ccnc1[C@H]1C[NH2+]Cc2ccccc21 ZINC000306142999 277243261 /nfs/dbraw/zinc/24/32/61/277243261.db2.gz XQFLTAWPDZVZMP-AWEZNQCLSA-N 1 0 257.337 1.765 40 0 CDABRO CC(C)(O)C[NH2+][C@@H]1[C@@H](C2CCCCC2)C[C@@H](O)[C@H]1O ZINC000072321641 277317711 /nfs/dbraw/zinc/31/77/11/277317711.db2.gz KKRZJBWBZYVFHO-AAVRWANBSA-N 1 0 271.401 1.038 40 0 biogenic,in-vitro CDABRO CC(=O)N(C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000079418104 277974177 /nfs/dbraw/zinc/97/41/77/277974177.db2.gz GVVGBXZQSROWQD-CABCVRRESA-N 1 0 295.427 1.362 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079408570 278377351 /nfs/dbraw/zinc/37/73/51/278377351.db2.gz ARQLPGGJOUMGKO-GFCCVEGCSA-N 1 0 269.389 1.419 40 0 CDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Br)cc1 ZINC000054370251 278837563 /nfs/dbraw/zinc/83/75/63/278837563.db2.gz IZZXIONWUVDTTH-SECBINFHSA-N 1 0 283.169 1.883 40 0 CDABRO CCOC(=O)[C@H]1[C@@H]([NH+](C)C)C(C)(C)[C@H]1C(=O)OCC ZINC000005340732 279623168 /nfs/dbraw/zinc/62/31/68/279623168.db2.gz WZCOQWVIQBLQKQ-GMTAPVOTSA-N 1 0 271.357 1.315 40 0 CDABRO CN(C(=O)OC(C)(C)C)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079409090 288871748 /nfs/dbraw/zinc/87/17/48/288871748.db2.gz YVAGOYXVYDMXGK-UHFFFAOYSA-N 1 0 285.388 1.239 40 0 CDABRO Cc1ccc(N2CC[C@H](C[NH3+])S2(=O)=O)cc1Cl ZINC000260777622 328068918 /nfs/dbraw/zinc/06/89/18/328068918.db2.gz QEACSVXELWUVOW-SNVBAGLBSA-N 1 0 274.773 1.516 40 0 CDABRO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000072794033 567903148 /nfs/dbraw/zinc/90/31/48/567903148.db2.gz FZSRRBQGIVWLOS-CYBMUJFWSA-N 1 0 262.353 1.653 40 0 CDABRO COC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC000199419674 1184767676 /nfs/dbraw/zinc/76/76/76/1184767676.db2.gz CWWWCFBOPUOWOI-ZDUSSCGKSA-N 1 0 291.395 1.445 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn(C2CCCC2)c1C ZINC001548448017 969380081 /nfs/dbraw/zinc/38/00/81/969380081.db2.gz DXVUOYBONLJMLE-UONOGXRCSA-N 1 0 292.383 1.023 40 0 CDABRO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[C@@H](C[NH+]1CCCC1)CO2 ZINC000575404332 342451812 /nfs/dbraw/zinc/45/18/12/342451812.db2.gz RUCWSNXROWNORE-QLFBSQMISA-N 1 0 292.423 1.746 40 0 CDABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096039318 185069189 /nfs/dbraw/zinc/06/91/89/185069189.db2.gz WPFGANVDWNSCQZ-CVEARBPZSA-N 1 0 293.411 1.828 40 0 CDABRO C[N@@H+]1CCC[C@]2(CN(Cc3nccs3)CCO2)C1 ZINC000096049063 185073123 /nfs/dbraw/zinc/07/31/23/185073123.db2.gz XLVHOLYAMPSFAF-CYBMUJFWSA-N 1 0 267.398 1.440 40 0 CDABRO C[NH+](C)C[C@H]1CO[C@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096051915 185074640 /nfs/dbraw/zinc/07/46/40/185074640.db2.gz OEOZLFWSQPTAQX-HOCLYGCPSA-N 1 0 294.395 1.449 40 0 CDABRO Cn1cc([C@@H]2CC(=O)NC23CC[NH+](CC2CC2)CC3)cn1 ZINC000096061502 185083014 /nfs/dbraw/zinc/08/30/14/185083014.db2.gz XJSFEURDCLPNJC-AWEZNQCLSA-N 1 0 288.395 1.268 40 0 CDABRO C[C@H]1N(C)C(=O)COC12CC[NH+](Cc1ccsc1)CC2 ZINC000096062222 185083126 /nfs/dbraw/zinc/08/31/26/185083126.db2.gz YFLJVOAUBDTUEI-GFCCVEGCSA-N 1 0 294.420 1.960 40 0 CDABRO NS(=O)(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000079035574 361881775 /nfs/dbraw/zinc/88/17/75/361881775.db2.gz CSONNOXBBMWZJX-UHFFFAOYSA-N 1 0 297.424 1.356 40 0 CDABRO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2CC2(O)CCCC2)N1 ZINC000585282593 342258477 /nfs/dbraw/zinc/25/84/77/342258477.db2.gz HRUDKQKDYKIBHS-QWHCGFSZSA-N 1 0 266.385 1.425 40 0 CDABRO C[NH+](C)[C@@H]1CN(Cc2cccnc2)C[C@@H]2CCCO[C@H]12 ZINC000096040580 282227659 /nfs/dbraw/zinc/22/76/59/282227659.db2.gz DRNFPWLZCZTDMB-XHSDSOJGSA-N 1 0 275.396 1.623 40 0 CDABRO CO[C@@H]1Cn2nccc2C[N@H+](CCc2ccccc2)C1 ZINC000247881911 362136350 /nfs/dbraw/zinc/13/63/50/362136350.db2.gz QJAVIZPYMQJTAS-INIZCTEOSA-N 1 0 271.364 1.956 40 0 CDABRO Cn1cccc1C(=O)NCC[C@H]1CN(C)Cc2ccnn21 ZINC000248109523 362151280 /nfs/dbraw/zinc/15/12/80/362151280.db2.gz GTMZSGPUUVVDMD-LBPRGKRZSA-N 1 0 287.367 1.028 40 0 CDABRO Cn1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cn1 ZINC000503722415 362302785 /nfs/dbraw/zinc/30/27/85/362302785.db2.gz BKJOGTNJQQRGBB-DLBZAZTESA-N 1 0 297.406 1.664 40 0 CDABRO OC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C[C@H]1O ZINC000085468330 179073396 /nfs/dbraw/zinc/07/33/96/179073396.db2.gz OLNZAZVQTPDZEU-SUZMYJTESA-N 1 0 257.280 1.186 40 0 CDABRO c1nc(NC2CC2)cc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000413053582 362751826 /nfs/dbraw/zinc/75/18/26/362751826.db2.gz NXOUYKDDFGPVBH-ZDUSSCGKSA-N 1 0 273.384 1.725 40 0 CDABRO CC(C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000143850787 348725324 /nfs/dbraw/zinc/72/53/24/348725324.db2.gz HPIPZPWZIAEUOB-GHMZBOCLSA-N 1 0 258.362 1.212 40 0 CDABRO Cc1nc([C@H]2CCC[NH2+]C2)ncc1C(=O)NCC1CC1 ZINC000019766896 348736352 /nfs/dbraw/zinc/73/63/52/348736352.db2.gz NMNCWCKBSNKVMU-LBPRGKRZSA-N 1 0 274.368 1.392 40 0 CDABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000107711030 186188092 /nfs/dbraw/zinc/18/80/92/186188092.db2.gz QDVIMXPIVJKTEN-CABCVRRESA-N 1 0 279.384 1.438 40 0 CDABRO O=C(c1ccccc1Cl)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320944 358470840 /nfs/dbraw/zinc/47/08/40/358470840.db2.gz UCQTWYBNCMWYJT-NXEZZACHSA-N 1 0 250.729 1.631 40 0 CDABRO CCOC(=O)CC[NH+]1CCC(C(=O)OCC)CC1 ZINC000002576672 355976018 /nfs/dbraw/zinc/97/60/18/355976018.db2.gz BESKWXROPNXQKB-UHFFFAOYSA-N 1 0 257.330 1.215 40 0 CDABRO CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000002694393 355979266 /nfs/dbraw/zinc/97/92/66/355979266.db2.gz MPRBWVAUDNNFCX-ZIAGYGMSSA-N 1 0 281.396 1.910 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)cc1 ZINC000004497850 356033112 /nfs/dbraw/zinc/03/31/12/356033112.db2.gz VQNJVEUIDSWMDN-CQSZACIVSA-N 1 0 289.379 1.534 40 0 CDABRO Cn1cc(CN(CCC[NH+](C)C)Cc2ccco2)cn1 ZINC000019290616 356480018 /nfs/dbraw/zinc/48/00/18/356480018.db2.gz UWSTZRHZWFOJRW-UHFFFAOYSA-N 1 0 276.384 1.967 40 0 CDABRO [NH3+]C1CCN(C(=O)CCn2ccc3ccncc32)CC1 ZINC000019404739 356484321 /nfs/dbraw/zinc/48/43/21/356484321.db2.gz BBXWUMNZXXCBKR-UHFFFAOYSA-N 1 0 272.352 1.376 40 0 CDABRO COc1c(CN2CCC([NH+]3CCCC3)CC2)c(C)nn1C ZINC000019656095 356494287 /nfs/dbraw/zinc/49/42/87/356494287.db2.gz QOPKEJPGNBIYAP-UHFFFAOYSA-N 1 0 292.427 1.797 40 0 CDABRO Cc1noc(CCC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000019719217 356496857 /nfs/dbraw/zinc/49/68/57/356496857.db2.gz XYCLPIJVSHLOCV-CYBMUJFWSA-N 1 0 292.383 1.397 40 0 CDABRO CC(C)N(C[C@@H]1CC[N@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079408080 356992182 /nfs/dbraw/zinc/99/21/82/356992182.db2.gz LMZSTACSOOEMGX-CYBMUJFWSA-N 1 0 286.416 1.946 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000079409561 356992587 /nfs/dbraw/zinc/99/25/87/356992587.db2.gz AUIUJHARDQIIQP-JTQLQIEISA-N 1 0 285.388 1.192 40 0 CDABRO CC(C)N(Cc1nccc2ccccc21)C(=O)C[NH3+] ZINC000079422189 356996293 /nfs/dbraw/zinc/99/62/93/356996293.db2.gz HKZHDORBJCKAGM-UHFFFAOYSA-N 1 0 257.337 1.931 40 0 CDABRO Cc1ccc(OCC(=O)NC2CC[NH+](C)CC2)c(C)c1 ZINC000047829236 357165681 /nfs/dbraw/zinc/16/56/81/357165681.db2.gz NJPXQJVVWZTVAT-UHFFFAOYSA-N 1 0 276.380 1.893 40 0 CDABRO CN(Cc1ccnc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000057605178 357362526 /nfs/dbraw/zinc/36/25/26/357362526.db2.gz SJNRVEPWVYTCLK-ZDUSSCGKSA-N 1 0 290.388 1.854 40 0 CDABRO O=C(C1CCC1)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161634 358711097 /nfs/dbraw/zinc/71/10/97/358711097.db2.gz PZSNYZPRMFFVEL-GASCZTMLSA-N 1 0 285.391 1.772 40 0 CDABRO CCC(CC)C[NH2+]C[C@@H]1COCc2c(C)nnn2C1 ZINC000096199374 358717554 /nfs/dbraw/zinc/71/75/54/358717554.db2.gz MOELXRIUIJCRQO-ZDUSSCGKSA-N 1 0 266.389 1.759 40 0 CDABRO C[C@H]1N(C)C(=O)COC12CC[NH+](Cc1cccs1)CC2 ZINC000096201498 358718328 /nfs/dbraw/zinc/71/83/28/358718328.db2.gz KTPJYPUMOUGRAC-GFCCVEGCSA-N 1 0 294.420 1.960 40 0 CDABRO CN(C)[C@@H]1CC[N@H+](CC2CC2)[C@H]1Cc1cnn(C)c1 ZINC000096200925 358718364 /nfs/dbraw/zinc/71/83/64/358718364.db2.gz LHRMWLQJURQFGU-CABCVRRESA-N 1 0 262.401 1.377 40 0 CDABRO C[N@@H+]1CC[C@H]2C(=O)N(c3ccccc3)CCO[C@H]2C1 ZINC000096207098 358720184 /nfs/dbraw/zinc/72/01/84/358720184.db2.gz LZQOMTXQWZVNJM-KGLIPLIRSA-N 1 0 260.337 1.370 40 0 CDABRO CO[C@@H]1CCN(Cc2nccs2)[C@H]2CCO[C@@H]21 ZINC000096214982 358721527 /nfs/dbraw/zinc/72/15/27/358721527.db2.gz KXWKCRWMZADKDO-UMNHJUIQSA-N 1 0 254.355 1.521 40 0 CDABRO O=C1N(c2ccccc2)CC[C@@]12CCC[N@@H+](CCO)C2 ZINC000096224745 358723281 /nfs/dbraw/zinc/72/32/81/358723281.db2.gz ZFADRWLXZFLMRH-MRXNPFEDSA-N 1 0 274.364 1.498 40 0 CDABRO OCC[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC000096239818 358724878 /nfs/dbraw/zinc/72/48/78/358724878.db2.gz YEVCYWIWILAQDQ-ZDUSSCGKSA-N 1 0 298.337 1.006 40 0 CDABRO COCC[N@@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)C[C@H]2C1 ZINC000096246096 358725357 /nfs/dbraw/zinc/72/53/57/358725357.db2.gz VYEJUDTYNUWZEU-JKSUJKDBSA-N 1 0 294.439 1.993 40 0 CDABRO O=C(NCC[NH+]1CCCC1)c1cc(Br)ccn1 ZINC000098175361 358816024 /nfs/dbraw/zinc/81/60/24/358816024.db2.gz DDJVOUZCNAXOGO-UHFFFAOYSA-N 1 0 298.184 1.670 40 0 CDABRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]12 ZINC000225581702 366501289 /nfs/dbraw/zinc/50/12/89/366501289.db2.gz MGNHTLZJKIBVTL-KGYLQXTDSA-N 1 0 266.366 1.044 40 0 CDABRO CC[NH+](CC)CCCNc1nc2ccccc2[n+]([O-])n1 ZINC000104281446 358954682 /nfs/dbraw/zinc/95/46/82/358954682.db2.gz JAAYGBVMCUQJLB-UHFFFAOYSA-N 1 0 276.364 1.621 40 0 CDABRO COCC[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107712081 359027147 /nfs/dbraw/zinc/02/71/47/359027147.db2.gz QASASMSFTLZCOM-HOTGVXAUSA-N 1 0 283.412 1.931 40 0 CDABRO COC(=O)CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022538808 359078927 /nfs/dbraw/zinc/07/89/27/359078927.db2.gz JHJYGKRGKQFETL-UHFFFAOYSA-N 1 0 280.343 1.901 40 0 CDABRO CC[NH+]1CCN(c2nc(-c3ccco3)cc(=O)[nH]2)CC1 ZINC000014162238 366535573 /nfs/dbraw/zinc/53/55/73/366535573.db2.gz CTIKUKGTMHAAJY-UHFFFAOYSA-N 1 0 274.324 1.172 40 0 CDABRO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c(C)o1 ZINC000225485899 189754547 /nfs/dbraw/zinc/75/45/47/189754547.db2.gz DRYAMBRBECYVBI-LBPRGKRZSA-N 1 0 286.397 1.564 40 0 CDABRO CCN(C(=O)OC(C)(C)C)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079409195 284193286 /nfs/dbraw/zinc/19/32/86/284193286.db2.gz ITJISYGAMQNLNP-UHFFFAOYSA-N 1 0 299.415 1.630 40 0 CDABRO CCN(C(C)=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079417981 284263134 /nfs/dbraw/zinc/26/31/34/284263134.db2.gz SYJXTMADJWQXPQ-MJBXVCDLSA-N 1 0 283.416 1.266 40 0 CDABRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000225513378 374629250 /nfs/dbraw/zinc/62/92/50/374629250.db2.gz JLLDCPOUFIYUEK-KFWWJZLASA-N 1 0 297.443 1.663 40 0 CDABRO FC(F)(F)Cn1cc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000256050505 190002963 /nfs/dbraw/zinc/00/29/63/190002963.db2.gz FGULODHIHFMCNC-JTQLQIEISA-N 1 0 263.263 1.714 40 0 CDABRO Cc1c(C[NH2+]Cc2cnn(CC(F)F)c2)cnn1C ZINC000256052061 190003743 /nfs/dbraw/zinc/00/37/43/190003743.db2.gz LTCMEWPUGIZVBR-UHFFFAOYSA-N 1 0 269.299 1.480 40 0 CDABRO Cc1ncc(-c2cc(C)nc([C@H]3CCC[NH2+]3)n2)n1C ZINC000257201089 190010584 /nfs/dbraw/zinc/01/05/84/190010584.db2.gz AGFWGGFGOJVQHH-LLVKDONJSA-N 1 0 257.341 1.918 40 0 CDABRO CO[C@@H]1CCCOC12CC[NH+](Cc1ccn(C)n1)CC2 ZINC000257219344 190013786 /nfs/dbraw/zinc/01/37/86/190013786.db2.gz DGLVGFOJNSDCMG-CQSZACIVSA-N 1 0 279.384 1.580 40 0 CDABRO c1cc([C@@H]2CCC[NH2+]C2)nc(Nc2cncnc2)n1 ZINC000257230569 190015854 /nfs/dbraw/zinc/01/58/54/190015854.db2.gz GCWUJHPQRNALPB-SNVBAGLBSA-N 1 0 256.313 1.477 40 0 CDABRO Cn1nccc1C[N@@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257308559 190031561 /nfs/dbraw/zinc/03/15/61/190031561.db2.gz TXEUOXJRQPVNEE-UHFFFAOYSA-N 1 0 298.394 1.677 40 0 CDABRO CC1CCN(C(=O)c2cnc([C@H]3CCC[NH2+]3)cn2)CC1 ZINC000257311326 190031740 /nfs/dbraw/zinc/03/17/40/190031740.db2.gz UIYRXYRBBWYJRQ-GFCCVEGCSA-N 1 0 274.368 1.773 40 0 CDABRO OC1(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)CCOCC1 ZINC000257299188 190029771 /nfs/dbraw/zinc/02/97/71/190029771.db2.gz RPBIVKGVWJRWLB-CYBMUJFWSA-N 1 0 277.368 1.198 40 0 CDABRO c1cc(Nc2cnccn2)nc([C@@H]2C[NH2+]CCO2)c1 ZINC000257298636 190029797 /nfs/dbraw/zinc/02/97/97/190029797.db2.gz RMQJFGQJQMDWMX-NSHDSACASA-N 1 0 257.297 1.276 40 0 CDABRO COc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c(F)c1 ZINC000257327107 190034990 /nfs/dbraw/zinc/03/49/90/190034990.db2.gz WZYWBDNVYNGFCY-HOTGVXAUSA-N 1 0 295.354 1.950 40 0 CDABRO Cc1cncc([C@H]2CCC[N@H+](CC3(O)CCOCC3)C2)n1 ZINC000257335523 190036650 /nfs/dbraw/zinc/03/66/50/190036650.db2.gz YKNUTEVTKYJDTK-AWEZNQCLSA-N 1 0 291.395 1.506 40 0 CDABRO CC(C)(C)C[NH2+]C1(Cc2cc(C(C)(C)O)on2)COC1 ZINC000067897929 377287196 /nfs/dbraw/zinc/28/71/96/377287196.db2.gz JFMXHXHGJNSYRZ-UHFFFAOYSA-N 1 0 282.384 1.849 40 0 biogenic,in-vitro CDABRO CCN(C[C@H]1CCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408423 285083570 /nfs/dbraw/zinc/08/35/70/285083570.db2.gz HROXEUBMOMASTI-GFCCVEGCSA-N 1 0 271.405 1.667 40 0 CDABRO CC(=O)N1CCN(c2cc(C)c([C@@H](C)[NH3+])cn2)CC1 ZINC000072223737 390624026 /nfs/dbraw/zinc/62/40/26/390624026.db2.gz MKPYWRRWBWZKOC-LLVKDONJSA-N 1 0 262.357 1.078 40 0 CDABRO O=C(Nc1ccccc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000072208483 390616955 /nfs/dbraw/zinc/61/69/55/390616955.db2.gz YPRKVNQWPOVYQV-NSHDSACASA-N 1 0 257.297 1.065 40 0 CDABRO COC[C@@H]1C[N@H+](CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059822 390912310 /nfs/dbraw/zinc/91/23/10/390912310.db2.gz CYGQKBPYFZPKBT-AWEZNQCLSA-N 1 0 279.384 1.392 40 0 CDABRO CC(C)N1CCO[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC000096054275 390912362 /nfs/dbraw/zinc/91/23/62/390912362.db2.gz LAXPCJKRWZXNDS-KGLIPLIRSA-N 1 0 250.342 1.573 40 0 CDABRO C[NH+](C)[C@@H]1COC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096158618 390913301 /nfs/dbraw/zinc/91/33/01/390913301.db2.gz ACCVJUUYORMHMH-LBPRGKRZSA-N 1 0 280.347 1.305 40 0 CDABRO Cc1ccc(C(=O)N2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC000096157233 390913346 /nfs/dbraw/zinc/91/33/46/390913346.db2.gz GMMNADUOYCQLGZ-UHFFFAOYSA-N 1 0 274.364 1.590 40 0 CDABRO CC(C)(C)[NH2+][C@@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096074133 398069579 /nfs/dbraw/zinc/06/95/79/398069579.db2.gz CLVJOTSIQINBGB-ZDUSSCGKSA-N 1 0 290.411 1.993 40 0 CDABRO CCOC(=O)[C@H]1C(C)[C@H](C(=O)OCC)[C@H](C)[NH2+][C@@H]1C ZINC000004404176 285930689 /nfs/dbraw/zinc/93/06/89/285930689.db2.gz LORBKPOPJYPMLM-YAXHFPQCSA-N 1 0 271.357 1.361 40 0 CDABRO Cc1ccc(NC[C@@H](O)C[NH3+])c(Br)c1 ZINC000005003986 170053696 /nfs/dbraw/zinc/05/36/96/170053696.db2.gz AOFSWDJNINCPJA-QMMMGPOBSA-N 1 0 259.147 1.489 40 0 CDABRO C[NH+](C)CCNC(=S)Nc1ccc(F)c(F)c1 ZINC000007571432 170291026 /nfs/dbraw/zinc/29/10/26/170291026.db2.gz PDFSGKDTBGLXCS-UHFFFAOYSA-N 1 0 259.325 1.813 40 0 CDABRO Cc1nc([C@H]2CC[N@H+](Cc3ccncc3)C2)cc(=O)[nH]1 ZINC000019285282 170772927 /nfs/dbraw/zinc/77/29/27/170772927.db2.gz PHOVIDZIIITTCY-ZDUSSCGKSA-N 1 0 270.336 1.463 40 0 CDABRO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000020269851 171125807 /nfs/dbraw/zinc/12/58/07/171125807.db2.gz NHAHPKYHURIBTP-GFCCVEGCSA-N 1 0 276.336 1.801 40 0 CDABRO CCn1nccc1C[NH2+]Cc1ccc(O)c(OC)c1 ZINC000020352620 171156764 /nfs/dbraw/zinc/15/67/64/171156764.db2.gz YZDCRSFBPPRHRF-UHFFFAOYSA-N 1 0 261.325 1.907 40 0 CDABRO CCOc1cc(CNCC[NH2+]C[C@H](C)O)ccc1OC ZINC000022076060 171352233 /nfs/dbraw/zinc/35/22/33/171352233.db2.gz PGJFZKMAWTXCHS-LBPRGKRZSA-N 1 0 282.384 1.154 40 0 CDABRO COc1cccc([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000022163620 171364890 /nfs/dbraw/zinc/36/48/90/171364890.db2.gz NIWVOHGOFAIGBA-SLEUVZQESA-N 1 0 264.369 1.804 40 0 CDABRO Cc1nc2ccccc2n1CC1CC[NH+](CC(N)=O)CC1 ZINC000038535736 174144676 /nfs/dbraw/zinc/14/46/76/174144676.db2.gz ZJHUYOCEALPWFE-UHFFFAOYSA-N 1 0 286.379 1.542 40 0 CDABRO Cc1ccc([C@@]2(O)CC[N@@H+](Cc3cnn(C)c3)C2)cc1 ZINC000072367986 176382389 /nfs/dbraw/zinc/38/23/89/176382389.db2.gz ODOKWTJOKSCPHS-MRXNPFEDSA-N 1 0 271.364 1.822 40 0 CDABRO Cc1cc(Nc2ncccn2)nc([C@H]2CC[N@@H+](C)C2)n1 ZINC000072382346 176388255 /nfs/dbraw/zinc/38/82/55/176388255.db2.gz CYAXKUDIPZLWFH-NSHDSACASA-N 1 0 270.340 1.738 40 0 CDABRO Cc1nc(C(=O)N2CCCC2)cc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072382864 176388380 /nfs/dbraw/zinc/38/83/80/176388380.db2.gz NESNLYDACRCPIG-CYBMUJFWSA-N 1 0 288.395 1.830 40 0 CDABRO Cc1ccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)s1 ZINC000072397661 176395225 /nfs/dbraw/zinc/39/52/25/176395225.db2.gz MUPLHMGBHUJIAM-RAIGVLPGSA-N 1 0 266.410 1.696 40 0 CDABRO C[N@@H+]1CCC[C@](O)(CN2CCN(c3ccccc3)CC2)C1 ZINC000046087413 423940909 /nfs/dbraw/zinc/94/09/09/423940909.db2.gz VWZKXMNKLXPKSJ-QGZVFWFLSA-N 1 0 289.423 1.265 40 0 CDABRO C[NH+]1CCC2(CC1)c1cc(C(=O)NC3CC3)ccc1NC2=O ZINC000105050690 273872196 /nfs/dbraw/zinc/87/21/96/273872196.db2.gz WSWYTZVBDYDOOD-UHFFFAOYSA-N 1 0 299.374 1.494 40 0 CDABRO CC(=O)N1CCO[C@H]2CC[N@H+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC000108526920 277000684 /nfs/dbraw/zinc/00/06/84/277000684.db2.gz KCPIWTIIQULIOR-JYJNAYRXSA-N 1 0 278.396 1.664 40 0 CDABRO C[C@@H]1[C@H]([NH3+])C(=O)N1c1cccc(Br)c1 ZINC000225776670 279113702 /nfs/dbraw/zinc/11/37/02/279113702.db2.gz MTVHDCFSVLPWIQ-MUWHJKNJSA-N 1 0 255.115 1.512 40 0 CDABRO CCCn1c2ccccc2[nH]c1=NC(=O)[C@H]1CCC[NH2+]1 ZINC000073342145 521637427 /nfs/dbraw/zinc/63/74/27/521637427.db2.gz APIFVYXCUQEGMN-GFCCVEGCSA-N 1 0 272.352 1.559 40 0 CDABRO COc1ccc(C(=O)NCCC[NH+](C)C)cc1C ZINC000074946511 567903760 /nfs/dbraw/zinc/90/37/60/567903760.db2.gz ZGXLHSXGPVOHMG-UHFFFAOYSA-N 1 0 250.342 1.685 40 0 CDABRO COc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1OC ZINC000074713376 567903847 /nfs/dbraw/zinc/90/38/47/567903847.db2.gz PRLDYTCYLWCPES-UHFFFAOYSA-N 1 0 278.352 1.984 40 0 CDABRO CC[C@H]([NH2+]C)C(=O)N1Cc2ccccc2N2CCC[C@H]2C1 ZINC001548449089 969505380 /nfs/dbraw/zinc/50/53/80/969505380.db2.gz SIEVXIXWOJALAW-GJZGRUSLSA-N 1 0 287.407 1.996 40 0 CDABRO O=C(NC[C@@]1(F)CC[NH2+]C1)OCc1ccccc1 ZINC000096024127 185066537 /nfs/dbraw/zinc/06/65/37/185066537.db2.gz IVWWUUKEBHFDIJ-CYBMUJFWSA-N 1 0 252.289 1.614 40 0 CDABRO c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)cn1 ZINC000096052081 185074935 /nfs/dbraw/zinc/07/49/35/185074935.db2.gz PKAXKJCIPPEIKT-JKSUJKDBSA-N 1 0 291.395 1.401 40 0 CDABRO c1cnn(Cc2cn3c(n2)C[N@H+](CC2CC2)CC3)c1 ZINC000096059436 185080275 /nfs/dbraw/zinc/08/02/75/185080275.db2.gz URDJESRBHMWOPP-UHFFFAOYSA-N 1 0 257.341 1.354 40 0 CDABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2Cc2ccoc2)cn1 ZINC000096061711 185082700 /nfs/dbraw/zinc/08/27/00/185082700.db2.gz VPYLTGVQKGQYLK-CVEARBPZSA-N 1 0 288.395 1.760 40 0 CDABRO CC(C)[N@@H+]1CCCn2nnc(CN3CCCC3)c2C1 ZINC000096084690 185091884 /nfs/dbraw/zinc/09/18/84/185091884.db2.gz TWPQZTIXRQXRHE-UHFFFAOYSA-N 1 0 263.389 1.488 40 0 CDABRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccsc1)C2 ZINC000096108620 185099797 /nfs/dbraw/zinc/09/97/97/185099797.db2.gz KPAQDWJNNOCXPD-CHWSQXEVSA-N 1 0 253.367 1.843 40 0 CDABRO CCC(CC)C(=O)N1CCN2[C@@H](C1)C[N@H+](C)CC2(C)C ZINC000253406565 282148196 /nfs/dbraw/zinc/14/81/96/282148196.db2.gz USVVSJRMWFCCBF-CQSZACIVSA-N 1 0 281.444 1.659 40 0 biogenic,in-vitro CDABRO OC[C@@H]1CCn2cncc2CN1Cc1cccnc1 ZINC000585097413 342211488 /nfs/dbraw/zinc/21/14/88/342211488.db2.gz LKPUOOZGLQOLMA-ZDUSSCGKSA-N 1 0 258.325 1.045 40 0 CDABRO CN(C)C(=O)COCC[C@@H]1Cn2cccc2C[N@H+](C)C1 ZINC000585095312 342211400 /nfs/dbraw/zinc/21/14/00/342211400.db2.gz OVDCUEFRTLAGMW-ZDUSSCGKSA-N 1 0 279.384 1.045 40 0 CDABRO O[C@H]1CC[N@@H+](C2CCC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585282026 342258469 /nfs/dbraw/zinc/25/84/69/342258469.db2.gz GAEJATLMAWPEEP-HOTGVXAUSA-N 1 0 295.354 1.555 40 0 CDABRO CNC(=O)[C@]1(C)CCC[N@H+](CC2(O)CCCCCC2)C1 ZINC000585282298 342258472 /nfs/dbraw/zinc/25/84/72/342258472.db2.gz DBXIRKXUJQJPOC-OAHLLOKOSA-N 1 0 282.428 1.920 40 0 CDABRO CCC[NH2+]CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000001671710 355945884 /nfs/dbraw/zinc/94/58/84/355945884.db2.gz QUMKUPNLCZQNIU-UHFFFAOYSA-N 1 0 250.298 1.411 40 0 CDABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O)[C@H]2COC(=O)c1ccccc1 ZINC000001687012 355948035 /nfs/dbraw/zinc/94/80/35/355948035.db2.gz TXIYBPZUJGKOLX-BYNSBNAKSA-N 1 0 275.348 1.687 40 0 CDABRO CC[NH+](CC)CCNc1n[nH]c(=O)c2ccccc21 ZINC000001866298 355953568 /nfs/dbraw/zinc/95/35/68/355953568.db2.gz WOWSRNNXNJLTEJ-UHFFFAOYSA-N 1 0 260.341 1.677 40 0 CDABRO COc1cc2c(cc1OC)[C@H](C)[N@H+](CCO)CC2 ZINC000014983353 356402568 /nfs/dbraw/zinc/40/25/68/356402568.db2.gz XHYSNVFKHDADAF-JTQLQIEISA-N 1 0 251.326 1.615 40 0 CDABRO Cc1nccn1CC1(O)CC[NH+](Cc2cccnc2)CC1 ZINC000019288012 356480099 /nfs/dbraw/zinc/48/00/99/356480099.db2.gz YYKHMJAYXXYUGJ-UHFFFAOYSA-N 1 0 286.379 1.614 40 0 CDABRO Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)n(C2CCCC2)n1 ZINC000019746026 356498994 /nfs/dbraw/zinc/49/89/94/356498994.db2.gz XFAXQIKWHDBNKV-LLVKDONJSA-N 1 0 262.357 1.855 40 0 CDABRO c1nc(N2CCOCC2)ncc1C[NH2+]C1CCCCC1 ZINC000062717744 366350609 /nfs/dbraw/zinc/35/06/09/366350609.db2.gz UEMFDTPIXBFDTE-UHFFFAOYSA-N 1 0 276.384 1.736 40 0 CDABRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000036299971 356869597 /nfs/dbraw/zinc/86/95/97/356869597.db2.gz HKBNIJIOUIRYAP-UHFFFAOYSA-N 1 0 260.384 1.121 40 0 CDABRO C[N@H+](CCO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391640 356987976 /nfs/dbraw/zinc/98/79/76/356987976.db2.gz FDZGWLMNRPIKMQ-AWEZNQCLSA-N 1 0 278.352 1.322 40 0 CDABRO CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C[NH3+] ZINC000079390828 356988517 /nfs/dbraw/zinc/98/85/17/356988517.db2.gz TVDCOQJLCSEKIC-UHFFFAOYSA-N 1 0 285.388 1.051 40 0 CDABRO CCN(C[C@H]1CC[N@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407990 356990672 /nfs/dbraw/zinc/99/06/72/356990672.db2.gz DZHDEVWNQKHCEV-LBPRGKRZSA-N 1 0 272.389 1.558 40 0 CDABRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC000079407847 356991003 /nfs/dbraw/zinc/99/10/03/356991003.db2.gz BMVGUWHUYRVAJF-LLVKDONJSA-N 1 0 258.362 1.215 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000079409980 356992158 /nfs/dbraw/zinc/99/21/58/356992158.db2.gz KBFUYBSJGVTIKU-NEPJUHHUSA-N 1 0 299.415 1.343 40 0 CDABRO O=c1ccc(-c2cccs2)nn1C[C@@H]1CCC[NH2+]1 ZINC000013566189 357176752 /nfs/dbraw/zinc/17/67/52/357176752.db2.gz SSZIEFKWYROBSO-JTQLQIEISA-N 1 0 261.350 1.724 40 0 CDABRO CCOC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000073153773 357868750 /nfs/dbraw/zinc/86/87/50/357868750.db2.gz ARJZLFXHTGUVEC-CYBMUJFWSA-N 1 0 282.384 1.130 40 0 CDABRO COc1ccc(COC[C@H](O)C[NH3+])cc1Br ZINC000095096277 366435033 /nfs/dbraw/zinc/43/50/33/366435033.db2.gz KGVQEFBPDOYVQJ-SECBINFHSA-N 1 0 290.157 1.294 40 0 CDABRO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccncc2)nc1 ZINC000096055853 358707195 /nfs/dbraw/zinc/70/71/95/358707195.db2.gz UYAAVQCBKHCCPN-CABCVRRESA-N 1 0 281.363 1.725 40 0 CDABRO Cn1cc(C[N@@H+]2CC[C@H](O)[C@@H]2Cc2ccccc2)cn1 ZINC000096200339 358718480 /nfs/dbraw/zinc/71/84/80/358718480.db2.gz BVOSDTKYWWFVBU-HOTGVXAUSA-N 1 0 271.364 1.598 40 0 CDABRO CN(C)c1ncnc2c1CC[N@H+](Cc1ccccn1)CC2 ZINC000096255391 358728842 /nfs/dbraw/zinc/72/88/42/358728842.db2.gz QHLJMPWDXFGPQK-UHFFFAOYSA-N 1 0 283.379 1.538 40 0 CDABRO CN(C)C(=O)CN1CC[C@@H]([NH+](C)C)[C@@H]1Cc1ccccc1 ZINC000096261358 358729774 /nfs/dbraw/zinc/72/97/74/358729774.db2.gz WGMBYJXYJFCUST-CVEARBPZSA-N 1 0 289.423 1.322 40 0 CDABRO COCC[NH2+]Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013998484 358827196 /nfs/dbraw/zinc/82/71/96/358827196.db2.gz SIRPVRQLHZTMHU-UHFFFAOYSA-N 1 0 262.309 1.273 40 0 CDABRO Cc1cc(C(=O)NCC[NH+]2CCCCC2)c(C)n1C ZINC000298075395 200328202 /nfs/dbraw/zinc/32/82/02/200328202.db2.gz AYVAZHMHHTYVIN-UHFFFAOYSA-N 1 0 263.385 1.858 40 0 CDABRO CS[C@H]1CCC[C@@H]1[N@H+](C)CCC(=O)N1CCOCC1 ZINC000076147032 367003022 /nfs/dbraw/zinc/00/30/22/367003022.db2.gz OOCBMNKWPYPHHR-STQMWFEESA-N 1 0 286.441 1.451 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000339470977 371921026 /nfs/dbraw/zinc/92/10/26/371921026.db2.gz KQWCSSHIRQMCBG-BFHYXJOUSA-N 1 0 295.427 1.282 40 0 CDABRO CCc1ccc(OC[C@H](O)CN2CCC[NH2+]CC2)cc1 ZINC000064875929 374241490 /nfs/dbraw/zinc/24/14/90/374241490.db2.gz GHEWOHFCZXBHLP-OAHLLOKOSA-N 1 0 278.396 1.284 40 0 CDABRO CCOc1cc(N2CCC[C@H](C[NH3+])C2)nc(SC)n1 ZINC000079439609 374405389 /nfs/dbraw/zinc/40/53/89/374405389.db2.gz XIYLHEVBXMRLET-SNVBAGLBSA-N 1 0 282.413 1.772 40 0 CDABRO CC[NH+](CC)CC[C@@H]1CN(C(=O)N(C)C)Cc2ccnn21 ZINC000306126596 374967649 /nfs/dbraw/zinc/96/76/49/374967649.db2.gz DZUSBRZUALSKJA-CQSZACIVSA-N 1 0 293.415 1.653 40 0 CDABRO C[C@H](NCCC[NH+](C)C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000230024282 375299875 /nfs/dbraw/zinc/29/98/75/375299875.db2.gz CXABUZLGGVHQRG-IHRRRGAJSA-N 1 0 269.433 1.706 40 0 CDABRO COCCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256051645 190003768 /nfs/dbraw/zinc/00/37/68/190003768.db2.gz JZYUQNFCVUAMOC-UHFFFAOYSA-N 1 0 251.252 1.572 40 0 CDABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@H]2N3c1ncnc2nc[nH]c21 ZINC000257209416 190012314 /nfs/dbraw/zinc/01/23/14/190012314.db2.gz BQHFXUXBMCXLLD-XSUJLISDSA-N 1 0 298.394 1.852 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2ccc(C(=O)N3CCOCC3)cn2)C1 ZINC000257239134 190017755 /nfs/dbraw/zinc/01/77/55/190017755.db2.gz HOBSIBXBSGWOSR-CQSZACIVSA-N 1 0 289.379 1.363 40 0 CDABRO Cc1nc(CC2CC[NH2+]CC2)cc(N2CCCC2)n1 ZINC000257258941 190021792 /nfs/dbraw/zinc/02/17/92/190021792.db2.gz KWEMUFMEZVQTHV-UHFFFAOYSA-N 1 0 260.385 1.927 40 0 CDABRO C[C@H]1CN(c2nccnc2CC2CC[NH2+]CC2)C(=O)O1 ZINC000257256061 190021816 /nfs/dbraw/zinc/02/18/16/190021816.db2.gz KJYCIVZAWIXGLG-JTQLQIEISA-N 1 0 276.340 1.364 40 0 CDABRO Cc1nc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)co1 ZINC000257308656 190031449 /nfs/dbraw/zinc/03/14/49/190031449.db2.gz TXOCOFKNIAGYJA-MRVWCRGKSA-N 1 0 293.367 1.091 40 0 CDABRO CNc1ncc(C[NH2+]CCc2ccccc2OC)cn1 ZINC000062717480 256721688 /nfs/dbraw/zinc/72/16/88/256721688.db2.gz XJYLBBYQKCCALB-UHFFFAOYSA-N 1 0 272.352 1.859 40 0 CDABRO COc1ccc(Br)c(COC[C@H](O)C[NH3+])c1 ZINC000095096217 184943813 /nfs/dbraw/zinc/94/38/13/184943813.db2.gz JCDPDDIUYOSZIR-SECBINFHSA-N 1 0 290.157 1.294 40 0 CDABRO CCn1cc2c(n1)nc(N1CC[NH2+]CC1)cc2C(F)(F)F ZINC000012398889 390247652 /nfs/dbraw/zinc/24/76/52/390247652.db2.gz TYTXXYZOWCLJMB-UHFFFAOYSA-N 1 0 299.300 1.880 40 0 CDABRO Cc1ccc([C@@]2(C)NC(=[NH2+])NC(=N)N2c2ccccc2)o1 ZINC000054363796 390485516 /nfs/dbraw/zinc/48/55/16/390485516.db2.gz URHNXRBCBRBQQS-HNNXBMFYSA-N 1 0 283.335 1.910 40 0 CDABRO [NH3+]CCn1ncc2c1ncnc2NCc1ccccc1 ZINC000096524255 390538571 /nfs/dbraw/zinc/53/85/71/390538571.db2.gz IXFOGSMVCBZLKV-UHFFFAOYSA-N 1 0 268.324 1.397 40 0 CDABRO CC[C@@H](O)c1cnc(N2CC[NH+](CC)CC2)c(C)c1 ZINC000072222588 390622954 /nfs/dbraw/zinc/62/29/54/390622954.db2.gz GKBIFZMIRXXPLU-CQSZACIVSA-N 1 0 263.385 1.975 40 0 CDABRO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(O)C[NH3+] ZINC000072208011 390616061 /nfs/dbraw/zinc/61/60/61/390616061.db2.gz XYWAIRDBVKBBNT-GXFFZTMASA-N 1 0 258.362 1.486 40 0 CDABRO COCC[N@@H+]1CC[C@@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158343 390913308 /nfs/dbraw/zinc/91/33/08/390913308.db2.gz NGHBZECWQYBRRX-OAHLLOKOSA-N 1 0 294.374 1.554 40 0 CDABRO Cc1ccc(C(=O)N2CCO[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000096157243 390913362 /nfs/dbraw/zinc/91/33/62/390913362.db2.gz BYJLEBHFGNDQHH-MRXNPFEDSA-N 1 0 274.364 1.590 40 0 CDABRO CC[NH+](CC)CCCN[C@H](C)C(=O)Nc1cc(C)on1 ZINC000026439668 391105837 /nfs/dbraw/zinc/10/58/37/391105837.db2.gz PAPCLXHWLGLUBH-GFCCVEGCSA-N 1 0 282.388 1.632 40 0 CDABRO C[C@H]1CCC[C@H](C)N1C(=O)CNCCC[NH+](C)C ZINC000026439537 391106181 /nfs/dbraw/zinc/10/61/81/391106181.db2.gz UHADFEGDTOFTLP-STQMWFEESA-N 1 0 255.406 1.317 40 0 CDABRO FC1(F)CC[NH2+]C[C@]12CCN(c1cnccn1)C2 ZINC000096078104 391627207 /nfs/dbraw/zinc/62/72/07/391627207.db2.gz PRCRQWDFMYOJAK-NSHDSACASA-N 1 0 254.284 1.302 40 0 CDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000242688239 391589485 /nfs/dbraw/zinc/58/94/85/391589485.db2.gz VLUQFGBQDHELRD-RYUDHWBXSA-N 1 0 279.336 1.522 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000242547839 391942956 /nfs/dbraw/zinc/94/29/56/391942956.db2.gz KVMCSSHMWXSLEN-MXWKQRLJSA-N 1 0 259.758 1.568 40 0 CDABRO C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306137020 392105646 /nfs/dbraw/zinc/10/56/46/392105646.db2.gz QJDIPSTZVXQNOK-RYUDHWBXSA-N 1 0 297.362 1.264 40 0 CDABRO CCc1nc2c(c(=O)n1C)CC[N@H+](CC(C)C)CC2 ZINC000306128211 392106028 /nfs/dbraw/zinc/10/60/28/392106028.db2.gz GUJYGBQMBPDNRA-UHFFFAOYSA-N 1 0 263.385 1.399 40 0 CDABRO C[C@@H]([NH2+]CCN(C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000022586207 287026529 /nfs/dbraw/zinc/02/65/29/287026529.db2.gz YKTYQTJPTLNLGO-JHJVBQTASA-N 1 0 255.406 1.031 40 0 CDABRO C[NH+](C)CCCNC(=O)c1ccc(N2CCCC2)cc1 ZINC000007383531 170281914 /nfs/dbraw/zinc/28/19/14/170281914.db2.gz QYXRNTMDBRWJLZ-UHFFFAOYSA-N 1 0 275.396 1.968 40 0 CDABRO CCn1nc(C(F)(F)F)cc1CN1CCC([NH3+])CC1 ZINC000012396881 170484686 /nfs/dbraw/zinc/48/46/86/170484686.db2.gz HMVVRKDNHMOPDD-UHFFFAOYSA-N 1 0 276.306 1.845 40 0 CDABRO C[C@@H](O)C[NH2+]CCNCc1c(F)cccc1Cl ZINC000022075251 171351900 /nfs/dbraw/zinc/35/19/00/171351900.db2.gz RYPMVLLDSFZRQI-SECBINFHSA-N 1 0 260.740 1.539 40 0 CDABRO COc1nn(C)cc1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000038573058 174147434 /nfs/dbraw/zinc/14/74/34/174147434.db2.gz FIPBFFGSVGNPMA-UHFFFAOYSA-N 1 0 294.399 1.279 40 0 CDABRO COC[C@H]1CN(C(=O)c2ccc(Cl)cc2)CC[N@H+](C)C1 ZINC000072354438 176374725 /nfs/dbraw/zinc/37/47/25/176374725.db2.gz CGZMPQORSMZKFE-GFCCVEGCSA-N 1 0 296.798 1.990 40 0 CDABRO C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377384 176386216 /nfs/dbraw/zinc/38/62/16/176386216.db2.gz PWNDHQVBRGPTPN-LLVKDONJSA-N 1 0 256.313 1.777 40 0 CDABRO Cn1ccnc1CNc1cc([C@H]2CCC[NH2+]2)ccn1 ZINC000072386928 176392758 /nfs/dbraw/zinc/39/27/58/176392758.db2.gz CREXAACODJHIMS-GFCCVEGCSA-N 1 0 257.341 1.852 40 0 CDABRO CS(=O)(=O)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104116 177223914 /nfs/dbraw/zinc/22/39/14/177223914.db2.gz XUJHBGZMKCDOCZ-UHFFFAOYSA-N 1 0 288.438 1.477 40 0 CDABRO CC1CCN(S(=O)(=O)c2ccsc2C[NH3+])CC1 ZINC000015424081 278549768 /nfs/dbraw/zinc/54/97/68/278549768.db2.gz OFSBBBIAJPGHPY-UHFFFAOYSA-N 1 0 274.411 1.627 40 0 CDABRO O=c1cc(-c2ccccn2)nc(C2CC[NH2+]CC2)[nH]1 ZINC000019402570 275043430 /nfs/dbraw/zinc/04/34/30/275043430.db2.gz UOFBEFVGEOPYKN-UHFFFAOYSA-N 1 0 256.309 1.299 40 0 CDABRO CC1(c2cc[nH]n2)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000257319737 276173406 /nfs/dbraw/zinc/17/34/06/276173406.db2.gz VTWSXDNYOHXNIF-NSHDSACASA-N 1 0 262.357 1.042 40 0 CDABRO C[C@]12CCCN(C(=O)C[NH+]3CCCC3)[C@H]1CCCC(=O)N2 ZINC000257268768 300868025 /nfs/dbraw/zinc/86/80/25/300868025.db2.gz MNCNJFQMLUMVLK-BBRMVZONSA-N 1 0 293.411 1.132 40 0 CDABRO CC(C)(C)OC(=O)N1CC(C[NH3+])(C(F)(F)F)C1 ZINC000258012738 1159678716 /nfs/dbraw/zinc/67/87/16/1159678716.db2.gz QMSVJHWXROUCOO-UHFFFAOYSA-N 1 0 254.252 1.745 40 0 CDABRO CC(C)(CO)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000017112975 519280324 /nfs/dbraw/zinc/28/03/24/519280324.db2.gz YSUMQTFXIXWFCO-CQSZACIVSA-N 1 0 289.375 1.940 40 0 CDABRO COCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000198380743 522768655 /nfs/dbraw/zinc/76/86/55/522768655.db2.gz PUMKIKDJMGNDPY-UHFFFAOYSA-N 1 0 262.353 1.545 40 0 CDABRO COc1cc(OC)c([C@H]2C[C@@]2(C[NH3+])CO)c(OC)c1 ZINC000062713416 522834191 /nfs/dbraw/zinc/83/41/91/522834191.db2.gz VKJXCZRLYWBQEZ-QMTHXVAHSA-N 1 0 267.325 1.137 40 0 CDABRO CCc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2OC)oc1CC ZINC001548448228 969436682 /nfs/dbraw/zinc/43/66/82/969436682.db2.gz WJBZIYRSMSHIAB-ZWNOBZJWSA-N 1 0 266.341 1.121 40 0 CDABRO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C)s2)O1 ZINC000096057530 185077252 /nfs/dbraw/zinc/07/72/52/185077252.db2.gz PQDKMLJKDVGRQH-MGPQQGTHSA-N 1 0 294.420 1.924 40 0 CDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](CC3CC3)C[C@H]21)NCC1CC1 ZINC000096057180 185078045 /nfs/dbraw/zinc/07/80/45/185078045.db2.gz WNVINKVKKZCSGE-OAGGEKHMSA-N 1 0 292.423 1.507 40 0 CDABRO COCCn1cc2c(n1)[C@H](C[NH2+]Cc1ccco1)OCC2 ZINC000096059692 185081013 /nfs/dbraw/zinc/08/10/13/185081013.db2.gz BGOLHSDQCBKWRZ-AWEZNQCLSA-N 1 0 291.351 1.526 40 0 CDABRO C[C@H](O)C[NH+]1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC000096073042 185087780 /nfs/dbraw/zinc/08/77/80/185087780.db2.gz QYGUNUJKEQARNY-STQMWFEESA-N 1 0 279.384 1.139 40 0 CDABRO CC[C@H](C)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170336130 361867279 /nfs/dbraw/zinc/86/72/79/361867279.db2.gz POYNRNIHFMILKI-JTQLQIEISA-N 1 0 283.416 1.327 40 0 CDABRO CC(C)(C)OC(=O)N1CCC([C@@H]2COCC[NH2+]2)CC1 ZINC000096945325 185135339 /nfs/dbraw/zinc/13/53/39/185135339.db2.gz WQEJFFVFCYYKOX-LBPRGKRZSA-N 1 0 270.373 1.622 40 0 CDABRO C[NH+](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000685936389 539098925 /nfs/dbraw/zinc/09/89/25/539098925.db2.gz VISKNHQIOAJQFV-GWCFXTLKSA-N 1 0 258.362 1.308 40 0 CDABRO CO[C@@H]1C[N@H+](CCC(N)=O)CC[C@@H]1Cc1ccccc1 ZINC000585277072 342256453 /nfs/dbraw/zinc/25/64/53/342256453.db2.gz FSTYUDRIZJJSOA-HUUCEWRRSA-N 1 0 276.380 1.441 40 0 CDABRO C[N@H+](CC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1)C1CCCC1 ZINC000257275765 362582373 /nfs/dbraw/zinc/58/23/73/362582373.db2.gz NQUJRFYJZQVPOX-HOCLYGCPSA-N 1 0 296.411 1.003 40 0 CDABRO CC(C)(C)OC(=O)N1CCC2(C[NH2+]C[C@@H]2CO)CC1 ZINC000091303578 180130464 /nfs/dbraw/zinc/13/04/64/180130464.db2.gz UHJRPLXGZDOQMY-LLVKDONJSA-N 1 0 270.373 1.215 40 0 CDABRO CC(C)(O)C[N@@H+]1CCC[C@]2(C[C@@H](c3cncnc3)CO2)C1 ZINC000107787177 186190866 /nfs/dbraw/zinc/19/08/66/186190866.db2.gz BMOFOBUCYAPTBV-CJNGLKHVSA-N 1 0 291.395 1.586 40 0 CDABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCNC3=O)CC2)n1 ZINC000108531405 186221621 /nfs/dbraw/zinc/22/16/21/186221621.db2.gz JEUQMNCTLLRTCY-INIZCTEOSA-N 1 0 289.379 1.582 40 0 CDABRO O[C@@H](C[NH2+]C1CC1)c1cncc(Br)c1 ZINC000122889172 187057663 /nfs/dbraw/zinc/05/76/63/187057663.db2.gz JMNSFRSHNMNUFA-JTQLQIEISA-N 1 0 257.131 1.630 40 0 CDABRO O[C@H](C[NH2+]C1CC1)c1cncc(Br)c1 ZINC000122888953 187057948 /nfs/dbraw/zinc/05/79/48/187057948.db2.gz JMNSFRSHNMNUFA-SNVBAGLBSA-N 1 0 257.131 1.630 40 0 CDABRO NC(=O)[C@@H]([NH2+][C@H]1CCSC1)c1ccc(F)cc1 ZINC000134879518 356444299 /nfs/dbraw/zinc/44/42/99/356444299.db2.gz HJEZXGPFWAXEPI-QWRGUYRKSA-N 1 0 254.330 1.447 40 0 CDABRO CCCC(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019501627 356488178 /nfs/dbraw/zinc/48/81/78/356488178.db2.gz IMFAXAULTDGKPI-CYBMUJFWSA-N 1 0 274.368 1.586 40 0 CDABRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1nc(C)cc1C ZINC000019527280 356490212 /nfs/dbraw/zinc/49/02/12/356490212.db2.gz KTDKSIMZFIHISB-CQSZACIVSA-N 1 0 278.400 1.491 40 0 CDABRO CCCCCC[C@H](CN1CCOCC1)[NH+]1CCOCC1 ZINC000019204056 356476518 /nfs/dbraw/zinc/47/65/18/356476518.db2.gz RJCKYSSDDBLBMG-MRXNPFEDSA-N 1 0 284.444 1.990 40 0 CDABRO CN(CC[NH3+])C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079390943 356988300 /nfs/dbraw/zinc/98/83/00/356988300.db2.gz PVRVENGUPAYRLQ-HNNXBMFYSA-N 1 0 291.395 1.678 40 0 CDABRO CN(C[C@@H]1CCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408346 356991978 /nfs/dbraw/zinc/99/19/78/356991978.db2.gz AOUZPYZIJKOOKE-NSHDSACASA-N 1 0 257.378 1.276 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cnc(Cl)s1 ZINC000079422131 356996678 /nfs/dbraw/zinc/99/66/78/356996678.db2.gz UBJVIPNIWAUXSA-QMMMGPOBSA-N 1 0 261.778 1.738 40 0 CDABRO CN(CCC[NH+]1CCCC1)C(=O)NCc1cccnn1 ZINC000225584727 357288541 /nfs/dbraw/zinc/28/85/41/357288541.db2.gz BSOWSBDTJQISIZ-UHFFFAOYSA-N 1 0 277.372 1.104 40 0 CDABRO COCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000052568807 357275165 /nfs/dbraw/zinc/27/51/65/357275165.db2.gz PFLPYYALTGYPPB-UHFFFAOYSA-N 1 0 262.353 1.545 40 0 CDABRO CNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000072388587 357831751 /nfs/dbraw/zinc/83/17/51/357831751.db2.gz KGKAJONARRFWEI-LBPRGKRZSA-N 1 0 278.356 1.085 40 0 CDABRO COc1cccc(OC)c1C(=O)NC1CC[NH+](C)CC1 ZINC000074861051 357928871 /nfs/dbraw/zinc/92/88/71/357928871.db2.gz YBZWBVWKQSZGHK-UHFFFAOYSA-N 1 0 278.352 1.528 40 0 CDABRO Cc1noc(C)c1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC000096182362 358713181 /nfs/dbraw/zinc/71/31/81/358713181.db2.gz OUFDFPOJUQXTPH-OKILXGFUSA-N 1 0 299.378 1.650 40 0 CDABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CCO)C[C@@H]12 ZINC000096251882 358727478 /nfs/dbraw/zinc/72/74/78/358727478.db2.gz XMCNVKJEWLXUPV-IAGOWNOFSA-N 1 0 288.391 1.243 40 0 CDABRO CN(C)Cc1nnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000096259862 358729538 /nfs/dbraw/zinc/72/95/38/358729538.db2.gz OPXPQVHOMLOLBQ-UHFFFAOYSA-N 1 0 291.424 1.460 40 0 CDABRO O=C(Nc1ccccc1F)C1=NOC2(C1)CC[NH2+]CC2 ZINC000096268869 358731039 /nfs/dbraw/zinc/73/10/39/358731039.db2.gz KTKDWJIKEJBACA-UHFFFAOYSA-N 1 0 277.299 1.663 40 0 CDABRO CCOC(=O)[C@H]1C(C)=C(CN2CCCCC2)[NH2+][C@H]1C ZINC000101456172 358846462 /nfs/dbraw/zinc/84/64/62/358846462.db2.gz SXJBYKLPPOTSGS-JSGCOSHPSA-N 1 0 266.385 1.917 40 0 CDABRO C[NH+]1CCN(c2ccc(NC(=S)NC3CC3)cn2)CC1 ZINC000224031588 359482954 /nfs/dbraw/zinc/48/29/54/359482954.db2.gz QJFVIVNJURBNTG-UHFFFAOYSA-N 1 0 291.424 1.282 40 0 CDABRO CC[NH+]1CCN(c2ccc(-n3cnnc3)cc2)CC1 ZINC000057332399 360142809 /nfs/dbraw/zinc/14/28/09/360142809.db2.gz OQSSKTRNHPWDMS-UHFFFAOYSA-N 1 0 257.341 1.409 40 0 CDABRO CC[NH+]1CCN(c2ccc(NC(N)=S)cc2)CC1 ZINC000057332256 360143304 /nfs/dbraw/zinc/14/33/04/360143304.db2.gz VDKPFKBDZGJYTL-UHFFFAOYSA-N 1 0 264.398 1.484 40 0 CDABRO CN1C(=O)c2cccnc2O[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000514289718 360120102 /nfs/dbraw/zinc/12/01/02/360120102.db2.gz NTBVHYCTMLKBNF-OLZOCXBDSA-N 1 0 273.336 1.009 40 0 biogenic,in-vitro CDABRO COCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000064492512 360179851 /nfs/dbraw/zinc/17/98/51/360179851.db2.gz KAHZARLIQXHTCK-UHFFFAOYSA-N 1 0 268.401 1.794 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(F)cc1 ZINC000042273470 364550899 /nfs/dbraw/zinc/55/08/99/364550899.db2.gz BVNZFBNYQUCYCO-LBPRGKRZSA-N 1 0 270.373 1.865 40 0 CDABRO COc1c(C[NH2+]CCc2ccccn2)c(C)nn1C ZINC000134087378 369516534 /nfs/dbraw/zinc/51/65/34/369516534.db2.gz TYIZXHLZRMEJHN-UHFFFAOYSA-N 1 0 260.341 1.464 40 0 CDABRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cnn(C(F)F)c1 ZINC000638369085 369548099 /nfs/dbraw/zinc/54/80/99/369548099.db2.gz OQZQYJIGAYQHBZ-JTQLQIEISA-N 1 0 284.310 1.683 40 0 CDABRO Cc1cc(Cl)ccc1OC[C@H](O)C[NH2+]C(C)(C)CO ZINC000026781288 373918209 /nfs/dbraw/zinc/91/82/09/373918209.db2.gz VYKFBFNXEXRAIY-GFCCVEGCSA-N 1 0 287.787 1.749 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nnc(C)o3)C2)CC1 ZINC000049169271 373982108 /nfs/dbraw/zinc/98/21/08/373982108.db2.gz IEWOUWUMKMQQRV-LBPRGKRZSA-N 1 0 278.356 1.178 40 0 biogenic,in-vitro CDABRO C[NH2+]CC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000225474973 374482061 /nfs/dbraw/zinc/48/20/61/374482061.db2.gz DAYRIRXHSGGMRA-JTQLQIEISA-N 1 0 283.322 1.127 40 0 CDABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](C(C)C)C2 ZINC000225494914 374549520 /nfs/dbraw/zinc/54/95/20/374549520.db2.gz CFCVXLIHNHSCMH-AWEZNQCLSA-N 1 0 263.385 1.801 40 0 biogenic,in-vitro CDABRO C[NH+]1CCC(n2ncc3cnc(Cl)nc32)CC1 ZINC000095097374 374870213 /nfs/dbraw/zinc/87/02/13/374870213.db2.gz WYZUECQWDYKSEB-UHFFFAOYSA-N 1 0 251.721 1.746 40 0 CDABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)CCC(C)C)C2)C1 ZINC000306137940 374969610 /nfs/dbraw/zinc/96/96/10/374969610.db2.gz RKMZJADLJRRLOL-AWEZNQCLSA-N 1 0 282.428 1.992 40 0 CDABRO COC[C@H]1CC[N@H+](C)C2(CN(Cc3cccc(C)n3)C2)C1 ZINC000306141768 374971534 /nfs/dbraw/zinc/97/15/34/374971534.db2.gz WFZJCHNYGFRGJE-HNNXBMFYSA-N 1 0 289.423 1.933 40 0 CDABRO C[NH+](C)CCNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226749304 375394152 /nfs/dbraw/zinc/39/41/52/375394152.db2.gz UGIDEIYLDPVASO-OAHLLOKOSA-N 1 0 293.342 1.387 40 0 CDABRO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)[nH]c(=O)n1 ZINC000257214652 190012929 /nfs/dbraw/zinc/01/29/29/190012929.db2.gz CMUWZEYEXBZDOF-AWEZNQCLSA-N 1 0 298.346 1.277 40 0 CDABRO Cc1c[nH]c([C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257234151 190017290 /nfs/dbraw/zinc/01/72/90/190017290.db2.gz GSJZNCOUPSKECB-LBPRGKRZSA-N 1 0 262.357 1.130 40 0 CDABRO O=C(c1cncs1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257231892 190017101 /nfs/dbraw/zinc/01/71/01/190017101.db2.gz GIPWQRLRGJDRBI-GFCCVEGCSA-N 1 0 273.361 1.930 40 0 CDABRO OCC[NH+]1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1 ZINC000257255707 190020677 /nfs/dbraw/zinc/02/06/77/190020677.db2.gz KINPVBSSKVTGSG-UHFFFAOYSA-N 1 0 287.367 1.114 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2cccs2)C1 ZINC000257240479 190018790 /nfs/dbraw/zinc/01/87/90/190018790.db2.gz HTRKNVNTDLUFKI-CQSZACIVSA-N 1 0 282.409 1.206 40 0 CDABRO O=c1ccc(-c2ccccc2)nn1C[C@]1(O)CCC[NH2+]C1 ZINC000257267378 190022888 /nfs/dbraw/zinc/02/28/88/190022888.db2.gz MHBALFROJWQHRX-INIZCTEOSA-N 1 0 285.347 1.025 40 0 CDABRO CC(C)[N@@H+]1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000257279629 190025714 /nfs/dbraw/zinc/02/57/14/190025714.db2.gz OHMCFNISVKVTDR-GJZGRUSLSA-N 1 0 274.364 1.507 40 0 CDABRO Cn1cc(C(=O)N2CCC[C@@]3(C)[C@H]2CCC[N@@H+]3C)cn1 ZINC000257311515 190031867 /nfs/dbraw/zinc/03/18/67/190031867.db2.gz UJWILLYVHJRPLJ-HIFRSBDPSA-N 1 0 276.384 1.509 40 0 CDABRO Cn1cccc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257315377 190032399 /nfs/dbraw/zinc/03/23/99/190032399.db2.gz VBBSAANWWNMFMQ-OAHLLOKOSA-N 1 0 269.348 1.812 40 0 CDABRO CCN1CCC([N@@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257331857 190035474 /nfs/dbraw/zinc/03/54/74/190035474.db2.gz XUOQPVZQBYEZEG-CYBMUJFWSA-N 1 0 262.401 1.992 40 0 CDABRO Cc1cc(Nc2cnccn2)nc([C@@H]2CC[NH2+]C2)n1 ZINC000257338143 190036400 /nfs/dbraw/zinc/03/64/00/190036400.db2.gz YWBWBQKMVWFLPQ-SNVBAGLBSA-N 1 0 256.313 1.396 40 0 CDABRO CCn1cc(-c2cncc(CC3CC[NH2+]CC3)n2)cn1 ZINC000257341534 190037185 /nfs/dbraw/zinc/03/71/85/190037185.db2.gz ZKTFDEGQTWXRIO-UHFFFAOYSA-N 1 0 271.368 1.902 40 0 CDABRO Cc1cccnc1NC(=S)NCCC[NH+](C)C ZINC000007368010 170280035 /nfs/dbraw/zinc/28/00/35/170280035.db2.gz OHYUNJLNOONZNX-UHFFFAOYSA-N 1 0 252.387 1.628 40 0 CDABRO COc1ccc(C[NH2+]CC2(OC)CCOCC2)cn1 ZINC000331188487 376701511 /nfs/dbraw/zinc/70/15/11/376701511.db2.gz OJCGXEVZGQKMAX-UHFFFAOYSA-N 1 0 266.341 1.375 40 0 CDABRO CCc1nnc(NC(=O)Cc2cn3ccccc3n2)s1 ZINC000041304178 379364299 /nfs/dbraw/zinc/36/42/99/379364299.db2.gz FMWGFQDDYCMZBT-UHFFFAOYSA-N 1 0 287.348 1.929 40 0 CDABRO CCC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019498764 390228263 /nfs/dbraw/zinc/22/82/63/390228263.db2.gz RRSLORZVGJFWST-LBPRGKRZSA-N 1 0 288.395 1.581 40 0 CDABRO CN1C(=O)C(c2cccc(F)c2)=N[C@@]12CCC[NH2+]C2 ZINC000096516444 390533996 /nfs/dbraw/zinc/53/39/96/390533996.db2.gz HFMOAEQSGKXZRV-AWEZNQCLSA-N 1 0 261.300 1.167 40 0 CDABRO CCOc1cc([C@@H](N)c2nc(COC)n[nH]2)ccc1OC ZINC000095534417 390611336 /nfs/dbraw/zinc/61/13/36/390611336.db2.gz KOODHBAPUCCTGE-CYBMUJFWSA-N 1 0 292.339 1.407 40 0 CDABRO CO[C@@H]1CCCOC12CCN(C(=O)C1CC[NH2+]CC1)CC2 ZINC000257326522 391649713 /nfs/dbraw/zinc/64/97/13/391649713.db2.gz WXNIPBYRGLPMDW-CQSZACIVSA-N 1 0 296.411 1.173 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1[NH3+] ZINC000242547840 391941983 /nfs/dbraw/zinc/94/19/83/391941983.db2.gz KVMCSSHMWXSLEN-VWYCJHECSA-N 1 0 259.758 1.568 40 0 CDABRO CCc1ccc([C@@H]2[C@H](C[NH3+])[C@H]2S(C)(=O)=O)cc1 ZINC000242543502 391942914 /nfs/dbraw/zinc/94/29/14/391942914.db2.gz KCNTZBMFYQZVHI-YNEHKIRRSA-N 1 0 253.367 1.334 40 0 CDABRO CCOCC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096075231 286021430 /nfs/dbraw/zinc/02/14/30/286021430.db2.gz IAOZOBKYXOAUCK-UHFFFAOYSA-N 1 0 280.412 1.890 40 0 CDABRO CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCC[NH3+] ZINC000019364648 170776494 /nfs/dbraw/zinc/77/64/94/170776494.db2.gz LZHILMGWYQONIM-CQSZACIVSA-N 1 0 275.352 1.190 40 0 CDABRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000036299982 172592772 /nfs/dbraw/zinc/59/27/72/172592772.db2.gz UUCFKUROXIDWPO-UHFFFAOYSA-N 1 0 272.345 1.198 40 0 CDABRO COc1cc(OC)c([C@@H](C[NH3+])N2CCCC2)c(OC)c1 ZINC000037376716 173165639 /nfs/dbraw/zinc/16/56/39/173165639.db2.gz MWUHPMBXIDAIDT-GFCCVEGCSA-N 1 0 280.368 1.808 40 0 CDABRO CC(C)(C)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594227 175214698 /nfs/dbraw/zinc/21/46/98/175214698.db2.gz XKFJPEBBZBWNAA-UHFFFAOYSA-N 1 0 256.371 1.265 40 0 CDABRO CN(C)C(=O)[C@@]1(CCCc2cnccn2)CCC[NH2+]1 ZINC000072343804 176371885 /nfs/dbraw/zinc/37/18/85/176371885.db2.gz AWBIHLRBULICPF-CQSZACIVSA-N 1 0 262.357 1.010 40 0 CDABRO COC[C@@H]1C[NH2+]CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072343683 176371902 /nfs/dbraw/zinc/37/19/02/176371902.db2.gz ACBMVNXTIKNHCQ-LLVKDONJSA-N 1 0 282.771 1.648 40 0 CDABRO COCC[NH+]1CCC(c2cncc(-n3ccnc3)n2)CC1 ZINC000072355540 176375323 /nfs/dbraw/zinc/37/53/23/176375323.db2.gz AZWBGTGEDLTWAS-UHFFFAOYSA-N 1 0 287.367 1.488 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cc(CO)[nH]n3)C2)cn1 ZINC000072364266 176378833 /nfs/dbraw/zinc/37/88/33/176378833.db2.gz DWXYLJNPBQLQRD-GFCCVEGCSA-N 1 0 275.356 1.015 40 0 CDABRO O=C(NC1CCCC1)c1cnc(C2CC[NH2+]CC2)cn1 ZINC000072387006 176392530 /nfs/dbraw/zinc/39/25/30/176392530.db2.gz JDLCRPNIFRIDNE-UHFFFAOYSA-N 1 0 274.368 1.616 40 0 CDABRO FC1(F)CC[NH2+]C[C@]12CCN(Cc1ccccn1)C2 ZINC000096239824 265345696 /nfs/dbraw/zinc/34/56/96/265345696.db2.gz JMBCMQUCONSDMW-ZDUSSCGKSA-N 1 0 267.323 1.902 40 0 CDABRO COc1ccc(OC)c2c(NCC[NH3+])cc(C)[nH+]c12 ZINC000222691323 274115575 /nfs/dbraw/zinc/11/55/75/274115575.db2.gz ODQJTYDABZOTEN-UHFFFAOYSA-N 1 0 261.325 1.931 40 0 CDABRO CC(=O)N(C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000079418040 276951227 /nfs/dbraw/zinc/95/12/27/276951227.db2.gz UYCNEIOMSGPLBO-CABCVRRESA-N 1 0 297.443 1.608 40 0 CDABRO CO[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[C@H]1C ZINC000230243585 277663802 /nfs/dbraw/zinc/66/38/02/277663802.db2.gz PCBLDZHLBYGNHO-DAXOMENPSA-N 1 0 288.391 1.584 40 0 CDABRO CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](CC[NH3+])C1 ZINC000306124640 278419798 /nfs/dbraw/zinc/41/97/98/278419798.db2.gz BVRPPUHRPACTET-LLVKDONJSA-N 1 0 280.372 1.599 40 0 CDABRO Cc1c[nH]c([C@H]2CCCN2C(=O)C2([NH3+])CCCC2)n1 ZINC000257301043 301024473 /nfs/dbraw/zinc/02/44/73/301024473.db2.gz RWSWJBJWSVIDKK-LLVKDONJSA-N 1 0 262.357 1.653 40 0 CDABRO Cc1nc(C(=O)N2CCCSC[C@H]2C[NH+](C)C)cs1 ZINC000090699671 302550800 /nfs/dbraw/zinc/55/08/00/302550800.db2.gz CKXSERDVLJGHQM-LLVKDONJSA-N 1 0 299.465 1.961 40 0 CDABRO CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000132948590 323211108 /nfs/dbraw/zinc/21/11/08/323211108.db2.gz CBJRJCWNSRRCPY-WPPJOMGTSA-N 1 0 270.417 1.820 40 0 CDABRO C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C[C@H]1n1ccnc1 ZINC000247354621 524522810 /nfs/dbraw/zinc/52/28/10/524522810.db2.gz HDCYVZHEHHPOQK-FVQBIDKESA-N 1 0 298.390 1.993 40 0 CDABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccccc1Br ZINC000062713661 527222827 /nfs/dbraw/zinc/22/28/27/527222827.db2.gz PXPSEJWVEOZNCR-GXSJLCMTSA-N 1 0 256.143 1.874 40 0 CDABRO CN(Cc1ccccn1)C(=O)[C@@H]1CCO[C@@H]2CC[NH2+]C[C@@H]21 ZINC000096043494 185070069 /nfs/dbraw/zinc/07/00/69/185070069.db2.gz WRRDLJUENXZBBB-RBSFLKMASA-N 1 0 289.379 1.055 40 0 CDABRO O=C(c1cnccn1)N1CC[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC000096054161 185075354 /nfs/dbraw/zinc/07/53/54/185075354.db2.gz ZQTWZMODOSHTAB-ZIAGYGMSSA-N 1 0 286.379 1.281 40 0 CDABRO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CCC1 ZINC000096065773 185084295 /nfs/dbraw/zinc/08/42/95/185084295.db2.gz GZELJUBROIOZJS-SQWLQELKSA-N 1 0 296.411 1.123 40 0 CDABRO O=C1COC2(CC[NH2+]CC2)CN1Cc1ccc(F)cc1 ZINC000096088762 185094146 /nfs/dbraw/zinc/09/41/46/185094146.db2.gz PZGIXZGZCMCONR-UHFFFAOYSA-N 1 0 278.327 1.307 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccco1)CC[C@H]2OC ZINC000096108538 185100265 /nfs/dbraw/zinc/10/02/65/185100265.db2.gz FLVLWTGXBFKMMN-RRFJBIMHSA-N 1 0 292.379 1.390 40 0 CDABRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000096108638 185100401 /nfs/dbraw/zinc/10/04/01/185100401.db2.gz NUQPISWYLSFZRV-UKRRQHHQSA-N 1 0 265.328 1.921 40 0 CDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(Br)cs1 ZINC000396852785 342168734 /nfs/dbraw/zinc/16/87/34/342168734.db2.gz VLJFKLYJCSGYMI-YUMQZZPRSA-N 1 0 290.182 1.987 40 0 CDABRO C[N@@H+]1C[C@@H](CO)CC12CN(C(=O)c1ccc(Cl)cc1)C2 ZINC000585093731 342211296 /nfs/dbraw/zinc/21/12/96/342211296.db2.gz ATSHEWOGIFPEII-NSHDSACASA-N 1 0 294.782 1.479 40 0 CDABRO CCOCC(=O)N1Cc2ccnn2[C@@H](C[NH+](CC)CC)C1 ZINC000585095333 342211398 /nfs/dbraw/zinc/21/13/98/342211398.db2.gz NUSXHKKLWWBDPZ-AWEZNQCLSA-N 1 0 294.399 1.145 40 0 CDABRO COCc1nnc2n1CCN(Cc1cc(C)on1)[C@@H](C)C2 ZINC000585098727 342212033 /nfs/dbraw/zinc/21/20/33/342212033.db2.gz YBNMNMWBUUTXFD-JTQLQIEISA-N 1 0 291.355 1.168 40 0 CDABRO Cc1cccc(CO[C@H]2CSC3(C[NH2+]C3)C2)n1 ZINC000585105239 342212882 /nfs/dbraw/zinc/21/28/82/342212882.db2.gz RHUDNTKHSMVZAF-GFCCVEGCSA-N 1 0 250.367 1.754 40 0 CDABRO c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)cc1 ZINC000096248889 136519699 /nfs/dbraw/zinc/51/96/99/136519699.db2.gz QBDYPZPVHKZRBQ-CVEARBPZSA-N 1 0 296.374 1.566 40 0 CDABRO Cn1cc2c(n1)[C@@H](C[NH2+]Cc1ccncc1)OCC2 ZINC000096059689 282699174 /nfs/dbraw/zinc/69/91/74/282699174.db2.gz AKUSKNPARPRJOD-CYBMUJFWSA-N 1 0 258.325 1.219 40 0 CDABRO CC(C)NC(=O)C[C@H]1[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]12 ZINC000107745844 186189441 /nfs/dbraw/zinc/18/94/41/186189441.db2.gz RZKASGRFIZPQBV-BTTYYORXSA-N 1 0 262.353 1.872 40 0 CDABRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cccc(C)n3)C[C@@H]21 ZINC000108526030 186220430 /nfs/dbraw/zinc/22/04/30/186220430.db2.gz ATUSGTZTALMZQG-HOTGVXAUSA-N 1 0 289.379 1.212 40 0 CDABRO COCCN1CCO[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000108530497 186222524 /nfs/dbraw/zinc/22/25/24/186222524.db2.gz COMIAPAOKXDQDH-HOTGVXAUSA-N 1 0 291.395 1.003 40 0 CDABRO CN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cncn1C)C2 ZINC000108534656 186222547 /nfs/dbraw/zinc/22/25/47/186222547.db2.gz CYBPQFWXZUCNMS-GDBMZVCRSA-N 1 0 290.411 1.501 40 0 CDABRO COC[C@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000062160967 363033176 /nfs/dbraw/zinc/03/31/76/363033176.db2.gz KTSHRPVHWAMLBO-LBPRGKRZSA-N 1 0 266.341 1.254 40 0 CDABRO Fc1cccnc1N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC000108127317 283032071 /nfs/dbraw/zinc/03/20/71/283032071.db2.gz BCFBNHWZAYWJKH-AWEZNQCLSA-N 1 0 265.332 1.427 40 0 CDABRO CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@@H+]2CCC[C@H]12)C(C)C ZINC000014417680 356388030 /nfs/dbraw/zinc/38/80/30/356388030.db2.gz AORFDVNAPHMKAU-BJJXKVORSA-N 1 0 297.395 1.356 40 0 CDABRO Cc1nn(C)c(C)c1CCNC(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000019655679 356494100 /nfs/dbraw/zinc/49/41/00/356494100.db2.gz UVETWUPFHYBGEU-AWEZNQCLSA-N 1 0 292.427 1.570 40 0 CDABRO CCCN(CCC)C(=O)[C@H]1C[NH2+]Cc2cn(C)nc21 ZINC000019701748 283206782 /nfs/dbraw/zinc/20/67/82/283206782.db2.gz ROBHWEHFHJNZOS-LBPRGKRZSA-N 1 0 264.373 1.256 40 0 CDABRO CC(C)[N@H+](CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393526 356989579 /nfs/dbraw/zinc/98/95/79/356989579.db2.gz VCXQSAHZUMWOIS-INIZCTEOSA-N 1 0 262.397 1.964 40 0 CDABRO CN(C[C@H]1CCC[N@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407913 356991129 /nfs/dbraw/zinc/99/11/29/356991129.db2.gz FJCKMBBHVDETNU-GFCCVEGCSA-N 1 0 272.389 1.558 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)nn1 ZINC000079435879 356996252 /nfs/dbraw/zinc/99/62/52/356996252.db2.gz RVDJFDWZNIVELV-JTQLQIEISA-N 1 0 256.737 1.072 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cccc2c1OCCO2 ZINC000079421479 356996538 /nfs/dbraw/zinc/99/65/38/356996538.db2.gz XZZPDTIFKKULCC-ZDUSSCGKSA-N 1 0 278.352 1.400 40 0 CDABRO C[NH+](C)CCCNC(=O)c1ccc2c(c1)OCCO2 ZINC000047652947 357161974 /nfs/dbraw/zinc/16/19/74/357161974.db2.gz AVAUWAKANJIGQY-UHFFFAOYSA-N 1 0 264.325 1.139 40 0 CDABRO [NH3+][C@@H]1CCCN(c2nccn3nc(C4CC4)cc23)C1 ZINC000096516391 357522079 /nfs/dbraw/zinc/52/20/79/357522079.db2.gz UPXUSKHMLCPDQX-LLVKDONJSA-N 1 0 257.341 1.534 40 0 CDABRO NC(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1CC1CCCCC1 ZINC000257234043 283340809 /nfs/dbraw/zinc/34/08/09/283340809.db2.gz GRWBQBGTWJGDCR-INIZCTEOSA-N 1 0 288.395 1.833 40 0 CDABRO c1cnc(N2CCC[C@]3(C2)C[N@H+](CC2CC2)CCO3)cn1 ZINC000096049172 358706174 /nfs/dbraw/zinc/70/61/74/358706174.db2.gz AAGKATQPSPHTCY-MRXNPFEDSA-N 1 0 288.395 1.558 40 0 CDABRO C[NH+](C)[C@H]1CCN(CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000062963770 358761617 /nfs/dbraw/zinc/76/16/17/358761617.db2.gz MXLASISLCBSLFY-LBPRGKRZSA-N 1 0 294.374 1.372 40 0 CDABRO CS(=O)(=O)N1CCCC12CC[NH+](CC1CC1)CC2 ZINC000096049358 358707167 /nfs/dbraw/zinc/70/71/67/358707167.db2.gz DAURAVXEVLINLS-UHFFFAOYSA-N 1 0 272.414 1.286 40 0 CDABRO c1cnc(N2C[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]3C2)nc1 ZINC000096054018 358707278 /nfs/dbraw/zinc/70/72/78/358707278.db2.gz JCEFMOZUTBFHNW-GASCZTMLSA-N 1 0 288.395 1.271 40 0 CDABRO c1coc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nncs2)c1 ZINC000096184877 358714012 /nfs/dbraw/zinc/71/40/12/358714012.db2.gz WCJCRIMXZUAVNX-NEPJUHHUSA-N 1 0 276.365 1.984 40 0 CDABRO C[NH+](C)[C@@H]1CCN(C(=O)CC2CC2)[C@H]1Cc1ccncc1 ZINC000096201009 358718130 /nfs/dbraw/zinc/71/81/30/358718130.db2.gz PNDZGXPVHPJULJ-CVEARBPZSA-N 1 0 287.407 1.955 40 0 CDABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1ccncc1 ZINC000096200998 358718354 /nfs/dbraw/zinc/71/83/54/358718354.db2.gz KWWGGMPCCCCJDQ-CVEARBPZSA-N 1 0 298.390 1.797 40 0 CDABRO O=C(c1ccco1)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000096246059 358725846 /nfs/dbraw/zinc/72/58/46/358725846.db2.gz YDUSOOHFWLWEON-HZSPNIEDSA-N 1 0 290.363 1.462 40 0 CDABRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@H]21 ZINC000096249493 358726521 /nfs/dbraw/zinc/72/65/21/358726521.db2.gz JEBNGVPJHDYRET-HUUCEWRRSA-N 1 0 277.368 1.226 40 0 CDABRO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](CC3CC3)[C@@H]2C1 ZINC000096251670 358726906 /nfs/dbraw/zinc/72/69/06/358726906.db2.gz CTNWJIPVUFUUNU-BFHYXJOUSA-N 1 0 266.385 1.400 40 0 CDABRO CCOc1ncnc2c1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096255623 358728883 /nfs/dbraw/zinc/72/88/83/358728883.db2.gz SGRRXIQNHOUGRS-GFCCVEGCSA-N 1 0 277.368 1.312 40 0 CDABRO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@H]2CCOC2)nc1 ZINC000107200760 359016661 /nfs/dbraw/zinc/01/66/61/359016661.db2.gz SZIXKWICPMXPSQ-MCIONIFRSA-N 1 0 274.368 1.166 40 0 CDABRO CCOC(=O)c1ccccc1NC(=O)C[NH2+]C(C)C ZINC000001671767 364404537 /nfs/dbraw/zinc/40/45/37/364404537.db2.gz LLIIAEFTTFXNLA-UHFFFAOYSA-N 1 0 264.325 1.800 40 0 CDABRO C[NH2+]C[C@H](C)CNC(=O)Cc1cccc(Cl)c1 ZINC000148862220 364433250 /nfs/dbraw/zinc/43/32/50/364433250.db2.gz PXVQCPVKCRDDBS-JTQLQIEISA-N 1 0 254.761 1.854 40 0 CDABRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000305212682 364891158 /nfs/dbraw/zinc/89/11/58/364891158.db2.gz HMOSRHFGTRUENM-BBRMVZONSA-N 1 0 294.395 1.078 40 0 CDABRO COCC[NH2+]CCNC(=O)[C@H]1CSc2ccccc21 ZINC000212764960 189689103 /nfs/dbraw/zinc/68/91/03/189689103.db2.gz HHSLAKYCUPRXOE-LBPRGKRZSA-N 1 0 280.393 1.228 40 0 CDABRO [NH3+]CCCC(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000225462452 189752422 /nfs/dbraw/zinc/75/24/22/189752422.db2.gz UDEABGKHUOGMQR-UHFFFAOYSA-N 1 0 289.379 1.100 40 0 CDABRO Cc1cc(C[N@@H+](C)C[C@H](C)O)ccc1-n1cncn1 ZINC000130685562 369605479 /nfs/dbraw/zinc/60/54/79/369605479.db2.gz ZZQTYDFDSXFAJE-LBPRGKRZSA-N 1 0 260.341 1.388 40 0 CDABRO Cc1cnc([C@H](C)N2CCC[C@H](n3ccnn3)C2)o1 ZINC000333418538 205303730 /nfs/dbraw/zinc/30/37/30/205303730.db2.gz RGQKYYMNOYIGTR-RYUDHWBXSA-N 1 0 261.329 1.973 40 0 CDABRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](CC3CC3)C2)o1 ZINC000049170505 373981378 /nfs/dbraw/zinc/98/13/78/373981378.db2.gz OKLXFPOUCPWEGC-NSHDSACASA-N 1 0 273.340 1.669 40 0 biogenic,in-vitro CDABRO Cc1cccc(OC[C@H](O)CN2CCC[NH2+]CC2)c1 ZINC000064875924 374240636 /nfs/dbraw/zinc/24/06/36/374240636.db2.gz XDAXKENFTDFOCV-CQSZACIVSA-N 1 0 264.369 1.030 40 0 CDABRO COC[C@H]1CC2(CN1C(=O)c1cccn1C)CC[NH2+]CC2 ZINC000306129035 374967705 /nfs/dbraw/zinc/96/77/05/374967705.db2.gz HSECDHVOFHIRCX-CYBMUJFWSA-N 1 0 291.395 1.256 40 0 CDABRO Cc1cc(C[C@H]2COCC[N@H+](Cc3ccccn3)C2)ncn1 ZINC000257217831 190013744 /nfs/dbraw/zinc/01/37/44/190013744.db2.gz DAUNPNUBLPNAQS-OAHLLOKOSA-N 1 0 298.390 1.871 40 0 CDABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2c[nH]cn2)n1 ZINC000257222315 190014790 /nfs/dbraw/zinc/01/47/90/190014790.db2.gz DSVCLWFJZZECCD-AWEZNQCLSA-N 1 0 286.383 1.598 40 0 CDABRO C[N@@H+]1CCC[C@H]1c1ccnc(C(=O)NCc2ccnnc2)c1 ZINC000257248902 190020064 /nfs/dbraw/zinc/02/00/64/190020064.db2.gz JFTKQGNVYYAWOX-HNNXBMFYSA-N 1 0 297.362 1.568 40 0 CDABRO [NH3+][C@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218041229 375780693 /nfs/dbraw/zinc/78/06/93/375780693.db2.gz QSGXPGZAIDUJBB-KKUMJFAQSA-N 1 0 273.357 1.954 40 0 CDABRO C[N@@H+]1CCCCC[C@@H]2N(S(C)(=O)=O)CC[C@@]21C ZINC000257270279 190023704 /nfs/dbraw/zinc/02/37/04/190023704.db2.gz MTMZIIOJKSDOQL-RYUDHWBXSA-N 1 0 260.403 1.285 40 0 CDABRO Cn1cncc1CN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257269747 190023910 /nfs/dbraw/zinc/02/39/10/190023910.db2.gz MRFFANLYMPYQSX-MRXNPFEDSA-N 1 0 270.380 1.909 40 0 CDABRO CCc1nc(C)c(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)[nH]1 ZINC000257280997 190026084 /nfs/dbraw/zinc/02/60/84/190026084.db2.gz ONGDGZRCHGUCHP-AWEZNQCLSA-N 1 0 293.411 1.786 40 0 CDABRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133480753 375787917 /nfs/dbraw/zinc/78/79/17/375787917.db2.gz CIATYASZPCPSSE-LSDHHAIUSA-N 1 0 296.436 1.852 40 0 CDABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cnco1 ZINC000257312844 190032217 /nfs/dbraw/zinc/03/22/17/190032217.db2.gz UPUKNXFEBXKLSJ-QMPIGLIWSA-N 1 0 275.352 1.810 40 0 CDABRO CC[NH+]1CCC(N2CCO[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257320061 190033315 /nfs/dbraw/zinc/03/33/15/190033315.db2.gz VVEDNEGSXDWPJI-AWEZNQCLSA-N 1 0 278.400 1.576 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000257326861 190034818 /nfs/dbraw/zinc/03/48/18/190034818.db2.gz WYXZTKREYNWUPJ-GFCCVEGCSA-N 1 0 262.357 1.210 40 0 CDABRO COCCNC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1C ZINC000257289561 285073056 /nfs/dbraw/zinc/07/30/56/285073056.db2.gz PZFCOCGVNSKOEI-MRXNPFEDSA-N 1 0 276.380 1.456 40 0 CDABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@]2(C[NH3+])CO)cc1 ZINC000252515948 256690204 /nfs/dbraw/zinc/69/02/04/256690204.db2.gz OWGHEIDQVFILHI-RBSFLKMASA-N 1 0 297.420 1.087 40 0 CDABRO O=C1C[C@]2(CC[N@H+](CC3CC3)C2)CN1c1cccnc1 ZINC000096239129 256829424 /nfs/dbraw/zinc/82/94/24/256829424.db2.gz VDVMXJYPNRJPQQ-INIZCTEOSA-N 1 0 271.364 1.920 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@]1(C[NH3+])COC ZINC000242543371 390275845 /nfs/dbraw/zinc/27/58/45/390275845.db2.gz JYQUWIOREHRYDE-ZNMIVQPWSA-N 1 0 297.420 1.487 40 0 CDABRO [NH3+]C[C@H](c1cncc(Br)c1)N1CCCC1 ZINC000096511144 390531096 /nfs/dbraw/zinc/53/10/96/390531096.db2.gz JLZZPQIWBPOIKR-LLVKDONJSA-N 1 0 270.174 1.940 40 0 CDABRO Cc1n[nH]c(C)c1CCCN1CCCC[C@@H]1C[NH3+] ZINC000096523568 390536641 /nfs/dbraw/zinc/53/66/41/390536641.db2.gz GIMGLRMYAGDKJT-CYBMUJFWSA-N 1 0 250.390 1.772 40 0 CDABRO CN(C)C[C@@H]1C[C@@H]2CN(c3ncc(F)cn3)CC[C@@H]2[N@@H+]1C ZINC000107202873 390569490 /nfs/dbraw/zinc/56/94/90/390569490.db2.gz SVWAGUMOZGYIAE-XBFCOCLRSA-N 1 0 293.390 1.076 40 0 CDABRO O=C1C[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccccc1 ZINC000096157201 390913257 /nfs/dbraw/zinc/91/32/57/390913257.db2.gz VMTDYXMGHBLEEU-HNNXBMFYSA-N 1 0 258.321 1.315 40 0 CDABRO Cc1cnc(N2CCC3(C[C@@H]3C[NH+](C)C)CC2)nc1 ZINC000096238288 390913575 /nfs/dbraw/zinc/91/35/75/390913575.db2.gz CGCBSGDIZITUDK-CYBMUJFWSA-N 1 0 260.385 1.953 40 0 CDABRO C[C@H](NCCC[NH+](C)C)C(=O)N1CCc2ccccc21 ZINC000026439551 391105915 /nfs/dbraw/zinc/10/59/15/391105915.db2.gz RZFQQANCJYPVAM-ZDUSSCGKSA-N 1 0 275.396 1.506 40 0 CDABRO CS(=O)(=O)[C@H]1[C@@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218510725 130769421 /nfs/dbraw/zinc/76/94/21/130769421.db2.gz GZGSBWKRRLBILB-DCAQKATOSA-N 1 0 259.758 1.425 40 0 CDABRO CC(C)(C)C[NH2+][C@@H]1CO[C@H](CNC(=O)C2CCCC2)[C@H]1O ZINC000096296094 393174579 /nfs/dbraw/zinc/17/45/79/393174579.db2.gz WRKFIVYENGCYPA-MCIONIFRSA-N 1 0 298.427 1.057 40 0 biogenic,in-vitro CDABRO Cc1ccc(C(=O)N2Cc3cncn3[C@H](C[NH+](C)C)C2)cn1 ZINC000248146947 292070710 /nfs/dbraw/zinc/07/07/10/292070710.db2.gz WBPZJJZHZQDRAK-OAHLLOKOSA-N 1 0 299.378 1.345 40 0 CDABRO CC(C)C(=O)N1CCC2(CCC[N@@H+]2CCN(C)C)CC1 ZINC000096075242 398069616 /nfs/dbraw/zinc/06/96/16/398069616.db2.gz RTYQCCNYCLFNEY-UHFFFAOYSA-N 1 0 281.444 1.661 40 0 CDABRO CSC(=S)[N+](C)=c1nc(N(C)C)ss1 ZINC000005811627 170142441 /nfs/dbraw/zinc/14/24/41/170142441.db2.gz CORFYYMKJFCIBG-UHFFFAOYSA-N 1 0 266.462 1.321 40 0 CDABRO C[N@H+](CCO)CCC[C@@H]1COc2ccccc2O1 ZINC000005854302 170147533 /nfs/dbraw/zinc/14/75/33/170147533.db2.gz PARIMXMLMWNNGN-GFCCVEGCSA-N 1 0 251.326 1.531 40 0 CDABRO CC1=C[C@@H](C)[C@H]2C(=O)N(Cc3ccc[n+](C)c3)C(=O)[C@@H]2C1 ZINC000006183102 170181052 /nfs/dbraw/zinc/18/10/52/170181052.db2.gz PYBDZRRKYOKDCJ-BPLDGKMQSA-N 1 0 285.367 1.598 40 0 CDABRO COc1ccc(NC(=S)NCCC[NH+](C)C)cn1 ZINC000007065234 170265668 /nfs/dbraw/zinc/26/56/68/170265668.db2.gz ZRRFEQYEJMQJOL-UHFFFAOYSA-N 1 0 268.386 1.328 40 0 CDABRO CN1CC[NH+](C2CCN(Cc3ccncc3)CC2)CC1 ZINC000020220137 171082149 /nfs/dbraw/zinc/08/21/49/171082149.db2.gz RFKSKRJHUPOZDD-UHFFFAOYSA-N 1 0 274.412 1.293 40 0 CDABRO CN1C[C@@H]([NH3+])C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464346 171209358 /nfs/dbraw/zinc/20/93/58/171209358.db2.gz YXDDUHVSFNYCOD-UWVGGRQHSA-N 1 0 288.307 1.169 40 0 biogenic,in-vitro CDABRO CC[NH+]1CCN([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000022585880 171392934 /nfs/dbraw/zinc/39/29/34/171392934.db2.gz CFGRJFGTOBAVKI-CQSZACIVSA-N 1 0 287.407 1.602 40 0 CDABRO [NH3+]CCS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000044248619 175156568 /nfs/dbraw/zinc/15/65/68/175156568.db2.gz GHIWGWIJRLICHA-UHFFFAOYSA-N 1 0 254.138 1.726 40 0 CDABRO Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072344299 176373159 /nfs/dbraw/zinc/37/31/59/176373159.db2.gz NHILYYDBIMVHOS-LBPRGKRZSA-N 1 0 276.384 1.273 40 0 CDABRO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[NH2+]2)[nH]n1 ZINC000072348359 176373194 /nfs/dbraw/zinc/37/31/94/176373194.db2.gz IZAWHIVIISOUDZ-NSHDSACASA-N 1 0 262.357 1.897 40 0 CDABRO c1cn(-c2cncc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cn1 ZINC000072355619 176374766 /nfs/dbraw/zinc/37/47/66/176374766.db2.gz NSEAICKWZIWNCP-OAHLLOKOSA-N 1 0 299.378 1.978 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccsc1 ZINC000072397589 176394831 /nfs/dbraw/zinc/39/48/31/176394831.db2.gz IWGCWUJJYLIYCP-WCFLWFBJSA-N 1 0 252.383 1.387 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(F)cc1F ZINC000072397665 176395236 /nfs/dbraw/zinc/39/52/36/176395236.db2.gz VJVHQBVGMRIQIJ-DDTOSNHZSA-N 1 0 282.334 1.604 40 0 CDABRO CSCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnn(C)c1 ZINC000072398431 176396586 /nfs/dbraw/zinc/39/65/86/176396586.db2.gz RNARPGAFBMOIKB-GJZGRUSLSA-N 1 0 294.468 1.822 40 0 CDABRO CCn1nccc1-c1cnc(C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000257322742 262746032 /nfs/dbraw/zinc/74/60/32/262746032.db2.gz WHEUYIYEKZHEQK-LBPRGKRZSA-N 1 0 271.368 1.854 40 0 CDABRO c1nc2n(c1-c1cccnc1)CCNC21CC[NH2+]CC1 ZINC000107488171 275076453 /nfs/dbraw/zinc/07/64/53/275076453.db2.gz OQWSNYQUOBTVRG-UHFFFAOYSA-N 1 0 269.352 1.127 40 0 CDABRO CC(C)[C@@H]1COC(=O)N1c1cnc(C2CC[NH2+]CC2)cn1 ZINC000257201820 277815869 /nfs/dbraw/zinc/81/58/69/277815869.db2.gz AJDMHKHWTDJMLC-ZDUSSCGKSA-N 1 0 290.367 1.925 40 0 CDABRO C[n+]1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1 ZINC000226773749 278574860 /nfs/dbraw/zinc/57/48/60/278574860.db2.gz RFAYNMRQRPDICI-UHFFFAOYSA-N 1 0 286.262 1.696 40 0 CDABRO NC(=O)C[C@@H]1COCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC000930674325 777008894 /nfs/dbraw/zinc/00/88/94/777008894.db2.gz DTDJFSDKSBZOIK-CYBMUJFWSA-N 1 0 266.385 1.533 40 0 CDABRO [NH3+][C@@H](Cc1ccccc1)c1nc([C@H]2CCCO2)n[nH]1 ZINC000095534906 185007984 /nfs/dbraw/zinc/00/79/84/185007984.db2.gz CSEGQTQTHWYHON-NWDGAFQWSA-N 1 0 258.325 1.899 40 0 CDABRO O=C(N1CCCO1)[C@@]12CCO[C@@H]1CC[N@H+](CC1CC1)C2 ZINC000096038841 185069181 /nfs/dbraw/zinc/06/91/81/185069181.db2.gz IJNMUULMZWWNTE-UKRRQHHQSA-N 1 0 280.368 1.041 40 0 CDABRO COCC[N@@H+]1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039925 185069363 /nfs/dbraw/zinc/06/93/63/185069363.db2.gz QASASMSFTLZCOM-JKSUJKDBSA-N 1 0 283.412 1.931 40 0 CDABRO c1cncc(CO[C@@H]2C[C@@H]3C[N@H+](CC4CC4)CCN3C2)c1 ZINC000096055047 185076814 /nfs/dbraw/zinc/07/68/14/185076814.db2.gz YRLXUVSHVKUPFH-IAGOWNOFSA-N 1 0 287.407 1.767 40 0 CDABRO C[C@H]1N(C)C(=O)COC12CC[NH+](Cc1ccco1)CC2 ZINC000096062218 185083122 /nfs/dbraw/zinc/08/31/22/185083122.db2.gz XFMPBJRLFLCFDH-GFCCVEGCSA-N 1 0 278.352 1.491 40 0 CDABRO CC[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096065831 185084324 /nfs/dbraw/zinc/08/43/24/185084324.db2.gz IBNCFGVQXJTCKB-RRFJBIMHSA-N 1 0 262.353 1.850 40 0 CDABRO C[NH+](C)CC(=O)N1CC2(CCN2Cc2ccsc2)C1 ZINC000096078754 185090370 /nfs/dbraw/zinc/09/03/70/185090370.db2.gz NGWGZMAZXXIORP-UHFFFAOYSA-N 1 0 279.409 1.096 40 0 CDABRO Cn1nccc1-c1cc(CC2CC[NH2+]CC2)ncn1 ZINC000585180150 342232573 /nfs/dbraw/zinc/23/25/73/342232573.db2.gz TXNGUJCVFACIBU-UHFFFAOYSA-N 1 0 257.341 1.419 40 0 CDABRO CC[NH+](CC)CCCNC(=O)c1nn(C(C)C)cc1N ZINC000685936709 539099043 /nfs/dbraw/zinc/09/90/43/539099043.db2.gz SAZCKXXOVNRYQN-UHFFFAOYSA-N 1 0 281.404 1.508 40 0 CDABRO CO[C@@H]1COC[C@@H](C[NH2+]Cc2cc(C)ccc2C)[C@@H]1O ZINC000585286961 342258605 /nfs/dbraw/zinc/25/86/05/342258605.db2.gz PGKNUEQNUXAJPV-OAGGEKHMSA-N 1 0 279.380 1.415 40 0 CDABRO COCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585288975 342258779 /nfs/dbraw/zinc/25/87/79/342258779.db2.gz MANKCMGEDJAHJS-RRFJBIMHSA-N 1 0 283.343 1.723 40 0 CDABRO OCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289942 342258802 /nfs/dbraw/zinc/25/88/02/342258802.db2.gz XZDQFJGVZOXLPY-BFHYXJOUSA-N 1 0 285.771 1.583 40 0 CDABRO C[N@@H+]1C[C@H]2C[C@@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000247961358 362140456 /nfs/dbraw/zinc/14/04/56/362140456.db2.gz FGAASFNDKBLSEO-MGPQQGTHSA-N 1 0 260.337 1.022 40 0 CDABRO CN(C)C(=O)CO[C@H]1CCOC2(C[NH+](C3CCCC3)C2)C1 ZINC000248037512 362146307 /nfs/dbraw/zinc/14/63/07/362146307.db2.gz VBCHPLGFZJUZNU-AWEZNQCLSA-N 1 0 296.411 1.267 40 0 CDABRO C[NH+]1CC2(C1)C[C@@H](Oc1ncccc1F)CS2 ZINC000248083184 362149838 /nfs/dbraw/zinc/14/98/38/362149838.db2.gz QMHZFUJYPCKNFR-SECBINFHSA-N 1 0 254.330 1.789 40 0 CDABRO Cc1cc(Cl)ccc1CN1CC[NH+](CCO)CC1 ZINC000136132643 362171425 /nfs/dbraw/zinc/17/14/25/362171425.db2.gz REIHDGROGRNDEG-UHFFFAOYSA-N 1 0 268.788 1.758 40 0 CDABRO COc1ccc(-c2nsc(N3CC[NH2+]CC3)n2)cc1 ZINC000143537974 362213841 /nfs/dbraw/zinc/21/38/41/362213841.db2.gz JBAGMHVVXBWMCS-UHFFFAOYSA-N 1 0 276.365 1.623 40 0 CDABRO CC(C)[N@@H+]1CCN2C(=O)N(c3ccccn3)C[C@H]2C1 ZINC000085436162 179062850 /nfs/dbraw/zinc/06/28/50/179062850.db2.gz SHXHBWDYWUTQEH-GFCCVEGCSA-N 1 0 260.341 1.416 40 0 biogenic,in-vitro CDABRO c1nc(NC2CC2)cc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000413053581 362752201 /nfs/dbraw/zinc/75/22/01/362752201.db2.gz NXOUYKDDFGPVBH-CYBMUJFWSA-N 1 0 273.384 1.725 40 0 CDABRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](C)Cc1ccccc1 ZINC000170084906 362845959 /nfs/dbraw/zinc/84/59/59/362845959.db2.gz KKEDREBDTMFYQW-SNPRPXQTSA-N 1 0 277.364 1.473 40 0 CDABRO Cc1cccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3C(C)C)n1 ZINC000107251509 186164861 /nfs/dbraw/zinc/16/48/61/186164861.db2.gz ZMQNNQXKYCQABV-LSDHHAIUSA-N 1 0 273.380 1.974 40 0 CDABRO Cc1nc(CN2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3C2)c[nH]1 ZINC000108527710 186220672 /nfs/dbraw/zinc/22/06/72/186220672.db2.gz KMCMRYHXOACQNJ-HOTGVXAUSA-N 1 0 290.411 1.403 40 0 CDABRO C(CN1CCOCC1)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000001676237 355946484 /nfs/dbraw/zinc/94/64/84/355946484.db2.gz RIRPALZBRVUNDU-HUUCEWRRSA-N 1 0 252.402 1.831 40 0 CDABRO Cc1nc([C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc(=O)[nH]1 ZINC000019240938 356477510 /nfs/dbraw/zinc/47/75/10/356477510.db2.gz NVSYSZWRZLIDEA-LBPRGKRZSA-N 1 0 268.320 1.802 40 0 CDABRO CCN(C(=O)c1cnn2cccnc12)C1CC[NH+](C)CC1 ZINC000019657735 356494080 /nfs/dbraw/zinc/49/40/80/356494080.db2.gz LUSJDKVGESPRKH-UHFFFAOYSA-N 1 0 287.367 1.286 40 0 CDABRO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C(=O)NC2CCCC2)C1 ZINC000019747828 356499143 /nfs/dbraw/zinc/49/91/43/356499143.db2.gz XDBBLMJVEAPQEX-CYBMUJFWSA-N 1 0 290.411 1.609 40 0 CDABRO CNC(=O)CC1CC[NH+](Cc2cccnc2N(C)C)CC1 ZINC000019748519 356499219 /nfs/dbraw/zinc/49/92/19/356499219.db2.gz PGDPMGWUTOENTH-UHFFFAOYSA-N 1 0 290.411 1.496 40 0 CDABRO COc1ccc(C(=O)[C@@H](C)CN2CCOCC2)cc1 ZINC000031938720 356772627 /nfs/dbraw/zinc/77/26/27/356772627.db2.gz FSVZPKWRXWZRQY-LBPRGKRZSA-N 1 0 263.337 1.846 40 0 CDABRO CN(CC[NH3+])C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391749 356988598 /nfs/dbraw/zinc/98/85/98/356988598.db2.gz VWKDDECMTYMZOW-UHFFFAOYSA-N 1 0 291.395 1.678 40 0 CDABRO CN(C[C@@H]1CCCC[N@@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407903 356990832 /nfs/dbraw/zinc/99/08/32/356990832.db2.gz HIYGROAJCLIOHS-LBPRGKRZSA-N 1 0 272.389 1.700 40 0 CDABRO CN(C[C@@H]1CC[N@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407877 356991013 /nfs/dbraw/zinc/99/10/13/356991013.db2.gz IJSLDRLGZISIDT-NSHDSACASA-N 1 0 258.362 1.168 40 0 CDABRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(CC[NH3+])C1 ZINC000079408322 356992525 /nfs/dbraw/zinc/99/25/25/356992525.db2.gz QRXBZCGJELHJRT-NSHDSACASA-N 1 0 257.378 1.182 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000079409616 356992750 /nfs/dbraw/zinc/99/27/50/356992750.db2.gz STPVIPMYTRSJPX-NSHDSACASA-N 1 0 299.415 1.439 40 0 CDABRO OCCN1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414346 356993550 /nfs/dbraw/zinc/99/35/50/356993550.db2.gz YMRUNCIESDOUHQ-INIZCTEOSA-N 1 0 260.381 1.718 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1nccs1)C1CC1 ZINC000079436371 356996589 /nfs/dbraw/zinc/99/65/89/356996589.db2.gz HQFDMTCECBURPW-NSHDSACASA-N 1 0 281.381 1.300 40 0 CDABRO COC[C@@H]1C[N@H+](C)C2(CN(C(=O)c3ccc(C)cn3)C2)C1 ZINC000585093945 358099011 /nfs/dbraw/zinc/09/90/11/358099011.db2.gz RQRFSCRROXCTEL-ZDUSSCGKSA-N 1 0 289.379 1.183 40 0 CDABRO O=C(c1ccco1)N1CC2(C1)C[C@@H](CO)C[N@@H+]2CC1CC1 ZINC000585093964 358099136 /nfs/dbraw/zinc/09/91/36/358099136.db2.gz UFBUJTNDLZUMFP-CYBMUJFWSA-N 1 0 290.363 1.198 40 0 CDABRO CC(C)[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)C1CCOCC1 ZINC000072685601 358564158 /nfs/dbraw/zinc/56/41/58/358564158.db2.gz QMOAVJOSEMEHCD-ZIAGYGMSSA-N 1 0 298.427 1.512 40 0 CDABRO Cc1nnn2c1COC[C@@H](C[NH2+]Cc1cccs1)C2 ZINC000096199303 358717154 /nfs/dbraw/zinc/71/71/54/358717154.db2.gz WKHFVIKYQPBUDO-NSHDSACASA-N 1 0 278.381 1.584 40 0 CDABRO O=C(C[C@@H]1OC[C@H]2C[N@@H+](C3CCC3)CC[C@H]21)N1CCCC1 ZINC000096219242 358722395 /nfs/dbraw/zinc/72/23/95/358722395.db2.gz ZSWGPITWVOLWCM-BMFZPTHFSA-N 1 0 292.423 1.888 40 0 CDABRO CCN1C(=O)CCC12CC[NH+]([C@@H]1CCOC1)CC2 ZINC000096228020 358724033 /nfs/dbraw/zinc/72/40/33/358724033.db2.gz WWFSFZOFKHRMGT-GFCCVEGCSA-N 1 0 252.358 1.252 40 0 CDABRO O=C1C[C@]2(CC[N@H+](Cc3ccco3)C2)CN1c1cncnc1 ZINC000096239197 358724565 /nfs/dbraw/zinc/72/45/65/358724565.db2.gz KMCQCUIYLRBJCF-INIZCTEOSA-N 1 0 298.346 1.699 40 0 CDABRO COCC[NH+]1CCC(c2nc3ccc(C)cn3n2)CC1 ZINC000096260701 358729481 /nfs/dbraw/zinc/72/94/81/358729481.db2.gz RFPFIYHWWFVRKC-UHFFFAOYSA-N 1 0 274.368 1.864 40 0 CDABRO O=C(Nc1cccc(F)c1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000096268883 358730460 /nfs/dbraw/zinc/73/04/60/358730460.db2.gz YOQACHAWBQDFJV-CQSZACIVSA-N 1 0 277.299 1.663 40 0 CDABRO CCCn1c2ccccc2nc1CN1CC[NH2+]CC1 ZINC000051639833 358951975 /nfs/dbraw/zinc/95/19/75/358951975.db2.gz WTIHMKDCGUNFBR-UHFFFAOYSA-N 1 0 258.369 1.852 40 0 CDABRO COc1cc(OC)cc([C@@H](C[NH3+])N2CCOCC2)c1 ZINC000019840861 358999755 /nfs/dbraw/zinc/99/97/55/358999755.db2.gz ILVIJSKSXJSYMY-CQSZACIVSA-N 1 0 266.341 1.036 40 0 CDABRO COC[C@]1([NH3+])C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218004658 360949939 /nfs/dbraw/zinc/94/99/39/360949939.db2.gz XMBNVDRJNGNVCA-WDEREUQCSA-N 1 0 275.757 1.230 40 0 CDABRO C[NH+](C)CCCNCc1cnc(N2CCCC2)nc1 ZINC000062718499 364839825 /nfs/dbraw/zinc/83/98/25/364839825.db2.gz XPXNIJNFNODFOO-UHFFFAOYSA-N 1 0 263.389 1.118 40 0 CDABRO Clc1nc2[nH]ccc2c(N[C@@H]2CCC[NH2+]C2)n1 ZINC000575432068 364908877 /nfs/dbraw/zinc/90/88/77/364908877.db2.gz BNFIGKKSNUIKPA-SSDOTTSWSA-N 1 0 251.721 1.197 40 0 CDABRO CC[N@@H+](CC(N)=O)CC1CCN(c2ccccn2)CC1 ZINC000076108874 366983435 /nfs/dbraw/zinc/98/34/35/366983435.db2.gz RISXJRIMRWXIGS-UHFFFAOYSA-N 1 0 276.384 1.105 40 0 CDABRO c1ccc(CN2C[C@]3(CC[NH2+]C3)c3ncccc32)nc1 ZINC000306144389 374972259 /nfs/dbraw/zinc/97/22/59/374972259.db2.gz ZDYDSYWABMRJMH-MRXNPFEDSA-N 1 0 266.348 1.728 40 0 CDABRO COCCn1ccnc1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000306143000 374972583 /nfs/dbraw/zinc/97/25/83/374972583.db2.gz XQFLTAWPDZVZMP-CQSZACIVSA-N 1 0 257.337 1.765 40 0 CDABRO Cc1cc(-c2nccnc2C[C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000257214774 190013054 /nfs/dbraw/zinc/01/30/54/190013054.db2.gz CNKDMTSLJGECPP-NSHDSACASA-N 1 0 257.341 1.717 40 0 CDABRO Cc1n[nH]cc1-c1cnc([C@H]2CCC[N@@H+](C)C2)cn1 ZINC000257214574 190013256 /nfs/dbraw/zinc/01/32/56/190013256.db2.gz CMMVWTXJJMXRQO-NSHDSACASA-N 1 0 257.341 1.984 40 0 CDABRO Cc1cncc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1 ZINC000257212952 190013300 /nfs/dbraw/zinc/01/33/00/190013300.db2.gz CFOUFXUJPYXPLC-RBSFLKMASA-N 1 0 289.379 1.108 40 0 CDABRO Nc1nc(C2CC[NH2+]CC2)ccc1C(=O)NC1CCCC1 ZINC000257250815 190019907 /nfs/dbraw/zinc/01/99/07/190019907.db2.gz JOCRUZKIVYDOHX-UHFFFAOYSA-N 1 0 288.395 1.803 40 0 CDABRO CN(C)Cc1c[nH]c([C@H]2CC[N@H+](Cc3cncn3C)C2)n1 ZINC000257252054 190020179 /nfs/dbraw/zinc/02/01/79/190020179.db2.gz JTJKABXJHCMDOX-LBPRGKRZSA-N 1 0 288.399 1.194 40 0 CDABRO NC(=O)c1cccc(-c2cccc([C@@H]3C[NH2+]CCO3)n2)c1 ZINC000257262593 190022126 /nfs/dbraw/zinc/02/21/26/190022126.db2.gz LMALGZSDGQKNON-HNNXBMFYSA-N 1 0 283.331 1.508 40 0 CDABRO CS(=O)(=O)[C@H]1[C@H]([NH3+])[C@@H]1c1ccc(Br)cc1 ZINC000218197743 375804999 /nfs/dbraw/zinc/80/49/99/375804999.db2.gz BCAYKDOSAQCOBW-IVZWLZJFSA-N 1 0 290.182 1.287 40 0 CDABRO [NH3+]CCc1nc(NC2CC2)ncc1C(=O)Nc1ccccc1 ZINC000257287619 190026940 /nfs/dbraw/zinc/02/69/40/190026940.db2.gz PQSXKEWBEIEWCE-UHFFFAOYSA-N 1 0 297.362 1.804 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257298217 190029456 /nfs/dbraw/zinc/02/94/56/190029456.db2.gz RKRDSYRNYFEVNQ-CQSZACIVSA-N 1 0 290.411 1.908 40 0 CDABRO O=C(C[NH+]1CCCC1)NCc1ccnc([C@@H]2CCCO2)n1 ZINC000257303970 190030598 /nfs/dbraw/zinc/03/05/98/190030598.db2.gz SJNOVYFHBSNWMY-ZDUSSCGKSA-N 1 0 290.367 1.040 40 0 CDABRO O=C(NCC(F)F)c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000257328822 190035214 /nfs/dbraw/zinc/03/52/14/190035214.db2.gz XHFXCPLZPXTKJG-QMMMGPOBSA-N 1 0 255.268 1.501 40 0 CDABRO CN1CCN(C(=O)C2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000257341499 190037351 /nfs/dbraw/zinc/03/73/51/190037351.db2.gz ZKORSGZQGFXWTD-MRXNPFEDSA-N 1 0 287.407 1.501 40 0 CDABRO Cc1noc(C)c1CN1CC[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC000063527144 378303811 /nfs/dbraw/zinc/30/38/11/378303811.db2.gz NQUOQZQZIHOLRM-DFBGVHRSSA-N 1 0 293.411 1.426 40 0 CDABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2 ZINC000000056445 169520256 /nfs/dbraw/zinc/52/02/56/169520256.db2.gz ZTVIKZXZYLEVOL-IXXDHKBRSA-N 1 0 275.348 1.888 40 0 in-vitro CDABRO [NH3+]C[C@@H](O)COCc1cc(F)ccc1Br ZINC000095096231 184943791 /nfs/dbraw/zinc/94/37/91/184943791.db2.gz GWNKWOVTPOXAKF-SECBINFHSA-N 1 0 278.121 1.424 40 0 CDABRO CC(C)OC(=O)[C@H]1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000096510352 390530493 /nfs/dbraw/zinc/53/04/93/390530493.db2.gz OYZYEXJAVIGOIB-MNOVXSKESA-N 1 0 286.372 1.441 40 0 CDABRO C[C@H]([C@@H]([NH3+])c1ccc(Br)cc1)S(C)(=O)=O ZINC000096524766 390540016 /nfs/dbraw/zinc/54/00/16/390540016.db2.gz PHUSHTWAGLAZOI-GMSGAONNSA-N 1 0 292.198 1.882 40 0 CDABRO COc1ccccc1CN1CC2(CC[NH2+]CC2)OCC1=O ZINC000096531521 390541959 /nfs/dbraw/zinc/54/19/59/390541959.db2.gz IGJWJVKTFKHLPI-UHFFFAOYSA-N 1 0 290.363 1.176 40 0 CDABRO [NH3+][C@@H](c1ccccc1)c1ccc(N2CCN(C=O)CC2)nc1 ZINC000072225598 390625928 /nfs/dbraw/zinc/62/59/28/390625928.db2.gz VDGRHSHRYBZJCC-KRWDZBQOSA-N 1 0 296.374 1.408 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1c(F)cccc1F ZINC000072397606 390628065 /nfs/dbraw/zinc/62/80/65/390628065.db2.gz YBWGFWOFSBBTQN-QJPTWQEYSA-N 1 0 282.334 1.604 40 0 CDABRO CC(C)S(=O)(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000096157173 390913331 /nfs/dbraw/zinc/91/33/31/390913331.db2.gz KZCCEBPIODHWBU-LBPRGKRZSA-N 1 0 260.403 1.190 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2ccco2)N1 ZINC000022225441 391035422 /nfs/dbraw/zinc/03/54/22/391035422.db2.gz YNNNYQPWWKKOII-NSHDSACASA-N 1 0 281.275 1.277 40 0 CDABRO CNC(=O)CN1CCC([NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133985162 391936655 /nfs/dbraw/zinc/93/66/55/391936655.db2.gz AJZMCTUYPDVKIO-GDBMZVCRSA-N 1 0 293.455 1.779 40 0 CDABRO [NH3+]CCCOc1ccc2nc3n(c(=O)c2c1)CCCC3 ZINC000218787843 130770052 /nfs/dbraw/zinc/77/00/52/130770052.db2.gz VYVWEUPGWDMIPO-UHFFFAOYSA-N 1 0 273.336 1.460 40 0 CDABRO CCOc1cc(N2CCC[C@H]([NH3+])C2)nc(SC)n1 ZINC000083321058 135017065 /nfs/dbraw/zinc/01/70/65/135017065.db2.gz MJIHGDHGHOEZQM-VIFPVBQESA-N 1 0 268.386 1.525 40 0 CDABRO COc1cc(N2CCC[C@@]3(CCC[N@@H+]3C)C2)ncn1 ZINC000096071414 398069548 /nfs/dbraw/zinc/06/95/48/398069548.db2.gz AHIUNQXCOXSXNI-AWEZNQCLSA-N 1 0 262.357 1.550 40 0 CDABRO CCCC[C@@]1(C(=O)OCC)C[C@H](SC(N)=[NH2+])OC1=O ZINC000004867217 170033533 /nfs/dbraw/zinc/03/35/33/170033533.db2.gz VQUJWEPUDFTPCU-UFBFGSQYSA-N 1 0 288.369 1.626 40 0 CDABRO CC[NH+](CC)CCCN[C@@H](C)C(=O)N1CCCC1 ZINC000004969462 170046925 /nfs/dbraw/zinc/04/69/25/170046925.db2.gz XOZMLCMCGJMAGB-ZDUSSCGKSA-N 1 0 255.406 1.319 40 0 CDABRO Nc1cc(NC(=O)C[NH+]2CCCC2)ccc1Cl ZINC000008732429 170351465 /nfs/dbraw/zinc/35/14/65/170351465.db2.gz WWTGPVLBMGNSJW-UHFFFAOYSA-N 1 0 253.733 1.957 40 0 CDABRO CCOc1cccc(CNCC[NH2+]C[C@H](C)O)c1 ZINC000022075984 171352314 /nfs/dbraw/zinc/35/23/14/171352314.db2.gz ZPYPXUZASQNTFV-LBPRGKRZSA-N 1 0 252.358 1.145 40 0 CDABRO COc1ccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000022165636 171365772 /nfs/dbraw/zinc/36/57/72/171365772.db2.gz HUYPIKDZTWEIMM-HUBLWGQQSA-N 1 0 294.395 1.813 40 0 CDABRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCC2)nn1C ZINC000072265403 176352207 /nfs/dbraw/zinc/35/22/07/176352207.db2.gz WHSBFNGAQDMRNX-UHFFFAOYSA-N 1 0 264.373 1.333 40 0 CDABRO CNC(=O)[C@]1(CCCc2ccccn2)CCCC[NH2+]1 ZINC000072343779 176372089 /nfs/dbraw/zinc/37/20/89/176372089.db2.gz TWRCFWJEDHNZLI-OAHLLOKOSA-N 1 0 261.369 1.663 40 0 CDABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2CCO)n1 ZINC000072355673 176374845 /nfs/dbraw/zinc/37/48/45/176374845.db2.gz JZGYFRDFGQTCKH-CQSZACIVSA-N 1 0 286.379 1.959 40 0 CDABRO CNC(=O)c1cccc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072355749 176375059 /nfs/dbraw/zinc/37/50/59/176375059.db2.gz NEENHGMLKXTOCK-OAHLLOKOSA-N 1 0 289.379 1.757 40 0 CDABRO Cc1nc(CCC(=O)N(C)C)cc([C@@H]2CCCC[NH2+]2)n1 ZINC000072363384 176377670 /nfs/dbraw/zinc/37/76/70/176377670.db2.gz XFTSWFSLTUUPIN-ZDUSSCGKSA-N 1 0 276.384 1.620 40 0 CDABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccncc3)C2)cc(=O)[nH]1 ZINC000072363786 176378091 /nfs/dbraw/zinc/37/80/91/176378091.db2.gz OVIHZZWBZGSGGM-AWEZNQCLSA-N 1 0 284.363 1.853 40 0 CDABRO C[NH+]1CCC(Cc2cnc(Nc3ncccn3)cn2)CC1 ZINC000072363440 176378120 /nfs/dbraw/zinc/37/81/20/176378120.db2.gz TZPFNNKZYHKXBG-UHFFFAOYSA-N 1 0 284.367 1.895 40 0 CDABRO Cc1nonc1CNc1cnc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000072365453 176380685 /nfs/dbraw/zinc/38/06/85/176380685.db2.gz OJUYSGPGNQGWHN-NSHDSACASA-N 1 0 288.355 1.322 40 0 CDABRO C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377390 176385516 /nfs/dbraw/zinc/38/55/16/176385516.db2.gz BJXLFBSGAAWKEA-GFCCVEGCSA-N 1 0 256.313 1.777 40 0 CDABRO O=C(c1ccnc(C2CC[NH2+]CC2)c1)N1CCCC1 ZINC000072387009 176392523 /nfs/dbraw/zinc/39/25/23/176392523.db2.gz DPVBSUGXKBFBTQ-UHFFFAOYSA-N 1 0 259.353 1.785 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(F)c1 ZINC000072397633 176394874 /nfs/dbraw/zinc/39/48/74/176394874.db2.gz JGYRAOGEWYUKGQ-BYCMXARLSA-N 1 0 264.344 1.465 40 0 CDABRO CCO[C@H]1C[N@H+](Cc2cccnc2)[C@@H]2CCCO[C@@H]21 ZINC000096057438 276360073 /nfs/dbraw/zinc/36/00/73/276360073.db2.gz DETGGVGGLORBIN-ILXRZTDVSA-N 1 0 262.353 1.850 40 0 CDABRO CO[C@H]1Cn2nccc2C[N@H+](CC2CCOCC2)C1 ZINC000247819568 277354009 /nfs/dbraw/zinc/35/40/09/277354009.db2.gz COVFQHDZPJTKEP-CQSZACIVSA-N 1 0 265.357 1.140 40 0 CDABRO CN(C(=O)C[NH3+])[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079390844 288801166 /nfs/dbraw/zinc/80/11/66/288801166.db2.gz LADUAHKPGKUSMG-GHMZBOCLSA-N 1 0 285.388 1.239 40 0 CDABRO COC(=O)[C@H]1C[NH2+][C@@H]2Cc3cccc(OC)c3C[C@H]2C1 ZINC000201651203 1161452970 /nfs/dbraw/zinc/45/29/70/1161452970.db2.gz ZBWWOTROKLWPOH-YRGRVCCFSA-N 1 0 275.348 1.561 40 0 CDABRO Nc1ccc(-c2n[nH]c(CC[NH+]3CCCC3)n2)cc1 ZINC000062719479 527465092 /nfs/dbraw/zinc/46/50/92/527465092.db2.gz FPJQTEIQHGOWHN-UHFFFAOYSA-N 1 0 257.341 1.692 40 0 CDABRO Cc1cccc2nc(N3CC[C@@](O)(C[NH+](C)C)C3)oc21 ZINC001548452856 967502743 /nfs/dbraw/zinc/50/27/43/967502743.db2.gz AFBOGPXCKRLQPS-OAHLLOKOSA-N 1 0 275.352 1.639 40 0 CDABRO [NH2+]=C1CCCN1CC(=O)c1ccc2c(c1)OCCO2 ZINC000004069944 230368358 /nfs/dbraw/zinc/36/83/58/230368358.db2.gz WGSAKULXRYRVOU-UHFFFAOYSA-N 1 0 260.293 1.714 40 0 CDABRO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)[N@H+](C)C1CC1 ZINC000069701838 342008401 /nfs/dbraw/zinc/00/84/01/342008401.db2.gz JJGRTHAJTSSIIL-JTQLQIEISA-N 1 0 274.368 1.567 40 0 CDABRO O=S(=O)(C1CC1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096049308 185073053 /nfs/dbraw/zinc/07/30/53/185073053.db2.gz KXEJIKSZGXZAMX-UHFFFAOYSA-N 1 0 298.452 1.819 40 0 CDABRO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccncc2)cn1 ZINC000096055744 185076109 /nfs/dbraw/zinc/07/61/09/185076109.db2.gz ZLBBABBUTHGRCP-LSDHHAIUSA-N 1 0 297.362 1.195 40 0 CDABRO CN(C)C(=O)[C@@H]1CCC2(CC[NH+](Cc3ccoc3)CC2)O1 ZINC000096061122 185082211 /nfs/dbraw/zinc/08/22/11/185082211.db2.gz XVZXIRLYPBDFOQ-AWEZNQCLSA-N 1 0 292.379 1.881 40 0 CDABRO O=C(c1ccc[nH]1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096064022 185084654 /nfs/dbraw/zinc/08/46/54/185084654.db2.gz YZWAMEWMLJJMRJ-JKSUJKDBSA-N 1 0 296.374 1.899 40 0 CDABRO COCC[N@@H+]1CC[C@]2(CCN2Cc2csc(C)n2)C1 ZINC000096076024 185089077 /nfs/dbraw/zinc/08/90/77/185089077.db2.gz CAFIRKANMXYOFA-AWEZNQCLSA-N 1 0 281.425 1.748 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@H]1Cn1cc(C[NH3+])nn1 ZINC000080848892 342101920 /nfs/dbraw/zinc/10/19/20/342101920.db2.gz HSXLKFUMMLKRPP-NSHDSACASA-N 1 0 281.360 1.136 40 0 CDABRO COC[C@H]1CN(C(=O)c2ccco2)CC12CC[NH+](C)CC2 ZINC000585102703 342212664 /nfs/dbraw/zinc/21/26/64/342212664.db2.gz BDAJFKZDNJVNNA-CYBMUJFWSA-N 1 0 292.379 1.710 40 0 CDABRO CC1(C)C[C@]2(CCC[N@@H+]2Cc2cc[nH]n2)[C@H](CC(N)=O)O1 ZINC000585290832 342258829 /nfs/dbraw/zinc/25/88/29/342258829.db2.gz HHOQIJTXCRWUMX-SWLSCSKDSA-N 1 0 292.383 1.187 40 0 CDABRO C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)Nc3cccnc3)[C@@H]2C1 ZINC000097953560 529824031 /nfs/dbraw/zinc/82/40/31/529824031.db2.gz PXDXTGMNBDATHP-BZPMIXESSA-N 1 0 275.352 1.234 40 0 CDABRO Fc1cccc(CN2C[C@@H]3C[N@H+]([C@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196260 186162550 /nfs/dbraw/zinc/16/25/50/186162550.db2.gz SDGGTUGKJUYFFV-UXLLHSPISA-N 1 0 290.382 1.978 40 0 CDABRO O=C1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)N1c1cncnc1 ZINC000107251826 186165061 /nfs/dbraw/zinc/16/50/61/186165061.db2.gz GKUJDYHWUXQGSA-ZIAGYGMSSA-N 1 0 284.319 1.449 40 0 CDABRO O=C1NCC[C@@]12CCC[N@H+](Cc1ccncc1)CC2 ZINC000108526768 186221260 /nfs/dbraw/zinc/22/12/60/186221260.db2.gz HBLSKPPHUIOCIS-OAHLLOKOSA-N 1 0 259.353 1.574 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC000004476513 356031331 /nfs/dbraw/zinc/03/13/31/356031331.db2.gz RVGUQPGNMZYGQO-CYBMUJFWSA-N 1 0 275.352 1.226 40 0 CDABRO CCOC(=O)[C@@H]1[C@H](C(=O)OCC)[C@@H]([NH+](C)C)C1(C)C ZINC000005340736 356052194 /nfs/dbraw/zinc/05/21/94/356052194.db2.gz WZCOQWVIQBLQKQ-GARJFASQSA-N 1 0 271.357 1.315 40 0 CDABRO COc1cc(C)c(S(=O)(=O)NCC[NH+](C)C)cc1C ZINC000074921841 538433107 /nfs/dbraw/zinc/43/31/07/538433107.db2.gz VAGZALJQBGXXIU-UHFFFAOYSA-N 1 0 286.397 1.152 40 0 CDABRO [NH3+]CCN1CCN(c2ccc(Br)cc2)CC1 ZINC000022462315 356612706 /nfs/dbraw/zinc/61/27/06/356612706.db2.gz IVYCDABPAPCTDJ-UHFFFAOYSA-N 1 0 284.201 1.530 40 0 CDABRO COc1ccc(CN(C)C(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000037797821 356932585 /nfs/dbraw/zinc/93/25/85/356932585.db2.gz IIVWSYILHPZTKO-ZDUSSCGKSA-N 1 0 250.342 1.637 40 0 CDABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391278 356988379 /nfs/dbraw/zinc/98/83/79/356988379.db2.gz DNZUMHRVRWWGMX-NWDGAFQWSA-N 1 0 299.415 1.580 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000079409977 356992282 /nfs/dbraw/zinc/99/22/82/356992282.db2.gz OAFVRMHLHJWKMK-RYUDHWBXSA-N 1 0 299.415 1.485 40 0 CDABRO C[C@H]([NH3+])C(=O)NC1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000079409621 356992762 /nfs/dbraw/zinc/99/27/62/356992762.db2.gz HSYISULWWCUMBI-UNXYVOJBSA-N 1 0 299.415 1.628 40 0 CDABRO CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(CCO)C1 ZINC000079414202 356993478 /nfs/dbraw/zinc/99/34/78/356993478.db2.gz JUHQOVHXDNEWLX-MRXNPFEDSA-N 1 0 262.397 1.965 40 0 CDABRO COCCn1nc(C)c(C[NH2+]C[C@H]2CCC=CO2)c1C ZINC000225582819 357240900 /nfs/dbraw/zinc/24/09/00/357240900.db2.gz PUBWRSUWLWYIQC-CQSZACIVSA-N 1 0 279.384 1.929 40 0 CDABRO CCN1c2ccc(F)cc2C(=O)N[C@@]12CCC[NH2+]C2 ZINC000096516605 357522238 /nfs/dbraw/zinc/52/22/38/357522238.db2.gz VWOMRGYRLLQQER-AWEZNQCLSA-N 1 0 263.316 1.475 40 0 CDABRO CCOC[C@H]1C[N@H+](C)C2(CN(c3ncccn3)C2)C1 ZINC000585093868 358098547 /nfs/dbraw/zinc/09/85/47/358098547.db2.gz LRKUUONCUUWRLR-GFCCVEGCSA-N 1 0 262.357 1.024 40 0 CDABRO CCC[N@@H+]1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC000096185071 358714269 /nfs/dbraw/zinc/71/42/69/358714269.db2.gz SUZHOIIAKYAFGJ-ZNMIVQPWSA-N 1 0 262.353 1.707 40 0 CDABRO O=C1NCC[C@]12C[N@@H+]([C@@H]1CCOC1)C[C@H]2c1ccccc1 ZINC000096201831 358719072 /nfs/dbraw/zinc/71/90/72/358719072.db2.gz QTUYVLIFLQQWCB-HLLBOEOZSA-N 1 0 286.375 1.381 40 0 CDABRO Cc1cc(CN2C[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)no1 ZINC000096208979 358720017 /nfs/dbraw/zinc/72/00/17/358720017.db2.gz PFCXEBSJIACACP-GOEBONIOSA-N 1 0 291.395 1.526 40 0 CDABRO O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NCCc1cccs1 ZINC000096206493 358720166 /nfs/dbraw/zinc/72/01/66/358720166.db2.gz QRVVJSPAPISVEX-BNOWGMLFSA-N 1 0 294.420 1.421 40 0 CDABRO CCOC[C@H]1Cn2cncc2C[N@H+](CC2CCOCC2)C1 ZINC000096208217 358720354 /nfs/dbraw/zinc/72/03/54/358720354.db2.gz CGIZLXXSJIZWNR-OAHLLOKOSA-N 1 0 293.411 1.778 40 0 CDABRO C[C@@H](O)C[NH+]1CCC2(C[C@@H](c3cccnc3)CO2)CC1 ZINC000096220307 358723117 /nfs/dbraw/zinc/72/31/17/358723117.db2.gz FCZYMEQHPFLEHZ-UKRRQHHQSA-N 1 0 276.380 1.801 40 0 CDABRO c1ccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)nc1 ZINC000096229368 358723843 /nfs/dbraw/zinc/72/38/43/358723843.db2.gz HBWBTQHTDHZYKX-HNNXBMFYSA-N 1 0 261.369 1.284 40 0 CDABRO CCN1C(=O)CCC12CC[NH+]([C@H]1CCOC1)CC2 ZINC000096228021 358724038 /nfs/dbraw/zinc/72/40/38/358724038.db2.gz WWFSFZOFKHRMGT-LBPRGKRZSA-N 1 0 252.358 1.252 40 0 CDABRO O=C(c1ccco1)N1C[C@@H]2[C@H](C1)OCCN2CC1CC1 ZINC000096246458 358725395 /nfs/dbraw/zinc/72/53/95/358725395.db2.gz IRTJKHADKZMEHH-OCCSQVGLSA-N 1 0 276.336 1.215 40 0 CDABRO CCS(=O)(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000096245392 358725725 /nfs/dbraw/zinc/72/57/25/358725725.db2.gz DYIFVZMJMVTUJL-GJZGRUSLSA-N 1 0 294.420 1.400 40 0 CDABRO CC(C)C[N@@H+]1C[C@H]2C[C@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000096253052 358727328 /nfs/dbraw/zinc/72/73/28/358727328.db2.gz CQTNEZZWMZWGRU-HZSPNIEDSA-N 1 0 266.385 1.258 40 0 CDABRO C(c1nnn2c1C[N@H+](CC1CC1)CCC2)N1CCCC1 ZINC000096259482 358729039 /nfs/dbraw/zinc/72/90/39/358729039.db2.gz VVRPHLKUVJLOIQ-UHFFFAOYSA-N 1 0 275.400 1.490 40 0 CDABRO CC(C)Nc1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2 ZINC000096260443 358729554 /nfs/dbraw/zinc/72/95/54/358729554.db2.gz GBQIDQGGLUQDSQ-UHFFFAOYSA-N 1 0 276.384 1.292 40 0 CDABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2[C@@H]2CCOC2)N1c1ccsc1 ZINC000107198678 359016920 /nfs/dbraw/zinc/01/69/20/359016920.db2.gz GAKZXYNNJCUPDS-RTXFEEFZSA-N 1 0 278.377 1.717 40 0 CDABRO CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C1 ZINC000514289241 360125443 /nfs/dbraw/zinc/12/54/43/360125443.db2.gz KCHOENFMINYOEQ-HZPDHXFCSA-N 1 0 293.455 1.000 40 0 biogenic,in-vitro CDABRO CC(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000242495958 364519668 /nfs/dbraw/zinc/51/96/68/364519668.db2.gz GUXKDOBCLBMDOV-YDHLFZDLSA-N 1 0 295.427 1.408 40 0 CDABRO Cc1c(I)cc[nH+]c1N(C)N ZINC000199545187 369135149 /nfs/dbraw/zinc/13/51/49/369135149.db2.gz ZCOXDCRGQIVXQH-UHFFFAOYSA-N 1 0 263.082 1.305 40 0 CDABRO COCCNC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069376540 369573997 /nfs/dbraw/zinc/57/39/97/369573997.db2.gz VUWGDEJFBMFHOA-CYBMUJFWSA-N 1 0 283.416 1.729 40 0 CDABRO CCOc1cc(O[C@H]2CCC[NH2+]C2)nc(SC)n1 ZINC000079439749 374405658 /nfs/dbraw/zinc/40/56/58/374405658.db2.gz XCKSPPGNKTYTDH-VIFPVBQESA-N 1 0 269.370 1.728 40 0 CDABRO Cc1ccc(F)cc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000225467340 374467000 /nfs/dbraw/zinc/46/70/00/374467000.db2.gz QGNSVTPXRHSHGO-CYBMUJFWSA-N 1 0 266.360 1.633 40 0 CDABRO CC[C@]1(C)CN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CCO1 ZINC000225503977 374581892 /nfs/dbraw/zinc/58/18/92/374581892.db2.gz UHLHHHMWKJLOOF-VNHYZAJKSA-N 1 0 283.416 1.680 40 0 CDABRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCCCn1ccnc1 ZINC000079351810 374795189 /nfs/dbraw/zinc/79/51/89/374795189.db2.gz CATMOQWUUWEMTL-AWEZNQCLSA-N 1 0 278.400 1.654 40 0 CDABRO CNc1cc(C)[nH+]c([C@H]2CCN(S(=O)(=O)C(C)C)C2)c1 ZINC000257204620 190011521 /nfs/dbraw/zinc/01/15/21/190011521.db2.gz AVOGDBKFWIQGMI-LBPRGKRZSA-N 1 0 297.424 1.959 40 0 CDABRO CNC(=O)CCc1cc(C2CC[NH+](C)CC2)nc(C)n1 ZINC000257229488 190016356 /nfs/dbraw/zinc/01/63/56/190016356.db2.gz FYHPXADKFRUAQY-UHFFFAOYSA-N 1 0 276.384 1.273 40 0 CDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000217670739 375701040 /nfs/dbraw/zinc/70/10/40/375701040.db2.gz VLUQFGBQDHELRD-NEPJUHHUSA-N 1 0 279.336 1.522 40 0 CDABRO CCOC(=O)CCc1cc(C)nc([C@H]2CCC[NH2+]C2)n1 ZINC000257223021 190014761 /nfs/dbraw/zinc/01/47/61/190014761.db2.gz DVNRRXVRSYHTNG-LBPRGKRZSA-N 1 0 277.368 1.748 40 0 CDABRO CO[C@H]1C[N@H+](Cc2cccnc2)CC[C@@]12CCCO2 ZINC000257223740 190015027 /nfs/dbraw/zinc/01/50/27/190015027.db2.gz DYQLKWPWEPWQMD-GJZGRUSLSA-N 1 0 262.353 1.852 40 0 CDABRO Cc1ccnc([C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000257247213 190019018 /nfs/dbraw/zinc/01/90/18/190019018.db2.gz IXYORPGSABNNKH-ZDUSSCGKSA-N 1 0 260.385 1.669 40 0 CDABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cccc(=O)[nH]1 ZINC000257272189 190023899 /nfs/dbraw/zinc/02/38/99/190023899.db2.gz NBJONOSAFZMOEN-BBRMVZONSA-N 1 0 289.379 1.876 40 0 CDABRO CNc1cc(C)[nH+]c([C@H]2CCN(S(=O)(=O)N(C)C)C2)c1 ZINC000257259020 190021945 /nfs/dbraw/zinc/02/19/45/190021945.db2.gz KWLSLGCOSRXXOX-NSHDSACASA-N 1 0 298.412 1.027 40 0 CDABRO CN(C)c1ncc(CN2CC[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000257285264 190026960 /nfs/dbraw/zinc/02/69/60/190026960.db2.gz PGINAUOGNGNXHE-INIZCTEOSA-N 1 0 297.406 1.689 40 0 CDABRO [NH3+]C1CCN(c2cccc(Br)n2)CC1 ZINC000031415061 375791012 /nfs/dbraw/zinc/79/10/12/375791012.db2.gz QGIXHPDIJWYJAV-UHFFFAOYSA-N 1 0 256.147 1.772 40 0 CDABRO Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2c2ncccn2)n1 ZINC000257301532 190030572 /nfs/dbraw/zinc/03/05/72/190030572.db2.gz RYWMTUFHPWYOEG-AWEZNQCLSA-N 1 0 298.394 1.978 40 0 CDABRO Cc1c[nH]c([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000257311303 190032219 /nfs/dbraw/zinc/03/22/19/190032219.db2.gz UIVUZHWNGHPJDF-ZDUSSCGKSA-N 1 0 276.384 1.520 40 0 CDABRO Cc1cc(-c2cncc(C[C@H]3CC[N@@H+](C)C3)n2)n[nH]1 ZINC000257343546 190037781 /nfs/dbraw/zinc/03/77/81/190037781.db2.gz ZTLCUEQNSHJCRL-LLVKDONJSA-N 1 0 257.341 1.669 40 0 CDABRO CN(C)c1ncc2c(cc(C3CC[NH2+]CC3)[nH]c2=O)n1 ZINC000019585774 390228350 /nfs/dbraw/zinc/22/83/50/390228350.db2.gz LPNUYJXNOAMLQZ-UHFFFAOYSA-N 1 0 273.340 1.263 40 0 CDABRO Fc1ccc(CN2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000096531562 390541628 /nfs/dbraw/zinc/54/16/28/390541628.db2.gz HKTVYWWASSUVBY-UHFFFAOYSA-N 1 0 264.344 1.780 40 0 CDABRO CCOC(=O)[C@@H](CN)C1([NH+]2CCCC2)CCCC1 ZINC000072210398 390618512 /nfs/dbraw/zinc/61/85/12/390618512.db2.gz WCHPXRHHCRGIJX-GFCCVEGCSA-N 1 0 254.374 1.533 40 0 CDABRO CC(C)S(=O)(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000096157174 390913326 /nfs/dbraw/zinc/91/33/26/390913326.db2.gz KZCCEBPIODHWBU-GFCCVEGCSA-N 1 0 260.403 1.190 40 0 CDABRO Cc1ccc(C(=O)N2CCC3(C[C@H]([NH3+])CO3)CC2)cc1 ZINC000096157244 390913338 /nfs/dbraw/zinc/91/33/38/390913338.db2.gz GWGKIFOPOZUEJM-AWEZNQCLSA-N 1 0 274.364 1.717 40 0 CDABRO CN(C)C(=O)CO[C@@H]1CSC2(C[NH+](C3CCC3)C2)C1 ZINC000247958933 391423781 /nfs/dbraw/zinc/42/37/81/391423781.db2.gz DSKBHIVONLTNGO-LBPRGKRZSA-N 1 0 284.425 1.204 40 0 CDABRO CCOC[C@@H]1CCOC12C[NH+](C1CCOCC1)C2 ZINC000253382458 391625121 /nfs/dbraw/zinc/62/51/21/391625121.db2.gz IGNDOWFNGNDRID-LBPRGKRZSA-N 1 0 255.358 1.293 40 0 CDABRO Cn1cc(C[N@H+](C)[C@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257246595 397607452 /nfs/dbraw/zinc/60/74/52/397607452.db2.gz IUVGRWAQAXDCHE-HNNXBMFYSA-N 1 0 285.395 1.916 40 0 CDABRO CC1(C)O[C@@]2(C)CC[C@@H]1[C@@H](O)[C@H]2[NH+]1CCOCC1 ZINC000005459436 170101403 /nfs/dbraw/zinc/10/14/03/170101403.db2.gz KVVRWJSJKXCRTD-BYNQJWBRSA-N 1 0 255.358 1.026 40 0 CDABRO C[NH+](C)CCCNC(=O)/C=C/c1ccc(F)cc1 ZINC000006125807 170178005 /nfs/dbraw/zinc/17/80/05/170178005.db2.gz ARZKHBADFZDASG-RMKNXTFCSA-N 1 0 250.317 1.907 40 0 CDABRO COc1ccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000022173815 171369527 /nfs/dbraw/zinc/36/95/27/171369527.db2.gz SVLWYWYUBOCXDQ-OBJOEFQTSA-N 1 0 294.395 1.813 40 0 CDABRO CC[N@@H+]1CCC[C@](O)(CN(C)Cc2c(C)nn(C)c2C)C1 ZINC000046087874 175392516 /nfs/dbraw/zinc/39/25/16/175392516.db2.gz BJBNWJZNRGVTBX-INIZCTEOSA-N 1 0 294.443 1.316 40 0 CDABRO Brc1cccc(OC[C@@H]2C[NH2+]CCO2)c1 ZINC000070834078 176008029 /nfs/dbraw/zinc/00/80/29/176008029.db2.gz ZVPPKBXSJDZKGC-NSHDSACASA-N 1 0 272.142 1.816 40 0 CDABRO CN(C)C(=O)[C@@]1(CCCc2cnccn2)CCCC[NH2+]1 ZINC000072344232 176372646 /nfs/dbraw/zinc/37/26/46/176372646.db2.gz UNPASLHBPRFVQD-HNNXBMFYSA-N 1 0 276.384 1.400 40 0 CDABRO Cc1nccn1-c1cccc(C2CC[NH+](CC(N)=O)CC2)n1 ZINC000072355722 176375239 /nfs/dbraw/zinc/37/52/39/176375239.db2.gz MFAIIBWXDIJZOC-UHFFFAOYSA-N 1 0 299.378 1.240 40 0 CDABRO CCc1nc(-c2cncnc2[C@@H]2CCC[NH2+]C2)no1 ZINC000072354417 176375262 /nfs/dbraw/zinc/37/52/62/176375262.db2.gz XUQFEQMUSFTDFW-SECBINFHSA-N 1 0 259.313 1.556 40 0 CDABRO COCCNC(=O)CCc1cccc([C@H]2CCC[N@@H+]2C)n1 ZINC000072360555 176377017 /nfs/dbraw/zinc/37/70/17/176377017.db2.gz DEWQURJDDMYYPT-OAHLLOKOSA-N 1 0 291.395 1.544 40 0 CDABRO CC(=O)c1nnn(-c2ccc(F)cc2)c1NCC[NH+](C)C ZINC000072397511 176394689 /nfs/dbraw/zinc/39/46/89/176394689.db2.gz VERCYVMQQQUQPS-UHFFFAOYSA-N 1 0 291.330 1.583 40 0 CDABRO Cc1ccc(C(=O)N2CCO[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000096157242 260563963 /nfs/dbraw/zinc/56/39/63/260563963.db2.gz BYJLEBHFGNDQHH-INIZCTEOSA-N 1 0 274.364 1.590 40 0 CDABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](CC1CCOCC1)C2 ZINC000096056771 277256747 /nfs/dbraw/zinc/25/67/47/277256747.db2.gz VHQFVCVHLZKTKM-CVEARBPZSA-N 1 0 283.412 1.931 40 0 CDABRO COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000000001213 295278538 /nfs/dbraw/zinc/27/85/38/295278538.db2.gz OROGSEYTTFOCAN-WYEVINAZSA-N 1 0 299.370 1.501 40 0 in-vitro CDABRO Cc1nccnc1C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000257278054 327131048 /nfs/dbraw/zinc/13/10/48/327131048.db2.gz OAORJUDBMSEYGZ-KGLIPLIRSA-N 1 0 261.369 1.878 40 0 CDABRO COc1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cc1OC ZINC000064875548 523195833 /nfs/dbraw/zinc/19/58/33/523195833.db2.gz WGIHNVXQUZAEQC-UHFFFAOYSA-N 1 0 288.351 1.956 40 0 CDABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](O)Cc1ccccc1)C2 ZINC000100617969 1174638519 /nfs/dbraw/zinc/63/85/19/1174638519.db2.gz FNRXUEYLFZLOEZ-FXUDXRNXSA-N 1 0 289.375 1.758 40 0 in-vitro CDABRO CN1CC[N@H+](CC2CCC3(CC3)CC2)C[C@H]1CO ZINC000931397944 933554119 /nfs/dbraw/zinc/55/41/19/933554119.db2.gz CLMPFUVNKUQXBM-AWEZNQCLSA-N 1 0 252.402 1.565 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001548447973 969376937 /nfs/dbraw/zinc/37/69/37/969376937.db2.gz AHFLTGLJBDZNJA-IWSPIJDZSA-N 1 0 288.800 1.608 40 0 CDABRO [NH3+]CCCCCC(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000616580966 398197056 /nfs/dbraw/zinc/19/70/56/398197056.db2.gz HKVUMHDCFBCKJQ-UHFFFAOYSA-N 1 0 293.319 1.660 40 0 CDABRO O=C(c1cccnc1)N1CCC2(C[NH+](CC3CC3)C2)C1 ZINC000096046472 185071736 /nfs/dbraw/zinc/07/17/36/185071736.db2.gz AWPCYHUDZHIDFV-UHFFFAOYSA-N 1 0 271.364 1.640 40 0 CDABRO C[N@@H+]1CCC[C@@]2(CN(Cc3nccs3)CCO2)C1 ZINC000096049064 185072262 /nfs/dbraw/zinc/07/22/62/185072262.db2.gz XLVHOLYAMPSFAF-ZDUSSCGKSA-N 1 0 267.398 1.440 40 0 CDABRO COCCN1CC[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1=O ZINC000096054612 185076007 /nfs/dbraw/zinc/07/60/07/185076007.db2.gz CCAUVGHBFNQEQW-KBPBESRZSA-N 1 0 294.420 1.675 40 0 CDABRO c1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1 ZINC000096073783 185088670 /nfs/dbraw/zinc/08/86/70/185088670.db2.gz HDRKVDSHMOWRFE-HOCLYGCPSA-N 1 0 288.395 1.922 40 0 CDABRO COCC[N@@H+]1CC[C@]12CCN(C(=O)Cc1ccccc1)C2 ZINC000096075958 185090140 /nfs/dbraw/zinc/09/01/40/185090140.db2.gz YCWBRGAEMFUIOY-KRWDZBQOSA-N 1 0 288.391 1.552 40 0 CDABRO C[NH+]1CCC2(C[C@H](OCc3ccccn3)CO2)CC1 ZINC000096106920 185100065 /nfs/dbraw/zinc/10/00/65/185100065.db2.gz ISJGITCNANNIFI-AWEZNQCLSA-N 1 0 262.353 1.852 40 0 CDABRO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000585109734 342213161 /nfs/dbraw/zinc/21/31/61/342213161.db2.gz MWTYMSSSEBNBLZ-KCQAQPDRSA-N 1 0 260.337 1.149 40 0 CDABRO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCC[NH2+]C2)n1 ZINC000585178760 342232508 /nfs/dbraw/zinc/23/25/08/342232508.db2.gz IDYBHMLRVALPGP-CQSZACIVSA-N 1 0 262.357 1.128 40 0 CDABRO O[C@H]1CN(Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1F ZINC000585278530 342256964 /nfs/dbraw/zinc/25/69/64/342256964.db2.gz OMJSSQXBZZWYAA-HIFRSBDPSA-N 1 0 289.354 1.974 40 0 CDABRO Cc1cccc(OC[C@@]2(O)C[N@@H+](C3CCC3)CC[C@@H]2O)c1 ZINC000585282657 342258527 /nfs/dbraw/zinc/25/85/27/342258527.db2.gz MFNWNASBMKUCHU-IRXDYDNUSA-N 1 0 291.391 1.724 40 0 CDABRO CN(C)C(=O)OCCN1CCO[C@](C)(c2ccccc2)C1 ZINC000158911588 342448515 /nfs/dbraw/zinc/44/85/15/342448515.db2.gz NEHDMXZKXPCLGZ-INIZCTEOSA-N 1 0 292.379 1.932 40 0 CDABRO CC[N@@H+]1CC[C@H](N(C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212520 344547563 /nfs/dbraw/zinc/54/75/63/344547563.db2.gz BKNBIUSEBXQMSH-OLZOCXBDSA-N 1 0 271.405 1.347 40 0 CDABRO CNc1cncc([C@H]2CCC[N@@H+]2C2CCN(C)CC2)n1 ZINC000257261973 362580737 /nfs/dbraw/zinc/58/07/37/362580737.db2.gz LJMPYJRMTJXMIW-CQSZACIVSA-N 1 0 275.400 1.749 40 0 CDABRO Cc1nc(CN2C(=O)CCC23CC[NH2+]CC3)cs1 ZINC000306136972 201842982 /nfs/dbraw/zinc/84/29/82/201842982.db2.gz QHYPOQFZPCJLIN-UHFFFAOYSA-N 1 0 265.382 1.696 40 0 CDABRO COC[C@@]1(C[NH2+]Cc2ccc(F)cc2)C[C@@H](O)[C@@H](O)C1 ZINC000107283886 186165425 /nfs/dbraw/zinc/16/54/25/186165425.db2.gz OUYPMJJBXPASOV-FICVDOATSA-N 1 0 283.343 1.064 40 0 biogenic,in-vitro CDABRO Cc1ncc(C[N@H+]2CCC3(CC(NC(=O)N(C)C)C3)C2)[nH]1 ZINC000108527596 186221175 /nfs/dbraw/zinc/22/11/75/186221175.db2.gz VBLIKNXCEPXZTK-UHFFFAOYSA-N 1 0 291.399 1.344 40 0 CDABRO CCOC(=O)c1[nH]c(C[NH3+])c(C(=O)OCC)c1C ZINC000001669574 355945920 /nfs/dbraw/zinc/94/59/20/355945920.db2.gz WAFZFOSMSJTCLC-UHFFFAOYSA-N 1 0 254.286 1.135 40 0 CDABRO COc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](CO)C3)cn2)cc1 ZINC000012183002 356290645 /nfs/dbraw/zinc/29/06/45/356290645.db2.gz NZURPCZCYNWCLF-CYBMUJFWSA-N 1 0 299.374 1.966 40 0 CDABRO NC(=O)[C@H]([NH2+][C@H]1CCSC1)c1ccc(F)cc1 ZINC000134879534 356444704 /nfs/dbraw/zinc/44/47/04/356444704.db2.gz HJEZXGPFWAXEPI-WDEREUQCSA-N 1 0 254.330 1.447 40 0 CDABRO c1cncc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019339425 356481288 /nfs/dbraw/zinc/48/12/88/356481288.db2.gz VSDOWXALJROHMY-MRXNPFEDSA-N 1 0 295.390 1.854 40 0 CDABRO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019576548 356492550 /nfs/dbraw/zinc/49/25/50/356492550.db2.gz VOGMPXDJDYANDK-UHFFFAOYSA-N 1 0 261.350 1.698 40 0 CDABRO CC(C)(C)OC(=O)NCCCCN1CC[NH2+]CC1 ZINC000022028337 356598157 /nfs/dbraw/zinc/59/81/57/356598157.db2.gz MGUWFJKBUTXYBW-UHFFFAOYSA-N 1 0 257.378 1.197 40 0 CDABRO COc1ccc(C2=NO[C@@H](C[NH3+])C2)c(OC)c1OC ZINC000070434976 356894282 /nfs/dbraw/zinc/89/42/82/356894282.db2.gz VUFAYAWXNAVWQO-MRVPVSSYSA-N 1 0 266.297 1.164 40 0 CDABRO CN(CC[NH3+])C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390946 356988228 /nfs/dbraw/zinc/98/82/28/356988228.db2.gz VSPOAVKPQJAZCV-HNNXBMFYSA-N 1 0 291.395 1.536 40 0 CDABRO CN(CC[NH3+])[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390942 356988565 /nfs/dbraw/zinc/98/85/65/356988565.db2.gz LUVNRPXKJPTWHS-AWEZNQCLSA-N 1 0 277.368 1.288 40 0 CDABRO [NH3+]CCOC[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390651 356988655 /nfs/dbraw/zinc/98/86/55/356988655.db2.gz OFSZRXCKHLVYBE-AWEZNQCLSA-N 1 0 278.352 1.620 40 0 CDABRO CCN(C(=O)C[NH3+])[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079390879 356988678 /nfs/dbraw/zinc/98/86/78/356988678.db2.gz FOPFLGRUZVXQIR-RYUDHWBXSA-N 1 0 299.415 1.630 40 0 CDABRO OCC[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000079393544 356989641 /nfs/dbraw/zinc/98/96/41/356989641.db2.gz QQLSXSJJYFZYDC-MRXNPFEDSA-N 1 0 274.408 1.965 40 0 CDABRO C[C@]12CCCC[C@]1(O)N(O)C1=C(CCCC1)[N+]2=O ZINC000013738992 357281792 /nfs/dbraw/zinc/28/17/92/357281792.db2.gz RSURCJPOXVTFIU-QWHCGFSZSA-N 1 0 252.314 1.498 40 0 CDABRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccccc2)cc1 ZINC000016480065 357521423 /nfs/dbraw/zinc/52/14/23/357521423.db2.gz KGBDEGOVGMMQDX-UHFFFAOYSA-N 1 0 290.388 1.666 40 0 CDABRO Cc1cccc(CS(=O)(=O)NC2CC[NH+](C)CC2)c1 ZINC000074861079 357929011 /nfs/dbraw/zinc/92/90/11/357929011.db2.gz QMVBVIRASDYSOT-UHFFFAOYSA-N 1 0 282.409 1.509 40 0 CDABRO COC[C@H]1C[N@H+](CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060042 358707448 /nfs/dbraw/zinc/70/74/48/358707448.db2.gz XXMLPTPFYTWZGF-CQSZACIVSA-N 1 0 279.384 1.392 40 0 CDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccccn2)C1 ZINC000096059180 358707568 /nfs/dbraw/zinc/70/75/68/358707568.db2.gz QBHKKWHHZXHFOS-CQSZACIVSA-N 1 0 285.395 1.472 40 0 CDABRO Cn1cccc1C(=O)N1CCC2(C[C@@H]([NH+](C)C)CO2)CC1 ZINC000096158624 358710252 /nfs/dbraw/zinc/71/02/52/358710252.db2.gz URIHDYBSTVEQRF-CYBMUJFWSA-N 1 0 291.395 1.350 40 0 CDABRO O[C@H]1CC[N@H+](C[C@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200467 358718429 /nfs/dbraw/zinc/71/84/29/358718429.db2.gz NDUHCNFVKALBQZ-ILXRZTDVSA-N 1 0 262.353 1.096 40 0 CDABRO O=C1COC2(CC[NH+](Cc3ccc(F)cc3)CC2)CN1 ZINC000096201326 358718611 /nfs/dbraw/zinc/71/86/11/358718611.db2.gz CXXLSXSYHOYHAT-UHFFFAOYSA-N 1 0 278.327 1.307 40 0 CDABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)C1CC=CC1)CC2 ZINC000096208121 358720301 /nfs/dbraw/zinc/72/03/01/358720301.db2.gz OHGRAJYAUAMIJD-OAHLLOKOSA-N 1 0 292.423 1.912 40 0 CDABRO c1cnc(N2CCO[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)cn1 ZINC000096248899 358726843 /nfs/dbraw/zinc/72/68/43/358726843.db2.gz FPULGJRYIPKISU-KGLIPLIRSA-N 1 0 274.368 1.166 40 0 CDABRO O=C(c1ccsc1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC000096249883 358726921 /nfs/dbraw/zinc/72/69/21/358726921.db2.gz AGYGATAQQXZJFA-ZYHUDNBSSA-N 1 0 266.366 1.199 40 0 CDABRO CCc1ncnc2c1CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096255013 358727753 /nfs/dbraw/zinc/72/77/53/358727753.db2.gz CKSIKFRIKKXXMD-UHFFFAOYSA-N 1 0 271.368 1.373 40 0 CDABRO COc1cc(OC)cc([C@H](C[NH3+])N2CCCC2)c1 ZINC000019840858 358999888 /nfs/dbraw/zinc/99/98/88/358999888.db2.gz YWYNUVIYQUMADG-AWEZNQCLSA-N 1 0 250.342 1.799 40 0 CDABRO CO[C@H](C[NH2+][C@H](C(N)=O)c1ccccc1)C(C)C ZINC000073410582 360459731 /nfs/dbraw/zinc/45/97/31/360459731.db2.gz ZGAWJFLUXPHQQZ-OLZOCXBDSA-N 1 0 250.342 1.474 40 0 CDABRO CC1(C)O[C@@H]2[C@@H](CO)[N@@H+](Cc3ccccc3)C[C@@H]2O1 ZINC000096023972 360681241 /nfs/dbraw/zinc/68/12/41/360681241.db2.gz AUVSIAZDYGROKK-HZSPNIEDSA-N 1 0 263.337 1.383 40 0 CDABRO O=C(N[C@@]1(CF)CC[NH2+]C1)OCc1ccccc1 ZINC000199714105 189683675 /nfs/dbraw/zinc/68/36/75/189683675.db2.gz SDOXFJORQOAOFO-CYBMUJFWSA-N 1 0 252.289 1.614 40 0 CDABRO O=C(Nc1ccn(Cc2ccncc2)n1)[C@@H]1CCC[NH2+]1 ZINC000225448528 189751539 /nfs/dbraw/zinc/75/15/39/189751539.db2.gz ZIBBVDIUFIALEV-LBPRGKRZSA-N 1 0 271.324 1.017 40 0 CDABRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(-c2ccccn2)n[nH]1 ZINC000012116533 284124679 /nfs/dbraw/zinc/12/46/79/284124679.db2.gz YZTCBDVMHHFNTC-OAHLLOKOSA-N 1 0 297.362 1.296 40 0 CDABRO CCN(C(C)=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079417995 284263527 /nfs/dbraw/zinc/26/35/27/284263527.db2.gz SYJXTMADJWQXPQ-RDBSUJKOSA-N 1 0 283.416 1.266 40 0 CDABRO [NH3+]C[C@@H]1CCCN1C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000333541566 205423126 /nfs/dbraw/zinc/42/31/26/205423126.db2.gz HZQYQSPOLIVKAG-AVGNSLFASA-N 1 0 251.374 1.555 40 0 CDABRO Cc1nn(C)c(C)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000002781792 373211730 /nfs/dbraw/zinc/21/17/30/373211730.db2.gz VDXFZAMDAIHTAA-UHFFFAOYSA-N 1 0 278.400 1.640 40 0 CDABRO CC[NH+](CC)C[C@H]1CCC2(CN(c3ncccn3)C2)OC1 ZINC000248261105 189946143 /nfs/dbraw/zinc/94/61/43/189946143.db2.gz QPKIWDQPHDZXBA-CQSZACIVSA-N 1 0 290.411 1.804 40 0 CDABRO CCc1ccc(OC[C@@H](O)CN2CCC[NH2+]CC2)cc1 ZINC000064875932 374240237 /nfs/dbraw/zinc/24/02/37/374240237.db2.gz GHEWOHFCZXBHLP-HNNXBMFYSA-N 1 0 278.396 1.284 40 0 CDABRO O=C(Nc1ccn(Cc2ccncc2)n1)[C@H]1CCC[NH2+]1 ZINC000225448561 374410416 /nfs/dbraw/zinc/41/04/16/374410416.db2.gz ZIBBVDIUFIALEV-GFCCVEGCSA-N 1 0 271.324 1.017 40 0 CDABRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1cccc(Cl)c1 ZINC000225477972 374484428 /nfs/dbraw/zinc/48/44/28/374484428.db2.gz RMUKPYWHTWLPPQ-MRVPVSSYSA-N 1 0 262.762 1.308 40 0 CDABRO O=C(NCc1ccc(Cl)cn1)C1CC[NH2+]CC1 ZINC000225485522 374496504 /nfs/dbraw/zinc/49/65/04/374496504.db2.gz OAEKDBIVZCHRBZ-UHFFFAOYSA-N 1 0 253.733 1.351 40 0 CDABRO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCCCC1CCOCC1 ZINC000225500377 374561799 /nfs/dbraw/zinc/56/17/99/374561799.db2.gz FJARHYHWFLLGMB-DZGCQCFKSA-N 1 0 271.401 1.665 40 0 CDABRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000078664088 374710038 /nfs/dbraw/zinc/71/00/38/374710038.db2.gz QGXADEHNRWSRTO-AWEZNQCLSA-N 1 0 294.830 1.951 40 0 CDABRO CCC[N@@H+]1C[C@@H]2[C@H](C1)N(CC1CC1)C(=O)c1cccn12 ZINC000306141443 374972011 /nfs/dbraw/zinc/97/20/11/374972011.db2.gz VWKUIKSVVUPRLY-CABCVRRESA-N 1 0 273.380 1.989 40 0 CDABRO C[C@@H]1CC[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC000225547792 375162506 /nfs/dbraw/zinc/16/25/06/375162506.db2.gz YKKISIMIPRCSNO-BDAKNGLRSA-N 1 0 273.270 1.606 40 0 CDABRO CCn1cc(C[NH2+]CCCN2CCOCC2)c(C)n1 ZINC000256054463 190005527 /nfs/dbraw/zinc/00/55/27/190005527.db2.gz WJTPJFXYZWOINB-UHFFFAOYSA-N 1 0 266.389 1.023 40 0 CDABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cnco1)C2 ZINC000257206201 190011345 /nfs/dbraw/zinc/01/13/45/190011345.db2.gz BCHRBAQGFYBMFN-DNVSUFBTSA-N 1 0 275.352 1.762 40 0 CDABRO Cc1cncnc1C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000257204064 190011898 /nfs/dbraw/zinc/01/18/98/190011898.db2.gz ASXSNXQWBBHYLS-UHFFFAOYSA-N 1 0 291.395 1.506 40 0 CDABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3ccccn3)CCO2)[nH+]1 ZINC000257220141 190014642 /nfs/dbraw/zinc/01/46/42/190014642.db2.gz DJSHNKUBDKCDIH-OAHLLOKOSA-N 1 0 298.346 1.581 40 0 CDABRO Cc1nc(C[C@H]2CCC[N@H+](C)C2)cc(C(=O)N(C)C)n1 ZINC000257236999 190017439 /nfs/dbraw/zinc/01/74/39/190017439.db2.gz HETYUPFYTAFZKH-GFCCVEGCSA-N 1 0 276.384 1.371 40 0 CDABRO CNC(=O)[C@@H]1CN(C)CC[N@H+](CCCc2ccccc2)C1 ZINC000257241326 190018450 /nfs/dbraw/zinc/01/84/50/190018450.db2.gz HXQQXIBNEZRRTI-MRXNPFEDSA-N 1 0 289.423 1.229 40 0 CDABRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](n3ccnc3)CC2)n1 ZINC000257246593 190019024 /nfs/dbraw/zinc/01/90/24/190019024.db2.gz IUVBDXHYINYIFV-HOTGVXAUSA-N 1 0 286.379 1.785 40 0 CDABRO COc1ccccc1NC(=O)[C@H]1C[NH2+]Cc2cn(C)nc21 ZINC000257261571 190022026 /nfs/dbraw/zinc/02/20/26/190022026.db2.gz LHXOOTRXGVDWJJ-NSHDSACASA-N 1 0 286.335 1.254 40 0 CDABRO Cc1cc(Nc2ncccc2C)nc(C2C[NH2+]C2)n1 ZINC000257305178 190031157 /nfs/dbraw/zinc/03/11/57/190031157.db2.gz SOSZCEDZCAPTQI-UHFFFAOYSA-N 1 0 255.325 1.919 40 0 CDABRO Cc1ccc(CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)s1 ZINC000257305974 190031184 /nfs/dbraw/zinc/03/11/84/190031184.db2.gz SSHZYBSGOZJVDF-AWEZNQCLSA-N 1 0 282.409 1.124 40 0 CDABRO Cc1ccoc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288441312 197079788 /nfs/dbraw/zinc/07/97/88/197079788.db2.gz IOJUNLBVWANDPN-GFCCVEGCSA-N 1 0 266.341 1.165 40 0 CDABRO OC1(C[N@@H+]2CCC[C@H](c3nccs3)C2)CCOCC1 ZINC000153004785 285237125 /nfs/dbraw/zinc/23/71/25/285237125.db2.gz NKORTZPAMIUOFE-LBPRGKRZSA-N 1 0 282.409 1.864 40 0 CDABRO CCOc1ncc([C@@H](C[NH3+])N2CCCCC2)cn1 ZINC000096511162 390530527 /nfs/dbraw/zinc/53/05/27/390530527.db2.gz ZWVDQHMAORFMRH-GFCCVEGCSA-N 1 0 250.346 1.361 40 0 CDABRO CCn1nnc2c1[C@H](COC)C[N@H+](CC1CCOCC1)C2 ZINC000096060849 390912474 /nfs/dbraw/zinc/91/24/74/390912474.db2.gz WGNHOHCGKVAJQA-ZDUSSCGKSA-N 1 0 294.399 1.270 40 0 CDABRO Cc1cc(-c2nccnc2[C@@H]2CCC[N@@H+](C)C2)n[nH]1 ZINC000257234496 391648429 /nfs/dbraw/zinc/64/84/29/391648429.db2.gz GTUCWYWNYMRJOA-LLVKDONJSA-N 1 0 257.341 1.984 40 0 CDABRO c1cn2c(n1)CO[C@@H](C[NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000096296259 393174278 /nfs/dbraw/zinc/17/42/78/393174278.db2.gz ZLFDQJJYNQLRCP-LBPRGKRZSA-N 1 0 287.319 1.300 40 0 biogenic,in-vitro CDABRO C1=CC[C@@H]2C[NH+](CCCN3CCOCC3)C[C@H]2C1 ZINC000001682897 169740952 /nfs/dbraw/zinc/74/09/52/169740952.db2.gz QPZDDNOFYNQODF-HUUCEWRRSA-N 1 0 250.386 1.607 40 0 CDABRO O=C(C[NH+]1CCCCCC1)NCc1ccc2c(c1)OCO2 ZINC000004935980 170042300 /nfs/dbraw/zinc/04/23/00/170042300.db2.gz REHMAKFFQXIUSR-UHFFFAOYSA-N 1 0 290.363 1.908 40 0 CDABRO Cc1nn(C)c(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000008490513 170337825 /nfs/dbraw/zinc/33/78/25/170337825.db2.gz QZIVZNFVLJBITH-YHWZYXNKSA-N 1 0 276.384 1.392 40 0 CDABRO COc1cc(CNCC[NH2+]CCO)cc(Cl)c1OC ZINC000022076109 171351958 /nfs/dbraw/zinc/35/19/58/171351958.db2.gz XQUHRSHOYYDGGC-UHFFFAOYSA-N 1 0 288.775 1.029 40 0 CDABRO COc1cc(OC)c([C@@H](C[NH3+])N(C)C)c(OC)c1 ZINC000037376741 173165748 /nfs/dbraw/zinc/16/57/48/173165748.db2.gz KJCTXCBDMWSXEB-SNVBAGLBSA-N 1 0 254.330 1.274 40 0 CDABRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(N)c2)C1 ZINC000040620343 174354339 /nfs/dbraw/zinc/35/43/39/174354339.db2.gz PLKMLVBMVNQUJK-LBPRGKRZSA-N 1 0 261.369 1.729 40 0 CDABRO CCCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1Nc1ccccc1 ZINC000055112101 175571008 /nfs/dbraw/zinc/57/10/08/175571008.db2.gz YTYFYSXDNUDVKJ-UONOGXRCSA-N 1 0 282.409 1.654 40 0 CDABRO Brc1cccc(OC[C@H]2C[NH2+]CCO2)c1 ZINC000070834080 176007902 /nfs/dbraw/zinc/00/79/02/176007902.db2.gz ZVPPKBXSJDZKGC-LLVKDONJSA-N 1 0 272.142 1.816 40 0 CDABRO c1cnc(OC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000072351002 176373721 /nfs/dbraw/zinc/37/37/21/176373721.db2.gz JIZAVXCBYDMTGQ-UHFFFAOYSA-N 1 0 270.336 1.915 40 0 CDABRO COc1ncc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)cn1 ZINC000072386214 176391592 /nfs/dbraw/zinc/39/15/92/176391592.db2.gz HMWQHTLEAORXJW-CYBMUJFWSA-N 1 0 287.367 1.896 40 0 CDABRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(F)ccc1O ZINC000080032103 177598691 /nfs/dbraw/zinc/59/86/91/177598691.db2.gz ZOGVWNFGGCIKRI-SECBINFHSA-N 1 0 254.305 1.601 40 0 CDABRO [NH3+][C@@H]1CCc2c(ccc(=O)n2Cc2ccncc2)C1 ZINC000096086852 274959766 /nfs/dbraw/zinc/95/97/66/274959766.db2.gz PTHKGSSSKLLQEL-CYBMUJFWSA-N 1 0 255.321 1.108 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000079409991 275702221 /nfs/dbraw/zinc/70/22/21/275702221.db2.gz IXXNWUBFEFXWLT-RYUDHWBXSA-N 1 0 299.415 1.485 40 0 CDABRO CC[NH2+][C@@H]1CCOC2(CCN(c3ncccn3)CC2)C1 ZINC000257235251 276268349 /nfs/dbraw/zinc/26/83/49/276268349.db2.gz GXBJNIVGFYHWSA-CYBMUJFWSA-N 1 0 276.384 1.604 40 0 CDABRO CC(=O)N(C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1)C(C)C ZINC000079418024 276950786 /nfs/dbraw/zinc/95/07/86/276950786.db2.gz OBOZYIVDPUMECZ-KGLIPLIRSA-N 1 0 283.416 1.075 40 0 CDABRO CCN(C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1)C(C)=O ZINC000079417969 279230190 /nfs/dbraw/zinc/23/01/90/279230190.db2.gz XPNHQZRZNLMVED-KGLIPLIRSA-N 1 0 283.416 1.077 40 0 CDABRO COC[C@]1(C(=O)NC2C(C)(C)C2(C)C)CC[NH2+]C1 ZINC000261589274 536655440 /nfs/dbraw/zinc/65/54/40/536655440.db2.gz WFMJVXKKAMMOGX-AWEZNQCLSA-N 1 0 254.374 1.163 40 0 CDABRO CC1(C)CC(=O)NCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000931200751 617643280 /nfs/dbraw/zinc/64/32/80/617643280.db2.gz ACEWNUWHAKKHTH-LBPRGKRZSA-N 1 0 266.385 1.689 40 0 CDABRO Cn1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000930079843 787069873 /nfs/dbraw/zinc/06/98/73/787069873.db2.gz XOEZYQHVBBFZMY-GFCCVEGCSA-N 1 0 277.372 1.559 40 0 CDABRO CN(CC[NH+](C)C)Cc1ccnc([C@@H]2CCCO2)n1 ZINC000257258677 282092346 /nfs/dbraw/zinc/09/23/46/282092346.db2.gz KVBOZRUCQAJKDI-ZDUSSCGKSA-N 1 0 264.373 1.322 40 0 CDABRO O=C1NCCC12CC[NH+](Cc1cccs1)CC2 ZINC000096046687 185071626 /nfs/dbraw/zinc/07/16/26/185071626.db2.gz JGIUKSSZJGAPAZ-UHFFFAOYSA-N 1 0 250.367 1.850 40 0 CDABRO O=C1N(c2cncnc2)CC[C@]12CCC[N@H+](CC1CC1)C2 ZINC000096048724 185072832 /nfs/dbraw/zinc/07/28/32/185072832.db2.gz ZLQIOQIMNNBPKX-INIZCTEOSA-N 1 0 286.379 1.706 40 0 CDABRO Fc1cccnc1OC[C@H]1CCn2nccc2C[NH2+]1 ZINC000585097201 342211796 /nfs/dbraw/zinc/21/17/96/342211796.db2.gz IRKNKZSAGGAICW-SNVBAGLBSA-N 1 0 262.288 1.358 40 0 CDABRO CC1(C)COC(=O)N1c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000585178795 342232606 /nfs/dbraw/zinc/23/26/06/342232606.db2.gz GWEHDHGCVNACTF-JTQLQIEISA-N 1 0 276.340 1.679 40 0 CDABRO OC[C@@]1(Cc2ccccc2)CN(Cc2cncnc2)CCO1 ZINC000585269039 342254448 /nfs/dbraw/zinc/25/44/48/342254448.db2.gz IPDCLUKITZLHLE-QGZVFWFLSA-N 1 0 299.374 1.283 40 0 CDABRO CNC(=O)C[C@@]1(COC)CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000585276490 342256343 /nfs/dbraw/zinc/25/63/43/342256343.db2.gz PAYALVUKHIRSKH-MRXNPFEDSA-N 1 0 291.395 1.507 40 0 CDABRO C[N@H+](CCO)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289991 342258784 /nfs/dbraw/zinc/25/87/84/342258784.db2.gz YSHBOJBIMUITGJ-RRFJBIMHSA-N 1 0 299.798 1.925 40 0 CDABRO Cc1nnn2c1COC[C@@H](C[NH2+]Cc1ccco1)C2 ZINC000096061110 282370035 /nfs/dbraw/zinc/37/00/35/282370035.db2.gz RPSPYSKZTUQFGZ-NSHDSACASA-N 1 0 262.313 1.116 40 0 CDABRO CN1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000314313999 344911664 /nfs/dbraw/zinc/91/16/64/344911664.db2.gz MOGVBIOSSDMYCC-GFCCVEGCSA-N 1 0 294.374 1.372 40 0 CDABRO C[N@@H+]1CCC[C@@H]1c1ccc(N2CCC(C(N)=O)CC2)cn1 ZINC000257257884 362580411 /nfs/dbraw/zinc/58/04/11/362580411.db2.gz KRMBFJPSEJPCMT-OAHLLOKOSA-N 1 0 288.395 1.550 40 0 CDABRO Cc1ccccc1Cc1nsc(N2CC[NH2+]CC2)n1 ZINC000034839824 348746345 /nfs/dbraw/zinc/74/63/45/348746345.db2.gz RIWPUFMKBFDFJN-UHFFFAOYSA-N 1 0 274.393 1.847 40 0 CDABRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2nccs2)C1 ZINC000069216441 349094170 /nfs/dbraw/zinc/09/41/70/349094170.db2.gz UPVWCJYFIHOVCS-SECBINFHSA-N 1 0 254.359 1.701 40 0 CDABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccnn1C)C2 ZINC000108535062 186222325 /nfs/dbraw/zinc/22/23/25/186222325.db2.gz RLOVRGALTLTDTR-UKRRQHHQSA-N 1 0 276.384 1.158 40 0 CDABRO CO[C@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000154281477 188133194 /nfs/dbraw/zinc/13/31/94/188133194.db2.gz RUIVMNUILOZVJK-UONOGXRCSA-N 1 0 262.353 1.194 40 0 CDABRO CCCOc1ccc2c(c1)CCN(C(=O)[C@@H](C)[NH3+])C2 ZINC000157794230 188339653 /nfs/dbraw/zinc/33/96/53/188339653.db2.gz HOKWCKXFOLNKIM-LLVKDONJSA-N 1 0 262.353 1.707 40 0 CDABRO CN(C)c1nc(=[N+](C)CCc2ccccn2)ss1 ZINC000016953017 356449724 /nfs/dbraw/zinc/44/97/24/356449724.db2.gz JGYCOAFNCPIOBK-UHFFFAOYSA-N 1 0 281.430 1.310 40 0 CDABRO [NH3+]CCCN1C(=O)S[C@H](Cc2ccc(F)cc2)C1=O ZINC000036636015 356875595 /nfs/dbraw/zinc/87/55/95/356875595.db2.gz ANXQNKJGSZGABK-LLVKDONJSA-N 1 0 282.340 1.781 40 0 CDABRO C[N@H+](CCO)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391642 356988446 /nfs/dbraw/zinc/98/84/46/356988446.db2.gz LIJSBXINQWNNDR-OAHLLOKOSA-N 1 0 292.379 1.712 40 0 CDABRO CN(C[C@H]1CCCC[N@@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407909 356991444 /nfs/dbraw/zinc/99/14/44/356991444.db2.gz HIYGROAJCLIOHS-GFCCVEGCSA-N 1 0 272.389 1.700 40 0 CDABRO CC(=O)N(C[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1)C(C)C ZINC000079418020 356994958 /nfs/dbraw/zinc/99/49/58/356994958.db2.gz OBOZYIVDPUMECZ-KBPBESRZSA-N 1 0 283.416 1.075 40 0 CDABRO C[C@H]([NH3+])C(=O)N(Cc1cccc2c1OCCO2)C1CC1 ZINC000079421478 356996734 /nfs/dbraw/zinc/99/67/34/356996734.db2.gz IRBUGBGBNUHXGN-JTQLQIEISA-N 1 0 276.336 1.296 40 0 CDABRO C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000062624827 357477800 /nfs/dbraw/zinc/47/78/00/357477800.db2.gz VTTPEZQPSQRZBW-SNVBAGLBSA-N 1 0 252.745 1.703 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2cc3ccc(F)cc3[nH]2)C[C@H]1O ZINC000299850705 357750359 /nfs/dbraw/zinc/75/03/59/357750359.db2.gz IHEBCVRRIRIUGA-ZIAGYGMSSA-N 1 0 291.326 1.054 40 0 CDABRO Cc1nc(C2CC[NH2+]CC2)cc(N2CCOCC2)n1 ZINC000072386611 357831790 /nfs/dbraw/zinc/83/17/90/357831790.db2.gz QRKIUMBXLRKTKR-UHFFFAOYSA-N 1 0 262.357 1.089 40 0 CDABRO COc1ccc(S(=O)(=O)NCC[NH+](C)C)c(C)c1C ZINC000074935868 357933167 /nfs/dbraw/zinc/93/31/67/357933167.db2.gz ZJZILIRHXBZBCW-UHFFFAOYSA-N 1 0 286.397 1.152 40 0 CDABRO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC000199768562 358092526 /nfs/dbraw/zinc/09/25/26/358092526.db2.gz ZNVBVBJFGYWTQJ-RQJHMYQMSA-N 1 0 254.252 1.743 40 0 CDABRO C[NH+]1CCC(NC(=O)c2cc(F)ccc2F)CC1 ZINC000082271068 358154734 /nfs/dbraw/zinc/15/47/34/358154734.db2.gz WJZDTCQOYQTLLZ-UHFFFAOYSA-N 1 0 254.280 1.789 40 0 CDABRO COC(=O)c1cc(N)c(C)c(OCC[NH+](C)C)c1 ZINC000095095525 366404618 /nfs/dbraw/zinc/40/46/18/366404618.db2.gz RJOFAHFFDSKQMU-UHFFFAOYSA-N 1 0 252.314 1.304 40 0 CDABRO COCCN1CCn2cc(C[N@H+](C)C(C)C)nc2C1 ZINC000096197207 358716429 /nfs/dbraw/zinc/71/64/29/358716429.db2.gz IOJIUWYLXMATMF-UHFFFAOYSA-N 1 0 266.389 1.185 40 0 CDABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N[C@H]3C)s1 ZINC000096201474 358718289 /nfs/dbraw/zinc/71/82/89/358718289.db2.gz NAPVLYCFTXXAJB-LBPRGKRZSA-N 1 0 294.420 1.926 40 0 CDABRO COCCO[C@@H]1CC[N@H+](CC2CC2)[C@H]1Cc1cnn(C)c1 ZINC000096200234 358718449 /nfs/dbraw/zinc/71/84/49/358718449.db2.gz RVUBEYPRFVPHRE-JKSUJKDBSA-N 1 0 293.411 1.479 40 0 CDABRO COc1ncccc1CN1CCOC[C@]2(CC[N@H+](C)C2)C1 ZINC000096201920 358719341 /nfs/dbraw/zinc/71/93/41/358719341.db2.gz MISNYPRWRQRVLB-INIZCTEOSA-N 1 0 291.395 1.244 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1ccoc1)CC[C@@H]2OC ZINC000096206450 358720173 /nfs/dbraw/zinc/72/01/73/358720173.db2.gz CUBYISHTVMIHGF-ZNMIVQPWSA-N 1 0 264.369 1.821 40 0 CDABRO O=C1[C@H]2C[N@@H+]([C@H]3CCOC3)C[C@H]2CN1c1ccsc1 ZINC000096245220 358725441 /nfs/dbraw/zinc/72/54/41/358725441.db2.gz SVYWNYIMYNYFGQ-GVXVVHGQSA-N 1 0 278.377 1.432 40 0 CDABRO COCCN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C)s1 ZINC000096245835 358725953 /nfs/dbraw/zinc/72/59/53/358725953.db2.gz BYYXHFHQUOBFJF-KBPBESRZSA-N 1 0 294.420 1.878 40 0 CDABRO O=C(NCc1ccccc1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096268904 358731585 /nfs/dbraw/zinc/73/15/85/358731585.db2.gz SAWZJMAESUKZBX-CQSZACIVSA-N 1 0 274.364 1.604 40 0 CDABRO COc1ccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)cc1 ZINC000013999916 366505751 /nfs/dbraw/zinc/50/57/51/366505751.db2.gz LJZVRIXCPBVOJU-UHFFFAOYSA-N 1 0 292.379 1.927 40 0 CDABRO CCOC[C@@]1([NH3+])C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217993016 360648199 /nfs/dbraw/zinc/64/81/99/360648199.db2.gz ROTMIRMNNONLBQ-STQMWFEESA-N 1 0 269.366 1.275 40 0 CDABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](O)c1ccccc1)C2 ZINC000100025278 361278108 /nfs/dbraw/zinc/27/81/08/361278108.db2.gz ZTVIKZXZYLEVOL-XGUBFFRZSA-N 1 0 275.348 1.888 40 0 in-vitro CDABRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCN1CCOC1=O ZINC000076325346 367025414 /nfs/dbraw/zinc/02/54/14/367025414.db2.gz PHRBDCPEMDIBGR-NEPJUHHUSA-N 1 0 256.346 1.064 40 0 CDABRO C[NH2+]CC(=O)Nc1cc(C)n(-c2ccc(F)cc2)n1 ZINC000225635519 369646460 /nfs/dbraw/zinc/64/64/60/369646460.db2.gz ZSMQHYHSMOYCTK-UHFFFAOYSA-N 1 0 262.288 1.478 40 0 CDABRO CCOc1cc(N2CCC([NH3+])CC2)nc(SC)n1 ZINC000079439305 374405834 /nfs/dbraw/zinc/40/58/34/374405834.db2.gz OOZCBLFMSSUFLM-UHFFFAOYSA-N 1 0 268.386 1.525 40 0 CDABRO CCc1nc(CN(CCC(=O)OC)C(C)C)no1 ZINC000079100050 374769849 /nfs/dbraw/zinc/76/98/49/374769849.db2.gz UKCBCOCGILXVEY-UHFFFAOYSA-N 1 0 255.318 1.406 40 0 CDABRO COC(=O)c1cc2c(nc1NC1CC1)CC[NH2+]CC2 ZINC000306128986 374968274 /nfs/dbraw/zinc/96/82/74/374968274.db2.gz HQQJTYGYPRVIBG-UHFFFAOYSA-N 1 0 261.325 1.131 40 0 CDABRO CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ncccc2F)CC1 ZINC000225562549 375164289 /nfs/dbraw/zinc/16/42/89/375164289.db2.gz KYMVUJIIBBHYPW-CYBMUJFWSA-N 1 0 294.374 1.387 40 0 CDABRO Cc1cc(NCCc2cnccn2)nc(C2CC[NH2+]CC2)n1 ZINC000257202679 190011056 /nfs/dbraw/zinc/01/10/56/190011056.db2.gz AMWFJYNHBDOEJP-UHFFFAOYSA-N 1 0 298.394 1.697 40 0 CDABRO COc1ccc(-c2ccc3nnc(C[NH3+])n3n2)cc1OC ZINC000217554137 375671920 /nfs/dbraw/zinc/67/19/20/375671920.db2.gz UQCXUYJXSLSSJT-UHFFFAOYSA-N 1 0 285.307 1.267 40 0 CDABRO C[C@H](NC(=O)C1C[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000257212050 190013005 /nfs/dbraw/zinc/01/30/05/190013005.db2.gz CBSAHGLPEJJIBN-JTQLQIEISA-N 1 0 260.337 1.408 40 0 CDABRO Cc1cc(-c2cnc3ncccn23)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000257218342 190013883 /nfs/dbraw/zinc/01/38/83/190013883.db2.gz DCUJMEAIXFQPIL-GFCCVEGCSA-N 1 0 294.362 1.962 40 0 CDABRO C[N@@H+]1CCC[C@H](c2ccc(C(=O)N3CCOCC3)cn2)C1 ZINC000257239133 190017791 /nfs/dbraw/zinc/01/77/91/190017791.db2.gz HOBSIBXBSGWOSR-AWEZNQCLSA-N 1 0 289.379 1.363 40 0 CDABRO CCn1nccc1-c1cc(C[C@H]2CC[NH2+]C2)ncn1 ZINC000257247185 190019452 /nfs/dbraw/zinc/01/94/52/190019452.db2.gz IXVUJUWJXUIFPZ-LLVKDONJSA-N 1 0 257.341 1.512 40 0 CDABRO c1cnc(Nc2cnc([C@H]3CCC[NH2+]C3)cn2)cn1 ZINC000257250460 190020294 /nfs/dbraw/zinc/02/02/94/190020294.db2.gz JMPJZLCUTVMXHU-JTQLQIEISA-N 1 0 256.313 1.477 40 0 CDABRO CCn1nc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)cc1C ZINC000257268880 190023688 /nfs/dbraw/zinc/02/36/88/190023688.db2.gz MNQLRGHGEYGAFP-DZGCQCFKSA-N 1 0 290.411 1.816 40 0 CDABRO c1nc2ncccn2c1-c1cncc(C2CC[NH2+]CC2)n1 ZINC000257256253 190021622 /nfs/dbraw/zinc/02/16/22/190021622.db2.gz KKRXMYCUTRXOJH-UHFFFAOYSA-N 1 0 280.335 1.653 40 0 CDABRO Cn1ccnc1-c1cncc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000257281997 190026206 /nfs/dbraw/zinc/02/62/06/190026206.db2.gz ORVNTMBFSXVKJB-GFCCVEGCSA-N 1 0 287.367 1.049 40 0 CDABRO COCCN(C)C(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257285839 190026660 /nfs/dbraw/zinc/02/66/60/190026660.db2.gz PJCRIPNZDUGCLW-UHFFFAOYSA-N 1 0 299.374 1.926 40 0 CDABRO CCn1nccc1-c1cncc(C[C@@H]2CC[NH2+]C2)n1 ZINC000257275014 190024832 /nfs/dbraw/zinc/02/48/32/190024832.db2.gz NNPNXJUZDRFDBY-NSHDSACASA-N 1 0 257.341 1.512 40 0 CDABRO O=C(Cc1cccs1)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257290260 190028078 /nfs/dbraw/zinc/02/80/78/190028078.db2.gz QCERPVJFWYFLLG-UMVBOHGHSA-N 1 0 294.420 1.395 40 0 CDABRO COC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[N@H+](C)C1 ZINC000257294766 190028422 /nfs/dbraw/zinc/02/84/22/190028422.db2.gz QVQCSINPPKBWGX-GFCCVEGCSA-N 1 0 280.343 1.476 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cccc3cccnc32)C1 ZINC000257305776 190031007 /nfs/dbraw/zinc/03/10/07/190031007.db2.gz SRMBLOAAXCXNSL-KRWDZBQOSA-N 1 0 299.374 1.373 40 0 CDABRO c1cc(NC2CC3(C2)CC[N@@H+](C2CCOCC2)C3)ncn1 ZINC000257331291 190035442 /nfs/dbraw/zinc/03/54/42/190035442.db2.gz XSEOPQQTFVFESP-UHFFFAOYSA-N 1 0 288.395 1.922 40 0 CDABRO C[C@@H]1CN(c2cnc(C3CC[NH2+]CC3)cn2)C(=O)O1 ZINC000257331709 190035957 /nfs/dbraw/zinc/03/59/57/190035957.db2.gz XTXXLNOELUEIBY-SECBINFHSA-N 1 0 262.313 1.289 40 0 CDABRO CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)C[NH3+] ZINC000079390869 285083435 /nfs/dbraw/zinc/08/34/35/285083435.db2.gz KBQMPBJMSADWPO-GFCCVEGCSA-N 1 0 299.415 1.441 40 0 CDABRO CCc1ccc(C[NH+]2CCC3(CCNC3=O)CC2)o1 ZINC000096157702 256813567 /nfs/dbraw/zinc/81/35/67/256813567.db2.gz NCSFORUBMTUBDR-UHFFFAOYSA-N 1 0 262.353 1.944 40 0 CDABRO C[C@H]1CCc2[nH]nc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)c2C1 ZINC000012146881 390202407 /nfs/dbraw/zinc/20/24/07/390202407.db2.gz IPZMEBHLTDWGEL-IINYFYTJSA-N 1 0 288.395 1.359 40 0 CDABRO CCn1cc2c(n1)nc(N1CCC([NH3+])CC1)cc2C ZINC000012398932 390202687 /nfs/dbraw/zinc/20/26/87/390202687.db2.gz QAYZMPGFQYRRBF-UHFFFAOYSA-N 1 0 259.357 1.687 40 0 CDABRO [NH3+][C@@H]1CCN(c2nc(C3CC3)nc3c2CCCC3)C1 ZINC000096516998 390531821 /nfs/dbraw/zinc/53/18/21/390531821.db2.gz GXJIBPAFDKPWNR-LLVKDONJSA-N 1 0 258.369 1.770 40 0 CDABRO CCOC(=O)[C@H](CN)[C@](C)(CC)[NH+]1CCCCC1 ZINC000072210438 390618443 /nfs/dbraw/zinc/61/84/43/390618443.db2.gz UNZPUEORNMWUBR-JSGCOSHPSA-N 1 0 256.390 1.779 40 0 CDABRO CCOC(=O)[C@H](CN)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000072210504 390618662 /nfs/dbraw/zinc/61/86/62/390618662.db2.gz WNDMCPZMRMMPIE-CHWSQXEVSA-N 1 0 256.390 1.635 40 0 CDABRO CO[C@H]1C[N@H+](Cc2ccc(C)o2)[C@@H]2CCCO[C@@H]21 ZINC000096057407 390912405 /nfs/dbraw/zinc/91/24/05/390912405.db2.gz BSVRLSHZYPHPKL-RDBSUJKOSA-N 1 0 251.326 1.966 40 0 CDABRO Cc1c[nH]c([C@H]2COCCN2C(=O)C[NH+]2CCCCC2)n1 ZINC000257223570 391648297 /nfs/dbraw/zinc/64/82/97/391648297.db2.gz DXYYFSPGDRXYDW-CYBMUJFWSA-N 1 0 292.383 1.104 40 0 CDABRO Fc1cccc(NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC000306122986 392105196 /nfs/dbraw/zinc/10/51/96/392105196.db2.gz ABJPOERBBNAPOS-WFASDCNBSA-N 1 0 280.343 1.633 40 0 CDABRO CNC(=O)c1sc2nccnc2c1C1CC[NH2+]CC1 ZINC000257314442 392977922 /nfs/dbraw/zinc/97/79/22/392977922.db2.gz UWYXEYJDKIZDDT-UHFFFAOYSA-N 1 0 276.365 1.518 40 0 CDABRO CS[C@@H]1c2ccccc2N[C@@H]1CC[NH2+]CCO ZINC000003159364 169862611 /nfs/dbraw/zinc/86/26/11/169862611.db2.gz QNRFQQVZDARXBO-CHWSQXEVSA-N 1 0 252.383 1.857 40 0 CDABRO CC(C)N(C(=O)[C@@H](C)[NH2+]C[C@@H]1CCCO1)C(C)C ZINC000004969156 170046974 /nfs/dbraw/zinc/04/69/74/170046974.db2.gz NCETZSSCAXGGDG-OLZOCXBDSA-N 1 0 256.390 1.789 40 0 CDABRO CCOC(CC[NH2+]CC(OCC)OCC)OCC ZINC000005837406 170145469 /nfs/dbraw/zinc/14/54/69/170145469.db2.gz AYQJBFKBVIODLQ-UHFFFAOYSA-N 1 0 263.378 1.764 40 0 CDABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccnn1C(F)F)C2 ZINC000006639272 170221382 /nfs/dbraw/zinc/22/13/82/170221382.db2.gz WNHNVMVYDZWGRO-PBINXNQUSA-N 1 0 284.310 1.633 40 0 CDABRO C[C@@H]1CN([C@H](C[NH3+])c2ccc(F)cc2)C[C@H](C)O1 ZINC000022161878 171364247 /nfs/dbraw/zinc/36/42/47/171364247.db2.gz LKAVRIRVSFRCHU-UHIISALHSA-N 1 0 252.333 1.935 40 0 CDABRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2F)CC[NH2+]1 ZINC000071978920 176307916 /nfs/dbraw/zinc/30/79/16/176307916.db2.gz ZWXKUMLIKSAECV-QMMMGPOBSA-N 1 0 256.708 1.913 40 0 CDABRO COC[C@@H]1CN(C(C)=O)CC[N@H+](Cc2ccccn2)C1 ZINC000072343691 176372174 /nfs/dbraw/zinc/37/21/74/176372174.db2.gz XMIHMWMIMPQJEE-AWEZNQCLSA-N 1 0 277.368 1.008 40 0 CDABRO COc1ccc(OCC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000072367777 176382526 /nfs/dbraw/zinc/38/25/26/176382526.db2.gz NHRIVMGUZOXYQT-UHFFFAOYSA-N 1 0 278.352 1.271 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2nccnc2NCC(F)F)C1 ZINC000072386923 176392511 /nfs/dbraw/zinc/39/25/11/176392511.db2.gz QETORALZVSLSHO-SECBINFHSA-N 1 0 256.300 1.963 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(F)cc1 ZINC000072397625 176394955 /nfs/dbraw/zinc/39/49/55/176394955.db2.gz YXVJSUXEIQRSPJ-BYCMXARLSA-N 1 0 264.344 1.465 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc(F)ccc1F ZINC000072397612 176395207 /nfs/dbraw/zinc/39/52/07/176395207.db2.gz CXRGNYDKPUQGJC-ZLKJLUDKSA-N 1 0 282.334 1.604 40 0 CDABRO O=C1CN(C2CC[NH2+]CC2)C(=O)C[C@H](C2CCCCC2)N1 ZINC000091689957 260482570 /nfs/dbraw/zinc/48/25/70/260482570.db2.gz KYTUYIBEQRZBLO-CQSZACIVSA-N 1 0 293.411 1.036 40 0 CDABRO C[C@@H]1O[C@@H](O[C@@H]2CCCc3ccccc32)C[C@@H]([NH3+])[C@H]1O ZINC000005208944 274422943 /nfs/dbraw/zinc/42/29/43/274422943.db2.gz GFJVGEMINSLVKX-PLTLITPRSA-N 1 0 277.364 1.904 40 0 CDABRO COC[C@@H]1CN(C(C)=O)CC12CC[NH+](CC1CCC1)CC2 ZINC000247816941 277579293 /nfs/dbraw/zinc/57/92/93/277579293.db2.gz BQWNRWNQGBPBDT-INIZCTEOSA-N 1 0 294.439 1.993 40 0 CDABRO Cc1nccnc1C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000257278055 327130905 /nfs/dbraw/zinc/13/09/05/327130905.db2.gz OAORJUDBMSEYGZ-UONOGXRCSA-N 1 0 261.369 1.878 40 0 CDABRO CC[N@H+]1C[C@@H](NC(=O)c2ccncc2)[C@H]2OCCC[C@H]2C1 ZINC000097953483 527948846 /nfs/dbraw/zinc/94/88/46/527948846.db2.gz CJGGDFWPGFSKSH-ZNMIVQPWSA-N 1 0 289.379 1.311 40 0 CDABRO CNc1ccccc1C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000902410704 624735145 /nfs/dbraw/zinc/73/51/45/624735145.db2.gz SLXSWAGYQHNTTA-CYBMUJFWSA-N 1 0 297.424 1.242 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H](C)c1c(F)cccc1F ZINC001548448001 967501220 /nfs/dbraw/zinc/50/12/20/967501220.db2.gz CXGNCIGNRVUNIA-GGZOMVNGSA-N 1 0 284.306 1.171 40 0 CDABRO [NH3+]C1CCN(C(=O)c2c[nH]nc2-c2cccs2)CC1 ZINC000067172906 1171436512 /nfs/dbraw/zinc/43/65/12/1171436512.db2.gz PLKBHKCGMXDLFJ-UHFFFAOYSA-N 1 0 276.365 1.702 40 0 CDABRO Fc1ccccc1Cn1cnnc1[C@H]1CCC[NH2+]C1 ZINC000082569461 178103759 /nfs/dbraw/zinc/10/37/59/178103759.db2.gz RVIWKGAAOOJPTQ-NSHDSACASA-N 1 0 260.316 1.933 40 0 CDABRO COc1cccc(C[NH2+]C[C@H]2OCCc3cn(C)nc32)c1 ZINC000096044281 185072096 /nfs/dbraw/zinc/07/20/96/185072096.db2.gz OFESWRDGPHPQKU-OAHLLOKOSA-N 1 0 287.363 1.832 40 0 CDABRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](CC2CC2)C1)N1CCCCO1 ZINC000096057684 185077218 /nfs/dbraw/zinc/07/72/18/185077218.db2.gz FFILXYFIOQTQGW-RRFJBIMHSA-N 1 0 294.395 1.430 40 0 CDABRO C[C@H]1C(=O)NC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC000096070429 185085225 /nfs/dbraw/zinc/08/52/25/185085225.db2.gz WNHFYIOAGIESKG-SNPRPXQTSA-N 1 0 258.365 1.543 40 0 CDABRO CCOCC(=O)N1CC2(C1)CC[N@H+](Cc1ccncc1)C2 ZINC000096070833 185087438 /nfs/dbraw/zinc/08/74/38/185087438.db2.gz CMEOEBAGWBHFHL-UHFFFAOYSA-N 1 0 289.379 1.152 40 0 CDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)o1 ZINC000409422579 342168729 /nfs/dbraw/zinc/16/87/29/342168729.db2.gz IANRHYCDWDTKQD-RNFRBKRXSA-N 1 0 274.114 1.518 40 0 CDABRO COCc1nnc2n1CC[N@H+](C1CCCC1)[C@H](C)C2 ZINC000585097356 342211587 /nfs/dbraw/zinc/21/15/87/342211587.db2.gz JGUWCCBTRMVTMR-LLVKDONJSA-N 1 0 264.373 1.614 40 0 CDABRO Cc1nc(-c2ccnn2C)cc([C@H]2CCC[NH2+]C2)n1 ZINC000585180131 342232501 /nfs/dbraw/zinc/23/25/01/342232501.db2.gz IIHMVGNOMNUYKM-NSHDSACASA-N 1 0 257.341 1.653 40 0 CDABRO Cc1cc(N2C(=O)OCC2(C)C)nc([C@H]2CCC[NH2+]2)n1 ZINC000585178813 342232565 /nfs/dbraw/zinc/23/25/65/342232565.db2.gz URKAMPBCHPLPOS-SNVBAGLBSA-N 1 0 276.340 1.945 40 0 CDABRO CNC(=O)CC[C@@]1(OC)CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000585277690 342256305 /nfs/dbraw/zinc/25/63/05/342256305.db2.gz WZDZXPYPALZYRF-HNNXBMFYSA-N 1 0 294.399 1.225 40 0 CDABRO CN(C)c1ccc2c(N(C)C)cc(N(C)C)[n+](C)c2c1 ZINC000001570582 355940304 /nfs/dbraw/zinc/94/03/04/355940304.db2.gz QBXHKPCRTCFEAH-UHFFFAOYSA-N 1 0 273.404 1.862 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1 ZINC000004497851 356033155 /nfs/dbraw/zinc/03/31/55/356033155.db2.gz VQNJVEUIDSWMDN-AWEZNQCLSA-N 1 0 289.379 1.534 40 0 CDABRO C([C@H]1CCCCO1)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000019365911 356483031 /nfs/dbraw/zinc/48/30/31/356483031.db2.gz UNSLULGNELHPHQ-HZPDHXFCSA-N 1 0 282.428 1.742 40 0 CDABRO CC(=O)NCc1ccc(-c2cc(C[NH+](C)C)n(C)n2)cc1 ZINC000019022119 356474608 /nfs/dbraw/zinc/47/46/08/356474608.db2.gz UYUBHAUBAOZSMR-UHFFFAOYSA-N 1 0 286.379 1.785 40 0 CDABRO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000019719144 356497090 /nfs/dbraw/zinc/49/70/90/356497090.db2.gz KKPKFIYKTHWUAD-AWEZNQCLSA-N 1 0 289.379 1.791 40 0 CDABRO OCC[NH2+]CCNCc1c(Cl)cccc1Cl ZINC000023255770 356637449 /nfs/dbraw/zinc/63/74/49/356637449.db2.gz GTQYAYOXZSXBCY-UHFFFAOYSA-N 1 0 263.168 1.665 40 0 CDABRO CC(C)N(C[C@H]1CCN(C(=O)C[NH3+])C1)C(=O)OC(C)(C)C ZINC000079409260 356992676 /nfs/dbraw/zinc/99/26/76/356992676.db2.gz DYYUWUKFCSIRNV-LBPRGKRZSA-N 1 0 299.415 1.439 40 0 CDABRO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1CCO ZINC000079414177 356994034 /nfs/dbraw/zinc/99/40/34/356994034.db2.gz NOEBHQIMRBNKGG-INIZCTEOSA-N 1 0 262.397 1.965 40 0 CDABRO CC(=O)N(C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000079418016 356995666 /nfs/dbraw/zinc/99/56/66/356995666.db2.gz VSLQVALMJXYQJM-KBPBESRZSA-N 1 0 283.416 1.218 40 0 CDABRO C[NH+](C)CCCNC(=O)Cc1ccccc1Cl ZINC000047652968 357162016 /nfs/dbraw/zinc/16/20/16/357162016.db2.gz NGPMQZGWUAMYLW-UHFFFAOYSA-N 1 0 254.761 1.950 40 0 CDABRO COc1ccc(-c2nc(C)cc(N3CC[NH2+]CC3)n2)cc1 ZINC000058047145 357375876 /nfs/dbraw/zinc/37/58/76/357375876.db2.gz KATTXFNBJNLWCI-UHFFFAOYSA-N 1 0 284.363 1.870 40 0 CDABRO CC1CC[NH+](Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000072397374 357831967 /nfs/dbraw/zinc/83/19/67/357831967.db2.gz CZVLENAMHGBUMQ-UHFFFAOYSA-N 1 0 276.384 1.545 40 0 CDABRO CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000199768523 358092355 /nfs/dbraw/zinc/09/23/55/358092355.db2.gz ZNVBVBJFGYWTQJ-RNFRBKRXSA-N 1 0 254.252 1.743 40 0 CDABRO Cc1cc(CN2CC3(C2)C[C@H](CO)C[N@@H+]3CC2CC2)no1 ZINC000585093980 358099982 /nfs/dbraw/zinc/09/99/82/358099982.db2.gz WDQBAUSCDGQMRI-AWEZNQCLSA-N 1 0 291.395 1.262 40 0 CDABRO [NH3+]CCc1nc(-c2ccccc2OC(F)F)no1 ZINC000089262339 358400828 /nfs/dbraw/zinc/40/08/28/358400828.db2.gz LLUPQCHLSZVHAB-UHFFFAOYSA-N 1 0 255.224 1.839 40 0 CDABRO COCCN1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1=O ZINC000096244977 358724526 /nfs/dbraw/zinc/72/45/26/358724526.db2.gz YTDVKUYTJZTJJH-STQMWFEESA-N 1 0 280.393 1.285 40 0 CDABRO COc1ncnc2c1CC[N@H+](Cc1ccncc1)CC2 ZINC000096255566 358728751 /nfs/dbraw/zinc/72/87/51/358728751.db2.gz UBTREOMOFQJUGZ-UHFFFAOYSA-N 1 0 270.336 1.481 40 0 CDABRO O=C(NC1CCCCCC1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000096268201 358730360 /nfs/dbraw/zinc/73/03/60/358730360.db2.gz LDDMJEFLNBBQAM-HNNXBMFYSA-N 1 0 279.384 1.724 40 0 CDABRO COc1cccc(O[C@H](C)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000113954559 359440410 /nfs/dbraw/zinc/44/04/10/359440410.db2.gz AEVTYUUYZXYOBK-GFCCVEGCSA-N 1 0 292.379 1.673 40 0 CDABRO CNC(=S)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225212185 359560392 /nfs/dbraw/zinc/56/03/92/359560392.db2.gz RQGKMTMQDAFZHN-UHFFFAOYSA-N 1 0 275.421 1.276 40 0 CDABRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccc2c(c1)CCO2 ZINC000237940918 360193039 /nfs/dbraw/zinc/19/30/39/360193039.db2.gz KLFBIQQVQAAAMN-CYBMUJFWSA-N 1 0 276.336 1.329 40 0 CDABRO C[NH+]1CCN(c2ccccc2NC(=O)C(F)(F)F)CC1 ZINC000007387844 364883473 /nfs/dbraw/zinc/88/34/73/364883473.db2.gz YCSPAIGROBMQQP-UHFFFAOYSA-N 1 0 287.285 1.939 40 0 CDABRO O[C@H](C[C@H]1CCC[N@@H+]1CCn1cncn1)c1ccccc1 ZINC000076106976 366981152 /nfs/dbraw/zinc/98/11/52/366981152.db2.gz WRPKONRKGMSSNK-HZPDHXFCSA-N 1 0 286.379 1.866 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@@H]1c1ccc(Br)cc1 ZINC000218197661 367261263 /nfs/dbraw/zinc/26/12/63/367261263.db2.gz BCAYKDOSAQCOBW-AEJSXWLSSA-N 1 0 290.182 1.287 40 0 CDABRO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCCCC1CCOCC1 ZINC000225500435 189754861 /nfs/dbraw/zinc/75/48/61/189754861.db2.gz FJARHYHWFLLGMB-UKRRQHHQSA-N 1 0 271.401 1.665 40 0 CDABRO Cc1c[nH+]ccc1N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000573061731 371403000 /nfs/dbraw/zinc/40/30/00/371403000.db2.gz PKVWTLLTPFJPFX-GFCCVEGCSA-N 1 0 268.382 1.651 40 0 CDABRO C[NH+](C)CCNC(=O)c1ccnc(O[C@H]2CCSC2)c1 ZINC000225719001 373191564 /nfs/dbraw/zinc/19/15/64/373191564.db2.gz FHYQIGJEXLTCTC-LBPRGKRZSA-N 1 0 295.408 1.257 40 0 CDABRO COc1cc(N2CC[NH2+][C@@H](C)C2)nc(SC)n1 ZINC000079439639 374405756 /nfs/dbraw/zinc/40/57/56/374405756.db2.gz KMJGOHQGIIVISY-QMMMGPOBSA-N 1 0 254.359 1.005 40 0 CDABRO COc1cc(OC)cc([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000019840897 374805426 /nfs/dbraw/zinc/80/54/26/374805426.db2.gz SZEXTGUURAXLBJ-MQIPJXDCSA-N 1 0 294.395 1.813 40 0 CDABRO CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000080529655 374955723 /nfs/dbraw/zinc/95/57/23/374955723.db2.gz GONYOMOXGXABBV-QWHCGFSZSA-N 1 0 299.415 1.310 40 0 CDABRO Fc1cccnc1OC[C@]12CCCO[C@H]1CC[NH2+]C2 ZINC000306125844 374968167 /nfs/dbraw/zinc/96/81/67/374968167.db2.gz DDQCHXUZIZJUJB-GXTWGEPZSA-N 1 0 266.316 1.758 40 0 CDABRO CC[NH+](CC)CCCNCc1cnn(CC(F)F)c1 ZINC000256050933 190003760 /nfs/dbraw/zinc/00/37/60/190003760.db2.gz HBHLUHHSAKELII-UHFFFAOYSA-N 1 0 274.359 1.970 40 0 CDABRO Cc1c(C[NH2+]Cc2cnn(CCF)c2)cnn1C ZINC000256051979 190004009 /nfs/dbraw/zinc/00/40/09/190004009.db2.gz LJJXVICEFNRMIJ-UHFFFAOYSA-N 1 0 251.309 1.184 40 0 CDABRO C[C@]12CCCN(C(=O)c3ccncn3)[C@@H]1CCC[NH2+]2 ZINC000257205230 190011272 /nfs/dbraw/zinc/01/12/72/190011272.db2.gz AYDIWXCUMKXLPD-OCCSQVGLSA-N 1 0 260.341 1.223 40 0 CDABRO c1cc(CC[C@H]2C[N@@H+](C3CCOCC3)CCO2)ncn1 ZINC000257205496 190011329 /nfs/dbraw/zinc/01/13/29/190011329.db2.gz AZIWDGJCPKWNPP-HNNXBMFYSA-N 1 0 277.368 1.289 40 0 CDABRO CNc1cc(C)[nH+]c([C@@H]2CCN(S(=O)(=O)C(C)C)C2)c1 ZINC000257204619 190011823 /nfs/dbraw/zinc/01/18/23/190011823.db2.gz AVOGDBKFWIQGMI-GFCCVEGCSA-N 1 0 297.424 1.959 40 0 CDABRO C[N@@H+]1CCC[C@@](CCCc2cccnc2)(C(N)=O)C1 ZINC000257210790 190012257 /nfs/dbraw/zinc/01/22/57/190012257.db2.gz BWEOEEYYSKJUHQ-OAHLLOKOSA-N 1 0 261.369 1.602 40 0 CDABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccn(C)n1 ZINC000257218118 190013667 /nfs/dbraw/zinc/01/36/67/190013667.db2.gz DBYNKBQNZHNWHL-HNNXBMFYSA-N 1 0 286.379 1.575 40 0 CDABRO C[N@@H+]1CCC[C@@H]2N(C(=O)c3ncccn3)CCC[C@@]21C ZINC000257220369 190014387 /nfs/dbraw/zinc/01/43/87/190014387.db2.gz DKNYCQAZLZOAAH-WFASDCNBSA-N 1 0 274.368 1.566 40 0 CDABRO Cc1cc(-c2nccnc2[C@H]2CCC[N@@H+](C)C2)n[nH]1 ZINC000257234497 190017371 /nfs/dbraw/zinc/01/73/71/190017371.db2.gz GTUCWYWNYMRJOA-NSHDSACASA-N 1 0 257.341 1.984 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000257245223 190019158 /nfs/dbraw/zinc/01/91/58/190019158.db2.gz IOOJFMUGXUPXAK-HNNXBMFYSA-N 1 0 296.798 1.408 40 0 CDABRO C[N@@H+]1CCC[C@@H]2N(C(=O)c3cnccn3)CCC[C@@]21C ZINC000257314192 190031837 /nfs/dbraw/zinc/03/18/37/190031837.db2.gz UVSDAWPSKPPJIL-ZFWWWQNUSA-N 1 0 274.368 1.566 40 0 CDABRO Cn1nccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C ZINC000257305266 190031048 /nfs/dbraw/zinc/03/10/48/190031048.db2.gz SPEXNVQVZHTLNB-HOCLYGCPSA-N 1 0 290.411 1.899 40 0 CDABRO CNc1cncc([C@@H]2CCCN2C(=O)C2CC[NH2+]CC2)n1 ZINC000257337560 190036138 /nfs/dbraw/zinc/03/61/38/190036138.db2.gz YTHRJKLRGHWCEW-ZDUSSCGKSA-N 1 0 289.383 1.181 40 0 CDABRO CO[C@H]1C[N@H+](Cc2c(C)nn(C)c2C)C[C@@]12CCCO2 ZINC000257336366 190036179 /nfs/dbraw/zinc/03/61/79/190036179.db2.gz YOBWGEWUYVUDRL-GJZGRUSLSA-N 1 0 279.384 1.417 40 0 CDABRO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000257344722 190037710 /nfs/dbraw/zinc/03/77/10/190037710.db2.gz ZYKFDEDSSJFHQR-NSHDSACASA-N 1 0 270.340 1.786 40 0 CDABRO CCCOC(=O)c1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000070461614 377036062 /nfs/dbraw/zinc/03/60/62/377036062.db2.gz CNAROGPNZAZCEJ-UHFFFAOYSA-N 1 0 277.368 1.587 40 0 CDABRO O=C(c1cc2c(cc1Cl)OCCO2)N1CC[NH2+]CC1 ZINC000041126407 284619846 /nfs/dbraw/zinc/61/98/46/284619846.db2.gz MVTHEQZUPYHRQC-UHFFFAOYSA-N 1 0 282.727 1.157 40 0 CDABRO C[NH+](C)[C@@H]1COC2(C1)CCN(C(=O)c1ccccn1)CC2 ZINC000063527050 378303572 /nfs/dbraw/zinc/30/35/72/378303572.db2.gz YVHWRJATGHWELC-ZDUSSCGKSA-N 1 0 289.379 1.407 40 0 CDABRO O[C@H]1CC=C2CC[N@@H+]3Cc4cc5c(cc4[C@@H]1[C@H]23)OCO5 ZINC000005734932 285361349 /nfs/dbraw/zinc/36/13/49/285361349.db2.gz XKYSLILSDJBMCU-RCBQFDQVSA-N 1 0 271.316 1.778 40 0 CDABRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH2+]CC1 ZINC000096523435 390536316 /nfs/dbraw/zinc/53/63/16/390536316.db2.gz KPEDTHSEMJXSJH-LLVKDONJSA-N 1 0 285.388 1.158 40 0 CDABRO CCn1ncc(CN(C)C[C@H]2CCCC[NH2+]2)c1C ZINC000096523998 390537752 /nfs/dbraw/zinc/53/77/52/390537752.db2.gz MCKNICNPINFWRX-CQSZACIVSA-N 1 0 250.390 1.785 40 0 CDABRO C(C[NH+]1CCCCC1)N1CCCC[C@@H]1C1OCCO1 ZINC000078601977 390945519 /nfs/dbraw/zinc/94/55/19/390945519.db2.gz VLXTYHRCOSVIPM-CQSZACIVSA-N 1 0 268.401 1.700 40 0 CDABRO O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000096225179 390913548 /nfs/dbraw/zinc/91/35/48/390913548.db2.gz XLZCUKQOQYDCOH-AWEZNQCLSA-N 1 0 259.309 1.524 40 0 CDABRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1(CC)CC ZINC000095408396 391177388 /nfs/dbraw/zinc/17/73/88/391177388.db2.gz PUUCDHAYXHDYSL-UPJWGTAASA-N 1 0 268.401 1.791 40 0 CDABRO CNc1ncc(C[NH2+]CCc2ccc(F)cc2)cn1 ZINC000062717457 391570993 /nfs/dbraw/zinc/57/09/93/391570993.db2.gz WFFWLTPGSUGEQX-UHFFFAOYSA-N 1 0 260.316 1.990 40 0 CDABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[NH2+]C2)OC3)cc1 ZINC000306139207 392106361 /nfs/dbraw/zinc/10/63/61/392106361.db2.gz SSCNSDNERGHXBQ-OAHLLOKOSA-N 1 0 273.311 1.952 40 0 CDABRO Cc1cc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)nn1C ZINC000488020584 392297759 /nfs/dbraw/zinc/29/77/59/392297759.db2.gz BYGBSYTWOGIOHM-CQSZACIVSA-N 1 0 250.390 1.501 40 0 CDABRO CCCCOCCC[NH2+]Cc1cnc(NC)nc1 ZINC000062717481 392803628 /nfs/dbraw/zinc/80/36/28/392803628.db2.gz IVLGJMZVPIVKFQ-UHFFFAOYSA-N 1 0 252.362 1.815 40 0 CDABRO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OC ZINC000008337078 170331889 /nfs/dbraw/zinc/33/18/89/170331889.db2.gz DVYDPPBUCVILRK-GFCCVEGCSA-N 1 0 253.342 1.954 40 0 CDABRO CC[C@H](CO)[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000010384262 170405685 /nfs/dbraw/zinc/40/56/85/170405685.db2.gz CFNYZYURLSXHPV-OLZOCXBDSA-N 1 0 253.342 1.095 40 0 CDABRO CC[NH+]1CCN([C@@H](CC(C)C)c2nnnn2C(C)C)CC1 ZINC000020140391 171026856 /nfs/dbraw/zinc/02/68/56/171026856.db2.gz FMDXDUHUBMRBHX-AWEZNQCLSA-N 1 0 294.447 1.979 40 0 CDABRO C[C@@H]1CN([C@H](C[NH3+])c2ccc(F)cc2)C[C@@H](C)O1 ZINC000022161874 171364224 /nfs/dbraw/zinc/36/42/24/171364224.db2.gz LKAVRIRVSFRCHU-JTNHKYCSSA-N 1 0 252.333 1.935 40 0 CDABRO COc1ccc(CCC(=O)NCC[NH+](C)C)cc1OC ZINC000022521574 171389761 /nfs/dbraw/zinc/38/97/61/171389761.db2.gz GKKZWMZOVXXZOV-UHFFFAOYSA-N 1 0 280.368 1.314 40 0 CDABRO C[C@@H](C(=O)NC1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439414 171484159 /nfs/dbraw/zinc/48/41/59/171484159.db2.gz GYFCOONCIZQKMD-ZDUSSCGKSA-N 1 0 279.428 1.604 40 0 CDABRO C[NH+]1CCC(CNC(=O)c2ccc3nsnc3c2)CC1 ZINC000038936911 174159774 /nfs/dbraw/zinc/15/97/74/174159774.db2.gz RCUSVNGRVHKXSB-UHFFFAOYSA-N 1 0 290.392 1.763 40 0 CDABRO O=c1ccc(-c2cccs2)nn1CC1CC[NH2+]CC1 ZINC000041630861 174587027 /nfs/dbraw/zinc/58/70/27/174587027.db2.gz RLWHWGQGJBSFNS-UHFFFAOYSA-N 1 0 275.377 1.971 40 0 CDABRO O=C(C[NH2+]Cc1ccccc1)N1CCC2(CC1)OCCO2 ZINC000057711891 175601124 /nfs/dbraw/zinc/60/11/24/175601124.db2.gz FJWGNSOZRDJKPO-UHFFFAOYSA-N 1 0 290.363 1.142 40 0 CDABRO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1 ZINC000072343341 176371471 /nfs/dbraw/zinc/37/14/71/176371471.db2.gz VXFUWVIZTUXGDL-LBPRGKRZSA-N 1 0 286.372 1.588 40 0 CDABRO c1cnc(CCNc2cnc([C@H]3CCC[NH2+]C3)cn2)cn1 ZINC000072365346 176380769 /nfs/dbraw/zinc/38/07/69/176380769.db2.gz QFHHXKMLRSBWEZ-LBPRGKRZSA-N 1 0 284.367 1.388 40 0 CDABRO Cn1ccnc1CNC(=O)c1cc([C@H]2CCC[NH2+]2)ccn1 ZINC000072365715 176381210 /nfs/dbraw/zinc/38/12/10/176381210.db2.gz NNPYEBUAVOANIG-GFCCVEGCSA-N 1 0 285.351 1.170 40 0 CDABRO Cc1noc([C@@]2(C)CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072385832 176390411 /nfs/dbraw/zinc/39/04/11/176390411.db2.gz ASAIKGKLPNQMMW-AWEZNQCLSA-N 1 0 275.356 1.665 40 0 CDABRO C[NH+](C)[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040582 276846059 /nfs/dbraw/zinc/84/60/59/276846059.db2.gz INKMOVYJLZSDMM-XQQFMLRXSA-N 1 0 262.357 1.022 40 0 CDABRO O=C(CCn1ccnc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257287122 279760078 /nfs/dbraw/zinc/76/00/78/279760078.db2.gz POPQEAJKAYZQOA-OAHLLOKOSA-N 1 0 284.363 1.446 40 0 CDABRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1nncn1C ZINC000162451666 323213434 /nfs/dbraw/zinc/21/34/34/323213434.db2.gz NOPBUMJJSUYNKX-MNOVXSKESA-N 1 0 266.345 1.027 40 0 CDABRO Clc1cn(Cc2ccccc2)nc1OCC1=[NH+]CCN1 ZINC000218790682 333136255 /nfs/dbraw/zinc/13/62/55/333136255.db2.gz MNVOKEBAPDEXPX-UHFFFAOYSA-N 1 0 290.754 1.965 40 0 CDABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(C)C ZINC000247990733 334293043 /nfs/dbraw/zinc/29/30/43/334293043.db2.gz KKADVFXPDFSQGJ-HNNXBMFYSA-N 1 0 275.396 1.327 40 0 CDABRO [NH3+]C[C@@H](NC(=O)c1ccc(Cl)cn1)C1CCCC1 ZINC000236261893 527204916 /nfs/dbraw/zinc/20/49/16/527204916.db2.gz IDHGRFCJVRVAAH-GFCCVEGCSA-N 1 0 267.760 1.982 40 0 CDABRO Brc1cccc2c([C@@H]3C[NH2+]CCO3)ncn21 ZINC000095698615 342451691 /nfs/dbraw/zinc/45/16/91/342451691.db2.gz PMXWITXTQKAMSR-VIFPVBQESA-N 1 0 282.141 1.758 40 0 CDABRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CC2)cn1 ZINC000096055832 185076435 /nfs/dbraw/zinc/07/64/35/185076435.db2.gz NSSKAUNJVBORMZ-KGLIPLIRSA-N 1 0 274.368 1.119 40 0 CDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2cccnc2)C1 ZINC000096059182 185078412 /nfs/dbraw/zinc/07/84/12/185078412.db2.gz ANFOWCMZAZIUCK-OAHLLOKOSA-N 1 0 285.395 1.472 40 0 CDABRO O[C@@H]1CC[N@H+](Cc2ccncc2)[C@H]1Cc1cccnc1 ZINC000096061607 185083468 /nfs/dbraw/zinc/08/34/68/185083468.db2.gz KRYXOFLSEHCEET-JKSUJKDBSA-N 1 0 269.348 1.655 40 0 CDABRO O=C(c1[nH]nc2c1C[N@H+](CC1CC1)CC2)N1CC=CC1 ZINC000096066596 185083828 /nfs/dbraw/zinc/08/38/28/185083828.db2.gz QGXRQVSTUKWOEQ-UHFFFAOYSA-N 1 0 272.352 1.190 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@@H]21 ZINC000096064191 185084072 /nfs/dbraw/zinc/08/40/72/185084072.db2.gz FYRHEJFHZANEGN-FVQBIDKESA-N 1 0 299.374 1.569 40 0 CDABRO CO[C@H]1CCN(C(=O)C[NH+](C)C)C[C@@H]1Cc1ccccc1 ZINC000096110500 185100705 /nfs/dbraw/zinc/10/07/05/185100705.db2.gz GJTSVZVUSKNLFM-HOTGVXAUSA-N 1 0 290.407 1.654 40 0 CDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)o1 ZINC000409422577 342168702 /nfs/dbraw/zinc/16/87/02/342168702.db2.gz IANRHYCDWDTKQD-BQBZGAKWSA-N 1 0 274.114 1.518 40 0 CDABRO Cc1nnsc1C(=O)N1CCC[C@]12CCC[N@@H+](C)CC2 ZINC000585100602 342212057 /nfs/dbraw/zinc/21/20/57/342212057.db2.gz PHOSJFJIXQLLJN-AWEZNQCLSA-N 1 0 294.424 1.937 40 0 CDABRO C[C@H]1CN(c2cncc(C3CC[NH2+]CC3)n2)C(=O)O1 ZINC000585178816 342232562 /nfs/dbraw/zinc/23/25/62/342232562.db2.gz XMWCNPGKHOJYEV-VIFPVBQESA-N 1 0 262.313 1.289 40 0 CDABRO Cc1nc(-c2nccn2C)cc([C@H]2CCC[N@H+](C)C2)n1 ZINC000585178844 342232623 /nfs/dbraw/zinc/23/26/23/342232623.db2.gz OAGPRNUHIACEME-LBPRGKRZSA-N 1 0 271.368 1.995 40 0 CDABRO CC[NH+](CC)CCNC(=O)c1nn(C2CCCC2)cc1N ZINC000685936415 539098898 /nfs/dbraw/zinc/09/88/98/539098898.db2.gz WJKCEPRCMLGTQP-UHFFFAOYSA-N 1 0 293.415 1.652 40 0 CDABRO C[C@]1(c2ccccc2)CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000079097507 362141053 /nfs/dbraw/zinc/14/10/53/362141053.db2.gz PNRBYJWFJMKGFS-HNNXBMFYSA-N 1 0 296.436 1.589 40 0 CDABRO C[NH+](C)CC[C@H]1CN(Cc2ccoc2)Cc2ccnn21 ZINC000248095644 362149624 /nfs/dbraw/zinc/14/96/24/362149624.db2.gz GOMFSKHKOAFRCH-HNNXBMFYSA-N 1 0 274.368 1.985 40 0 CDABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(F)(F)F ZINC000254303151 342434337 /nfs/dbraw/zinc/43/43/37/342434337.db2.gz GHBNKDTUGOITPV-VHSXEESVSA-N 1 0 264.291 1.929 40 0 CDABRO CCC(CC)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000081780295 362214103 /nfs/dbraw/zinc/21/41/03/362214103.db2.gz LAFRPPRFSCSVEX-AWEZNQCLSA-N 1 0 270.417 1.632 40 0 CDABRO C[N@@H+]1CCN(c2ccncn2)C[C@H]1c1ccccc1 ZINC000257205634 362576858 /nfs/dbraw/zinc/57/68/58/362576858.db2.gz AZYNYWUGHGIXGI-AWEZNQCLSA-N 1 0 254.337 1.970 40 0 CDABRO C[N@@H+]1CCCC[C@@H]1c1cncc(N2CCC(O)CC2)n1 ZINC000257219765 362578288 /nfs/dbraw/zinc/57/82/88/362578288.db2.gz DIAMEFHLHFWNEJ-CQSZACIVSA-N 1 0 276.384 1.595 40 0 CDABRO c1cc2nc(C3CC[NH+](Cc4cnc[nH]4)CC3)ccn2n1 ZINC000257344248 362588173 /nfs/dbraw/zinc/58/81/73/362588173.db2.gz ZWGKAZLLLPMZAF-UHFFFAOYSA-N 1 0 282.351 1.832 40 0 CDABRO COc1ccc([C@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395789 179049195 /nfs/dbraw/zinc/04/91/95/179049195.db2.gz NREFIJHFKFJVQA-ZDUSSCGKSA-N 1 0 251.326 1.484 40 0 CDABRO COc1ccc([C@@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395792 179049215 /nfs/dbraw/zinc/04/92/15/179049215.db2.gz NREFIJHFKFJVQA-CYBMUJFWSA-N 1 0 251.326 1.484 40 0 CDABRO Cc1ccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)s1 ZINC000205682888 348743985 /nfs/dbraw/zinc/74/39/85/348743985.db2.gz VMKFHOQFYUOYFG-CYBMUJFWSA-N 1 0 268.382 1.195 40 0 CDABRO Cn1cc(CN2CCCC[C@H]2CC[NH+](C)C)cn1 ZINC000205697690 348744139 /nfs/dbraw/zinc/74/41/39/348744139.db2.gz RYFIFVVTBLSBBL-AWEZNQCLSA-N 1 0 250.390 1.726 40 0 CDABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000108527142 186220510 /nfs/dbraw/zinc/22/05/10/186220510.db2.gz FCDDBROQUOBPBC-GDBMZVCRSA-N 1 0 273.380 1.820 40 0 CDABRO CCOC[C@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217990233 363025819 /nfs/dbraw/zinc/02/58/19/363025819.db2.gz DAQSKKYMPSSIME-UONOGXRCSA-N 1 0 283.393 1.523 40 0 CDABRO Cc1nc([C@H]2CCC[NH2+]C2)ncc1C(=O)NC(C)C ZINC000019766884 351349633 /nfs/dbraw/zinc/34/96/33/351349633.db2.gz CAYQJSCGXPJJAR-NSHDSACASA-N 1 0 262.357 1.390 40 0 CDABRO CN(C)CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000158241233 188364990 /nfs/dbraw/zinc/36/49/90/188364990.db2.gz GNSAWOXWFUBNOK-QGZVFWFLSA-N 1 0 289.423 1.719 40 0 CDABRO [NH3+]CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000000021557 355879816 /nfs/dbraw/zinc/87/98/16/355879816.db2.gz HEMNVSCJOZIBEQ-UHFFFAOYSA-N 1 0 277.711 1.796 40 0 in-vitro CDABRO CN(C)C(On1nnc2ccc(Cl)cc21)=[N+](C)C ZINC000002540581 355974620 /nfs/dbraw/zinc/97/46/20/355974620.db2.gz ALFJRGAXCQIFQW-UHFFFAOYSA-N 1 0 268.728 1.627 40 0 CDABRO COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@]31CC[N@@H+](C)C2 ZINC000003881813 356012107 /nfs/dbraw/zinc/01/21/07/356012107.db2.gz ASUTZQLVASHGKV-HACGYAERSA-N 1 0 287.359 1.850 40 0 biogenic CDABRO [NH3+]C1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000043220482 356095778 /nfs/dbraw/zinc/09/57/78/356095778.db2.gz NXFAZCRUVYAXKV-ZDUSSCGKSA-N 1 0 254.761 1.797 40 0 CDABRO C[NH+](C)CCn1nc(-c2nccc3ccccc32)oc1=O ZINC000012154261 356288780 /nfs/dbraw/zinc/28/87/80/356288780.db2.gz IUPGCNLKNFEZQF-UHFFFAOYSA-N 1 0 284.319 1.613 40 0 CDABRO CCOC(=O)[C@H](C[NH2+]C)Cc1ccc(OC)cc1 ZINC000012649771 356316382 /nfs/dbraw/zinc/31/63/82/356316382.db2.gz PASCYLAFGHJSHW-LBPRGKRZSA-N 1 0 251.326 1.636 40 0 CDABRO [NH3+]CCN1C(=O)S/C(=C\c2ccccc2O)C1=O ZINC000016448966 356440473 /nfs/dbraw/zinc/44/04/73/356440473.db2.gz DJWSCYVQIDNDKL-YFHOEESVSA-N 1 0 264.306 1.387 40 0 CDABRO CC(C)Oc1cc(CCC(=O)N[C@H]2CCC[N@H+](C)C2)on1 ZINC000019450528 356485778 /nfs/dbraw/zinc/48/57/78/356485778.db2.gz KVPBTGWGXRMVJM-LBPRGKRZSA-N 1 0 295.383 1.605 40 0 CDABRO O=C(CC[NH+]1CCC(CO)CC1)Nc1ccccc1F ZINC000048335215 356789476 /nfs/dbraw/zinc/78/94/76/356789476.db2.gz CEIZGRITHRYRTG-UHFFFAOYSA-N 1 0 280.343 1.859 40 0 CDABRO O=C([O-])C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393343 356989682 /nfs/dbraw/zinc/98/96/82/356989682.db2.gz IFEIQTGDRPSKFT-AWEZNQCLSA-N 1 0 262.353 1.573 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079409556 356992483 /nfs/dbraw/zinc/99/24/83/356992483.db2.gz DHLNMATUWBDFFP-WDEREUQCSA-N 1 0 285.388 1.192 40 0 CDABRO COc1cccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)c1 ZINC000064875531 357235594 /nfs/dbraw/zinc/23/55/94/357235594.db2.gz HSQAFNKMFBHUNE-UHFFFAOYSA-N 1 0 258.325 1.947 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079408365 358068485 /nfs/dbraw/zinc/06/84/85/358068485.db2.gz SVGVNEVPPUPTGE-LLVKDONJSA-N 1 0 257.378 1.276 40 0 CDABRO CS(=O)(=O)c1cc(Cl)c(CC[NH3+])c(Cl)c1 ZINC000199552480 358082534 /nfs/dbraw/zinc/08/25/34/358082534.db2.gz KRXRFCIWHWULAD-UHFFFAOYSA-N 1 0 268.165 1.898 40 0 CDABRO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000061547467 358566839 /nfs/dbraw/zinc/56/68/39/358566839.db2.gz NEEJVBFLRQDPCT-UHFFFAOYSA-N 1 0 290.363 1.674 40 0 CDABRO CCOC(=O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095091738 358677610 /nfs/dbraw/zinc/67/76/10/358677610.db2.gz RNPSLRCZCCMKEJ-SNVBAGLBSA-N 1 0 272.345 1.149 40 0 CDABRO O=C(NC[C@@H]1OC[C@@H]2C[N@H+](CC3CC3)CC[C@H]12)C1CC1 ZINC000096057592 358707340 /nfs/dbraw/zinc/70/73/40/358707340.db2.gz AVNCPDUIIZAOMO-KKUMJFAQSA-N 1 0 278.396 1.260 40 0 CDABRO Fc1cnc(N2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)nc1 ZINC000096161576 358711213 /nfs/dbraw/zinc/71/12/13/358711213.db2.gz UOPJXRQVGOPWQL-BETUJISGSA-N 1 0 299.353 1.579 40 0 CDABRO O=C(c1ccncc1F)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184415 358713927 /nfs/dbraw/zinc/71/39/27/358713927.db2.gz FPUDBORNLQJQKA-LSDHHAIUSA-N 1 0 289.354 1.920 40 0 CDABRO CC[NH+](CC)[C@H]1COC[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]21 ZINC000096186815 358714825 /nfs/dbraw/zinc/71/48/25/358714825.db2.gz USNLQJNMCUPXHZ-JYJNAYRXSA-N 1 0 292.427 1.209 40 0 CDABRO Cc1ccc(C[N@H+]2CC[C@H]([NH+](C)C)C[C@@H]2C(=O)[O-])cc1 ZINC000096198693 358717189 /nfs/dbraw/zinc/71/71/89/358717189.db2.gz HQRWHMJJEVALCL-LSDHHAIUSA-N 1 0 276.380 1.974 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1nc(C)cs1)CC[C@H]2OC ZINC000096209442 358720871 /nfs/dbraw/zinc/72/08/71/358720871.db2.gz XJSKFCPAAGPFPQ-BFHYXJOUSA-N 1 0 295.452 1.993 40 0 CDABRO CO[C@H]1CCN(Cc2nccs2)[C@H]2CCO[C@@H]21 ZINC000096215701 358721312 /nfs/dbraw/zinc/72/13/12/358721312.db2.gz KXWKCRWMZADKDO-NHCYSSNCSA-N 1 0 254.355 1.521 40 0 CDABRO COCCN1C(=O)CCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096228056 358723871 /nfs/dbraw/zinc/72/38/71/358723871.db2.gz XSDUCMZEEHDTLS-UHFFFAOYSA-N 1 0 292.379 1.883 40 0 CDABRO C[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1COc2ccccc2O1 ZINC000022580951 359079666 /nfs/dbraw/zinc/07/96/66/359079666.db2.gz PGKAQCYZBLUAAE-YNEHKIRRSA-N 1 0 262.353 1.509 40 0 CDABRO CN[C@H](C(N)=O)c1cc(Br)ccc1F ZINC000037869885 359462853 /nfs/dbraw/zinc/46/28/53/359462853.db2.gz AGTOHMOOXRGRLT-QMMMGPOBSA-N 1 0 261.094 1.334 40 0 CDABRO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000028233024 359492926 /nfs/dbraw/zinc/49/29/26/359492926.db2.gz DZBXGWZQHYIHFT-MRVPVSSYSA-N 1 0 288.273 1.349 40 0 CDABRO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](C)CC[C@@]1(C)O ZINC000514289402 360125174 /nfs/dbraw/zinc/12/51/74/360125174.db2.gz KCZGGDSWEFYEHZ-SOUVJXGZSA-N 1 0 262.353 1.319 40 0 biogenic,in-vitro CDABRO O=c1[nH][nH]c2c1[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccccc1 ZINC000229941445 367490633 /nfs/dbraw/zinc/49/06/33/367490633.db2.gz BSPOJNBSPUPMFB-XBFCOCLRSA-N 1 0 255.321 1.525 40 0 CDABRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)C)C12CCOCC2 ZINC000186340342 373154896 /nfs/dbraw/zinc/15/48/96/373154896.db2.gz NAHQORQUIOKNQZ-MELADBBJSA-N 1 0 271.401 1.567 40 0 CDABRO COc1ccc(CCNC(=O)C2CC[NH2+]CC2)cc1OC ZINC000015416810 374335346 /nfs/dbraw/zinc/33/53/46/374335346.db2.gz FOTKEOBSBMHACF-UHFFFAOYSA-N 1 0 292.379 1.362 40 0 CDABRO CCC[NH+]1CCC(N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)CC1 ZINC000079002097 374755138 /nfs/dbraw/zinc/75/51/38/374755138.db2.gz PBAXIQBHPZSPSP-ZBFHGGJFSA-N 1 0 293.455 1.661 40 0 CDABRO O=C(NC[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)c1cscn1 ZINC000306138768 374970052 /nfs/dbraw/zinc/97/00/52/374970052.db2.gz SGSMZLZJGAANNJ-GXFFZTMASA-N 1 0 281.381 1.174 40 0 CDABRO c1ncn2c1C[NH2+]C[C@H](COCc1ccccn1)C2 ZINC000306140528 374972071 /nfs/dbraw/zinc/97/20/71/374972071.db2.gz UWIKDJDHMBKVOV-LBPRGKRZSA-N 1 0 258.325 1.214 40 0 CDABRO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C)C2 ZINC000096111939 375058382 /nfs/dbraw/zinc/05/83/82/375058382.db2.gz PHRFXSSBZJZJND-AAEUAGOBSA-N 1 0 276.336 1.131 40 0 biogenic,in-vitro CDABRO Cc1ccnn1CCC(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257245123 190019356 /nfs/dbraw/zinc/01/93/56/190019356.db2.gz IODKUUGJLFNXMX-LSDHHAIUSA-N 1 0 290.411 1.572 40 0 CDABRO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)CC[C@@H]1O ZINC000257247854 190019361 /nfs/dbraw/zinc/01/93/61/190019361.db2.gz JAWCGXPEYNKNGG-KBPBESRZSA-N 1 0 296.436 1.846 40 0 CDABRO CCn1cc(-c2nccnc2CC2CC[NH2+]CC2)cn1 ZINC000257249503 190020244 /nfs/dbraw/zinc/02/02/44/190020244.db2.gz JIRLBUCKIQESCF-UHFFFAOYSA-N 1 0 271.368 1.902 40 0 CDABRO COC(=O)C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000058425786 375757912 /nfs/dbraw/zinc/75/79/12/375757912.db2.gz AGMBZCOYTBEWJN-ZDUSSCGKSA-N 1 0 276.336 1.098 40 0 CDABRO CC(=O)N[C@H]1CC[C@](C[NH3+])(c2ccccc2)CC[C@@H]1O ZINC000257253736 190021201 /nfs/dbraw/zinc/02/12/01/190021201.db2.gz KABIOPXGELCUMD-JYJNAYRXSA-N 1 0 276.380 1.323 40 0 CDABRO COCC[N@@H+]1CCC[C@H](c2nccnc2Cl)C1 ZINC000257263224 190022407 /nfs/dbraw/zinc/02/24/07/190022407.db2.gz LOYPOCQMISLGSV-JTQLQIEISA-N 1 0 255.749 1.956 40 0 CDABRO Cc1n[nH]cc1-c1nccnc1CC1CC[NH2+]CC1 ZINC000257277013 190025819 /nfs/dbraw/zinc/02/58/19/190025819.db2.gz NWCKZTOZYJDXDX-UHFFFAOYSA-N 1 0 257.341 1.717 40 0 CDABRO C[N@@H+]1CCC[C@@H]2N(C(=O)Cn3ccnc3)CCC[C@@]21C ZINC000257295321 190028629 /nfs/dbraw/zinc/02/86/29/190028629.db2.gz QXWKFRWISHAPOC-ZFWWWQNUSA-N 1 0 276.384 1.358 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218556093 375856730 /nfs/dbraw/zinc/85/67/30/375856730.db2.gz SIXQGMGVEFVBGH-SRVKXCTJSA-N 1 0 273.785 1.815 40 0 CDABRO O=C1CO[C@@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2N1 ZINC000257319050 190033208 /nfs/dbraw/zinc/03/32/08/190033208.db2.gz VQLBJOSZFDVFSE-LSDHHAIUSA-N 1 0 285.347 1.257 40 0 CDABRO [NH3+]CCCOc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000218781298 375894027 /nfs/dbraw/zinc/89/40/27/375894027.db2.gz SYWPVPPTDYMPAH-UHFFFAOYSA-N 1 0 262.309 1.458 40 0 CDABRO O=C(C[NH2+]CCO)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000005043908 295519518 /nfs/dbraw/zinc/51/95/18/295519518.db2.gz NVBWINIXGYOBIG-DOOHLRMFSA-N 1 0 251.370 1.744 40 0 CDABRO CCN(C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C)C(C)=O ZINC000079417962 285082697 /nfs/dbraw/zinc/08/26/97/285082697.db2.gz VAAAUYRMXXMZQQ-KGLIPLIRSA-N 1 0 283.416 1.219 40 0 CDABRO OCC[N@H+](C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393538 285254888 /nfs/dbraw/zinc/25/48/88/285254888.db2.gz OMPQKCRADZNUCA-MRXNPFEDSA-N 1 0 260.381 1.718 40 0 CDABRO O=C(C1CC1)N1C[C@@H]2CC[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC000096246080 256832720 /nfs/dbraw/zinc/83/27/20/256832720.db2.gz MGBCSJYQBXLBHZ-LSDHHAIUSA-N 1 0 271.364 1.524 40 0 CDABRO CC(C)C[C@H](NC(=O)[C@@H](C)[NH3+])C(=O)OC(C)(C)C ZINC000001581735 390140043 /nfs/dbraw/zinc/14/00/43/390140043.db2.gz MXDWBAYBLVBWAW-ZJUUUORDSA-N 1 0 258.362 1.206 40 0 CDABRO CCN(Cc1cnn(CC)c1)C[C@H]1CCC[NH2+]C1 ZINC000096523671 390537823 /nfs/dbraw/zinc/53/78/23/390537823.db2.gz CAENFYOUFCZSIH-ZDUSSCGKSA-N 1 0 250.390 1.725 40 0 CDABRO O=C1COC2(CC[NH2+]CC2)CN1Cc1cccs1 ZINC000096531537 390541572 /nfs/dbraw/zinc/54/15/72/390541572.db2.gz JNZJYANWXRWHLO-UHFFFAOYSA-N 1 0 266.366 1.229 40 0 CDABRO CN(C)CC[NH2+]Cc1cc(-c2cccs2)nn1C ZINC000072226271 390626009 /nfs/dbraw/zinc/62/60/09/390626009.db2.gz ZMVUYTIHCNKVKB-UHFFFAOYSA-N 1 0 264.398 1.800 40 0 CDABRO Cc1ccc(C(=O)N2CCC3(C[C@@H]([NH3+])CO3)CC2)cc1 ZINC000096157245 390913345 /nfs/dbraw/zinc/91/33/45/390913345.db2.gz GWGKIFOPOZUEJM-CQSZACIVSA-N 1 0 274.364 1.717 40 0 CDABRO O=C1CC2(CC[NH2+]CC2)C(=O)N1c1ccc(F)cc1 ZINC000096157192 390913356 /nfs/dbraw/zinc/91/33/56/390913356.db2.gz QMOUSPKKSPSTIQ-UHFFFAOYSA-N 1 0 262.284 1.459 40 0 CDABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(c1ncccn1)CC2 ZINC000096206507 390913440 /nfs/dbraw/zinc/91/34/40/390913440.db2.gz VXENXUWBSNLJNX-CYBMUJFWSA-N 1 0 276.384 1.414 40 0 CDABRO COC[C@@H](O)C[N@@H+]1C[C@H](c2ccsc2)C[C@@H]1C ZINC000096421810 391189187 /nfs/dbraw/zinc/18/91/87/391189187.db2.gz CEZFHQKVRBAQLO-UHTWSYAYSA-N 1 0 255.383 1.933 40 0 CDABRO CC[C@@H]1C[N@H+](CC2(O)CCSCC2)CCCO1 ZINC000660468576 413149477 /nfs/dbraw/zinc/14/94/77/413149477.db2.gz KGGNNGAHMDKBRF-GFCCVEGCSA-N 1 0 259.415 1.745 40 0 CDABRO CSc1ncnc2c1ncn2C[NH+]1CCCCC1 ZINC000005559316 170113491 /nfs/dbraw/zinc/11/34/91/170113491.db2.gz YETBGARXBXJFOL-UHFFFAOYSA-N 1 0 263.370 1.992 40 0 CDABRO CCOc1cccc(CNCC[NH2+]C[C@@H](C)O)c1 ZINC000022075982 171351877 /nfs/dbraw/zinc/35/18/77/171351877.db2.gz ZPYPXUZASQNTFV-GFCCVEGCSA-N 1 0 252.358 1.145 40 0 CDABRO COc1ccc(OC)c([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022162128 171364324 /nfs/dbraw/zinc/36/43/24/171364324.db2.gz QTTXXVGVYBTEEU-ZOWXZIJZSA-N 1 0 294.395 1.813 40 0 CDABRO CCC[NH+](CCC)C1(Cc2cc(CO)on2)COC1 ZINC000067897718 175801185 /nfs/dbraw/zinc/80/11/85/175801185.db2.gz LQVRMQRNNAQFAP-UHFFFAOYSA-N 1 0 268.357 1.600 40 0 biogenic,in-vitro CDABRO O=C(NCc1ccccn1)c1cnc([C@H]2CCC[NH2+]C2)cn1 ZINC000072365667 176380961 /nfs/dbraw/zinc/38/09/61/176380961.db2.gz JPQPDRIXSYETFX-LBPRGKRZSA-N 1 0 297.362 1.269 40 0 CDABRO Cn1ccnc1CNc1cncc([C@@H]2CCCC[N@@H+]2C)n1 ZINC000072366228 176381314 /nfs/dbraw/zinc/38/13/14/176381314.db2.gz NWHXBBCXGXUHFE-ZDUSSCGKSA-N 1 0 286.383 1.979 40 0 CDABRO Cc1noc(C2(C)CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000072367474 176381495 /nfs/dbraw/zinc/38/14/95/176381495.db2.gz IORDLQHJOPYRED-VXGBXAGGSA-N 1 0 265.357 1.645 40 0 CDABRO COc1ccc(C[NH2+][C@H]2CCC(=O)NC2)c(Cl)c1OC ZINC000078605087 177359472 /nfs/dbraw/zinc/35/94/72/177359472.db2.gz AXJCCUXNPHYZPO-JTQLQIEISA-N 1 0 298.770 1.725 40 0 CDABRO CC(C)OCCC[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000062717770 262303150 /nfs/dbraw/zinc/30/31/50/262303150.db2.gz VNHPIIURRQSFFX-UHFFFAOYSA-N 1 0 294.399 1.218 40 0 CDABRO CC[C@@H]1COC(C)(C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000652760107 424028778 /nfs/dbraw/zinc/02/87/78/424028778.db2.gz TYPUFMAWVZQINL-VXGBXAGGSA-N 1 0 254.374 1.497 40 0 CDABRO CCN(C(=O)C[NH3+])[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079390882 276061106 /nfs/dbraw/zinc/06/11/06/276061106.db2.gz FOPFLGRUZVXQIR-VXGBXAGGSA-N 1 0 299.415 1.630 40 0 CDABRO CO[C@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096048150 277344834 /nfs/dbraw/zinc/34/48/34/277344834.db2.gz JYERAXNEXVFGKA-CQSZACIVSA-N 1 0 269.385 1.683 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCO)C1 ZINC000079407997 279004781 /nfs/dbraw/zinc/00/47/81/279004781.db2.gz INVANCCBUSPUNE-LBPRGKRZSA-N 1 0 272.389 1.700 40 0 CDABRO C[C@H](O)C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC000096073086 290085928 /nfs/dbraw/zinc/08/59/28/290085928.db2.gz FMFLOJUJFIGFMW-GXTWGEPZSA-N 1 0 269.385 1.417 40 0 CDABRO O=c1[nH][nH]c2c1[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccccc1 ZINC000245227136 334185353 /nfs/dbraw/zinc/18/53/53/334185353.db2.gz BSPOJNBSPUPMFB-KWCYVHTRSA-N 1 0 255.321 1.525 40 0 CDABRO CCOC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000052710528 520679256 /nfs/dbraw/zinc/67/92/56/520679256.db2.gz HETBVARBVHYHHU-UHFFFAOYSA-N 1 0 262.353 1.762 40 0 CDABRO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000062116222 526404008 /nfs/dbraw/zinc/40/40/08/526404008.db2.gz BKMUNOYLPPLZBU-LLVKDONJSA-N 1 0 252.745 1.608 40 0 CDABRO CC(C)[NH2+]CCc1ccc(NS(C)(=O)=O)cc1O ZINC000584578177 620788533 /nfs/dbraw/zinc/78/85/33/620788533.db2.gz MPYKFFBKIJPBSF-UHFFFAOYSA-N 1 0 272.370 1.304 40 0 CDABRO Cc1c(C)n(C)c2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc12 ZINC000585164854 342494601 /nfs/dbraw/zinc/49/46/01/342494601.db2.gz WESVUEBLIQXDJX-HNNXBMFYSA-N 1 0 287.363 1.722 40 0 CDABRO COCC[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041741 185070113 /nfs/dbraw/zinc/07/01/13/185070113.db2.gz KQIHHUURAFJDGW-ARFHVFGLSA-N 1 0 292.379 1.476 40 0 CDABRO CN1CCC2(CC[NH+](Cc3cccnc3)CC2)C1=O ZINC000096046715 185071161 /nfs/dbraw/zinc/07/11/61/185071161.db2.gz MRDBDHYOXUJLPI-UHFFFAOYSA-N 1 0 259.353 1.526 40 0 CDABRO O=C(CC1CC1)NCc1cn2c(n1)C[N@@H+](CC1CC1)CC2 ZINC000096059458 185079767 /nfs/dbraw/zinc/07/97/67/185079767.db2.gz HGWKPOOHWREMFZ-UHFFFAOYSA-N 1 0 288.395 1.525 40 0 CDABRO CNC(=O)C[N@@H+]1CC[C@@H]2CN(c3ccccc3F)C[C@@H]2C1 ZINC000096081421 185091062 /nfs/dbraw/zinc/09/10/62/185091062.db2.gz PJCCFZXACGRFLF-OLZOCXBDSA-N 1 0 291.370 1.330 40 0 CDABRO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(C)o3)C[C@@H]2C1 ZINC000096107975 185099526 /nfs/dbraw/zinc/09/95/26/185099526.db2.gz XICHCSRRJTXHMH-GOEBONIOSA-N 1 0 294.395 1.367 40 0 CDABRO COc1ccc(CN2CCO[C@H]3C[NH2+]CC[C@H]3C2=O)cc1 ZINC000096107164 185099600 /nfs/dbraw/zinc/09/96/00/185099600.db2.gz CGBNEUIZBZOVAV-CABCVRRESA-N 1 0 290.363 1.032 40 0 CDABRO c1cncc(CN2C[C@H]3C[NH+](CC4CC4)C[C@@H]3C2)c1 ZINC000096110638 185101058 /nfs/dbraw/zinc/10/10/58/185101058.db2.gz BAWMYWGYJPVUOM-HZPDHXFCSA-N 1 0 257.381 1.855 40 0 CDABRO CC(C)CCN1C[C@H]2CC[NH2+]CC[C@H]2S1(=O)=O ZINC000096145545 185106310 /nfs/dbraw/zinc/10/63/10/185106310.db2.gz ZYMLNWLVBVLRRA-VXGBXAGGSA-N 1 0 260.403 1.046 40 0 CDABRO Fc1cccnc1OC[C@@H]1CCn2nccc2C[NH2+]1 ZINC000585097200 342211813 /nfs/dbraw/zinc/21/18/13/342211813.db2.gz IRKNKZSAGGAICW-JTQLQIEISA-N 1 0 262.288 1.358 40 0 CDABRO CCn1nccc1-c1cc(CC2CC[NH2+]CC2)ncn1 ZINC000585180115 342232489 /nfs/dbraw/zinc/23/24/89/342232489.db2.gz BFVFOVJOHRVJJO-UHFFFAOYSA-N 1 0 271.368 1.902 40 0 CDABRO CN(C)C(=O)CC[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000585276378 342256279 /nfs/dbraw/zinc/25/62/79/342256279.db2.gz NYFCYNPSOZBGQU-KRWDZBQOSA-N 1 0 290.407 1.882 40 0 CDABRO Cc1cnn(C)c1C[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC000585282103 342258432 /nfs/dbraw/zinc/25/84/32/342258432.db2.gz AJDVZTMUFUFLOF-CQSZACIVSA-N 1 0 263.341 1.400 40 0 CDABRO CO[C@@H]1COC[C@@H](N(C)Cc2ccccc2F)[C@@H]1O ZINC000585290806 342258917 /nfs/dbraw/zinc/25/89/17/342258917.db2.gz GNAWELDLXJWVSJ-MCIONIFRSA-N 1 0 269.316 1.032 40 0 CDABRO O=C(Cc1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257718059 362631720 /nfs/dbraw/zinc/63/17/20/362631720.db2.gz VCIVZSBYAGAYFW-MRXNPFEDSA-N 1 0 258.365 1.831 40 0 CDABRO CCOc1ccccc1[C@@H](O)C1(C[NH3+])CCOCC1 ZINC000085395747 179049223 /nfs/dbraw/zinc/04/92/23/179049223.db2.gz XRTYHRSRYKTKBZ-CQSZACIVSA-N 1 0 265.353 1.874 40 0 CDABRO O=C1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)N1c1cncnc1 ZINC000107800245 186190891 /nfs/dbraw/zinc/19/08/91/186190891.db2.gz XJBGVXAKVUSHQZ-HUUCEWRRSA-N 1 0 295.346 1.251 40 0 CDABRO C[C@@H]1CN(C(=O)NCC2=CCCCC2)C[C@H](C)[N@H+]1CCO ZINC000333981461 363305624 /nfs/dbraw/zinc/30/56/24/363305624.db2.gz ASMLHRFISYMMLP-OKILXGFUSA-N 1 0 295.427 1.583 40 0 CDABRO C1=C[C@@H]2C[C@H]1[C@@H]1C[N@H+](CCCN3CCOCC3)C[C@@H]21 ZINC000005848139 356061755 /nfs/dbraw/zinc/06/17/55/356061755.db2.gz OGOKAEYVYPCQOA-FZKCQIBNSA-N 1 0 262.397 1.463 40 0 CDABRO CC(C)(C)OC(=O)NCC1CCN(CC[NH3+])CC1 ZINC000026896430 356830756 /nfs/dbraw/zinc/83/07/56/356830756.db2.gz TTWADLIWBCFERQ-UHFFFAOYSA-N 1 0 257.378 1.182 40 0 CDABRO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)C[NH3+] ZINC000079415161 356994053 /nfs/dbraw/zinc/99/40/53/356994053.db2.gz GEMGMSIYTUDBGY-AWEZNQCLSA-N 1 0 261.369 1.068 40 0 CDABRO CCN(CC)CC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219084 357154022 /nfs/dbraw/zinc/15/40/22/357154022.db2.gz KZZBBSLEFOWKNR-GFCCVEGCSA-N 1 0 258.406 1.896 40 0 CDABRO O=c1ccc(-c2ccc(F)cc2)nn1C[C@@H]1CCC[NH2+]1 ZINC000013566095 357176301 /nfs/dbraw/zinc/17/63/01/357176301.db2.gz DEODAFOEMMNZGZ-ZDUSSCGKSA-N 1 0 273.311 1.801 40 0 CDABRO C[C@@H]1C[NH2+]CCN1C(=O)COc1ccc(Cl)cc1 ZINC000054369768 357318598 /nfs/dbraw/zinc/31/85/98/357318598.db2.gz SMSOPCSUBLRHEC-SNVBAGLBSA-N 1 0 268.744 1.539 40 0 CDABRO CNC(=O)[C@]1(C)C[N@@H+](C2CCCCCC2)CCO1 ZINC000072379690 357830592 /nfs/dbraw/zinc/83/05/92/357830592.db2.gz RYFFUGPWMJVHKD-AWEZNQCLSA-N 1 0 254.374 1.546 40 0 CDABRO O=c1cc2c(nn1Cc1ccccc1F)CC[NH2+]C2 ZINC000063169752 358569628 /nfs/dbraw/zinc/56/96/28/358569628.db2.gz MZBLQKOOFPWARP-UHFFFAOYSA-N 1 0 259.284 1.076 40 0 CDABRO c1cc(C[N@H+]2C[C@H](OCC3CC3)[C@H]3COC[C@H]32)ccn1 ZINC000096185027 358714299 /nfs/dbraw/zinc/71/42/99/358714299.db2.gz ZZPUKIUMYQRRGD-XHSDSOJGSA-N 1 0 274.364 1.707 40 0 CDABRO c1cc(C[N@H+]2CCc3ncc(Cn4cncn4)n3CC2)co1 ZINC000096196981 358716547 /nfs/dbraw/zinc/71/65/47/358716547.db2.gz HSVNXGZSSYCJHP-UHFFFAOYSA-N 1 0 298.350 1.174 40 0 CDABRO C[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000096218469 358722298 /nfs/dbraw/zinc/72/22/98/358722298.db2.gz FDVWGPZDLZUXAK-DOTOQJQBSA-N 1 0 292.423 1.603 40 0 CDABRO CC[N@@H+]1CCO[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096220570 358723297 /nfs/dbraw/zinc/72/32/97/358723297.db2.gz JYGJUHXRUUIVRJ-DZGCQCFKSA-N 1 0 261.369 1.234 40 0 CDABRO Cc1cccc(C[N@H+]2CC[C@]3(C[C@@H]3C(=O)N(C)C)C2)n1 ZINC000096228626 358724113 /nfs/dbraw/zinc/72/41/13/358724113.db2.gz SYWZZOGEMGYICF-ZBFHGGJFSA-N 1 0 273.380 1.690 40 0 CDABRO Cn1cccc1C[N@@H+]1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1 ZINC000096245171 358725433 /nfs/dbraw/zinc/72/54/33/358725433.db2.gz UWDHUJCDIMAMQO-BBRMVZONSA-N 1 0 296.374 1.515 40 0 CDABRO O=C(NCCc1c[nH]c2ccccc12)[C@]12C[C@H]1C[NH2+]CC2 ZINC000096268463 358730957 /nfs/dbraw/zinc/73/09/57/358730957.db2.gz CHALLKJGHPLNIQ-SUMWQHHRSA-N 1 0 283.375 1.826 40 0 CDABRO O=C1C[C@@]2(CC[NH2+]C2)CN1c1ccc(F)c(F)c1 ZINC000306126661 367314561 /nfs/dbraw/zinc/31/45/61/367314561.db2.gz FBFSQUPLFVVFGD-CYBMUJFWSA-N 1 0 252.264 1.681 40 0 CDABRO Cc1cc(OC[C@@H](O)C[NH2+]C(C)(C)CO)ccc1Cl ZINC000026781300 373918356 /nfs/dbraw/zinc/91/83/56/373918356.db2.gz VEUZLCUABUMDSG-NSHDSACASA-N 1 0 287.787 1.749 40 0 CDABRO Cc1ccc(OC[C@H](O)CN2CCC[NH2+]CC2)cc1 ZINC000064875914 374240318 /nfs/dbraw/zinc/24/03/18/374240318.db2.gz AOPATLMJOOCVIE-CQSZACIVSA-N 1 0 264.369 1.030 40 0 CDABRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)Cc1cccc(F)c1 ZINC000225478109 374484305 /nfs/dbraw/zinc/48/43/05/374484305.db2.gz SFCSLYPRVYSUOU-ZDUSSCGKSA-N 1 0 288.388 1.619 40 0 CDABRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@H](C)[C@@H]1CO ZINC000225513304 374627874 /nfs/dbraw/zinc/62/78/74/374627874.db2.gz JLLDCPOUFIYUEK-ZNMIVQPWSA-N 1 0 297.443 1.663 40 0 CDABRO Fc1cccnc1OC[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC000306125846 374968212 /nfs/dbraw/zinc/96/82/12/374968212.db2.gz DDQCHXUZIZJUJB-OCCSQVGLSA-N 1 0 266.316 1.758 40 0 CDABRO Cc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000027932605 375163067 /nfs/dbraw/zinc/16/30/67/375163067.db2.gz WOFKQVMFAMGTIH-NSHDSACASA-N 1 0 250.367 1.977 40 0 CDABRO C[N@@H+]1CCC[C@](CCCc2ccncc2)(C(N)=O)C1 ZINC000257201115 190010525 /nfs/dbraw/zinc/01/05/25/190010525.db2.gz AGJFLBSCXXUWDA-HNNXBMFYSA-N 1 0 261.369 1.602 40 0 CDABRO COc1ccc(-c2ccc3nnc([C@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217558871 375671445 /nfs/dbraw/zinc/67/14/45/375671445.db2.gz KLZLZEQSSWFNIS-LBPRGKRZSA-N 1 0 295.346 1.877 40 0 CDABRO CC1(c2ncc(Cl)s2)CCN(C(=O)C[NH3+])CC1 ZINC000257227563 190015384 /nfs/dbraw/zinc/01/53/84/190015384.db2.gz FPXUZQBDGZONGA-UHFFFAOYSA-N 1 0 273.789 1.635 40 0 CDABRO O[C@@H]1CCCOC12CC[NH+](Cc1cncs1)CC2 ZINC000257262223 190022224 /nfs/dbraw/zinc/02/22/24/190022224.db2.gz LKQVGUJUEDGGLI-GFCCVEGCSA-N 1 0 268.382 1.649 40 0 CDABRO Cc1ncc(-c2cncc([C@@H]3CCC[NH2+]C3)n2)n1C ZINC000257272601 190024830 /nfs/dbraw/zinc/02/48/30/190024830.db2.gz NDAPRUKQENAEQZ-LLVKDONJSA-N 1 0 257.341 1.653 40 0 CDABRO C[C@]12CCCN(C(=O)Cn3cccn3)[C@@H]1CCC[NH2+]2 ZINC000257306218 190031128 /nfs/dbraw/zinc/03/11/28/190031128.db2.gz STIQJVJXTUXAGL-OCCSQVGLSA-N 1 0 262.357 1.016 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@@H]1c1cccc(F)c1 ZINC000218618340 375862732 /nfs/dbraw/zinc/86/27/32/375862732.db2.gz XVEKETYUKFVLJG-SDDRHHMPSA-N 1 0 257.330 1.301 40 0 CDABRO COc1cccc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c1F ZINC000257344736 190037823 /nfs/dbraw/zinc/03/78/23/190037823.db2.gz ZYMARGQCMHRKTN-HOCLYGCPSA-N 1 0 295.354 1.950 40 0 CDABRO CC(C)[N@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccc(F)cc1 ZINC000067897193 377286685 /nfs/dbraw/zinc/28/66/85/377286685.db2.gz GXFZIPWPBVOUHM-CABCVRRESA-N 1 0 292.354 1.646 40 0 biogenic,in-vitro CDABRO C[C@H](C(=O)NC[C@@H](C)C[C@H](C)O)[NH+]1CCCCCC1 ZINC000073914299 378857976 /nfs/dbraw/zinc/85/79/76/378857976.db2.gz UCPWUTNGQFGRQB-MELADBBJSA-N 1 0 270.417 1.774 40 0 CDABRO O=C1CCCC(=O)N1[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005382570 296316849 /nfs/dbraw/zinc/31/68/49/296316849.db2.gz RIXNCQKSTKRRRI-RYUDHWBXSA-N 1 0 250.342 1.542 40 0 biogenic,in-vitro CDABRO O=C1c2cccn2[C@H]2C[NH2+]C[C@@H]2N1Cc1cccs1 ZINC000306128607 285026436 /nfs/dbraw/zinc/02/64/36/285026436.db2.gz HGCDAORTRBAFIU-STQMWFEESA-N 1 0 273.361 1.719 40 0 CDABRO COCCn1cnnc1[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000072359879 285194686 /nfs/dbraw/zinc/19/46/86/285194686.db2.gz DMQJZFPJQKXYRK-GFCCVEGCSA-N 1 0 252.362 1.512 40 0 CDABRO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)C[NH+](C)C ZINC000019130399 390226243 /nfs/dbraw/zinc/22/62/43/390226243.db2.gz FVJJFTZQMCAOAF-YPMHNXCESA-N 1 0 299.378 1.188 40 0 CDABRO CCCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccccc1 ZINC000055112090 390488707 /nfs/dbraw/zinc/48/87/07/390488707.db2.gz YTYFYSXDNUDVKJ-KGLIPLIRSA-N 1 0 282.409 1.654 40 0 CDABRO [NH3+][C@@H]1CCN(c2cc(-c3ccc(F)cc3)ncn2)C1 ZINC000096516869 390531474 /nfs/dbraw/zinc/53/14/74/390531474.db2.gz ZMSBQVHAKUEVHD-GFCCVEGCSA-N 1 0 258.300 1.820 40 0 CDABRO [NH3+]CCn1cccc1-c1nc(-c2ccncc2)no1 ZINC000096517056 390531741 /nfs/dbraw/zinc/53/17/41/390531741.db2.gz KKLHJDNLFSKWOP-UHFFFAOYSA-N 1 0 255.281 1.559 40 0 CDABRO O=CN1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216210 390621333 /nfs/dbraw/zinc/62/13/33/390621333.db2.gz QRAYAMHKBKZHBO-CYBMUJFWSA-N 1 0 261.325 1.212 40 0 CDABRO Cc1c[nH]nc1[C@H]1CCCN1c1cc(C)[nH+]c(N)n1 ZINC000072388629 390935117 /nfs/dbraw/zinc/93/51/17/390935117.db2.gz SOJONISSYDIRIA-SNVBAGLBSA-N 1 0 258.329 1.740 40 0 CDABRO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCOCC2)O1 ZINC000096057330 390912471 /nfs/dbraw/zinc/91/24/71/390912471.db2.gz CILXONZQQBKPDG-KFWWJZLASA-N 1 0 296.411 1.123 40 0 CDABRO Cc1ccc(NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000096157264 390913334 /nfs/dbraw/zinc/91/33/34/390913334.db2.gz LUUZUQLVCFQFKL-OAHLLOKOSA-N 1 0 273.336 1.832 40 0 CDABRO O=C1NCCN1CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000336811545 392100879 /nfs/dbraw/zinc/10/08/79/392100879.db2.gz NKBRIBIYGICLCV-ZDUSSCGKSA-N 1 0 260.341 1.244 40 0 CDABRO COc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1OC ZINC000004713083 170003859 /nfs/dbraw/zinc/00/38/59/170003859.db2.gz YMLKPRALEGPJBK-LLVKDONJSA-N 1 0 264.325 1.784 40 0 CDABRO Cc1cc(C)[n+](Cc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000005538110 170110439 /nfs/dbraw/zinc/11/04/39/170110439.db2.gz AYRPMTMUTOODTE-UHFFFAOYSA-N 1 0 291.396 1.595 40 0 CDABRO C[NH+](C)CCCNC(=S)NCc1ccccc1 ZINC000005878978 170149498 /nfs/dbraw/zinc/14/94/98/170149498.db2.gz KUSZJUKOMKGPQS-UHFFFAOYSA-N 1 0 251.399 1.602 40 0 CDABRO CCCCC[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000006427711 170200431 /nfs/dbraw/zinc/20/04/31/170200431.db2.gz FEVURMWHFPBGNN-UHFFFAOYSA-N 1 0 280.368 1.839 40 0 CDABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H](C)O1 ZINC000022161866 171364215 /nfs/dbraw/zinc/36/42/15/171364215.db2.gz LKAVRIRVSFRCHU-GYSYKLTISA-N 1 0 252.333 1.935 40 0 CDABRO [NH3+]C1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000037408995 173184276 /nfs/dbraw/zinc/18/42/76/173184276.db2.gz DGZXEQYUHFTOED-UHFFFAOYSA-N 1 0 264.760 1.911 40 0 CDABRO CC[N@@H+]1CCC[C@@](O)(CNCc2ccc3c(c2)OCO3)C1 ZINC000046087459 175391938 /nfs/dbraw/zinc/39/19/38/175391938.db2.gz WXKCFHMOMCMXJD-MRXNPFEDSA-N 1 0 292.379 1.352 40 0 CDABRO C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2)CC[NH2+]1 ZINC000062664789 175670993 /nfs/dbraw/zinc/67/09/93/175670993.db2.gz WBQCLHCWZXZFBC-SNVBAGLBSA-N 1 0 268.744 1.539 40 0 CDABRO O=C(N[C@@H]1CCC[NH2+]C1)c1nccc2ccccc21 ZINC000071396958 176150175 /nfs/dbraw/zinc/15/01/75/176150175.db2.gz HGWSKJKSFOYRIU-GFCCVEGCSA-N 1 0 255.321 1.717 40 0 CDABRO CN(C)C(=O)[C@@]1(C)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000072355266 176374810 /nfs/dbraw/zinc/37/48/10/176374810.db2.gz GOHZYACPGIPWCY-AWEZNQCLSA-N 1 0 264.373 1.110 40 0 CDABRO Cn1ccnc1CNc1cncc([C@H]2CCCC[N@@H+]2C)n1 ZINC000072366229 176381057 /nfs/dbraw/zinc/38/10/57/176381057.db2.gz NWHXBBCXGXUHFE-CYBMUJFWSA-N 1 0 286.383 1.979 40 0 CDABRO C[N@@H+]1CCC[C@H](Cc2cncc(C(=O)NC3CC3)c2)C1 ZINC000072369335 176384220 /nfs/dbraw/zinc/38/42/20/176384220.db2.gz QEVSYBRFOFTOTN-GFCCVEGCSA-N 1 0 273.380 1.858 40 0 CDABRO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000072370004 176384230 /nfs/dbraw/zinc/38/42/30/176384230.db2.gz LHNABXJTALOKTQ-ZDUSSCGKSA-N 1 0 299.378 1.496 40 0 CDABRO OCCN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000077247108 424185959 /nfs/dbraw/zinc/18/59/59/424185959.db2.gz JODZKJNKLSHRMK-UHFFFAOYSA-N 1 0 282.815 1.883 40 0 CDABRO O=C(Cc1cccnc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000096157668 265332912 /nfs/dbraw/zinc/33/29/12/265332912.db2.gz FNCIRBLFBKOVCU-UHFFFAOYSA-N 1 0 259.353 1.226 40 0 CDABRO O=C(NCc1cccs1)[C@H]1C[NH2+]CC12CCOCC2 ZINC000096241130 265346052 /nfs/dbraw/zinc/34/60/52/265346052.db2.gz LBVGQZRBHVRZIO-GFCCVEGCSA-N 1 0 280.393 1.381 40 0 CDABRO CC[NH+]1CCC(O)([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000001734011 276152472 /nfs/dbraw/zinc/15/24/72/276152472.db2.gz RBVVLZFGQZUYFP-AWEZNQCLSA-N 1 0 277.364 1.790 40 0 CDABRO C[C@H]([NH3+])C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391200 278223817 /nfs/dbraw/zinc/22/38/17/278223817.db2.gz AJNBCMCHPDRBQB-WDEREUQCSA-N 1 0 285.388 1.097 40 0 CDABRO C[NH+](C)C[C@H]1COCCN1C(=O)Cc1ccccc1Cl ZINC000085470108 289218784 /nfs/dbraw/zinc/21/87/84/289218784.db2.gz ANUWSDMQBRZDGN-ZDUSSCGKSA-N 1 0 296.798 1.672 40 0 CDABRO COC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000134794158 293162725 /nfs/dbraw/zinc/16/27/25/293162725.db2.gz GHLLPYBTIIODOB-FQUUOJAGSA-N 1 0 251.370 1.959 40 0 CDABRO CC(C)(C)c1ccc(CN2CC[C@H](C[NH3+])S2(=O)=O)cc1 ZINC000260769281 328066086 /nfs/dbraw/zinc/06/60/86/328066086.db2.gz LHBKZNDAWXZZQW-CQSZACIVSA-N 1 0 296.436 1.847 40 0 CDABRO NC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000166771689 482843981 /nfs/dbraw/zinc/84/39/81/482843981.db2.gz SCBLXQAXDOWFIH-CYBMUJFWSA-N 1 0 271.320 1.371 40 0 CDABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072793586 567903239 /nfs/dbraw/zinc/90/32/39/567903239.db2.gz BHQNAKIHLCMYIZ-NSHDSACASA-N 1 0 261.325 1.066 40 0 CDABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](O)Cc1ccccc1)C2 ZINC000100900401 1174640168 /nfs/dbraw/zinc/64/01/68/1174640168.db2.gz FNRXUEYLFZLOEZ-QKPAOTATSA-N 1 0 289.375 1.758 40 0 in-vitro CDABRO C[C@]1(C(=O)NCc2cscc2Cl)C[NH2+]CCO1 ZINC001548449092 967500296 /nfs/dbraw/zinc/50/02/96/967500296.db2.gz WGWHXUJKXWMVSD-LLVKDONJSA-N 1 0 274.773 1.396 40 0 CDABRO CN(C)C(=O)[C@@H]1C[C@]2(CO1)CCC[N@H+](Cc1ccco1)C2 ZINC000096048876 185072509 /nfs/dbraw/zinc/07/25/09/185072509.db2.gz DWKSADKZWDYAEX-GOEBONIOSA-N 1 0 292.379 1.739 40 0 CDABRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(F)cc1 ZINC000096063940 185084081 /nfs/dbraw/zinc/08/40/81/185084081.db2.gz FHFKWOQIFGGNDT-STQMWFEESA-N 1 0 284.356 1.293 40 0 CDABRO CC(C)C[NH+]1CC2(C1)CCN(C(=O)c1cscn1)C2 ZINC000096070757 185086836 /nfs/dbraw/zinc/08/68/36/185086836.db2.gz HXCDICQOAUHMAX-UHFFFAOYSA-N 1 0 279.409 1.947 40 0 CDABRO COc1ccccc1CN1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000096108263 185100074 /nfs/dbraw/zinc/10/00/74/185100074.db2.gz VDWKHEITQGTPBA-WBVHZDCISA-N 1 0 290.407 1.705 40 0 CDABRO Cc1cccc(CN2Cc3ccnn3CC[C@@H]2CO)n1 ZINC000585098400 342212027 /nfs/dbraw/zinc/21/20/27/342212027.db2.gz XMQVMGGHGIPGJK-OAHLLOKOSA-N 1 0 272.352 1.353 40 0 CDABRO C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104100 342212467 /nfs/dbraw/zinc/21/24/67/342212467.db2.gz JBARUBIYIVRRAO-INIZCTEOSA-N 1 0 274.364 1.367 40 0 CDABRO CC[NH+](CC)CCNC(=O)c1c(N)cnn1C(C)C ZINC000685936132 539098970 /nfs/dbraw/zinc/09/89/70/539098970.db2.gz GJOKGUWMOGQCFB-UHFFFAOYSA-N 1 0 267.377 1.118 40 0 CDABRO CC(=O)N1CCC[C@H]([NH3+])[C@@H]1Cc1ccc(F)cc1 ZINC000585269223 342254545 /nfs/dbraw/zinc/25/45/45/342254545.db2.gz MBKHLZGDCQEUTK-KBPBESRZSA-N 1 0 250.317 1.706 40 0 CDABRO CN(C)C(=O)CC[C@@]1(O)CCC[N@H+](Cc2ccccn2)C1 ZINC000585276056 342256234 /nfs/dbraw/zinc/25/62/34/342256234.db2.gz LNUSZTUXVWPUNO-INIZCTEOSA-N 1 0 291.395 1.277 40 0 CDABRO O[C@@]1(COc2cccc(F)c2)COCC[N@@H+](C2CCC2)C1 ZINC000585284279 342258589 /nfs/dbraw/zinc/25/85/89/342258589.db2.gz WNZHHISZDTVASZ-MRXNPFEDSA-N 1 0 295.354 1.820 40 0 CDABRO O=C(c1ccco1)N1CC[N@@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000247822708 362133323 /nfs/dbraw/zinc/13/33/23/362133323.db2.gz IAXBEFAQFSYVPF-UONOGXRCSA-N 1 0 290.363 1.605 40 0 CDABRO C[N@@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccc[nH]c1=O ZINC000257258504 362580661 /nfs/dbraw/zinc/58/06/61/362580661.db2.gz KUHGDBXRCYATMA-ZIAGYGMSSA-N 1 0 289.379 1.876 40 0 CDABRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[S@](C)=O)CC2 ZINC000211268397 345438929 /nfs/dbraw/zinc/43/89/29/345438929.db2.gz AILYWZGCDXMZSV-LCCAYYTGSA-N 1 0 281.421 1.909 40 0 CDABRO c1ccc(COC[C@]23CCCO[C@@H]2CC[NH2+]C3)nc1 ZINC000306143475 201845764 /nfs/dbraw/zinc/84/57/64/201845764.db2.gz YDBHIZUJFQLFHF-HUUCEWRRSA-N 1 0 262.353 1.757 40 0 CDABRO Fc1cccc(Cc2nsc(N3CC[NH2+]CC3)n2)c1 ZINC000034839820 348745314 /nfs/dbraw/zinc/74/53/14/348745314.db2.gz ZOTMIGZRLBBMHQ-UHFFFAOYSA-N 1 0 278.356 1.678 40 0 CDABRO COCCOc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062114375 363011106 /nfs/dbraw/zinc/01/11/06/363011106.db2.gz IWGRIPGCZCENIR-LLVKDONJSA-N 1 0 264.325 1.260 40 0 CDABRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000157782606 188338198 /nfs/dbraw/zinc/33/81/98/188338198.db2.gz KGBQMIWFESCUES-AAEUAGOBSA-N 1 0 285.384 1.924 40 0 CDABRO O=C(c1cc[n+](CCc2ccccc2)cc1)N1CCOCC1 ZINC000001845570 355953373 /nfs/dbraw/zinc/95/33/73/355953373.db2.gz FIXAMEHTNUHWHD-UHFFFAOYSA-N 1 0 297.378 1.689 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC000004476514 356031954 /nfs/dbraw/zinc/03/19/54/356031954.db2.gz RVGUQPGNMZYGQO-ZDUSSCGKSA-N 1 0 275.352 1.226 40 0 CDABRO COc1cccc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)c1 ZINC000019286444 356479714 /nfs/dbraw/zinc/47/97/14/356479714.db2.gz DCGZQPXKPOXLBG-UHFFFAOYSA-N 1 0 299.374 1.688 40 0 CDABRO c1ccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)nc1 ZINC000019401872 356484154 /nfs/dbraw/zinc/48/41/54/356484154.db2.gz AMEUGNSHBJKPDF-MRXNPFEDSA-N 1 0 295.390 1.854 40 0 CDABRO CC[N@H+](CCO)C1CCN(Cc2ccccc2)CC1 ZINC000079393515 356989380 /nfs/dbraw/zinc/98/93/80/356989380.db2.gz LIPHVBWAPJPGRY-UHFFFAOYSA-N 1 0 262.397 1.965 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)CC(=O)c1cccs1 ZINC000079436331 356996548 /nfs/dbraw/zinc/99/65/48/356996548.db2.gz KZQMMQKRJPUZGA-NSHDSACASA-N 1 0 254.355 1.373 40 0 CDABRO O=C(COC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCOCC1 ZINC000000035447 357751562 /nfs/dbraw/zinc/75/15/62/357751562.db2.gz UZCRBOXJXRSIAX-GJZGRUSLSA-N 1 0 296.411 1.126 40 0 CDABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397380 357832930 /nfs/dbraw/zinc/83/29/30/357832930.db2.gz BCHDRTJILNPJNE-ZIAGYGMSSA-N 1 0 290.411 1.791 40 0 CDABRO CC(=O)N1CC2(C1)C[C@H](COCc1ccccn1)C[N@H+]2C ZINC000585093880 358099144 /nfs/dbraw/zinc/09/91/44/358099144.db2.gz MLSVWYLVWFDIAD-AWEZNQCLSA-N 1 0 289.379 1.151 40 0 CDABRO COC[C@@H]1C[N@H+](CC2CC2)C2(CN(c3ncccn3)C2)C1 ZINC000585094008 358099806 /nfs/dbraw/zinc/09/98/06/358099806.db2.gz YWQWRUDXHVZSAD-AWEZNQCLSA-N 1 0 288.395 1.414 40 0 CDABRO [NH3+]C[C@H](O)COCc1ccc(Br)c(Cl)c1 ZINC000095096220 366433294 /nfs/dbraw/zinc/43/32/94/366433294.db2.gz RXHAFZDQPAQWAL-QMMMGPOBSA-N 1 0 294.576 1.939 40 0 CDABRO O=C(NCC1CC1)[C@@H]1C[N@H+](CC2CC2)CC12CCOCC2 ZINC000096052161 358707293 /nfs/dbraw/zinc/70/72/93/358707293.db2.gz WSRYZEBDAXREJG-HNNXBMFYSA-N 1 0 292.423 1.651 40 0 CDABRO COCC[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161705 358710899 /nfs/dbraw/zinc/71/08/99/358710899.db2.gz AUHKIJTUGAUOEC-GASCZTMLSA-N 1 0 278.371 1.836 40 0 CDABRO COCCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1Cc1ccccc1 ZINC000096200803 358718157 /nfs/dbraw/zinc/71/81/57/358718157.db2.gz HBSCYSISPHRDRW-CVEARBPZSA-N 1 0 290.407 1.797 40 0 CDABRO O[C@H]1CC[N@H+](CC2CCOCC2)[C@H]1Cc1cccnc1 ZINC000096200468 358718600 /nfs/dbraw/zinc/71/86/00/358718600.db2.gz ONAKSKKLQIRCJG-HOTGVXAUSA-N 1 0 276.380 1.486 40 0 CDABRO O=C(COC[C@@]12CCC[C@@H]1C[NH2+]C2)N1CCCC1 ZINC000096208908 358720078 /nfs/dbraw/zinc/72/00/78/358720078.db2.gz BRTNOVRYJTWLRV-OCCSQVGLSA-N 1 0 252.358 1.015 40 0 CDABRO C[NH+]1CCC2(C[C@H](NC(=O)c3ccccn3)CO2)CC1 ZINC000096221173 358723242 /nfs/dbraw/zinc/72/32/42/358723242.db2.gz WAKKGMXMCGFKQG-LBPRGKRZSA-N 1 0 275.352 1.065 40 0 CDABRO OCC[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096239816 358724937 /nfs/dbraw/zinc/72/49/37/358724937.db2.gz RWGQXEWBUALLBJ-ZDUSSCGKSA-N 1 0 298.337 1.006 40 0 CDABRO [NH3+]CC(=O)N1CCc2sc(Br)cc2C1 ZINC000095097550 366512803 /nfs/dbraw/zinc/51/28/03/366512803.db2.gz JLAYOEOSHDIDPX-UHFFFAOYSA-N 1 0 275.171 1.354 40 0 CDABRO CCNC(=S)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225212015 359559794 /nfs/dbraw/zinc/55/97/94/359559794.db2.gz JMTFDXMGODUQNU-UHFFFAOYSA-N 1 0 289.448 1.666 40 0 CDABRO CCCCO[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1(C)C ZINC000095407259 360581140 /nfs/dbraw/zinc/58/11/40/360581140.db2.gz PYFLVOMQWNGHTF-UPJWGTAASA-N 1 0 268.401 1.791 40 0 CDABRO CCN(C(C)=O)C1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000079417977 284263166 /nfs/dbraw/zinc/26/31/66/284263166.db2.gz WHPDOPYAWKRBIG-RUXDESIVSA-N 1 0 283.416 1.266 40 0 CDABRO COc1ccc(C[C@@H]([NH3+])C(=O)NCc2ccccc2)cc1 ZINC000001594230 373656274 /nfs/dbraw/zinc/65/62/74/373656274.db2.gz SUDQUNYKYSUYOA-MRXNPFEDSA-N 1 0 284.359 1.881 40 0 CDABRO CCNC(=O)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC000206766466 374199248 /nfs/dbraw/zinc/19/92/48/374199248.db2.gz LCMMARLXRVQQBQ-UHFFFAOYSA-N 1 0 269.389 1.291 40 0 CDABRO C[C@@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCC[NH2+]1 ZINC000079520240 374822358 /nfs/dbraw/zinc/82/23/58/374822358.db2.gz RDLNWYILECXCCP-INIZCTEOSA-N 1 0 289.379 1.604 40 0 CDABRO C[NH+](C)CCNC(=O)c1ccnc(O[C@@H]2CCSC2)c1 ZINC000225719029 375189092 /nfs/dbraw/zinc/18/90/92/375189092.db2.gz FHYQIGJEXLTCTC-GFCCVEGCSA-N 1 0 295.408 1.257 40 0 CDABRO C[NH+]1CCC(C(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)CC1 ZINC000257205972 190011232 /nfs/dbraw/zinc/01/12/32/190011232.db2.gz BBIAWDDWZBEZJL-FMKPAKJESA-N 1 0 280.412 1.480 40 0 CDABRO COc1ccc(-c2ccc3nnc([C@H](C)[NH3+])n3n2)cc1OC ZINC000217554952 375670864 /nfs/dbraw/zinc/67/08/64/375670864.db2.gz UCVHKBVNTNCPPD-VIFPVBQESA-N 1 0 299.334 1.828 40 0 CDABRO C[NH2+]CC(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ncccn1 ZINC000257204371 190011592 /nfs/dbraw/zinc/01/15/92/190011592.db2.gz AUGHETWBBDFYCG-MGPQQGTHSA-N 1 0 288.395 1.113 40 0 CDABRO Cc1n[nH]c(C)c1-c1cnc(C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000257212634 190013021 /nfs/dbraw/zinc/01/30/21/190013021.db2.gz CEHDDLFYROJRLC-LBPRGKRZSA-N 1 0 271.368 1.978 40 0 CDABRO CCNC(=O)c1cnc(C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257241130 190018316 /nfs/dbraw/zinc/01/83/16/190018316.db2.gz HWRQIIXXWVPGFA-NSHDSACASA-N 1 0 262.357 1.111 40 0 CDABRO Cn1cc(-c2nccnc2CC2CC[NH2+]CC2)cn1 ZINC000257240101 190018504 /nfs/dbraw/zinc/01/85/04/190018504.db2.gz HSBDYYQGKNPVAW-UHFFFAOYSA-N 1 0 257.341 1.419 40 0 CDABRO CCn1cc(C[N@@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)n1 ZINC000257270249 190023828 /nfs/dbraw/zinc/02/38/28/190023828.db2.gz MTIDRIVLMLRQCB-HOTGVXAUSA-N 1 0 293.411 1.981 40 0 CDABRO O[C@H]1CCCOC12CC[NH+](Cc1cncs1)CC2 ZINC000257262224 190022172 /nfs/dbraw/zinc/02/21/72/190022172.db2.gz LKQVGUJUEDGGLI-LBPRGKRZSA-N 1 0 268.382 1.649 40 0 CDABRO CCn1cc(C[N@@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)cn1 ZINC000257287849 190027387 /nfs/dbraw/zinc/02/73/87/190027387.db2.gz PRSZGLSKPYVUSL-GJZGRUSLSA-N 1 0 279.384 1.673 40 0 CDABRO COCCNC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1C ZINC000257289560 190027692 /nfs/dbraw/zinc/02/76/92/190027692.db2.gz PZFCOCGVNSKOEI-INIZCTEOSA-N 1 0 276.380 1.456 40 0 CDABRO O=C(c1ccsc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261809161 190044731 /nfs/dbraw/zinc/04/47/31/190044731.db2.gz NFXHTHDPYFWSEU-UHFFFAOYSA-N 1 0 250.367 1.964 40 0 CDABRO CN(C)Cc1cc(CC2([NH2+]C3CCCCC3)COC2)no1 ZINC000067897794 377285531 /nfs/dbraw/zinc/28/55/31/377285531.db2.gz JHEVJZSRMISDIW-UHFFFAOYSA-N 1 0 293.411 1.970 40 0 biogenic,in-vitro CDABRO O=C1c2ccccc2N(O)C1=C1C(=O)c2ccccc2[N+]1=O ZINC000001618579 285026866 /nfs/dbraw/zinc/02/68/66/285026866.db2.gz ORSKMIZDJSOETO-UHFFFAOYSA-N 1 0 292.250 1.945 40 0 CDABRO O=c1ccc2c([nH]1)CC[C@@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000096067521 285222161 /nfs/dbraw/zinc/22/21/61/285222161.db2.gz CSXDVCSZPNUBRA-CYBMUJFWSA-N 1 0 298.342 1.751 40 0 CDABRO CCn1cc(CN(C)C[C@@H]2CCCC[NH2+]2)c(C)n1 ZINC000096524005 256731869 /nfs/dbraw/zinc/73/18/69/256731869.db2.gz KVDQATOXCDGPRP-AWEZNQCLSA-N 1 0 250.390 1.785 40 0 CDABRO CC[NH+]1CCN(c2cc(C)c(C(=O)OC)cn2)CC1 ZINC000072223619 256704893 /nfs/dbraw/zinc/70/48/93/256704893.db2.gz GQGFPSQOEWCTHT-UHFFFAOYSA-N 1 0 263.341 1.319 40 0 CDABRO FC1(F)CC[NH2+]C[C@]12CCN(c1cccnc1)C2 ZINC000096239562 256829170 /nfs/dbraw/zinc/82/91/70/256829170.db2.gz PEFIGRAUJYVZHC-LBPRGKRZSA-N 1 0 253.296 1.907 40 0 CDABRO Cc1cc([C@H](C)O)cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222664 390623911 /nfs/dbraw/zinc/62/39/11/390623911.db2.gz UYYMHWVEYQGHEJ-ZDUSSCGKSA-N 1 0 263.385 1.974 40 0 CDABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)C1CC1 ZINC000096055791 390912234 /nfs/dbraw/zinc/91/22/34/390912234.db2.gz KNTYFHGDGNDSMN-QWHCGFSZSA-N 1 0 272.414 1.283 40 0 CDABRO Cn1c2ccccc2cc(-c2noc(CC[NH3+])n2)c1=O ZINC000062710747 392801137 /nfs/dbraw/zinc/80/11/37/392801137.db2.gz IVACKZGNXKPBKO-UHFFFAOYSA-N 1 0 270.292 1.090 40 0 CDABRO COc1ccc(Br)cc1C[NH2+]C[C@H](C)O ZINC000005911918 170154481 /nfs/dbraw/zinc/15/44/81/170154481.db2.gz RYRBETLXDWHSGP-QMMMGPOBSA-N 1 0 274.158 1.928 40 0 CDABRO CC[NH+](CC)CCCNC(=S)NCc1ccnn1C ZINC000006462744 170203050 /nfs/dbraw/zinc/20/30/50/170203050.db2.gz GBMHDTIFTHWENW-UHFFFAOYSA-N 1 0 283.445 1.116 40 0 CDABRO Cc1ccc(C)n1CCSc1nc(N)cc(N)[nH+]1 ZINC000008782544 170356010 /nfs/dbraw/zinc/35/60/10/170356010.db2.gz XZIXBSMGJUUCRI-UHFFFAOYSA-N 1 0 263.370 1.852 40 0 CDABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCC[NH+](C)C ZINC000022519225 171389764 /nfs/dbraw/zinc/38/97/64/171389764.db2.gz AHBLTVNPPCYVPE-CQSZACIVSA-N 1 0 280.368 1.530 40 0 CDABRO CCN(CC)CC[NH2+][C@H](C)C(=O)N1CCC(C)CC1 ZINC000022586306 171393038 /nfs/dbraw/zinc/39/30/38/171393038.db2.gz RWJXPEUSNOGBLG-CQSZACIVSA-N 1 0 269.433 1.565 40 0 CDABRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000072367950 176382357 /nfs/dbraw/zinc/38/23/57/176382357.db2.gz GKSVRZNGHSEMPP-CQSZACIVSA-N 1 0 261.369 1.820 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2nccnc2c1 ZINC000072397619 176395254 /nfs/dbraw/zinc/39/52/54/176395254.db2.gz XLNJRKVRWGASSU-AEGPPILISA-N 1 0 298.390 1.269 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000083318377 260188910 /nfs/dbraw/zinc/18/89/10/260188910.db2.gz IUAIUTQQJMTBTQ-DCAQKATOSA-N 1 0 285.388 1.286 40 0 CDABRO O=C(c1ccco1)N1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC000096241220 265346087 /nfs/dbraw/zinc/34/60/87/265346087.db2.gz RXKHSWOZIHYSTD-WCQYABFASA-N 1 0 252.289 1.443 40 0 CDABRO CC(C)(C)n1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000655462984 424344340 /nfs/dbraw/zinc/34/43/40/424344340.db2.gz AUHLMTOEAKGWCA-GFCCVEGCSA-N 1 0 276.384 1.510 40 0 CDABRO O=S(=O)(N[C@@H]1CCC12CC[NH2+]CC2)c1ccccc1 ZINC000306134580 280338099 /nfs/dbraw/zinc/33/80/99/280338099.db2.gz NSPWOIPEHWZPFK-CYBMUJFWSA-N 1 0 280.393 1.497 40 0 CDABRO Cc1nccc(N2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000257290194 302709613 /nfs/dbraw/zinc/70/96/13/302709613.db2.gz QBYRCJTYOMBPSD-AWEZNQCLSA-N 1 0 254.337 1.936 40 0 CDABRO O=C([O-])COc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000062718574 327915836 /nfs/dbraw/zinc/91/58/36/327915836.db2.gz AICUQRUSNTUKDC-UHFFFAOYSA-N 1 0 278.352 1.239 40 0 CDABRO COc1ccc(OCCCC(=O)NCCC[NH+](C)C)cc1 ZINC000045164581 524942152 /nfs/dbraw/zinc/94/21/52/524942152.db2.gz SIKIXEJZFCIZEM-UHFFFAOYSA-N 1 0 294.395 1.922 40 0 CDABRO CC(C)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000143850982 342450337 /nfs/dbraw/zinc/45/03/37/342450337.db2.gz HPIPZPWZIAEUOB-WDEREUQCSA-N 1 0 258.362 1.212 40 0 CDABRO CC(C)[N@@H+]1CCOC[C@@]2(CN(Cc3ccco3)CCO2)C1 ZINC000096049714 185074763 /nfs/dbraw/zinc/07/47/63/185074763.db2.gz HUIZJLSBUPQGIS-MRXNPFEDSA-N 1 0 294.395 1.591 40 0 CDABRO CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2[N@@H+]1C(C)C ZINC000096054223 185075891 /nfs/dbraw/zinc/07/58/91/185075891.db2.gz XYSVWXSFUCUVCN-AEGPPILISA-N 1 0 291.395 1.309 40 0 CDABRO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)O1)N1CCCO1 ZINC000096057576 185077161 /nfs/dbraw/zinc/07/71/61/185077161.db2.gz SRZDCYBPLDOJHW-MGPQQGTHSA-N 1 0 280.368 1.182 40 0 CDABRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](CC2CC2)C1)N1CCCC1 ZINC000096057617 185077408 /nfs/dbraw/zinc/07/74/08/185077408.db2.gz GOOBYZOITQUJGB-RRFJBIMHSA-N 1 0 278.396 1.498 40 0 CDABRO c1cn2c(n1)C[NH2+]C[C@@H](COCc1cccnc1)C2 ZINC000096059133 185079224 /nfs/dbraw/zinc/07/92/24/185079224.db2.gz MLLWBXZUICHFIT-CYBMUJFWSA-N 1 0 258.325 1.214 40 0 CDABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2ccco2)C1 ZINC000096059183 185079606 /nfs/dbraw/zinc/07/96/06/185079606.db2.gz CYRZPFXQZHNPMZ-GFCCVEGCSA-N 1 0 288.351 1.310 40 0 CDABRO O=C1C[C@H](c2ccncc2)C2(CC[NH+](CC3CC3)CC2)N1 ZINC000096061553 185082735 /nfs/dbraw/zinc/08/27/35/185082735.db2.gz LEYBZSCNYOHTST-OAHLLOKOSA-N 1 0 285.391 1.930 40 0 CDABRO CC[NH+](CC)[C@@H]1CN(c2nncs2)C[C@@H]2CCCO[C@H]12 ZINC000096065168 185084679 /nfs/dbraw/zinc/08/46/79/185084679.db2.gz KPZGVHYTRFUCIC-XQQFMLRXSA-N 1 0 296.440 1.864 40 0 CDABRO Cc1nc(CN2C[C@@H]([NH+](C)C)[C@H]3COC[C@H]32)cs1 ZINC000096064187 185084937 /nfs/dbraw/zinc/08/49/37/185084937.db2.gz XRYGDNKAXIUWFE-JHJVBQTASA-N 1 0 267.398 1.212 40 0 CDABRO O=c1[nH]nc([C@@H]2CCC[NH2+]C2)n1-c1ccc(F)cc1 ZINC000096517322 342165889 /nfs/dbraw/zinc/16/58/89/342165889.db2.gz OVPSLAOEALBZHZ-SECBINFHSA-N 1 0 262.288 1.167 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1CC[C@@H]2OC(C)(C)C[C@@H]2C1 ZINC000585286369 342258708 /nfs/dbraw/zinc/25/87/08/342258708.db2.gz WWPMIRWGCFRPLV-WOPDTQHZSA-N 1 0 286.441 1.483 40 0 CDABRO C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000215648530 342439246 /nfs/dbraw/zinc/43/92/46/342439246.db2.gz MDMCCWVAJOFMJF-MCIONIFRSA-N 1 0 283.416 1.537 40 0 CDABRO CCN1CC[C@]2(CCC[N@H+](C[C@H]3CCOC3)C2)C1=O ZINC000107229120 186163903 /nfs/dbraw/zinc/16/39/03/186163903.db2.gz MXXXYCCCNQEWCF-HIFRSBDPSA-N 1 0 266.385 1.357 40 0 CDABRO O=C(C[C@H]1[C@H]2C[N@@H+](CC3CC3)C[C@@H]12)NCc1ccco1 ZINC000107745975 186188864 /nfs/dbraw/zinc/18/88/64/186188864.db2.gz GMZIFGHRZGCHDB-QDMKHBRRSA-N 1 0 274.364 1.874 40 0 CDABRO O=c1cc(-c2ccncc2)nc(C2CC[NH2+]CC2)[nH]1 ZINC000019405487 351318326 /nfs/dbraw/zinc/31/83/26/351318326.db2.gz BXTDCKDNPJXQOR-UHFFFAOYSA-N 1 0 256.309 1.299 40 0 CDABRO O=C(CN1CC[NH2+]CC1)Nc1cccc2ccccc21 ZINC000023292121 356639774 /nfs/dbraw/zinc/63/97/74/356639774.db2.gz OVHCJNYUUSDTKJ-UHFFFAOYSA-N 1 0 269.348 1.684 40 0 CDABRO O=C1c2ccccc2C2=C1N(O)[C@H]1CCCCC[C@@H]1[N+]2=O ZINC000100669915 356803328 /nfs/dbraw/zinc/80/33/28/356803328.db2.gz UPUVRTJICMZCNF-STQMWFEESA-N 1 0 284.315 1.849 40 0 CDABRO CC(C)(C)OC(=O)CC[NH2+]CCCn1ccnc1 ZINC000047218982 357153945 /nfs/dbraw/zinc/15/39/45/357153945.db2.gz DBZIZYSWJYCNBR-UHFFFAOYSA-N 1 0 253.346 1.595 40 0 CDABRO CCOc1cc(C=O)ccc1OCCCN1CC[NH2+]CC1 ZINC000019798094 358143021 /nfs/dbraw/zinc/14/30/21/358143021.db2.gz JPTQLQPGRSODJK-UHFFFAOYSA-N 1 0 292.379 1.572 40 0 CDABRO C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)C[NH+](C)C)C1 ZINC000135278278 358146271 /nfs/dbraw/zinc/14/62/71/358146271.db2.gz BHEZIRZWZCRQBZ-FZMZJTMJSA-N 1 0 256.390 1.242 40 0 CDABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000082336302 358160866 /nfs/dbraw/zinc/16/08/66/358160866.db2.gz KIFFZCAITNKVIM-SNVBAGLBSA-N 1 0 262.309 1.696 40 0 CDABRO COCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC000096161743 358711062 /nfs/dbraw/zinc/71/10/62/358711062.db2.gz DXAAFYJTSVVWQZ-IYBDPMFKSA-N 1 0 288.391 1.532 40 0 CDABRO CC[NH+]1CCC2(CN(Cc3cccnc3)C2=O)CC1 ZINC000096202885 358719264 /nfs/dbraw/zinc/71/92/64/358719264.db2.gz KVXUJKGFQYZWQV-UHFFFAOYSA-N 1 0 259.353 1.526 40 0 CDABRO Cn1cccc1C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](C)C2)O1 ZINC000096206745 358720272 /nfs/dbraw/zinc/72/02/72/358720272.db2.gz PUABWTNSQIJZBM-XJKSGUPXSA-N 1 0 291.395 1.398 40 0 CDABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(c1nnc(C)s1)CC2 ZINC000096220768 358723186 /nfs/dbraw/zinc/72/31/86/358723186.db2.gz VVKOOHPPVPWGNV-GFCCVEGCSA-N 1 0 296.440 1.784 40 0 CDABRO O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccccn2)N1CC1CC1 ZINC000096245875 358725856 /nfs/dbraw/zinc/72/58/56/358725856.db2.gz FVBVADXPUUWOGW-GJZGRUSLSA-N 1 0 271.364 1.667 40 0 CDABRO CN(CCc1ccccn1)C[C@]1(O)CCC[N@H+](C)C1 ZINC000041124034 359685444 /nfs/dbraw/zinc/68/54/44/359685444.db2.gz VAXJVWGDSHVPHS-HNNXBMFYSA-N 1 0 263.385 1.013 40 0 CDABRO C[NH2+]CCN(C)C(=O)c1cccc(-c2n[nH]c(C)n2)c1 ZINC000237361485 361353489 /nfs/dbraw/zinc/35/34/89/361353489.db2.gz UBMJJPDBSYLZSC-UHFFFAOYSA-N 1 0 273.340 1.072 40 0 CDABRO CCN(C(=O)OC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000079408006 284193339 /nfs/dbraw/zinc/19/33/39/284193339.db2.gz IZQDAIJXRJNMKQ-UHFFFAOYSA-N 1 0 272.389 1.700 40 0 CDABRO O=C(N[C@H]1CCO[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000306134475 284209908 /nfs/dbraw/zinc/20/99/08/284209908.db2.gz NOWWYZQYVXCFDE-DZGCQCFKSA-N 1 0 260.337 1.328 40 0 CDABRO Cc1cnc([C@H](C)N2CCC[C@@H](n3ccnn3)C2)o1 ZINC000333418536 205303689 /nfs/dbraw/zinc/30/36/89/205303689.db2.gz RGQKYYMNOYIGTR-NWDGAFQWSA-N 1 0 261.329 1.973 40 0 CDABRO CCC[NH+]1CCC(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)CC1 ZINC000079002090 374753978 /nfs/dbraw/zinc/75/39/78/374753978.db2.gz PBAXIQBHPZSPSP-HOCLYGCPSA-N 1 0 293.455 1.661 40 0 CDABRO CC[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(N)=O ZINC000079030950 374761261 /nfs/dbraw/zinc/76/12/61/374761261.db2.gz LNWMMKFCNKTMHA-ZDUSSCGKSA-N 1 0 299.484 1.592 40 0 CDABRO Cn1cc(-c2ccc3nnc(C4CC[NH+](C)CC4)n3n2)cn1 ZINC000306125721 374968560 /nfs/dbraw/zinc/96/85/60/374968560.db2.gz CZUDSKNZWHKIJR-UHFFFAOYSA-N 1 0 297.366 1.334 40 0 CDABRO CCOCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256049471 190002333 /nfs/dbraw/zinc/00/23/33/190002333.db2.gz ABLNWDXHAHQXHO-UHFFFAOYSA-N 1 0 265.279 1.955 40 0 CDABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000257200634 190010806 /nfs/dbraw/zinc/01/08/06/190010806.db2.gz AEEIHZCFAJVDGD-GFCCVEGCSA-N 1 0 297.362 1.292 40 0 CDABRO CC[NH+]1CCC(N2CCO[C@@H](c3nc(C)cn3C)C2)CC1 ZINC000257201750 190010928 /nfs/dbraw/zinc/01/09/28/190010928.db2.gz AIXBAFQFDUWMJH-OAHLLOKOSA-N 1 0 292.427 1.586 40 0 CDABRO O=C(NCCO)c1cc([C@H]2CC[NH2+]C2)nc2ccccc21 ZINC000257215210 190013280 /nfs/dbraw/zinc/01/32/80/190013280.db2.gz CPDPTFBTIGSHSI-NSHDSACASA-N 1 0 285.347 1.034 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2ncc[nH]2)cc1 ZINC000257228421 190016519 /nfs/dbraw/zinc/01/65/19/190016519.db2.gz FTUGYZDHXBSJGP-AWEZNQCLSA-N 1 0 272.352 1.565 40 0 CDABRO C[N@@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@@H](C(N)=O)C1 ZINC000257234621 190016943 /nfs/dbraw/zinc/01/69/43/190016943.db2.gz GUKDNHXDNBSDLH-NSHDSACASA-N 1 0 299.777 1.328 40 0 CDABRO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@H+](CCC(N)=O)C[C@H]12 ZINC000257238483 190017799 /nfs/dbraw/zinc/01/77/99/190017799.db2.gz HLDYTYTYYBAPIS-VNHYZAJKSA-N 1 0 289.379 1.355 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2ccccc2F)C1 ZINC000257248520 190020134 /nfs/dbraw/zinc/02/01/34/190020134.db2.gz JEAJLCCBLPZDEH-INIZCTEOSA-N 1 0 294.370 1.283 40 0 CDABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cncnc1 ZINC000257288218 190026891 /nfs/dbraw/zinc/02/68/91/190026891.db2.gz PTJSOYXZSDNHCG-KNCOVGOOSA-N 1 0 286.379 1.612 40 0 CDABRO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cn1 ZINC000257289162 190027470 /nfs/dbraw/zinc/02/74/70/190027470.db2.gz PXGQCEYUYXOBJW-CQSZACIVSA-N 1 0 298.394 1.712 40 0 CDABRO Cc1ncc(-c2nccnc2C[C@H]2CCC[NH2+]C2)n1C ZINC000257309299 190030863 /nfs/dbraw/zinc/03/08/63/190030863.db2.gz UAJQYGDBRPTZHO-GFCCVEGCSA-N 1 0 271.368 1.728 40 0 CDABRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccno1 ZINC000070928280 379510719 /nfs/dbraw/zinc/51/07/19/379510719.db2.gz HNKNZISWDRPRFJ-UHFFFAOYSA-N 1 0 286.335 1.716 40 0 CDABRO CCCNc1ncc(CNCC[NH+](CC)CC)cn1 ZINC000062718458 256720921 /nfs/dbraw/zinc/72/09/21/256720921.db2.gz HUEDPHRTACHGJZ-UHFFFAOYSA-N 1 0 265.405 1.730 40 0 CDABRO c1csc(COC[C@@H]2CC[C@@H]3[NH2+]CCO[C@H]23)n1 ZINC000096250118 256834117 /nfs/dbraw/zinc/83/41/17/256834117.db2.gz KZPUTSPATLCNNS-JBLDHEPKSA-N 1 0 254.355 1.427 40 0 CDABRO COc1ccc(C(=O)C(CN(C)C)C[NH+](C)C)cc1OC ZINC000001580573 390139028 /nfs/dbraw/zinc/13/90/28/390139028.db2.gz RMKAMTUETBZUNE-UHFFFAOYSA-N 1 0 294.395 1.626 40 0 CDABRO Cc1nc(CN2CC[NH2+]Cc3cccnc32)cs1 ZINC000096260853 390435272 /nfs/dbraw/zinc/43/52/72/390435272.db2.gz QQZDWKHSVZRNIU-UHFFFAOYSA-N 1 0 260.366 1.956 40 0 CDABRO COc1ccccc1C1=N[C@@]2(CCC[NH2+]C2)N(C)C1=O ZINC000096516446 390534222 /nfs/dbraw/zinc/53/42/22/390534222.db2.gz ZYHGYILOJVMQDQ-HNNXBMFYSA-N 1 0 273.336 1.036 40 0 CDABRO [NH3+]CCC(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000072220479 390621975 /nfs/dbraw/zinc/62/19/75/390621975.db2.gz WKDHBUAPZNGYDR-UHFFFAOYSA-N 1 0 280.715 1.355 40 0 CDABRO C[NH+](C)CCCNC(=O)Cc1cccc(Cl)c1 ZINC000074921877 390662080 /nfs/dbraw/zinc/66/20/80/390662080.db2.gz LHVFGPBVWNADMP-UHFFFAOYSA-N 1 0 254.761 1.950 40 0 CDABRO CC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000173558771 390946423 /nfs/dbraw/zinc/94/64/23/390946423.db2.gz IXWGJQQGFJUXTN-VXGBXAGGSA-N 1 0 272.389 1.746 40 0 CDABRO O=C(N[C@H]1COC2(C1)CC[NH2+]CC2)c1ccsc1 ZINC000096157246 390913316 /nfs/dbraw/zinc/91/33/16/390913316.db2.gz VEGGEHUGYVLDMP-LLVKDONJSA-N 1 0 266.366 1.389 40 0 CDABRO CC[NH+](CC)CCNCc1cnc(SC)nc1 ZINC000062718325 391574675 /nfs/dbraw/zinc/57/46/75/391574675.db2.gz MTULHGPKGYKJKB-UHFFFAOYSA-N 1 0 254.403 1.630 40 0 CDABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@]2(C[NH3+])CO)cc1 ZINC000218438798 391934227 /nfs/dbraw/zinc/93/42/27/391934227.db2.gz OWGHEIDQVFILHI-KFWWJZLASA-N 1 0 297.420 1.087 40 0 CDABRO CC1CCC(OC[C@H](O)C[NH+]2CCN(C)CC2)CC1 ZINC000041690159 392010763 /nfs/dbraw/zinc/01/07/63/392010763.db2.gz UJJCSGYRYNPEAL-SHARSMKWSA-N 1 0 270.417 1.190 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1C[NH3+] ZINC000218553807 130769815 /nfs/dbraw/zinc/76/98/15/130769815.db2.gz PWSMPRDFWBEELT-WOPDTQHZSA-N 1 0 273.785 1.815 40 0 CDABRO C[C@H]1CN(c2cnc(C3CC[NH2+]CC3)cn2)C(=O)O1 ZINC000257331710 392978453 /nfs/dbraw/zinc/97/84/53/392978453.db2.gz XTXXLNOELUEIBY-VIFPVBQESA-N 1 0 262.313 1.289 40 0 CDABRO COCC(=O)N1CCC2(C[C@@H](COC)[N@@H+](C(C)C)C2)CC1 ZINC000096051775 292175713 /nfs/dbraw/zinc/17/57/13/292175713.db2.gz XTLGTEJURXLCTO-AWEZNQCLSA-N 1 0 298.427 1.371 40 0 CDABRO COCC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096049306 292175738 /nfs/dbraw/zinc/17/57/38/292175738.db2.gz KIFYOCSIAHLIBK-UHFFFAOYSA-N 1 0 266.385 1.500 40 0 CDABRO COc1ccc([C@H](O)C(CN(C)C)C[NH+](C)C)cc1 ZINC000006371916 170196095 /nfs/dbraw/zinc/19/60/95/170196095.db2.gz AHUVJDUMWKOIDL-HNNXBMFYSA-N 1 0 266.385 1.468 40 0 CDABRO CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@@H+]2CCC[C@H]12)C(C)C ZINC000008618660 170343398 /nfs/dbraw/zinc/34/33/98/170343398.db2.gz AORFDVNAPHMKAU-XPKDYRNWSA-N 1 0 297.395 1.356 40 0 CDABRO CC[NH+](CC)C1CCN(C(=O)c2cnc(NC)nc2)CC1 ZINC000019718543 170842744 /nfs/dbraw/zinc/84/27/44/170842744.db2.gz NQPBESRZSHLCNQ-UHFFFAOYSA-N 1 0 291.399 1.465 40 0 CDABRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000020182385 171045938 /nfs/dbraw/zinc/04/59/38/171045938.db2.gz MFIFYYPGRLRCRF-JTQLQIEISA-N 1 0 272.345 1.185 40 0 CDABRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000020182421 171045954 /nfs/dbraw/zinc/04/59/54/171045954.db2.gz RGMWDZQEPULBEE-SECBINFHSA-N 1 0 260.384 1.108 40 0 CDABRO CC[NH+]1CCN([C@H](C)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000022585895 171393552 /nfs/dbraw/zinc/39/35/52/171393552.db2.gz IOZKOQRPGKNAOG-UONOGXRCSA-N 1 0 267.417 1.271 40 0 CDABRO [NH3+]C[C@@H](O)c1c[nH]c2ccc(Br)cc21 ZINC000071487862 176189876 /nfs/dbraw/zinc/18/98/76/176189876.db2.gz QGGPNNYJKDXWDM-SNVBAGLBSA-N 1 0 255.115 1.923 40 0 CDABRO Cn1nc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH+](C)C)cc1Cl ZINC000072246116 176350061 /nfs/dbraw/zinc/35/00/61/176350061.db2.gz HGAABIRSKXVAQJ-GHMZBOCLSA-N 1 0 298.818 1.924 40 0 CDABRO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1 ZINC000072343340 176371615 /nfs/dbraw/zinc/37/16/15/176371615.db2.gz VXFUWVIZTUXGDL-GFCCVEGCSA-N 1 0 286.372 1.588 40 0 CDABRO NC(=O)C[N@@H+]1CC[C@@H](Cc2cncc3ccccc32)C1 ZINC000072367884 176382464 /nfs/dbraw/zinc/38/24/64/176382464.db2.gz WAPRTCGVYUQJCB-LBPRGKRZSA-N 1 0 269.348 1.585 40 0 CDABRO CNc1cc(Nc2nccc([C@H]3CCCC[NH2+]3)n2)ncn1 ZINC000072376734 176385022 /nfs/dbraw/zinc/38/50/22/176385022.db2.gz VQZKJWPWSQMAET-SNVBAGLBSA-N 1 0 285.355 1.867 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc2cccnc21 ZINC000072397594 176394967 /nfs/dbraw/zinc/39/49/67/176394967.db2.gz QOLXLKGUIRIETM-IAOVAPTHSA-N 1 0 297.402 1.874 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2ncccc2c1 ZINC000072397591 176395078 /nfs/dbraw/zinc/39/50/78/176395078.db2.gz UMAJYNWLGRKJFT-RRQGHBQHSA-N 1 0 297.402 1.874 40 0 CDABRO CS(=O)(=O)CC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000076398355 177015683 /nfs/dbraw/zinc/01/56/83/177015683.db2.gz CBNIIANVTDQBII-UHFFFAOYSA-N 1 0 297.298 1.719 40 0 CDABRO C1CC1c1nc2c(c(N3CC[NH2+]CC3)n1)CCCC2 ZINC000096516922 273483011 /nfs/dbraw/zinc/48/30/11/273483011.db2.gz WRTAMDLFZOZABK-UHFFFAOYSA-N 1 0 258.369 1.642 40 0 CDABRO CC[NH+](CC)C[C@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000248277998 276109848 /nfs/dbraw/zinc/10/98/48/276109848.db2.gz ZMRSNLBMNWYGFD-INIZCTEOSA-N 1 0 292.427 1.761 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@@H](N(C(=O)C[NH3+])C2CC2)C1 ZINC000079391147 278389964 /nfs/dbraw/zinc/38/99/64/278389964.db2.gz DHLMLLZDPSNBHT-GFCCVEGCSA-N 1 0 297.399 1.336 40 0 CDABRO CC[N@@H+]1CCO[C@@H]2CN(C(=O)COC3CCCC3)C[C@@H]2C1 ZINC000096107965 279386830 /nfs/dbraw/zinc/38/68/30/279386830.db2.gz YZNLPTGLAKDQRC-DZGCQCFKSA-N 1 0 296.411 1.125 40 0 CDABRO CC[C@H]1[N@H+](CC2CCOCC2)CCC[C@]12CCC(=O)N2 ZINC000096045693 288354636 /nfs/dbraw/zinc/35/46/36/288354636.db2.gz LDHJBXPZPOBIDR-ZBFHGGJFSA-N 1 0 280.412 1.936 40 0 CDABRO C[C@@H]1[C@@H]([NH3+])C(=O)N1c1ccc(Br)cc1 ZINC000225776526 288980683 /nfs/dbraw/zinc/98/06/83/288980683.db2.gz NUKWKOBBKZXUHN-HZGVNTEJSA-N 1 0 255.115 1.512 40 0 CDABRO COP(=O)(OC)[C@@]1(O)C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000003162966 293376500 /nfs/dbraw/zinc/37/65/00/293376500.db2.gz ANRNCSUBAGMGGV-GUBZILKMSA-N 1 0 251.263 1.521 40 0 CDABRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000044541158 295246027 /nfs/dbraw/zinc/24/60/27/295246027.db2.gz ADGZIXBINHFSHU-NSHDSACASA-N 1 0 262.309 1.369 40 0 CDABRO [NH3+][C@@H]1Cc2ccc(S(=O)(=O)NC3CCCC3)cc2C1 ZINC000257221272 295326187 /nfs/dbraw/zinc/32/61/87/295326187.db2.gz DOGKMDLDOCJLBA-GFCCVEGCSA-N 1 0 280.393 1.333 40 0 CDABRO CC[NH+]1CCN(C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000022030828 521685136 /nfs/dbraw/zinc/68/51/36/521685136.db2.gz JHJRVXUCLYSFQV-OAHLLOKOSA-N 1 0 278.396 1.372 40 0 CDABRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000227966639 525583855 /nfs/dbraw/zinc/58/38/55/525583855.db2.gz VQUXOHCFKYKJDC-SMDDNHRTSA-N 1 0 267.373 1.268 40 0 CDABRO CCOc1ccccc1-c1nc2c(nc[nH+]c2NN)n1C ZINC000228908066 830801488 /nfs/dbraw/zinc/80/14/88/830801488.db2.gz UBOXIFOZCPCOHJ-UHFFFAOYSA-N 1 0 284.323 1.715 40 0 CDABRO CC[NH+](CC)C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 ZINC000575404702 342451834 /nfs/dbraw/zinc/45/18/34/342451834.db2.gz PCQYPDSKASSRMQ-HNNXBMFYSA-N 1 0 290.411 1.908 40 0 CDABRO CCOCC[N@@H+]1CC[C@H]2C[C@H](C(=O)NCC3CC3)O[C@H]2C1 ZINC000096043155 185070328 /nfs/dbraw/zinc/07/03/28/185070328.db2.gz XBFZHTISQKVYKB-ZNMIVQPWSA-N 1 0 296.411 1.029 40 0 CDABRO O=C(N1CCCC1)N1CC[N@@H+]2C[C@H](OCC3CC3)C[C@@H]2C1 ZINC000096055005 185075788 /nfs/dbraw/zinc/07/57/88/185075788.db2.gz PAURGSWULQWVEN-HUUCEWRRSA-N 1 0 293.411 1.387 40 0 CDABRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000096055559 185076829 /nfs/dbraw/zinc/07/68/29/185076829.db2.gz VPXRBGCBMFDQDA-UPJWGTAASA-N 1 0 264.325 1.100 40 0 CDABRO Cn1cncc1C(=O)N1CC[C@]2(CC[N@@H+]2CC2CC2)C1 ZINC000096075995 185089010 /nfs/dbraw/zinc/08/90/10/185089010.db2.gz UDOLNKHMLFYXSE-HNNXBMFYSA-N 1 0 274.368 1.121 40 0 CDABRO [NH3+][C@H]1CCc2c(ccc(=O)n2Cc2ccncc2)C1 ZINC000096086853 185093360 /nfs/dbraw/zinc/09/33/60/185093360.db2.gz PTHKGSSSKLLQEL-ZDUSSCGKSA-N 1 0 255.321 1.108 40 0 CDABRO COCC[NH2+]C[C@@H](O)c1cncc(Br)c1 ZINC000125143931 187171987 /nfs/dbraw/zinc/17/19/87/187171987.db2.gz CWAUOZGZCGUHCE-SNVBAGLBSA-N 1 0 275.146 1.114 40 0 CDABRO CC[NH+](CC)CCCNC(=O)c1cc(N)nn1C(C)C ZINC000685936796 539098989 /nfs/dbraw/zinc/09/89/89/539098989.db2.gz ZUCCQGAQELTXHY-UHFFFAOYSA-N 1 0 281.404 1.508 40 0 CDABRO CO[C@H]1CC[N@H+](CCC(N)=O)C[C@H]1Cc1ccc(F)cc1 ZINC000585269481 342255541 /nfs/dbraw/zinc/25/55/41/342255541.db2.gz WCYHJWNUQPGEMA-HIFRSBDPSA-N 1 0 294.370 1.581 40 0 CDABRO CO[C@]1(COc2ccccc2C)CC[N@H+](CCC(N)=O)C1 ZINC000585273359 342255855 /nfs/dbraw/zinc/25/58/55/342255855.db2.gz CTNPMVVWKKCEPG-MRXNPFEDSA-N 1 0 292.379 1.340 40 0 CDABRO CNC(=O)C[C@]1(CO)CCC[N@@H+]1Cc1cc(C(C)C)no1 ZINC000585278391 342256937 /nfs/dbraw/zinc/25/69/37/342256937.db2.gz SLILKHQMVWIRSL-HNNXBMFYSA-N 1 0 295.383 1.261 40 0 CDABRO COC[C@H]1CC[N@H+](C)C2(CN(c3cc(OC)ncn3)C2)C1 ZINC000248083984 362149628 /nfs/dbraw/zinc/14/96/28/362149628.db2.gz AVNKHVXUCZWPAR-LBPRGKRZSA-N 1 0 292.383 1.032 40 0 CDABRO COc1ccccc1Cc1nsc(N2CC[NH2+]CC2)n1 ZINC000034839828 343402834 /nfs/dbraw/zinc/40/28/34/343402834.db2.gz UVGFIXJQYGSYHI-UHFFFAOYSA-N 1 0 290.392 1.547 40 0 CDABRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[S@](C)=O)CC2 ZINC000211268340 345439064 /nfs/dbraw/zinc/43/90/64/345439064.db2.gz AILYWZGCDXMZSV-SZEPBZDZSA-N 1 0 281.421 1.909 40 0 CDABRO Cn1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c2ccccc21 ZINC000085436139 179062728 /nfs/dbraw/zinc/06/27/28/179062728.db2.gz HWKYFHZJCIXIMV-ZDUSSCGKSA-N 1 0 284.363 1.388 40 0 biogenic,in-vitro CDABRO CC(C)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000143850615 348725095 /nfs/dbraw/zinc/72/50/95/348725095.db2.gz HPIPZPWZIAEUOB-QWRGUYRKSA-N 1 0 258.362 1.212 40 0 CDABRO CCN1C(=O)C[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)n1 ZINC000107799903 186191778 /nfs/dbraw/zinc/19/17/78/186191778.db2.gz MXOBEFGLJUQCRZ-KGLIPLIRSA-N 1 0 259.353 1.585 40 0 CDABRO Cc1nc(COC[C@@H]2CC[C@H]3[NH2+]CC[C@H]3O2)cs1 ZINC000107493674 186176756 /nfs/dbraw/zinc/17/67/56/186176756.db2.gz LSPVDZHJZBUIBA-YNEHKIRRSA-N 1 0 268.382 1.878 40 0 CDABRO CC(C)CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019446427 356485295 /nfs/dbraw/zinc/48/52/95/356485295.db2.gz NSZOXBXLHNSZKQ-CQSZACIVSA-N 1 0 288.395 1.832 40 0 CDABRO CC(C)CCNC(=O)[C@@H]1C[N@H+](C)Cc2cn(C)nc21 ZINC000019701578 356495921 /nfs/dbraw/zinc/49/59/21/356495921.db2.gz QEYFJVRZXCWMIL-GFCCVEGCSA-N 1 0 264.373 1.111 40 0 CDABRO Cc1c(C[N@@H+]2CC[C@H](C(=O)N3CCCCC3)C2)cnn1C ZINC000019745447 356499603 /nfs/dbraw/zinc/49/96/03/356499603.db2.gz OALOWQPLXYGZSR-AWEZNQCLSA-N 1 0 290.411 1.563 40 0 CDABRO Cc1nc([C@H]2CC[N@H+](Cc3cccnc3)C2)ncc1C(N)=O ZINC000019759121 356500189 /nfs/dbraw/zinc/50/01/89/356500189.db2.gz RTNYELRJKUAZNL-ZDUSSCGKSA-N 1 0 297.362 1.268 40 0 CDABRO C[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1 ZINC000042238460 356875082 /nfs/dbraw/zinc/87/50/82/356875082.db2.gz GKDNMVAGNYBQNR-ZETCQYMHSA-N 1 0 257.131 1.413 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CC[N@H+](CCO)C1 ZINC000079408166 356992398 /nfs/dbraw/zinc/99/23/98/356992398.db2.gz MQNCGLNIDFGQDD-GFCCVEGCSA-N 1 0 270.373 1.453 40 0 CDABRO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)C[NH3+] ZINC000079415240 356993230 /nfs/dbraw/zinc/99/32/30/356993230.db2.gz NBLGWPXAGZFOOF-HNNXBMFYSA-N 1 0 275.396 1.458 40 0 CDABRO C[C@H]([NH3+])C(=O)N(Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000079418843 356994515 /nfs/dbraw/zinc/99/45/15/356994515.db2.gz WWANHMVEWVRPEF-JTQLQIEISA-N 1 0 276.336 1.296 40 0 CDABRO COC(=O)[C@H](C)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000047219173 357154005 /nfs/dbraw/zinc/15/40/05/357154005.db2.gz WDCROSLVTPPBEJ-SECBINFHSA-N 1 0 251.282 1.314 40 0 CDABRO CO[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089223627 357489383 /nfs/dbraw/zinc/48/93/83/357489383.db2.gz HCUGBUFSXPXVQD-NEPJUHHUSA-N 1 0 272.389 1.868 40 0 CDABRO CO[C@H]1CC[N@H+](C[C@@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200491 358717970 /nfs/dbraw/zinc/71/79/70/358717970.db2.gz OPHSKPHKPVVZEQ-JYJNAYRXSA-N 1 0 276.380 1.750 40 0 CDABRO O[C@H]1CC[N@H+](C[C@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200367 358718309 /nfs/dbraw/zinc/71/83/09/358718309.db2.gz LZKVVOHGYNJTET-PMPSAXMXSA-N 1 0 261.365 1.701 40 0 CDABRO CC(=O)N1CCOC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096202184 358718908 /nfs/dbraw/zinc/71/89/08/358718908.db2.gz OEENMNRZLVWGHZ-OAHLLOKOSA-N 1 0 294.420 1.819 40 0 CDABRO COCC[N@@H+]1CCC[C@]12CCCN(c1nncs1)C2 ZINC000096203235 358719537 /nfs/dbraw/zinc/71/95/37/358719537.db2.gz VLCBRYUHASKOTF-ZDUSSCGKSA-N 1 0 282.413 1.619 40 0 CDABRO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2cccs2)C3)n1 ZINC000096206863 358720400 /nfs/dbraw/zinc/72/04/00/358720400.db2.gz GXAKPJFLLQJWRZ-BXUZGUMPSA-N 1 0 291.376 1.840 40 0 CDABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](C)[C@@H]2C1 ZINC000096251815 358727400 /nfs/dbraw/zinc/72/74/00/358727400.db2.gz DVLZWPLMKDAPIO-CVEARBPZSA-N 1 0 258.365 1.881 40 0 CDABRO CCc1ncnc2c1CC[N@H+](CC1CCOCC1)CC2 ZINC000096255049 358727763 /nfs/dbraw/zinc/72/77/63/358727763.db2.gz NKIWHBZPQXDMCA-UHFFFAOYSA-N 1 0 275.396 1.866 40 0 CDABRO [NH3+]C[C@@H]1CCN(Cc2ccccc2Cl)S1(=O)=O ZINC000222537232 359351910 /nfs/dbraw/zinc/35/19/10/359351910.db2.gz CGFUPRUYEAACNA-JTQLQIEISA-N 1 0 274.773 1.203 40 0 CDABRO [NH3+]C[C@@H]1CCN(c2cccc3ccccc32)S1(=O)=O ZINC000222545426 359353269 /nfs/dbraw/zinc/35/32/69/359353269.db2.gz OKJMFAPYYFWCGT-LBPRGKRZSA-N 1 0 276.361 1.707 40 0 CDABRO O=C(c1ccc(F)cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932292 359509193 /nfs/dbraw/zinc/50/91/93/359509193.db2.gz KSIOZKMXVGXATP-NSHDSACASA-N 1 0 266.291 1.885 40 0 CDABRO CCCNC(=O)c1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000225486794 359594761 /nfs/dbraw/zinc/59/47/61/359594761.db2.gz DPHLOWSAHDJOOY-UHFFFAOYSA-N 1 0 276.384 1.160 40 0 CDABRO CC(C)CN1CC2(C1)C[N@H+](CC(C)C)C[C@@H]1C[C@@H](O)CN12 ZINC000514290058 360126199 /nfs/dbraw/zinc/12/61/99/360126199.db2.gz SCZWLYRQCAFKJC-JKSUJKDBSA-N 1 0 295.471 1.104 40 0 biogenic,in-vitro CDABRO C[NH+](C)CC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000181203550 189290933 /nfs/dbraw/zinc/29/09/33/189290933.db2.gz DJMFAVWBDQYZQM-CQSZACIVSA-N 1 0 262.353 1.018 40 0 CDABRO CCOC(=O)[C@H](C[NH2+]C)Cc1cccc(OC)c1 ZINC000012649801 361258296 /nfs/dbraw/zinc/25/82/96/361258296.db2.gz FRQIOTRZRKCSPQ-LBPRGKRZSA-N 1 0 251.326 1.636 40 0 CDABRO COCCn1nnnc1[C@H](C(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000245227944 369947087 /nfs/dbraw/zinc/94/70/87/369947087.db2.gz ZMZONOIDJMWUHZ-STQMWFEESA-N 1 0 281.404 1.749 40 0 CDABRO COc1ccc(CC[NH2+]Cc2ccn(C)n2)cc1OC ZINC000002536462 372352125 /nfs/dbraw/zinc/35/21/25/372352125.db2.gz YDLXNRCMMWTFSP-UHFFFAOYSA-N 1 0 275.352 1.770 40 0 CDABRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccnc2ccncc21 ZINC000333304432 205200744 /nfs/dbraw/zinc/20/07/44/205200744.db2.gz QOQUZFVCSUPXGH-ZDUSSCGKSA-N 1 0 270.336 1.500 40 0 CDABRO CC(C)c1cnc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)s1 ZINC000333404225 205292498 /nfs/dbraw/zinc/29/24/98/205292498.db2.gz ZBKDSACAGXYFNV-JTQLQIEISA-N 1 0 298.412 1.767 40 0 CDABRO CC[C@@H](O)C[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000075752831 374046172 /nfs/dbraw/zinc/04/61/72/374046172.db2.gz KHLDFHFFDNYEIX-QGZVFWFLSA-N 1 0 291.439 1.511 40 0 CDABRO Cc1cccc(OC[C@@H](O)CN2CCC[NH2+]CC2)c1 ZINC000064875927 374241431 /nfs/dbraw/zinc/24/14/31/374241431.db2.gz XDAXKENFTDFOCV-AWEZNQCLSA-N 1 0 264.369 1.030 40 0 CDABRO COCCOC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000225484837 374495296 /nfs/dbraw/zinc/49/52/96/374495296.db2.gz PWWLQOIJQFGOTG-OAHLLOKOSA-N 1 0 292.379 1.340 40 0 CDABRO CCC(CC)C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000079050239 374765012 /nfs/dbraw/zinc/76/50/12/374765012.db2.gz ZRBAMIMVYYEBFQ-ZDUSSCGKSA-N 1 0 269.433 1.565 40 0 CDABRO Cc1nc(CN2CCO[C@@H]3CC[NH2+]CC[C@H]32)cs1 ZINC000306130633 374968648 /nfs/dbraw/zinc/96/86/48/374968648.db2.gz JLRUEONTSMDGPS-CHWSQXEVSA-N 1 0 267.398 1.404 40 0 CDABRO O=C(C[C@H]1OC[C@H]2C[NH2+]CC[C@H]21)N1CCCCC1 ZINC000306142317 374971966 /nfs/dbraw/zinc/97/19/66/374971966.db2.gz WVVSBNJKMWJCNZ-JHJVBQTASA-N 1 0 252.358 1.014 40 0 CDABRO Cc1ncc(-c2nccnc2C2CC[NH+](C)CC2)n1C ZINC000257213183 190012973 /nfs/dbraw/zinc/01/29/73/190012973.db2.gz CGMBQJUQELXUFU-UHFFFAOYSA-N 1 0 271.368 1.995 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@H]1O ZINC000257218420 190014145 /nfs/dbraw/zinc/01/41/45/190014145.db2.gz DDBZPAPLCNUTLQ-IAGOWNOFSA-N 1 0 298.386 1.516 40 0 CDABRO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[NH2+]C1 ZINC000257216687 190014204 /nfs/dbraw/zinc/01/42/04/190014204.db2.gz CVRLCGLFHZJVIC-INIZCTEOSA-N 1 0 285.347 1.610 40 0 CDABRO Cc1nc[nH]c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257251011 190020385 /nfs/dbraw/zinc/02/03/85/190020385.db2.gz JPAFUHPQEBEJJI-OAHLLOKOSA-N 1 0 256.353 1.865 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2ccnc(C)n2)cc1 ZINC000257256940 190021763 /nfs/dbraw/zinc/02/17/63/190021763.db2.gz KNLVFDWVNUQVCC-QGZVFWFLSA-N 1 0 298.390 1.940 40 0 CDABRO Cn1cncc1-c1nccnc1CC1CC[NH+](C)CC1 ZINC000257258892 190021934 /nfs/dbraw/zinc/02/19/34/190021934.db2.gz KVYINAHBKSHACD-UHFFFAOYSA-N 1 0 271.368 1.761 40 0 CDABRO COC[C@@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001097 375774923 /nfs/dbraw/zinc/77/49/23/375774923.db2.gz ZYNPKUQUMYUHDL-RYUDHWBXSA-N 1 0 289.784 1.478 40 0 CDABRO Cn1nccc1-c1cncc(C2CC[NH+](C)CC2)n1 ZINC000257299848 190029384 /nfs/dbraw/zinc/02/93/84/190029384.db2.gz RRWFFJUPJHLRIH-UHFFFAOYSA-N 1 0 257.341 1.686 40 0 CDABRO Cc1cc(C)c(C)c(OC[C@H](O)C[NH2+]C(C)(C)CO)c1 ZINC000026780649 376318814 /nfs/dbraw/zinc/31/88/14/376318814.db2.gz QHBYYEICFVIXJN-CQSZACIVSA-N 1 0 281.396 1.712 40 0 CDABRO CC(C)[C@H]1CN([C@@H]2CCN(C3CCC3)C2=O)CC[NH2+]1 ZINC000631824881 376651398 /nfs/dbraw/zinc/65/13/98/376651398.db2.gz STPQMTFGEXXOPV-ZIAGYGMSSA-N 1 0 265.401 1.070 40 0 CDABRO CN(C)Cc1cc(CC2([NH2+]C3CCC3)COC2)no1 ZINC000067897791 377285564 /nfs/dbraw/zinc/28/55/64/377285564.db2.gz VAZRNEXQGMMWLC-UHFFFAOYSA-N 1 0 265.357 1.190 40 0 biogenic,in-vitro CDABRO C[N@@H+]1CCC[C@@](O)(CN2CCCc3ccccc32)C1 ZINC000040715100 378606498 /nfs/dbraw/zinc/60/64/98/378606498.db2.gz XHIKUFFARCIEDD-INIZCTEOSA-N 1 0 260.381 1.896 40 0 CDABRO Cc1ccc(C)c(CC(=O)NCC2CC[NH2+]CC2)c1 ZINC000053142239 378741924 /nfs/dbraw/zinc/74/19/24/378741924.db2.gz OZASCJJPORAGHJ-UHFFFAOYSA-N 1 0 260.381 1.962 40 0 CDABRO C[C@@H]1C[C@H]2CC(=O)[C@H]3CCC[N@@H+]4CCC[C@@]2(O)[C@]34C1 ZINC000071789561 379637466 /nfs/dbraw/zinc/63/74/66/379637466.db2.gz DBMXKPOCXQNWOQ-WALBABNVSA-N 1 0 263.381 1.981 40 0 biogenic CDABRO CCS(=O)(=O)[C@@H]1[C@H](C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000252516402 256690372 /nfs/dbraw/zinc/69/03/72/256690372.db2.gz SIXQGMGVEFVBGH-IJLUTSLNSA-N 1 0 273.785 1.815 40 0 CDABRO CC(=O)N1Cc2cc(F)ccc2C2(CC[NH2+]CC2)C1 ZINC000096261753 256838839 /nfs/dbraw/zinc/83/88/39/256838839.db2.gz KRUJGBFVEBFBCH-UHFFFAOYSA-N 1 0 262.328 1.809 40 0 CDABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@H]12 ZINC000096251823 256834761 /nfs/dbraw/zinc/83/47/61/256834761.db2.gz BSRQBGMBKLMXBC-LSDHHAIUSA-N 1 0 294.420 1.294 40 0 CDABRO C[C@H]1C[NH2+]Cc2cc3cc4c(cc3nc2O1)OCO4 ZINC000019497784 390228144 /nfs/dbraw/zinc/22/81/44/390228144.db2.gz WZGLAJNOWWAQKY-QMMMGPOBSA-N 1 0 258.277 1.834 40 0 CDABRO Cc1ccc(-n2ncc3c2nc[nH+]c3NN)c(C)c1 ZINC000040217211 390421288 /nfs/dbraw/zinc/42/12/88/390421288.db2.gz QEJCWFSUEQPUKO-UHFFFAOYSA-N 1 0 254.297 1.718 40 0 CDABRO CCOc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)cc1 ZINC000072397640 390628356 /nfs/dbraw/zinc/62/83/56/390628356.db2.gz QQIFUIXIROAAQF-VNQPRFMTSA-N 1 0 290.407 1.725 40 0 CDABRO CCn1ncc2c1[C@@H](COC)C[N@H+](CC1CCOCC1)C2 ZINC000096060166 390912429 /nfs/dbraw/zinc/91/24/29/390912429.db2.gz YBRPUZGRFWIHCW-OAHLLOKOSA-N 1 0 293.411 1.875 40 0 CDABRO CC[NH+](CC)CCCNCC(=O)Nc1nc(C)cs1 ZINC000026439613 391106172 /nfs/dbraw/zinc/10/61/72/391106172.db2.gz BYETZNJWAAKOPL-UHFFFAOYSA-N 1 0 284.429 1.712 40 0 CDABRO Cc1cc(C)nc(N2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)n1 ZINC000257335000 392978068 /nfs/dbraw/zinc/97/80/68/392978068.db2.gz YIGIMYIDCXJDDF-HNNXBMFYSA-N 1 0 299.378 1.957 40 0 CDABRO Cn1cc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)cn1 ZINC000108222856 393013349 /nfs/dbraw/zinc/01/33/49/393013349.db2.gz NCAMOZYNKFWSLB-CVEARBPZSA-N 1 0 290.411 1.105 40 0 CDABRO O=C(OCC1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000005001349 170052899 /nfs/dbraw/zinc/05/28/99/170052899.db2.gz QHLJTNJDYNKZRB-UHFFFAOYSA-N 1 0 263.293 1.572 40 0 CDABRO CCCCCC[NH2+]CCOCCOCCOCCO ZINC000005418106 170096888 /nfs/dbraw/zinc/09/68/88/170096888.db2.gz JDYSXONQNKCYFN-UHFFFAOYSA-N 1 0 277.405 1.198 40 0 CDABRO CCn1c(=O)c2ccccc2n(CCC[NH+](C)C)c1=O ZINC000005477483 170103200 /nfs/dbraw/zinc/10/32/00/170103200.db2.gz DWXZBINQQFTODL-UHFFFAOYSA-N 1 0 275.352 1.135 40 0 CDABRO COc1cccc(OC)c1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000005831264 170145048 /nfs/dbraw/zinc/14/50/48/170145048.db2.gz RCICGTSSMVZUNC-LLVKDONJSA-N 1 0 283.368 1.832 40 0 CDABRO O=C(CN1CCOCC1)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000020458668 171209052 /nfs/dbraw/zinc/20/90/52/171209052.db2.gz SDSXUQAOBNTGTH-CABCVRRESA-N 1 0 296.411 1.126 40 0 CDABRO CC[NH+](CC)CCNCC(=O)N1CCc2ccccc21 ZINC000022586238 171393170 /nfs/dbraw/zinc/39/31/70/171393170.db2.gz WOHBCDZPLWCCEH-UHFFFAOYSA-N 1 0 275.396 1.507 40 0 CDABRO Brc1cccc(C[C@H]2C[NH2+]CCO2)c1 ZINC000071577322 176205604 /nfs/dbraw/zinc/20/56/04/176205604.db2.gz JZSMLWHPLCJHPT-NSHDSACASA-N 1 0 256.143 1.980 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(O)C[NH3+])C1 ZINC000072208057 176342661 /nfs/dbraw/zinc/34/26/61/176342661.db2.gz JIBIFMUBOQYMBV-GXFFZTMASA-N 1 0 258.362 1.343 40 0 CDABRO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)Cc1ccccc1 ZINC000072343343 176371417 /nfs/dbraw/zinc/37/14/17/176371417.db2.gz TUJCCSXZNGGASX-AWEZNQCLSA-N 1 0 282.409 1.590 40 0 CDABRO COCCN1CC=CC[C@@H](C2CC[NH2+]CC2)C1=O ZINC000072353534 176374543 /nfs/dbraw/zinc/37/45/43/176374543.db2.gz LHBXNRUPMPVKKZ-ZDUSSCGKSA-N 1 0 252.358 1.037 40 0 CDABRO Cc1ccccc1OC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072367787 176382964 /nfs/dbraw/zinc/38/29/64/176382964.db2.gz YECAZPPPFCCAAV-CYBMUJFWSA-N 1 0 262.353 1.571 40 0 CDABRO Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)C2C[NH2+]C2)n1 ZINC000072388382 176393205 /nfs/dbraw/zinc/39/32/05/176393205.db2.gz RJFRLBCQFAOKAI-OAHLLOKOSA-N 1 0 274.368 1.150 40 0 CDABRO c1nc2sc3c(c2c(N2CC[NH2+]CC2)n1)CCCC3 ZINC000003037890 275076954 /nfs/dbraw/zinc/07/69/54/275076954.db2.gz BSHUTAUVQRSTAN-UHFFFAOYSA-N 1 0 274.393 1.980 40 0 CDABRO Cc1cc(=O)[nH]c(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000041601562 280301228 /nfs/dbraw/zinc/30/12/28/280301228.db2.gz FKNFZSDNDXUMBJ-UHFFFAOYSA-N 1 0 264.373 1.799 40 0 CDABRO C[C@@H]1C[NH2+]Cc2cc3cc4c(cc3nc2O1)OCO4 ZINC000019497783 288326793 /nfs/dbraw/zinc/32/67/93/288326793.db2.gz WZGLAJNOWWAQKY-MRVPVSSYSA-N 1 0 258.277 1.834 40 0 CDABRO C[NH+](C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004214578 289166537 /nfs/dbraw/zinc/16/65/37/289166537.db2.gz UXQDWARBDDDTKG-UHFFFAOYSA-N 1 0 280.412 1.650 40 0 in-man CDABRO C[NH+](C)C[C@H]1Cn2nccc2CN(C2CCOCC2)C1 ZINC000248125752 289218526 /nfs/dbraw/zinc/21/85/26/289218526.db2.gz OOAAYXFQBSKOPZ-CYBMUJFWSA-N 1 0 278.400 1.056 40 0 CDABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)CC(C)C)C2)C1 ZINC000306125194 293214221 /nfs/dbraw/zinc/21/42/21/293214221.db2.gz CISPDMZACOVLRI-ZDUSSCGKSA-N 1 0 268.401 1.602 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2cccnc2)N1 ZINC000022238413 295210729 /nfs/dbraw/zinc/21/07/29/295210729.db2.gz NEHAMUZNKPUGBN-LBPRGKRZSA-N 1 0 292.302 1.079 40 0 CDABRO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000237983930 303432261 /nfs/dbraw/zinc/43/22/61/303432261.db2.gz ZHUZKEZCFHWMKK-RBSFLKMASA-N 1 0 274.364 1.833 40 0 CDABRO CC(C)Nc1ncc(C[NH2+]CCOc2ccccn2)cn1 ZINC000062717657 333176085 /nfs/dbraw/zinc/17/60/85/333176085.db2.gz GSNOBTQKXMUBOT-UHFFFAOYSA-N 1 0 287.367 1.861 40 0 CDABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000169957694 839777829 /nfs/dbraw/zinc/77/78/29/839777829.db2.gz DMRJYLJTODXKLN-NSHDSACASA-N 1 0 278.352 1.984 40 0 CDABRO CC(=O)NC1CCC([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001560403759 960944935 /nfs/dbraw/zinc/94/49/35/960944935.db2.gz QEYBOWCMMAQMKL-UHFFFAOYSA-N 1 0 278.420 1.625 40 0 CDABRO COCC[N@@H+]1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096041830 185070052 /nfs/dbraw/zinc/07/00/52/185070052.db2.gz AOWLAZJHOIANGD-ARFHVFGLSA-N 1 0 292.379 1.476 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3)CC2)cn1 ZINC000096047442 185072273 /nfs/dbraw/zinc/07/22/73/185072273.db2.gz GVHQKHFCAFRZRA-CQSZACIVSA-N 1 0 262.357 1.055 40 0 CDABRO CN(C)C(=O)N1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096053842 185076723 /nfs/dbraw/zinc/07/67/23/185076723.db2.gz XEBIEWPGBGCTRB-STQMWFEESA-N 1 0 274.368 1.127 40 0 CDABRO CCn1cc2c(n1)[C@@H](COC)C[N@@H+](CC1CCOCC1)C2 ZINC000096059897 185081834 /nfs/dbraw/zinc/08/18/34/185081834.db2.gz BUBIHSRLPNNBIV-OAHLLOKOSA-N 1 0 293.411 1.875 40 0 CDABRO C[C@H]1N(C)C(=O)COC12CC[NH+](Cc1ccoc1)CC2 ZINC000096062220 185082948 /nfs/dbraw/zinc/08/29/48/185082948.db2.gz XNADSCADWSTORC-GFCCVEGCSA-N 1 0 278.352 1.491 40 0 CDABRO C[C@H]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]2O1 ZINC000096066480 185084577 /nfs/dbraw/zinc/08/45/77/185084577.db2.gz WNQOIJSVEOYFEM-FPMFFAJLSA-N 1 0 266.385 1.354 40 0 CDABRO CC(C)[NH2+]C[C@@H]1OCCc2cn(Cc3ccccn3)nc21 ZINC000096100709 185098180 /nfs/dbraw/zinc/09/81/80/185098180.db2.gz USAWIRQQHLGOSW-HNNXBMFYSA-N 1 0 286.379 1.938 40 0 CDABRO C[C@H]1Cc2nnc(COc3cncc(Cl)c3)n2CC[NH2+]1 ZINC000585097279 342211597 /nfs/dbraw/zinc/21/15/97/342211597.db2.gz HPKOYHSXUXPQEC-VIFPVBQESA-N 1 0 293.758 1.440 40 0 CDABRO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](C(C)C)C3)nc1 ZINC000585102639 342212625 /nfs/dbraw/zinc/21/26/25/342212625.db2.gz DGQJXCBVLVDQAI-CQSZACIVSA-N 1 0 290.411 1.508 40 0 CDABRO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](C(C)C)C[C@@H]21 ZINC000585109786 342213174 /nfs/dbraw/zinc/21/31/74/342213174.db2.gz UINXGFQSMRDWOG-YQQAZPJKSA-N 1 0 288.391 1.928 40 0 CDABRO C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 ZINC000585109723 342213228 /nfs/dbraw/zinc/21/32/28/342213228.db2.gz LSDMOINVPOPQBN-FETCWVNDSA-N 1 0 286.375 1.274 40 0 CDABRO CCCn1cc(N)c(C(=O)NCCC[NH+](CC)CC)n1 ZINC000685936724 539098877 /nfs/dbraw/zinc/09/88/77/539098877.db2.gz SYHRBRUQBPJIML-UHFFFAOYSA-N 1 0 281.404 1.337 40 0 CDABRO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](C(C)C)C2)c1 ZINC000585269109 342254535 /nfs/dbraw/zinc/25/45/35/342254535.db2.gz KDIZVAKGTCESJY-INIZCTEOSA-N 1 0 279.380 1.846 40 0 CDABRO CNC(=O)C[C@]1(COC)CCC[N@@H+]1Cc1ncccc1F ZINC000585276770 342256359 /nfs/dbraw/zinc/25/63/59/342256359.db2.gz IOWDUQKENUIWSW-HNNXBMFYSA-N 1 0 295.358 1.338 40 0 CDABRO C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[N@@H+]1Cc1cccc2ccccc21 ZINC000585293889 342259992 /nfs/dbraw/zinc/25/99/92/342259992.db2.gz BNBVMPHPKJIAAF-RGXXSHLXSA-N 1 0 287.359 1.127 40 0 CDABRO O=C(COC[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCOCC1 ZINC000253493688 342429807 /nfs/dbraw/zinc/42/98/07/342429807.db2.gz UZCRBOXJXRSIAX-HUUCEWRRSA-N 1 0 296.411 1.126 40 0 CDABRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133480315 362191529 /nfs/dbraw/zinc/19/15/29/362191529.db2.gz CIATYASZPCPSSE-HUUCEWRRSA-N 1 0 296.436 1.852 40 0 CDABRO Cc1nc(CN2C(=O)COC3(CC[NH2+]CC3)[C@H]2C)cs1 ZINC000306124919 201841651 /nfs/dbraw/zinc/84/16/51/201841651.db2.gz CCFNKRGABAGFDD-SNVBAGLBSA-N 1 0 295.408 1.321 40 0 CDABRO CCCn1nc([C@H](O)C2(C[NH3+])CCOCC2)cc1C ZINC000085395738 179049077 /nfs/dbraw/zinc/04/90/77/179049077.db2.gz VPGHWEYOOUDMDJ-ZDUSSCGKSA-N 1 0 267.373 1.390 40 0 CDABRO CN(C[C@@H]([NH3+])C[C@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000091301791 180129349 /nfs/dbraw/zinc/12/93/49/180129349.db2.gz YTRYLUDRIUZHKC-NEPJUHHUSA-N 1 0 272.389 1.997 40 0 CDABRO CC[C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H](C)[NH2+]1 ZINC000620903859 350373706 /nfs/dbraw/zinc/37/37/06/350373706.db2.gz HJRMERBXYVYLMZ-DTWKUNHWSA-N 1 0 272.299 1.491 40 0 CDABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccccn2)N1c1cncnc1 ZINC000107800239 186191453 /nfs/dbraw/zinc/19/14/53/186191453.db2.gz XJBGVXAKVUSHQZ-LSDHHAIUSA-N 1 0 295.346 1.251 40 0 CDABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1ccncc1F)C2 ZINC000108527213 186221509 /nfs/dbraw/zinc/22/15/09/186221509.db2.gz VBVVNXSNRFQXMH-UHFFFAOYSA-N 1 0 277.343 1.777 40 0 CDABRO CC(C)(C[NH2+][C@H]1COC(C)(C)C1)C1(O)CCOCC1 ZINC000333523150 363009864 /nfs/dbraw/zinc/00/98/64/363009864.db2.gz GWSLBZONWLUWQW-GFCCVEGCSA-N 1 0 271.401 1.711 40 0 CDABRO COCC[NH2+]CCNC(=O)c1cc(C)cc(C)c1 ZINC000152268431 188006325 /nfs/dbraw/zinc/00/63/25/188006325.db2.gz QWBNNFIPGKSTLC-UHFFFAOYSA-N 1 0 250.342 1.269 40 0 CDABRO NC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000001664907 355945106 /nfs/dbraw/zinc/94/51/06/355945106.db2.gz YSDMBLLTRZYVKV-LLVKDONJSA-N 1 0 257.337 1.865 40 0 CDABRO Cc1ccc(S(=O)(=O)CCc2cc[n+](C)cc2)cc1 ZINC000001758920 355951338 /nfs/dbraw/zinc/95/13/38/355951338.db2.gz IHUOHCQYIQGBHA-UHFFFAOYSA-N 1 0 276.381 1.836 40 0 CDABRO CC[NH+](CC)CCOC[C@H](O)COc1ccccc1OC ZINC000002019914 355958249 /nfs/dbraw/zinc/95/82/49/355958249.db2.gz DHCZIHSQOICDAY-AWEZNQCLSA-N 1 0 297.395 1.793 40 0 in-man CDABRO Nc1nc(CN2CCCC2)nc(-c2ccccc2[O-])n1 ZINC000036611957 356406908 /nfs/dbraw/zinc/40/69/08/356406908.db2.gz PBZWNLBTTCXYPS-UHFFFAOYSA-N 1 0 271.324 1.422 40 0 CDABRO COc1ccccc1NC(=O)NCCC[NH+](C)C ZINC000018174992 356469516 /nfs/dbraw/zinc/46/95/16/356469516.db2.gz IWCQHXIMOCWNBI-UHFFFAOYSA-N 1 0 251.330 1.768 40 0 CDABRO CC(C)N(C[C@@H]1CCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408516 356992080 /nfs/dbraw/zinc/99/20/80/356992080.db2.gz IRURXPHXOBTBIY-CYBMUJFWSA-N 1 0 285.432 1.913 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079409106 356992272 /nfs/dbraw/zinc/99/22/72/356992272.db2.gz ISTQEHSNHMVKSU-WDEREUQCSA-N 1 0 285.388 1.239 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@@H]1CCN(C(=O)C[NH3+])C1)C1CC1 ZINC000079409361 356992552 /nfs/dbraw/zinc/99/25/52/356992552.db2.gz BOBYVWJKUIZGBX-LLVKDONJSA-N 1 0 297.399 1.193 40 0 CDABRO CC(C)N(Cc1ccc(Br)nc1)C(=O)C[NH3+] ZINC000079421523 356996740 /nfs/dbraw/zinc/99/67/40/356996740.db2.gz JPFOFMOIPNZUII-UHFFFAOYSA-N 1 0 286.173 1.540 40 0 CDABRO CC(C)N(Cc1ccnc(Br)c1)C(=O)C[NH3+] ZINC000079421568 356996755 /nfs/dbraw/zinc/99/67/55/356996755.db2.gz HXZREFKSQROHLE-UHFFFAOYSA-N 1 0 286.173 1.540 40 0 CDABRO COC(=O)[C@H]1[C@H](O)CCCN1C/C=C/c1ccc(F)cc1 ZINC000188777743 357863488 /nfs/dbraw/zinc/86/34/88/357863488.db2.gz GNPIIJANHDIJPC-PYZSFPMPSA-N 1 0 293.338 1.837 40 0 CDABRO Cc1ccc(C(=O)N2CC3(C2)C[C@H](CO)C[N@H+]3C)cc1F ZINC000585093817 358098683 /nfs/dbraw/zinc/09/86/83/358098683.db2.gz HLRCQEFDDONVJI-LBPRGKRZSA-N 1 0 292.354 1.273 40 0 CDABRO COc1ccc(Br)cc1COC[C@@H](O)C[NH3+] ZINC000095096242 366432185 /nfs/dbraw/zinc/43/21/85/366432185.db2.gz SETQNQLAEVDELN-JTQLQIEISA-N 1 0 290.157 1.294 40 0 CDABRO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000072795592 358700654 /nfs/dbraw/zinc/70/06/54/358700654.db2.gz NQJCXMARGIELPT-SECBINFHSA-N 1 0 291.273 1.565 40 0 CDABRO CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+](CC1CC1)C2 ZINC000096050231 358707534 /nfs/dbraw/zinc/70/75/34/358707534.db2.gz MAIBPRJJOSTXFY-SFHVURJKSA-N 1 0 299.418 1.820 40 0 CDABRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@H]1CCOC1 ZINC000096184590 358714049 /nfs/dbraw/zinc/71/40/49/358714049.db2.gz FVUCYKDGHVQXKR-UHTWSYAYSA-N 1 0 293.392 1.221 40 0 CDABRO CCc1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)o1 ZINC000096201324 358718035 /nfs/dbraw/zinc/71/80/35/358718035.db2.gz ULDGBQDICGECKJ-UHFFFAOYSA-N 1 0 278.352 1.323 40 0 CDABRO Cc1cccc(C[NH+]2CCC3(CC2)OCC(=O)N[C@H]3C)n1 ZINC000096201482 358718566 /nfs/dbraw/zinc/71/85/66/358718566.db2.gz XNTSWPSPSMLPGF-ZDUSSCGKSA-N 1 0 289.379 1.260 40 0 CDABRO Cc1nnc(C[C@@H]2OC[C@H]3C[N@@H+](C4CCC4)CC[C@H]32)o1 ZINC000096207534 358719981 /nfs/dbraw/zinc/71/99/81/358719981.db2.gz UTGFYRBETRGTOR-BNOWGMLFSA-N 1 0 277.368 1.810 40 0 CDABRO c1ccc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)nc1 ZINC000096229369 358723656 /nfs/dbraw/zinc/72/36/56/358723656.db2.gz HBWBTQHTDHZYKX-OAHLLOKOSA-N 1 0 261.369 1.284 40 0 CDABRO Cc1cccc(C[N@H+]2CC[C@@]3(C[C@@H]3C(=O)N(C)C)C2)n1 ZINC000096228627 358724245 /nfs/dbraw/zinc/72/42/45/358724245.db2.gz SYWZZOGEMGYICF-GDBMZVCRSA-N 1 0 273.380 1.690 40 0 CDABRO Cc1ncnc2c1CC[N@H+](Cc1cccnc1)CC2 ZINC000096254958 358728032 /nfs/dbraw/zinc/72/80/32/358728032.db2.gz YNRBLBIZVNLHTH-UHFFFAOYSA-N 1 0 254.337 1.781 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CSCC[NH2+]2 ZINC000096950749 358742084 /nfs/dbraw/zinc/74/20/84/358742084.db2.gz AZTNWANRFKZKKM-GFCCVEGCSA-N 1 0 258.387 1.702 40 0 CDABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2COC2)CC1 ZINC000100554508 358831534 /nfs/dbraw/zinc/83/15/34/358831534.db2.gz BOTMINKNJFEMCS-PHIMTYICSA-N 1 0 270.373 1.811 40 0 CDABRO Cc1ccc(N2CC[C@@H](C[NH3+])S2(=O)=O)c(C)c1 ZINC000222540342 359352672 /nfs/dbraw/zinc/35/26/72/359352672.db2.gz JEXCSOUHLBVDDG-NSHDSACASA-N 1 0 254.355 1.171 40 0 CDABRO [NH3+]C[C@H]1CCN(c2ccc(Cl)cc2)S1(=O)=O ZINC000222543496 359353313 /nfs/dbraw/zinc/35/33/13/359353313.db2.gz DWDWWRYQUYPEGJ-SNVBAGLBSA-N 1 0 260.746 1.207 40 0 CDABRO O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@H+](CC2CC2)C1 ZINC000015674060 360734608 /nfs/dbraw/zinc/73/46/08/360734608.db2.gz CHDLMXGXJBGRNC-PWSUYJOCSA-N 1 0 287.323 1.044 40 0 biogenic,in-vitro CDABRO CCC[C@@H]1[C@H](C)CCCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333756632 283678350 /nfs/dbraw/zinc/67/83/50/283678350.db2.gz ZVQKCAHMLMCMEN-QLFBSQMISA-N 1 0 297.443 1.975 40 0 CDABRO O=C([C@H]1CCCO1)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426474 296111715 /nfs/dbraw/zinc/11/17/15/296111715.db2.gz BXWAOZFKYDPKHU-OCCSQVGLSA-N 1 0 252.358 1.158 40 0 CDABRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(Cl)o1)CC2 ZINC000332229533 204541310 /nfs/dbraw/zinc/54/13/10/204541310.db2.gz LUPHMVFIQCKPRL-VIFPVBQESA-N 1 0 296.758 1.776 40 0 CDABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@H]2[NH3+])cc1 ZINC000218496013 372918642 /nfs/dbraw/zinc/91/86/42/372918642.db2.gz BDLRAUUMHXAQOZ-RWMBFGLXSA-N 1 0 253.367 1.477 40 0 CDABRO O=S(=O)(c1ccc(O[C@H]2CC[NH2+]C2)cc1)C(F)(F)F ZINC000051868337 374020673 /nfs/dbraw/zinc/02/06/73/374020673.db2.gz UBAOXUOVMLMLIW-VIFPVBQESA-N 1 0 295.282 1.721 40 0 CDABRO Cc1cc(C[NH2+]C[C@@H](O)c2ccco2)ccc1-n1cncn1 ZINC000080189008 374872307 /nfs/dbraw/zinc/87/23/07/374872307.db2.gz UMDNUKQIXOBRBE-OAHLLOKOSA-N 1 0 298.346 1.992 40 0 CDABRO c1cc(N2CCOCC2)cn2nc([C@@H]3CCC[NH2+]C3)nc12 ZINC000306132185 374970159 /nfs/dbraw/zinc/97/01/59/374970159.db2.gz LBCJYYUEXKRLPY-GFCCVEGCSA-N 1 0 287.367 1.033 40 0 CDABRO [NH3+]CCSc1nnc2sc3ccccc3n12 ZINC000095533213 374979082 /nfs/dbraw/zinc/97/90/82/374979082.db2.gz XJCPVSIEWTVECT-UHFFFAOYSA-N 1 0 250.352 1.995 40 0 CDABRO CCCn1nc(C)cc1C[NH2+]CCN1CCOCC1 ZINC000256053866 190004650 /nfs/dbraw/zinc/00/46/50/190004650.db2.gz TYGTVGFVLXOEOS-UHFFFAOYSA-N 1 0 266.389 1.023 40 0 CDABRO COc1ccccc1C[N@@H+]1C[C@H](O)[C@]2(CCCO2)C1 ZINC000257204988 190011746 /nfs/dbraw/zinc/01/17/46/190011746.db2.gz AXDIQIOYALNIEN-GJZGRUSLSA-N 1 0 263.337 1.421 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000257207959 190012009 /nfs/dbraw/zinc/01/20/09/190012009.db2.gz BKBRXZHZNGLLDB-INIZCTEOSA-N 1 0 294.370 1.283 40 0 CDABRO Cn1cc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257210209 190012302 /nfs/dbraw/zinc/01/23/02/190012302.db2.gz BTQWUVZYPKCXSJ-INIZCTEOSA-N 1 0 270.380 1.909 40 0 CDABRO C[NH2+]CC(=O)N1CCC(C)(c2ncc(C)s2)CC1 ZINC000257224353 190015609 /nfs/dbraw/zinc/01/56/09/190015609.db2.gz FBLWXHJEIMSDMH-UHFFFAOYSA-N 1 0 267.398 1.551 40 0 CDABRO C[C@H]1C(=O)N(C)CCN1CCCCC1CCOCC1 ZINC000225628743 375698033 /nfs/dbraw/zinc/69/80/33/375698033.db2.gz UEFRLNSBKFGCFW-ZDUSSCGKSA-N 1 0 268.401 1.746 40 0 CDABRO CCOCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C ZINC000257236023 190016743 /nfs/dbraw/zinc/01/67/43/190016743.db2.gz HANLRJWLQBGLRN-ZFWWWQNUSA-N 1 0 268.401 1.888 40 0 CDABRO C[C@]1(O)C[N@H+](CCO)CC[C@@H]1Oc1cccc(F)c1 ZINC000257233623 190017012 /nfs/dbraw/zinc/01/70/12/190017012.db2.gz GQACYCORNISSSC-KBPBESRZSA-N 1 0 269.316 1.022 40 0 CDABRO Cn1nccc1-c1nccnc1C[C@H]1CCC[NH2+]C1 ZINC000257221596 190014800 /nfs/dbraw/zinc/01/48/00/190014800.db2.gz DPUBPRWABMHWCH-LLVKDONJSA-N 1 0 257.341 1.419 40 0 CDABRO Cc1cc(C)n(CC(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000257245190 190019008 /nfs/dbraw/zinc/01/90/08/190019008.db2.gz IOLRHCOFIKJSCF-LSDHHAIUSA-N 1 0 290.411 1.491 40 0 CDABRO C[C@@H]1COC(=O)N1c1cc(CC2CC[NH2+]CC2)ncn1 ZINC000257248057 190020414 /nfs/dbraw/zinc/02/04/14/190020414.db2.gz JBVCMDOXPJYZBN-SNVBAGLBSA-N 1 0 276.340 1.364 40 0 CDABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000257280250 190025790 /nfs/dbraw/zinc/02/57/90/190025790.db2.gz OKBWDCUXPBBBBR-LBPRGKRZSA-N 1 0 297.362 1.292 40 0 CDABRO [NH3+][C@H]1CN(Cc2ccccc2)C[C@H]1CCc1cc(=O)[nH][nH]1 ZINC000257305961 190031354 /nfs/dbraw/zinc/03/13/54/190031354.db2.gz SSGHRKQLAJRJPS-HIFRSBDPSA-N 1 0 286.379 1.095 40 0 CDABRO [NH3+][C@H]1COC[C@H]1Nc1ccc(Br)cc1 ZINC000218677883 375875949 /nfs/dbraw/zinc/87/59/49/375875949.db2.gz IILXTQZNDGXSNQ-VHSXEESVSA-N 1 0 257.131 1.587 40 0 CDABRO Cn1ccnc1-c1nccnc1C[C@H]1CCC[N@H+](C)C1 ZINC000257326727 190034528 /nfs/dbraw/zinc/03/45/28/190034528.db2.gz WYJJQFDELCXILW-GFCCVEGCSA-N 1 0 271.368 1.761 40 0 CDABRO [NH3+]CC(=O)NCCc1nc(-c2ccccc2Cl)no1 ZINC000072220504 256707795 /nfs/dbraw/zinc/70/77/95/256707795.db2.gz SECOXTUOHUALMS-UHFFFAOYSA-N 1 0 280.715 1.007 40 0 CDABRO CC(C)Oc1nc(N2CC[NH2+]CC2)nc2c1CCC2 ZINC000001587087 390140087 /nfs/dbraw/zinc/14/00/87/390140087.db2.gz JYDFRVILGNWNAF-UHFFFAOYSA-N 1 0 262.357 1.162 40 0 CDABRO O[C@H]1CC=C2CC[N@@H+]3Cc4cc5c(cc4[C@H]1[C@H]23)OCO5 ZINC000005734931 285361389 /nfs/dbraw/zinc/36/13/89/285361389.db2.gz XKYSLILSDJBMCU-MAZHCROVSA-N 1 0 271.316 1.778 40 0 CDABRO Cc1cnc(N2CCC3(C[C@H]([NH+](C)C)CO3)CC2)nc1 ZINC000096158619 390913265 /nfs/dbraw/zinc/91/32/65/390913265.db2.gz FMYUIHQLPBCGHT-ZDUSSCGKSA-N 1 0 276.384 1.475 40 0 CDABRO O=C(c1ccc(F)cc1)N1CCC2(CC1)C[NH2+]CCO2 ZINC000096157232 390913270 /nfs/dbraw/zinc/91/32/70/390913270.db2.gz DUUABCFYAHCACG-UHFFFAOYSA-N 1 0 278.327 1.420 40 0 CDABRO Cc1ccc(N2C(=O)C[C@@]3(CCC[NH2+]C3)C2=O)cc1 ZINC000096157216 390913342 /nfs/dbraw/zinc/91/33/42/390913342.db2.gz OUQQUODRWZUVOE-OAHLLOKOSA-N 1 0 258.321 1.628 40 0 CDABRO Cc1cc(=O)[nH]c2c1c(=O)[nH]n2[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000008586240 390968942 /nfs/dbraw/zinc/96/89/42/390968942.db2.gz MVFIEUFRENOXDE-DCAQKATOSA-N 1 0 290.367 1.228 40 0 CDABRO CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000195575879 391390306 /nfs/dbraw/zinc/39/03/06/391390306.db2.gz LVHKJWZGIVLNCW-MCIONIFRSA-N 1 0 286.441 1.602 40 0 CDABRO C[C@@]12C[C@H]3CN(C(=O)c4ncccn4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257201527 391648136 /nfs/dbraw/zinc/64/81/36/391648136.db2.gz AHZHMHZCDFZEGA-JFILPPLUSA-N 1 0 286.379 1.612 40 0 CDABRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000005831252 170144988 /nfs/dbraw/zinc/14/49/88/170144988.db2.gz RCICGTSSMVZUNC-NSHDSACASA-N 1 0 283.368 1.832 40 0 CDABRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000019385566 170778884 /nfs/dbraw/zinc/77/88/84/170778884.db2.gz OUYBZAUELOASGF-NSHDSACASA-N 1 0 262.309 1.287 40 0 CDABRO C[C@@]12COC[C@]1(C)CN(C(=O)NCCC1CC[NH2+]CC1)C2 ZINC000659560159 413970748 /nfs/dbraw/zinc/97/07/48/413970748.db2.gz JMGCIDBDLZGCEE-IYBDPMFKSA-N 1 0 295.427 1.444 40 0 CDABRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccs1 ZINC000071330622 176124143 /nfs/dbraw/zinc/12/41/43/176124143.db2.gz ZDMVTZKHQBOJQD-JTQLQIEISA-N 1 0 274.411 1.511 40 0 CDABRO Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)c(C)c1 ZINC000071813932 176269056 /nfs/dbraw/zinc/26/90/56/176269056.db2.gz WGFWLBGRBLCFFX-UHFFFAOYSA-N 1 0 275.396 1.281 40 0 CDABRO Cn1nc(C(=O)N2CCC[N@H+](CC3CC3)CC2)cc1Cl ZINC000072254254 176350334 /nfs/dbraw/zinc/35/03/34/176350334.db2.gz JBYDIOUVJHFTLY-UHFFFAOYSA-N 1 0 296.802 1.631 40 0 CDABRO CN(C(=O)COc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000072343433 176371275 /nfs/dbraw/zinc/37/12/75/176371275.db2.gz QRVULBRWOHHFPV-ZDUSSCGKSA-N 1 0 262.353 1.666 40 0 CDABRO Cc1cc(CCC(=O)N(C)C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072366409 176381193 /nfs/dbraw/zinc/38/11/93/176381193.db2.gz BJOUBLLRPHBSPO-CYBMUJFWSA-N 1 0 290.411 1.615 40 0 CDABRO Cc1nc(CCC(=O)N(C)C)cc(C2CC[NH2+]CC2)n1 ZINC000072384581 176388634 /nfs/dbraw/zinc/38/86/34/176388634.db2.gz XFEYKMPCJMUCAM-UHFFFAOYSA-N 1 0 276.384 1.273 40 0 CDABRO Cc1nc(NCc2ccccn2)cc(C2C[NH2+]C2)n1 ZINC000072386484 176391404 /nfs/dbraw/zinc/39/14/04/176391404.db2.gz XUMAIWUZDQWLPQ-UHFFFAOYSA-N 1 0 255.325 1.479 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccccc1F ZINC000072397630 176395135 /nfs/dbraw/zinc/39/51/35/176395135.db2.gz NATSZFVMWUSTQR-MRVWCRGKSA-N 1 0 264.344 1.465 40 0 CDABRO CNC(=O)C[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000096242890 265346016 /nfs/dbraw/zinc/34/60/16/265346016.db2.gz IZFPPGATHCMZGY-LBPRGKRZSA-N 1 0 274.364 1.811 40 0 CDABRO O=C1C[C@]2(CCC[NH2+]C2)C(=O)N1c1cccc(Cl)c1 ZINC000096088756 275020987 /nfs/dbraw/zinc/02/09/87/275020987.db2.gz MTHVDEOSCPPOMQ-AWEZNQCLSA-N 1 0 278.739 1.973 40 0 CDABRO CC(=O)N(C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1)C1CC1 ZINC000079418111 276951279 /nfs/dbraw/zinc/95/12/79/276951279.db2.gz IAYOPOCIUJYPMQ-ZFWWWQNUSA-N 1 0 295.427 1.219 40 0 CDABRO Cc1nc(C2CC[NH2+]CC2)cc(N2C[C@H](C)OC2=O)n1 ZINC000257241752 279081427 /nfs/dbraw/zinc/08/14/27/279081427.db2.gz HZLZWENGAQZWHG-VIFPVBQESA-N 1 0 276.340 1.597 40 0 CDABRO C[n+]1cccc(-c2nn3c(nnc3C(F)(F)F)s2)c1 ZINC000226774025 280181244 /nfs/dbraw/zinc/18/12/44/280181244.db2.gz JJYKBTIFMBSTBO-UHFFFAOYSA-N 1 0 286.262 1.696 40 0 CDABRO CN(CC[NH+](C)C)Cc1ccnc([C@H]2CCCO2)n1 ZINC000257258676 289133015 /nfs/dbraw/zinc/13/30/15/289133015.db2.gz KVBOZRUCQAJKDI-CYBMUJFWSA-N 1 0 264.373 1.322 40 0 CDABRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CC(N)=O)CC1 ZINC000330942376 289881644 /nfs/dbraw/zinc/88/16/44/289881644.db2.gz CVPPMVKOKLTMKR-UHFFFAOYSA-N 1 0 279.340 1.628 40 0 CDABRO Cc1cc(N2CC[NH2+]C[C@@H]2c2ccccc2)ncn1 ZINC000257275628 301339188 /nfs/dbraw/zinc/33/91/88/301339188.db2.gz NQEGNYJSRJWIPY-CQSZACIVSA-N 1 0 254.337 1.936 40 0 CDABRO O=C(N1CCO[C@H](C(F)F)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711257107 844626904 /nfs/dbraw/zinc/62/69/04/844626904.db2.gz HITWASZUXVJBCH-WDMOLILDSA-N 1 0 288.338 1.401 40 0 CDABRO C[N@@H+]1CCCC[C@@H]1C1CCN(C(=O)Cn2cncn2)CC1 ZINC000019746596 342540615 /nfs/dbraw/zinc/54/06/15/342540615.db2.gz YOZWZCHKCVSZBE-CQSZACIVSA-N 1 0 291.399 1.001 40 0 CDABRO CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096057363 185077636 /nfs/dbraw/zinc/07/76/36/185077636.db2.gz BKKBZFIIRNBXKS-UPJWGTAASA-N 1 0 280.393 1.616 40 0 CDABRO C[NH+]1CCC2(CCCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC000096071781 185086233 /nfs/dbraw/zinc/08/62/33/185086233.db2.gz TZXSIDJEWVIMCR-UHFFFAOYSA-N 1 0 262.357 1.358 40 0 CDABRO Cc1cc(F)ccc1C(=O)N1C[C@@H]2C[N@H+](C)CCO[C@@H]2C1 ZINC000096107946 185099188 /nfs/dbraw/zinc/09/91/88/185099188.db2.gz XSKONUMQJQIDGX-SWLSCSKDSA-N 1 0 292.354 1.537 40 0 CDABRO CN1C[C@@]2(CCC[N@H+](CC3CC(F)(F)C3)C2)C1=O ZINC000585099565 342212211 /nfs/dbraw/zinc/21/22/11/342212211.db2.gz PRZWISQEABXXDC-GFCCVEGCSA-N 1 0 258.312 1.586 40 0 CDABRO COC(=O)[C@H](c1ccccc1F)N1CC[C@H](CCO)C1 ZINC000072687214 342427740 /nfs/dbraw/zinc/42/77/40/342427740.db2.gz SDGLQXFBKMFULS-RISCZKNCSA-N 1 0 281.327 1.744 40 0 CDABRO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@](C)(O)C(C)=O)o1 ZINC000332386907 362501294 /nfs/dbraw/zinc/50/12/94/362501294.db2.gz QCEOFVMKDGVYEC-ZFWWWQNUSA-N 1 0 281.352 1.903 40 0 CDABRO COC[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000062161073 363032822 /nfs/dbraw/zinc/03/28/22/363032822.db2.gz QZQALMPFBLRJOI-NSHDSACASA-N 1 0 267.325 1.925 40 0 CDABRO CCCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000333884060 363204293 /nfs/dbraw/zinc/20/42/93/363204293.db2.gz WUVOMSSRRXJGII-DZGCQCFKSA-N 1 0 290.411 1.897 40 0 CDABRO Cc1cccc(NCC2(CS(C)(=O)=O)CC2)[nH+]1 ZINC000157849423 188342608 /nfs/dbraw/zinc/34/26/08/188342608.db2.gz KFSJUDWBAIIUDP-UHFFFAOYSA-N 1 0 254.355 1.627 40 0 CDABRO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH3+])c2cccnc12 ZINC000158377899 188372203 /nfs/dbraw/zinc/37/22/03/188372203.db2.gz MEXFNQYVNDYEFO-UHFFFAOYSA-N 1 0 293.392 1.559 40 0 CDABRO COc1ccc(C[C@@H]([NH3+])C(=O)N2CCCCC2)cc1 ZINC000001594224 355941274 /nfs/dbraw/zinc/94/12/74/355941274.db2.gz UWBDQJUQAWOIBO-CQSZACIVSA-N 1 0 262.353 1.578 40 0 CDABRO NNc1[nH+]nc(Cc2ccncc2)c2ccccc21 ZINC000000001943 355879369 /nfs/dbraw/zinc/87/93/69/355879369.db2.gz KCASCYQNVLPVDP-UHFFFAOYSA-N 1 0 251.293 1.901 40 0 in-man CDABRO CC(C)(C)OC(=O)[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000002569682 355974786 /nfs/dbraw/zinc/97/47/86/355974786.db2.gz ITPFEPDHSLWUED-NWDGAFQWSA-N 1 0 251.326 1.259 40 0 CDABRO OCC[NH2+]CCNCc1ccc(Cl)cc1Cl ZINC000023255790 356637403 /nfs/dbraw/zinc/63/74/03/356637403.db2.gz RFKAHERXEPXKHL-UHFFFAOYSA-N 1 0 263.168 1.665 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391371 356988667 /nfs/dbraw/zinc/98/86/67/356988667.db2.gz WURSQUVCHDYVQL-RYUDHWBXSA-N 1 0 299.415 1.343 40 0 CDABRO CC(C)[N@H+](CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393522 356989050 /nfs/dbraw/zinc/98/90/50/356989050.db2.gz VCXQSAHZUMWOIS-MRXNPFEDSA-N 1 0 262.397 1.964 40 0 CDABRO CC(=O)N(C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1)C(C)C ZINC000079418055 356994596 /nfs/dbraw/zinc/99/45/96/356994596.db2.gz HPOQILBCDIDLIW-CABCVRRESA-N 1 0 297.443 1.465 40 0 CDABRO CC(=O)N(C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C(C)(C)C)C(C)C ZINC000079418008 356995752 /nfs/dbraw/zinc/99/57/52/356995752.db2.gz DWQFQTUMDQLXBQ-UONOGXRCSA-N 1 0 297.443 1.608 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccccc1F ZINC000072397566 357832940 /nfs/dbraw/zinc/83/29/40/357832940.db2.gz NATSZFVMWUSTQR-IACUBPJLSA-N 1 0 264.344 1.465 40 0 CDABRO [NH3+]C[C@@H](O)COCc1ccccc1Br ZINC000095096221 366434012 /nfs/dbraw/zinc/43/40/12/366434012.db2.gz VCNGEIFUEWNCTL-SECBINFHSA-N 1 0 260.131 1.285 40 0 CDABRO COc1cccc(-c2nsc(N3CC[NH2+]CC3)n2)c1 ZINC000206349399 358405699 /nfs/dbraw/zinc/40/56/99/358405699.db2.gz CPTBPSZNMYIMFY-UHFFFAOYSA-N 1 0 276.365 1.623 40 0 CDABRO c1cnc(N2CCC[C@@]3(C2)C[N@H+](CC2CC2)CCO3)cn1 ZINC000096049171 358706457 /nfs/dbraw/zinc/70/64/57/358706457.db2.gz AAGKATQPSPHTCY-INIZCTEOSA-N 1 0 288.395 1.558 40 0 CDABRO C[NH+](C)[C@@H]1CN(Cc2ccncc2)[C@@H]2CCCO[C@H]12 ZINC000096185756 358714097 /nfs/dbraw/zinc/71/40/97/358714097.db2.gz UUXQQYBSVQSUDO-KFWWJZLASA-N 1 0 261.369 1.375 40 0 CDABRO C[N@@H+]1C[C@@H]2C[NH+](Cc3ccsc3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185147 358714236 /nfs/dbraw/zinc/71/42/36/358714236.db2.gz AZMNDBPYGGJBRF-HIFRSBDPSA-N 1 0 294.420 1.977 40 0 CDABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2nccs2)C1 ZINC000096188187 358715501 /nfs/dbraw/zinc/71/55/01/358715501.db2.gz CUKPXCHLODZCPV-LBPRGKRZSA-N 1 0 291.424 1.533 40 0 CDABRO CCc1ccc(C[NH2+]C[C@@H]2COCc3c(C)nnn3C2)o1 ZINC000096199312 358717408 /nfs/dbraw/zinc/71/74/08/358717408.db2.gz KXKUWKNXLOMRRQ-LBPRGKRZSA-N 1 0 290.367 1.678 40 0 CDABRO Cc1cc(C[NH+]2CCC3(CC2)CNC(=O)CO3)oc1C ZINC000096201339 358718514 /nfs/dbraw/zinc/71/85/14/358718514.db2.gz SMXHJEHMSZZFEH-UHFFFAOYSA-N 1 0 278.352 1.377 40 0 CDABRO COCC(=O)N[C@@H]1COCCC12CC[NH+](C(C)C)CC2 ZINC000096209664 358721547 /nfs/dbraw/zinc/72/15/47/358721547.db2.gz TUYCGOAYFULTBF-CYBMUJFWSA-N 1 0 284.400 1.029 40 0 CDABRO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3O2)n1 ZINC000096218171 358722423 /nfs/dbraw/zinc/72/24/23/358722423.db2.gz WZHZCOOHEKJFFC-FPMFFAJLSA-N 1 0 293.367 1.189 40 0 CDABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C)[C@@H]2C1 ZINC000096251816 358727318 /nfs/dbraw/zinc/72/73/18/358727318.db2.gz DVLZWPLMKDAPIO-HZPDHXFCSA-N 1 0 258.365 1.881 40 0 CDABRO Cn1cc(CN2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3C2)cn1 ZINC000108534286 359047372 /nfs/dbraw/zinc/04/73/72/359047372.db2.gz OATBZMYTQMFXBG-HOTGVXAUSA-N 1 0 290.411 1.105 40 0 CDABRO CSc1nc(Cl)cc(N2CCC([NH3+])CC2)n1 ZINC000072203134 359048652 /nfs/dbraw/zinc/04/86/52/359048652.db2.gz UCHXIJAEOCUYBS-UHFFFAOYSA-N 1 0 258.778 1.779 40 0 CDABRO CCCS(=O)(=O)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096047369 283424127 /nfs/dbraw/zinc/42/41/27/283424127.db2.gz DISIDPFDPUBVGO-UHFFFAOYSA-N 1 0 260.403 1.192 40 0 CDABRO CN(CC(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231303601 360440228 /nfs/dbraw/zinc/44/02/28/360440228.db2.gz UFOQDHIXGWNSTC-LBPRGKRZSA-N 1 0 279.359 1.838 40 0 CDABRO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(N)c1 ZINC000004739321 360566618 /nfs/dbraw/zinc/56/66/18/360566618.db2.gz CFTGXUMBITZDAI-UHFFFAOYSA-N 1 0 277.368 1.587 40 0 CDABRO [NH3+]C[C@H]1CCN(c2cccc(C(F)(F)F)c2)S1(=O)=O ZINC000222545657 189731559 /nfs/dbraw/zinc/73/15/59/189731559.db2.gz PRQOOQSBEVISAS-SNVBAGLBSA-N 1 0 294.298 1.573 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCO)C1 ZINC000079407957 284193420 /nfs/dbraw/zinc/19/34/20/284193420.db2.gz ZRDOOJASGDMATQ-LLVKDONJSA-N 1 0 258.362 1.310 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCCCC1 ZINC000339577701 371920078 /nfs/dbraw/zinc/92/00/78/371920078.db2.gz IDPHKBPTFHOWIN-CYBMUJFWSA-N 1 0 281.400 1.036 40 0 CDABRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccc2c(c1)CCO2 ZINC000237913801 189893567 /nfs/dbraw/zinc/89/35/67/189893567.db2.gz KLFBIQQVQAAAMN-ZDUSSCGKSA-N 1 0 276.336 1.329 40 0 CDABRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1O ZINC000130746570 373511755 /nfs/dbraw/zinc/51/17/55/373511755.db2.gz HBSVJOMQOJJVQO-NEPJUHHUSA-N 1 0 275.352 1.486 40 0 CDABRO OC[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000225400293 374286958 /nfs/dbraw/zinc/28/69/58/374286958.db2.gz ZGRRBGYRSBKYBW-VHSXEESVSA-N 1 0 289.734 1.285 40 0 CDABRO [NH3+][C@H]1COC[C@@H]1Oc1ccc(Br)cc1 ZINC000117371586 374539624 /nfs/dbraw/zinc/53/96/24/374539624.db2.gz GRTOEAAOPRPWSN-UWVGGRQHSA-N 1 0 258.115 1.554 40 0 CDABRO COC(=O)CCC(C)(C)NC(=O)C[N@H+](C)C(C)C ZINC000079310522 374789891 /nfs/dbraw/zinc/78/98/91/374789891.db2.gz AABCJZASIVFJIA-UHFFFAOYSA-N 1 0 258.362 1.175 40 0 CDABRO CC[NH+](CC)CCNCc1cnn(CC(F)F)c1C ZINC000256050492 190003186 /nfs/dbraw/zinc/00/31/86/190003186.db2.gz FFMNCZJSAZYLLI-UHFFFAOYSA-N 1 0 274.359 1.888 40 0 CDABRO Cn1nccc1-c1nccnc1C[C@@H]1CCC[NH2+]C1 ZINC000257221597 190014539 /nfs/dbraw/zinc/01/45/39/190014539.db2.gz DPUBPRWABMHWCH-NSHDSACASA-N 1 0 257.341 1.419 40 0 CDABRO CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@H]12 ZINC000257227640 190015209 /nfs/dbraw/zinc/01/52/09/190015209.db2.gz FQFSRCXYEWQYLQ-VHDGCEQUSA-N 1 0 298.394 1.547 40 0 CDABRO C[N@@H+]1CCN(Cc2cncnc2)C[C@@H]1c1ccccc1 ZINC000257225246 190015232 /nfs/dbraw/zinc/01/52/32/190015232.db2.gz FFKUEMUSGXJIJM-MRXNPFEDSA-N 1 0 268.364 1.965 40 0 CDABRO O=C(Cc1cccnc1)N1C[C@@H]2CCCC[NH2+][C@@H]2C1 ZINC000257292913 190027788 /nfs/dbraw/zinc/02/77/88/190027788.db2.gz QNLHHAWXHZGSBQ-UONOGXRCSA-N 1 0 259.353 1.225 40 0 CDABRO CC[NH+]1CCC(N2CCO[C@H](c3cnc(C)cn3)C2)CC1 ZINC000257297911 190029157 /nfs/dbraw/zinc/02/91/57/190029157.db2.gz RJHYJLGPKPEELZ-INIZCTEOSA-N 1 0 290.411 1.643 40 0 CDABRO O=C(CCCn1cncn1)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257328476 190034599 /nfs/dbraw/zinc/03/45/99/190034599.db2.gz XFTUYYVBDHMWRR-UONOGXRCSA-N 1 0 291.399 1.049 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2cc3cccc(F)c3[nH]2)C[C@H]1O ZINC000257328937 190035096 /nfs/dbraw/zinc/03/50/96/190035096.db2.gz XHRXXVIEVSIRKC-CHWSQXEVSA-N 1 0 291.326 1.054 40 0 CDABRO CN1C(=O)CO[C@H]2C[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]21 ZINC000067897249 377285939 /nfs/dbraw/zinc/28/59/39/377285939.db2.gz ABAKVXBVKOEXNX-CABCVRRESA-N 1 0 285.347 1.209 40 0 biogenic,in-vitro CDABRO Cc1cc(C[C@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)[nH]n1 ZINC000191360076 378028317 /nfs/dbraw/zinc/02/83/17/378028317.db2.gz XWIPBEPZLWXVSQ-JTQLQIEISA-N 1 0 276.388 1.785 40 0 CDABRO Cc1nn(C)c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000002761690 378053849 /nfs/dbraw/zinc/05/38/49/378053849.db2.gz IZVRCMVOADLQRE-SNVBAGLBSA-N 1 0 282.775 1.302 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000252515092 256689541 /nfs/dbraw/zinc/68/95/41/256689541.db2.gz GZGSBWKRRLBILB-GMTAPVOTSA-N 1 0 259.758 1.425 40 0 CDABRO CCS(=O)(=O)C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000096524748 256731854 /nfs/dbraw/zinc/73/18/54/256731854.db2.gz MZTCQHNWSRGLBA-SNVBAGLBSA-N 1 0 292.198 1.884 40 0 CDABRO O=C(c1ccno1)N1C[C@H]2CC[N@H+](CC3CC3)C[C@@H]2C1 ZINC000096249175 256834089 /nfs/dbraw/zinc/83/40/89/256834089.db2.gz VMGHUCVLQJLKGS-CHWSQXEVSA-N 1 0 275.352 1.479 40 0 CDABRO CC(C)N(C[C@H]1COc2ccccc2O1)C(=O)C[NH3+] ZINC000079421460 390422291 /nfs/dbraw/zinc/42/22/91/390422291.db2.gz XCHNIOGAEZKVBC-NSHDSACASA-N 1 0 264.325 1.022 40 0 CDABRO CCOC(=O)[C@@H](CN)C1([NH+]2CCCCC2)CCCC1 ZINC000072210400 390617918 /nfs/dbraw/zinc/61/79/18/390617918.db2.gz CMFGAYWEVGJSQV-CYBMUJFWSA-N 1 0 268.401 1.923 40 0 CDABRO CCOC(=O)[C@@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000072210554 390618605 /nfs/dbraw/zinc/61/86/05/390618605.db2.gz ZNVGCCZAECCMFT-GFCCVEGCSA-N 1 0 254.374 1.676 40 0 CDABRO CC(=O)N1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216216 390621214 /nfs/dbraw/zinc/62/12/14/390621214.db2.gz HLFAUOQCFOEKBA-AWEZNQCLSA-N 1 0 275.352 1.602 40 0 CDABRO CO[C@@H]1CCCC[C@@H](NC(=O)C[N@H+](C)C2CCCC2)[C@H]1O ZINC000257338711 391650132 /nfs/dbraw/zinc/65/01/32/391650132.db2.gz YYPQRPPULBDEIS-IIAWOOMASA-N 1 0 298.427 1.296 40 0 CDABRO Cc1c(Cl)c(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)nn1C ZINC000335042610 150219556 /nfs/dbraw/zinc/21/95/56/150219556.db2.gz DINNVLZDBPGFMR-JGVFFNPUSA-N 1 0 270.764 1.204 40 0 CDABRO CCCCCC[N@H+](C)CCOCCOCCOCCO ZINC000005417961 170096967 /nfs/dbraw/zinc/09/69/67/170096967.db2.gz BTHORWVWPJSATC-UHFFFAOYSA-N 1 0 291.432 1.541 40 0 CDABRO CC[NH+](CC)CCN(C(N)=S)C(=O)c1ccccc1 ZINC000005572629 170115043 /nfs/dbraw/zinc/11/50/43/170115043.db2.gz SJZZECVWDWIFJH-UHFFFAOYSA-N 1 0 279.409 1.714 40 0 CDABRO CC[NH+](CC)CC(=O)Nc1cc(N)ccc1OC ZINC000008703621 170347872 /nfs/dbraw/zinc/34/78/72/170347872.db2.gz OMSMOLDBQUBRMI-UHFFFAOYSA-N 1 0 251.330 1.558 40 0 CDABRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](C[NH3+])OC(C)(C)O1 ZINC000021985922 171345330 /nfs/dbraw/zinc/34/53/30/171345330.db2.gz RGJXYBVLMLBZQV-ZJUUUORDSA-N 1 0 259.346 1.587 40 0 in-vitro CDABRO CCOC(=O)c1sc(N2CC[NH2+]CC2)nc1C ZINC000021986861 171345512 /nfs/dbraw/zinc/34/55/12/171345512.db2.gz XSMMBQLRRVVHPE-UHFFFAOYSA-N 1 0 255.343 1.038 40 0 CDABRO c1ccc(CN2CC[NH2+]C[C@@H](Cc3cnccn3)C2)cc1 ZINC000072355045 176375076 /nfs/dbraw/zinc/37/50/76/176375076.db2.gz JKIZRIBDSJXEPT-MRXNPFEDSA-N 1 0 282.391 1.741 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@@](C)(c3cc[nH]n3)C2)cn1 ZINC000072364285 176379394 /nfs/dbraw/zinc/37/93/94/176379394.db2.gz JYTCRLPQZJNMRE-CQSZACIVSA-N 1 0 259.357 1.697 40 0 CDABRO CC(C)C[NH+]1CCC(c2cncn2CCO)CC1 ZINC000072383182 176387923 /nfs/dbraw/zinc/38/79/23/176387923.db2.gz JMEGCBLTTXCUCS-UHFFFAOYSA-N 1 0 251.374 1.711 40 0 CDABRO CCOc1ccccc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1C ZINC000072397572 176395026 /nfs/dbraw/zinc/39/50/26/176395026.db2.gz YHFBDIDDXVRNDG-CWRNSKLLSA-N 1 0 290.407 1.725 40 0 CDABRO COc1ccccc1CN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C ZINC000072397634 176395215 /nfs/dbraw/zinc/39/52/15/176395215.db2.gz MIZZOWWECZFPJS-BPLDGKMQSA-N 1 0 276.380 1.335 40 0 CDABRO CC[N@@H+]1CCOCC12CCN(C(=O)C1CCC1)CC2 ZINC000096074599 276388885 /nfs/dbraw/zinc/38/88/85/276388885.db2.gz BQHQOGYGHDTCEV-UHFFFAOYSA-N 1 0 266.385 1.500 40 0 CDABRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000079407835 277200433 /nfs/dbraw/zinc/20/04/33/277200433.db2.gz YKHCEYSZRUBHOJ-LLVKDONJSA-N 1 0 258.362 1.358 40 0 CDABRO [NH3+]C[C@H]1CCCCN1C(=O)c1cccnc1Cl ZINC000079438667 295265721 /nfs/dbraw/zinc/26/57/21/295265721.db2.gz PAXKADBTOWDGEN-SECBINFHSA-N 1 0 253.733 1.688 40 0 CDABRO Cc1cc(N)nc([C@]2(C)CCC[N@@H+]2C2CCOCC2)n1 ZINC000257203915 301330491 /nfs/dbraw/zinc/33/04/91/301330491.db2.gz ASEORVPFFWZQAR-HNNXBMFYSA-N 1 0 276.384 1.857 40 0 CDABRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH3+])S1(=O)=O ZINC000260775017 328068948 /nfs/dbraw/zinc/06/89/48/328068948.db2.gz OTJZECXNUBUQAK-SNVBAGLBSA-N 1 0 274.773 1.516 40 0 CDABRO CCCNc1ncc(C[NH2+]CCCCCO)cn1 ZINC000062717725 333176027 /nfs/dbraw/zinc/17/60/27/333176027.db2.gz PFFJNMGYJXRFKL-UHFFFAOYSA-N 1 0 252.362 1.551 40 0 CDABRO [NH2+]=C1c2ccccc2CN1NC(=O)COc1ccccc1 ZINC000027666362 1160127502 /nfs/dbraw/zinc/12/75/02/1160127502.db2.gz LOUSXZQGIBCSAA-UHFFFAOYSA-N 1 0 281.315 1.938 40 0 CDABRO Cn1nc(C(F)(F)F)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923382510 698857853 /nfs/dbraw/zinc/85/78/53/698857853.db2.gz ZMRZQHADKZTURB-LBPRGKRZSA-N 1 0 288.317 1.767 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC001548448178 967501233 /nfs/dbraw/zinc/50/12/33/967501233.db2.gz SBSGREQCZXQENQ-LERXQTSPSA-N 1 0 296.798 1.622 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001548447956 969376372 /nfs/dbraw/zinc/37/63/72/969376372.db2.gz AHFLTGLJBDZNJA-DJLDLDEBSA-N 1 0 288.800 1.608 40 0 CDABRO CC(=O)N[C@@H]1C[N@@H+](C)C2(C1)CC[NH+](C1CCCCC1)CC2 ZINC000019695873 342538525 /nfs/dbraw/zinc/53/85/25/342538525.db2.gz ORBXWUGYJAWTAH-HNNXBMFYSA-N 1 0 293.455 1.994 40 0 CDABRO O=C(c1cscn1)N1CC[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC000096054149 185075915 /nfs/dbraw/zinc/07/59/15/185075915.db2.gz VZTUBKOOKKNPRG-CHWSQXEVSA-N 1 0 291.420 1.947 40 0 CDABRO O=C(c1ccoc1)N1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096053811 185076753 /nfs/dbraw/zinc/07/67/53/185076753.db2.gz BVBUTKPZTQQPTJ-GJZGRUSLSA-N 1 0 297.358 1.879 40 0 CDABRO C[NH+](C)[C@@H]1CN(Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096056316 185077467 /nfs/dbraw/zinc/07/74/67/185077467.db2.gz WEBKCJUPQZCEJY-MCIONIFRSA-N 1 0 250.342 1.573 40 0 CDABRO O[C@@H]1CC[N@H+](Cc2ccoc2)[C@H]1Cc1cccnc1 ZINC000096061600 185083183 /nfs/dbraw/zinc/08/31/83/185083183.db2.gz MTHAFHRGVFJDJV-LSDHHAIUSA-N 1 0 258.321 1.853 40 0 CDABRO Cc1cc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)n(C)n1 ZINC000096076140 185089039 /nfs/dbraw/zinc/08/90/39/185089039.db2.gz PQECDKOXLBPWBW-MRXNPFEDSA-N 1 0 298.394 1.373 40 0 CDABRO CCCNC(=O)[C@@H]1CCC[N@@H+]1[C@H](CC(C)C)C(=O)NC ZINC000096112958 185100583 /nfs/dbraw/zinc/10/05/83/185100583.db2.gz KQTUTSTYFHOWHG-QWHCGFSZSA-N 1 0 283.416 1.138 40 0 biogenic,in-vitro CDABRO Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C[NH+](C)C)C2)c1 ZINC000585095192 342211439 /nfs/dbraw/zinc/21/14/39/342211439.db2.gz JORQDDGEDDILMR-MRXNPFEDSA-N 1 0 298.390 1.950 40 0 CDABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103508 342212769 /nfs/dbraw/zinc/21/27/69/342212769.db2.gz HJCUHOJDAUKPOW-ZDUSSCGKSA-N 1 0 298.402 1.838 40 0 CDABRO CC[NH+](CC)CCNC(=O)c1cc(N)nn1C(C)C ZINC000685936599 539098847 /nfs/dbraw/zinc/09/88/47/539098847.db2.gz JVZJRVFCIOJERS-UHFFFAOYSA-N 1 0 267.377 1.118 40 0 CDABRO Cc1ccccc1C[C@H]1CC[N@H+](CCC(N)=O)C[C@@H]1O ZINC000585279811 342257694 /nfs/dbraw/zinc/25/76/94/342257694.db2.gz ZCDJHQMCQTYAHU-CABCVRRESA-N 1 0 276.380 1.096 40 0 CDABRO CC1(C)C[N@H+](C[C@H](O)Cn2cccn2)[C@H]1[C@H]1CCCO1 ZINC000329856620 362073806 /nfs/dbraw/zinc/07/38/06/362073806.db2.gz UWQIHDXGDOXTNC-MJBXVCDLSA-N 1 0 279.384 1.133 40 0 CDABRO c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccccn2)cn1 ZINC000248078757 362148909 /nfs/dbraw/zinc/14/89/09/362148909.db2.gz HYCNUIXRCHWTES-BHYGNILZSA-N 1 0 298.390 1.958 40 0 CDABRO C[N@H+]1Cc2cccn2C[C@@H](C(=O)NCCc2ccncc2)C1 ZINC000248130482 362153007 /nfs/dbraw/zinc/15/30/07/362153007.db2.gz MZWASYCIULFPQA-HNNXBMFYSA-N 1 0 298.390 1.304 40 0 CDABRO c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000144252390 342435403 /nfs/dbraw/zinc/43/54/03/342435403.db2.gz ZVAUGYUBSPDHSG-UHFFFAOYSA-N 1 0 260.381 1.983 40 0 CDABRO CCn1nc([C@H](O)C2(C[NH3+])CCOCC2)cc1C ZINC000085395771 179049139 /nfs/dbraw/zinc/04/91/39/179049139.db2.gz HZHWGNAUHBMXMO-LBPRGKRZSA-N 1 0 253.346 1.000 40 0 CDABRO O=C(NCCC(F)(F)F)[C@@H]1[NH2+]CCc2ccccc21 ZINC000063100936 362798864 /nfs/dbraw/zinc/79/88/64/362798864.db2.gz RLSZRCYDJQQZKW-LLVKDONJSA-N 1 0 272.270 1.942 40 0 CDABRO Cn1cc(N2CC[C@H]3C[N@H+](CC4CC4)C[C@H]3C2=O)cn1 ZINC000107254554 186164679 /nfs/dbraw/zinc/16/46/79/186164679.db2.gz HVSBAXWWJADGDR-GXTWGEPZSA-N 1 0 274.368 1.115 40 0 CDABRO Cc1nn(C)cc1C[NH+]1CCC2(CCCNC2=O)CC1 ZINC000108530553 186221696 /nfs/dbraw/zinc/22/16/96/186221696.db2.gz BFEMPWOJTYJCOI-UHFFFAOYSA-N 1 0 276.384 1.221 40 0 CDABRO OC1(C[NH+]2CCC(c3cc[nH]n3)CC2)CCOCC1 ZINC000153009555 188058921 /nfs/dbraw/zinc/05/89/21/188058921.db2.gz WWHRGQVDGDWJNP-UHFFFAOYSA-N 1 0 265.357 1.131 40 0 CDABRO Cc1ncc(NC(=O)C2C[NH+](C3CCCCC3)C2)cn1 ZINC000333963489 363278964 /nfs/dbraw/zinc/27/89/64/363278964.db2.gz NYQIRLFQHYFTJF-UHFFFAOYSA-N 1 0 274.368 1.988 40 0 CDABRO C[NH+]1CCC(OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)CC1 ZINC000004197188 356021850 /nfs/dbraw/zinc/02/18/50/356021850.db2.gz AYCGEVZSNNICMM-CVEARBPZSA-N 1 0 295.379 1.746 40 0 CDABRO CCn1cc2c(n1)nc(N1CC[NH2+]CC1)cc2C(F)F ZINC000012398902 356297710 /nfs/dbraw/zinc/29/77/10/356297710.db2.gz NVXNAUYZMAUKSB-UHFFFAOYSA-N 1 0 281.310 1.798 40 0 CDABRO C[NH+]1CCN(CCOC(=O)Nc2ccccc2)CC1 ZINC000019365994 356482954 /nfs/dbraw/zinc/48/29/54/356482954.db2.gz CQQPOPITIODCGT-UHFFFAOYSA-N 1 0 263.341 1.483 40 0 CDABRO Cc1c(C[N@@H+]2CC[C@@H](C(=O)NC3CCCC3)C2)cnn1C ZINC000019747834 356498883 /nfs/dbraw/zinc/49/88/83/356498883.db2.gz CMSNPIJHMGFNMH-CYBMUJFWSA-N 1 0 290.411 1.609 40 0 CDABRO Cc1snnc1C(=O)N[C@H]1CCCC[C@@H]1C[NH+](C)C ZINC000072246217 356677236 /nfs/dbraw/zinc/67/72/36/356677236.db2.gz KWWXAXMBKQLQLX-MNOVXSKESA-N 1 0 282.413 1.697 40 0 CDABRO C[N@@H+]1C[C@@H]2CN(C(=O)C3CCCC3)CCN2C(C)(C)C1 ZINC000253399627 283206925 /nfs/dbraw/zinc/20/69/25/283206925.db2.gz JSMWQHQBSYRBSU-CQSZACIVSA-N 1 0 279.428 1.413 40 0 biogenic,in-vitro CDABRO COC(=O)c1cc(Br)ccc1N1CC[NH2+]CC1 ZINC000039951712 356979268 /nfs/dbraw/zinc/97/92/68/356979268.db2.gz JPQUBBLGXRBIFA-UHFFFAOYSA-N 1 0 299.168 1.645 40 0 CDABRO CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391243 356988499 /nfs/dbraw/zinc/98/84/99/356988499.db2.gz YKBMEICFWDODBH-WDEREUQCSA-N 1 0 285.388 1.192 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000079391366 356988503 /nfs/dbraw/zinc/98/85/03/356988503.db2.gz CWYVJAJQHXDZLC-RYUDHWBXSA-N 1 0 299.415 1.485 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@H](CSCC[NH3+])C1 ZINC000079392224 356989882 /nfs/dbraw/zinc/98/98/82/356989882.db2.gz OYNRIYYXTOECBG-JTQLQIEISA-N 1 0 260.403 1.935 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1nccnc1Cl)C1CC1 ZINC000079435788 356996580 /nfs/dbraw/zinc/99/65/80/356996580.db2.gz JJEGVDHZMKAZDT-NSHDSACASA-N 1 0 282.775 1.604 40 0 CDABRO Cc1ccc(OCC(=O)NCCC[NH+](C)C)cc1C ZINC000047652598 357162255 /nfs/dbraw/zinc/16/22/55/357162255.db2.gz JLRCDHTUMACVAP-UHFFFAOYSA-N 1 0 264.369 1.750 40 0 CDABRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000054370020 357319539 /nfs/dbraw/zinc/31/95/39/357319539.db2.gz LIJFOCYVPPYXJY-SNVBAGLBSA-N 1 0 252.745 1.703 40 0 CDABRO CCOCCCNC(=O)C[NH2+]Cc1ccccc1 ZINC000057698697 357364906 /nfs/dbraw/zinc/36/49/06/357364906.db2.gz QPECDHABPUBVKW-UHFFFAOYSA-N 1 0 250.342 1.319 40 0 CDABRO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)cn1 ZINC000096184599 358713876 /nfs/dbraw/zinc/71/38/76/358713876.db2.gz LHOXUAMSPGNSRW-DLBZAZTESA-N 1 0 297.406 1.664 40 0 CDABRO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3C2CCOCC2)s1 ZINC000096184896 358714059 /nfs/dbraw/zinc/71/40/59/358714059.db2.gz UYWZZSVPEPUZBS-NEPJUHHUSA-N 1 0 280.397 1.370 40 0 CDABRO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccoc1 ZINC000096184378 358714354 /nfs/dbraw/zinc/71/43/54/358714354.db2.gz CXHNJGLNPLPXCL-KGLIPLIRSA-N 1 0 277.368 1.016 40 0 CDABRO O=C(c1ccoc1)N1CCC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000096202697 358719418 /nfs/dbraw/zinc/71/94/18/358719418.db2.gz MEUWNXYPHHVVBH-ZDUSSCGKSA-N 1 0 290.363 1.464 40 0 CDABRO c1cnc(N2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)nc1 ZINC000096206983 358720568 /nfs/dbraw/zinc/72/05/68/358720568.db2.gz GNJRWELSRSGPHA-GDBMZVCRSA-N 1 0 288.395 1.700 40 0 CDABRO CCc1cnc(N2CCO[C@@H]3C[N@H+](C)CC[C@@H]3C2)nc1 ZINC000096249778 358726320 /nfs/dbraw/zinc/72/63/20/358726320.db2.gz ATFVEFSCQMAUCX-ZIAGYGMSSA-N 1 0 276.384 1.196 40 0 CDABRO c1nnc(N2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)s1 ZINC000096249536 358726825 /nfs/dbraw/zinc/72/68/25/358726825.db2.gz CGFRXVFNPPNUNX-NWDGAFQWSA-N 1 0 280.397 1.228 40 0 CDABRO CC(=O)N1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCOC1)C2 ZINC000096268685 358730889 /nfs/dbraw/zinc/73/08/89/358730889.db2.gz PUYPJOXZVGIAHE-LSDHHAIUSA-N 1 0 266.385 1.357 40 0 CDABRO C[NH+]1CCN(CCc2ccc3cccc(O)c3n2)CC1 ZINC000059474698 359819159 /nfs/dbraw/zinc/81/91/59/359819159.db2.gz KSTJAFTZAFEWFL-UHFFFAOYSA-N 1 0 271.364 1.730 40 0 CDABRO O=C1CC2(CN1Cc1ccc(F)cc1)CC[NH2+]CC2 ZINC000084626412 360558679 /nfs/dbraw/zinc/55/86/79/360558679.db2.gz WMAUGEIXWXAPDO-UHFFFAOYSA-N 1 0 262.328 1.928 40 0 CDABRO C[C@H]1[C@@H](c2ccccc2)[N@H+](C)CC[C@@]12NC(=O)NC2=O ZINC000001093922 291291413 /nfs/dbraw/zinc/29/14/13/291291413.db2.gz FQTIIVLASVNVSP-ITDIGPHOSA-N 1 0 273.336 1.278 40 0 CDABRO [NH2+]=C(N=C1N=C2c3ccccc3N=C2N1)N1CCCCC1 ZINC000010339324 365087132 /nfs/dbraw/zinc/08/71/32/365087132.db2.gz WSYGCBPAQUCXKR-UHFFFAOYSA-N 1 0 280.335 1.899 40 0 CDABRO CS(=O)(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107900 366983961 /nfs/dbraw/zinc/98/39/61/366983961.db2.gz UHLAUJUTUFGHET-CABCVRRESA-N 1 0 297.420 1.619 40 0 CDABRO c1nn(CC2CC2)c2c1[C@@H](COCC1CC1)C[NH2+]C2 ZINC000306140395 367315327 /nfs/dbraw/zinc/31/53/27/367315327.db2.gz USGBWJOAJQBGJI-CYBMUJFWSA-N 1 0 261.369 1.907 40 0 CDABRO Cc1scc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1C ZINC000294137792 370959439 /nfs/dbraw/zinc/95/94/39/370959439.db2.gz AFQQTCKKCKMCJF-CYBMUJFWSA-N 1 0 296.436 1.942 40 0 CDABRO COCCNC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069376546 369574766 /nfs/dbraw/zinc/57/47/66/369574766.db2.gz VUWGDEJFBMFHOA-ZDUSSCGKSA-N 1 0 283.416 1.729 40 0 CDABRO CCN1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1=O ZINC000333526546 371734387 /nfs/dbraw/zinc/73/43/87/371734387.db2.gz IDAKOMFEEHRMBA-HONMWMINSA-N 1 0 259.353 1.342 40 0 CDABRO CN(Cc1nccs1)c1ncnc(N)c1Cl ZINC000225480399 374486854 /nfs/dbraw/zinc/48/68/54/374486854.db2.gz ZPRJYOUMAIPENC-UHFFFAOYSA-N 1 0 255.734 1.805 40 0 CDABRO CC(C)NC(=O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000225648770 375178216 /nfs/dbraw/zinc/17/82/16/375178216.db2.gz JWYHMZJDJMWLNL-INIZCTEOSA-N 1 0 276.380 1.325 40 0 CDABRO Cc1cc(NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)on1 ZINC000132453898 375497358 /nfs/dbraw/zinc/49/73/58/375497358.db2.gz VSDWUIKCKVLGRK-SNVBAGLBSA-N 1 0 281.356 1.857 40 0 CDABRO CCCn1cc(C[NH2+]CCCN2CCOCC2)c(C)n1 ZINC000256055129 190005500 /nfs/dbraw/zinc/00/55/00/190005500.db2.gz ZICXHPPGUOVGEB-UHFFFAOYSA-N 1 0 280.416 1.413 40 0 CDABRO OC1(C[N@@H+]2CCC[C@H]2c2cnccn2)CCOCC1 ZINC000257228974 190015875 /nfs/dbraw/zinc/01/58/75/190015875.db2.gz FWBFTIPMFVBXEK-ZDUSSCGKSA-N 1 0 263.341 1.155 40 0 CDABRO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[NH2+]C2 ZINC000257243900 190018867 /nfs/dbraw/zinc/01/88/67/190018867.db2.gz IJAVBNNSILGHKO-SNVBAGLBSA-N 1 0 274.299 1.385 40 0 CDABRO c1cnc(Nc2cnc(CC3CC[NH2+]CC3)cn2)nc1 ZINC000257247999 190019975 /nfs/dbraw/zinc/01/99/75/190019975.db2.gz JBPQQHQHISLLIU-UHFFFAOYSA-N 1 0 270.340 1.552 40 0 CDABRO C[C@@]1(C(=O)NCCCc2ccccc2)C[NH2+]CCO1 ZINC000257271504 190024002 /nfs/dbraw/zinc/02/40/02/190024002.db2.gz MYPSNNJTWLFTMP-HNNXBMFYSA-N 1 0 262.353 1.114 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccccc2)[C@@]1(C[NH3+])COC ZINC000218025509 375778742 /nfs/dbraw/zinc/77/87/42/375778742.db2.gz CPXWCVFFZLXJNZ-HZSPNIEDSA-N 1 0 283.393 1.179 40 0 CDABRO Cn1ccc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000257284146 190026155 /nfs/dbraw/zinc/02/61/55/190026155.db2.gz PBJNRSAPVVQWPT-MRXNPFEDSA-N 1 0 270.380 1.909 40 0 CDABRO CN(C)C(=O)[C@]1(C)CCC[N@H+](Cc2nccn2C)C1 ZINC000257293124 190028392 /nfs/dbraw/zinc/02/83/92/190028392.db2.gz QOFBDSUWSYHNTG-CQSZACIVSA-N 1 0 264.373 1.110 40 0 CDABRO c1nc2ncccn2c1-c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000257293408 190028867 /nfs/dbraw/zinc/02/88/67/190028867.db2.gz QPIRSHVRFDPIPZ-JTQLQIEISA-N 1 0 266.308 1.611 40 0 CDABRO Cc1ncc(-c2cncc([C@H]3CCC[N@H+](C)C3)n2)n1C ZINC000257333736 190035589 /nfs/dbraw/zinc/03/55/89/190035589.db2.gz YCVXFMQDWLVGNP-LBPRGKRZSA-N 1 0 271.368 1.995 40 0 CDABRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)CC(F)(F)F)CN1 ZINC000330945261 376360718 /nfs/dbraw/zinc/36/07/18/376360718.db2.gz GVYVJCWIBVRNTI-GARJFASQSA-N 1 0 294.317 1.290 40 0 CDABRO CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000010384270 378649831 /nfs/dbraw/zinc/64/98/31/378649831.db2.gz CFNYZYURLSXHPV-QWHCGFSZSA-N 1 0 253.342 1.095 40 0 CDABRO C[C@@H]1CN([C@H](C[NH3+])c2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000108350270 412999570 /nfs/dbraw/zinc/99/95/70/412999570.db2.gz RDVDUFLJQMMCNS-TYNCELHUSA-N 1 0 276.380 1.731 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079409599 390421428 /nfs/dbraw/zinc/42/14/28/390421428.db2.gz BNBNISXUSQPGGJ-NWDGAFQWSA-N 1 0 299.415 1.439 40 0 CDABRO [NH3+]C[C@H](c1cncc(Br)c1)N1CCOCC1 ZINC000096511146 390531065 /nfs/dbraw/zinc/53/10/65/390531065.db2.gz MHSVBWJLRDAKEP-LLVKDONJSA-N 1 0 286.173 1.176 40 0 CDABRO Cc1cc(F)ccc1-n1ncc2c1nc[nH+]c2NN ZINC000085398049 390641052 /nfs/dbraw/zinc/64/10/52/390641052.db2.gz JEZWUOWUWMNGCH-UHFFFAOYSA-N 1 0 258.260 1.549 40 0 CDABRO CCOc1ccc(C(=O)NCC[NH+](C)C)cc1C ZINC000074949157 390662813 /nfs/dbraw/zinc/66/28/13/390662813.db2.gz GVMZIFQMXKNWAF-UHFFFAOYSA-N 1 0 250.342 1.685 40 0 CDABRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000005183943 170074659 /nfs/dbraw/zinc/07/46/59/170074659.db2.gz QVUYDOPPNSXPDH-UHFFFAOYSA-N 1 0 283.759 1.346 40 0 CDABRO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OC ZINC000022076058 171351940 /nfs/dbraw/zinc/35/19/40/171351940.db2.gz PGJFZKMAWTXCHS-GFCCVEGCSA-N 1 0 282.384 1.154 40 0 CDABRO CCc1cccc(C)c1NC(=O)CN1CCC[NH2+]CC1 ZINC000037399826 173177835 /nfs/dbraw/zinc/17/78/35/173177835.db2.gz CNPXXHZKLQROJX-UHFFFAOYSA-N 1 0 275.396 1.791 40 0 CDABRO COCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038583202 174148657 /nfs/dbraw/zinc/14/86/57/174148657.db2.gz RBCHCCHLGBKFSV-UHFFFAOYSA-N 1 0 276.380 1.661 40 0 CDABRO CC(C)(C)OC(=O)N1CC[NH+](CCC(N)=S)CC1 ZINC000040165627 174197747 /nfs/dbraw/zinc/19/77/47/174197747.db2.gz HEDQMYIRZZCWDM-UHFFFAOYSA-N 1 0 273.402 1.215 40 0 CDABRO [NH3+]C[C@H](O)c1c[nH]c2ccc(Br)cc21 ZINC000071487863 176189774 /nfs/dbraw/zinc/18/97/74/176189774.db2.gz QGGPNNYJKDXWDM-JTQLQIEISA-N 1 0 255.115 1.923 40 0 CDABRO CCCn1nccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000072265402 176352025 /nfs/dbraw/zinc/35/20/25/176352025.db2.gz XGKBDAWHRNQWEY-UHFFFAOYSA-N 1 0 278.400 1.897 40 0 CDABRO CC(=O)N1CC[NH2+]C[C@H](COCc2ccccc2)C1 ZINC000072343394 176371348 /nfs/dbraw/zinc/37/13/48/176371348.db2.gz BCPRJFOSKFRXHM-HNNXBMFYSA-N 1 0 262.353 1.271 40 0 CDABRO C[NH+](C)CC(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000072351223 176374399 /nfs/dbraw/zinc/37/43/99/176374399.db2.gz OABOLFJPEVSNPW-ZDUSSCGKSA-N 1 0 286.379 1.831 40 0 CDABRO NC(=O)c1ccccc1Oc1cnc([C@@H]2CCC[NH2+]2)cn1 ZINC000072364675 176379434 /nfs/dbraw/zinc/37/94/34/176379434.db2.gz YXMDBVWPYVXLMS-NSHDSACASA-N 1 0 284.319 1.792 40 0 CDABRO C[C@]1(C(N)=O)C[N@H+](Cc2cccc3ccccc32)CCO1 ZINC000072379454 176386784 /nfs/dbraw/zinc/38/67/84/176386784.db2.gz FACAUZJEWBWVCC-QGZVFWFLSA-N 1 0 284.359 1.916 40 0 CDABRO Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072382159 176388271 /nfs/dbraw/zinc/38/82/71/176388271.db2.gz OCIJKUUMKIJNJV-JTQLQIEISA-N 1 0 256.313 1.743 40 0 CDABRO Cc1ccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)o1 ZINC000072397629 176395232 /nfs/dbraw/zinc/39/52/32/176395232.db2.gz LCVHXNSVPJGZNT-RAIGVLPGSA-N 1 0 250.342 1.227 40 0 CDABRO CNc1ncc(C[NH2+]CCNc2nc(C)cc(C)n2)cn1 ZINC000062717900 262301805 /nfs/dbraw/zinc/30/18/05/262301805.db2.gz UQAYPDYAEXXYBN-UHFFFAOYSA-N 1 0 287.371 1.127 40 0 CDABRO CCn1nnc2cc(C(=O)NCCC[NH+](C)C)ccc21 ZINC000047652683 423960229 /nfs/dbraw/zinc/96/02/29/423960229.db2.gz GIYWIPFJFXYSNB-UHFFFAOYSA-N 1 0 275.356 1.133 40 0 CDABRO [NH3+][C@@H]1CCc2c(ccc(=O)n2Cc2cccnc2)C1 ZINC000306136035 274959770 /nfs/dbraw/zinc/95/97/70/274959770.db2.gz PHCSRLNKBFIGHQ-CYBMUJFWSA-N 1 0 255.321 1.108 40 0 CDABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccoc2)N1c1cncnc1 ZINC000107251820 275019942 /nfs/dbraw/zinc/01/99/42/275019942.db2.gz GKUJDYHWUXQGSA-UONOGXRCSA-N 1 0 284.319 1.449 40 0 CDABRO CCOC[C@@H]1C[N@H+](CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059850 276331332 /nfs/dbraw/zinc/33/13/32/276331332.db2.gz QGGFIDAZRLJOGX-HNNXBMFYSA-N 1 0 293.411 1.782 40 0 CDABRO COCC(=O)N1CCC[C@@]2(C[C@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000096075666 277195540 /nfs/dbraw/zinc/19/55/40/277195540.db2.gz HMKYSGSLGKCSAA-CZUORRHYSA-N 1 0 296.411 1.125 40 0 CDABRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000040468059 277248663 /nfs/dbraw/zinc/24/86/63/277248663.db2.gz KIEBJMGMGMYFHN-SDDRHHMPSA-N 1 0 254.374 1.530 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCN(CC[NH3+])C1 ZINC000079408496 279299469 /nfs/dbraw/zinc/29/94/69/279299469.db2.gz XQKQAQVNQQKWJT-LBPRGKRZSA-N 1 0 271.405 1.665 40 0 CDABRO C[C@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000075837444 280021633 /nfs/dbraw/zinc/02/16/33/280021633.db2.gz VMDZXINKFCTKOC-JJXSEGSLSA-N 1 0 282.428 1.333 40 0 CDABRO O=C1C[C@@H](c2ccccc2)[NH2+]CCCCN(O)CCCN1 ZINC000005554718 280270065 /nfs/dbraw/zinc/27/00/65/280270065.db2.gz QGMXLNCOBCGXMO-HNNXBMFYSA-N 1 0 291.395 1.699 40 0 CDABRO COCC[NH+]1CCC(Nc2cncc(OC(C)C)n2)CC1 ZINC000548117611 289845557 /nfs/dbraw/zinc/84/55/57/289845557.db2.gz YUKJCWJRBNILSF-UHFFFAOYSA-N 1 0 294.399 1.787 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391238 298944051 /nfs/dbraw/zinc/94/40/51/298944051.db2.gz OQXDVNIZXIIZRP-UNXYVOJBSA-N 1 0 299.415 1.628 40 0 CDABRO CNC(=O)[C@H]1C[N@@H+](C(C)C)CCN1CCc1ccccc1 ZINC000248000174 334293334 /nfs/dbraw/zinc/29/33/34/334293334.db2.gz NRWONRPQMIBPKN-MRXNPFEDSA-N 1 0 289.423 1.370 40 0 CDABRO CCCC[N@H+](C)C[C@@H]1[C@H](CC)CN(C(C)=O)[C@@H]1CO ZINC001772594733 1159300950 /nfs/dbraw/zinc/30/09/50/1159300950.db2.gz PAYFXFSJNWQCCC-RBSFLKMASA-N 1 0 270.417 1.584 40 0 CDABRO CC(C)CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019446558 517410019 /nfs/dbraw/zinc/41/00/19/517410019.db2.gz BVBMJGHXVQXAEE-AWEZNQCLSA-N 1 0 288.395 1.832 40 0 CDABRO c1nn(C2CC[NH2+]CC2)c2ncnc(N3CC=CCC3)c12 ZINC000228934773 570372981 /nfs/dbraw/zinc/37/29/81/570372981.db2.gz ZLDYXLUCXLUBHF-UHFFFAOYSA-N 1 0 284.367 1.517 40 0 CDABRO CC(C)(C)OC(=O)NC12CCC(C[NH3+])(CC1)OC2 ZINC000222558812 1177921804 /nfs/dbraw/zinc/92/18/04/1177921804.db2.gz PINMHTYEDVCKFB-UHFFFAOYSA-N 1 0 256.346 1.552 40 0 CDABRO CCOC(=O)[C@@H]1CCC([NH2+]OCc2ccccc2)CN1 ZINC001560406219 960943987 /nfs/dbraw/zinc/94/39/87/960943987.db2.gz RQJAEVBLOUZEHH-AWEZNQCLSA-N 1 0 277.344 1.555 40 0 CDABRO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@@H](C[NH+]3CCCCC3)[C@H]2C1 ZINC000575405200 342451840 /nfs/dbraw/zinc/45/18/40/342451840.db2.gz GUFYFOHXHKOALJ-ZVDSWSACSA-N 1 0 292.423 1.602 40 0 CDABRO Cc1c(C)n(C)c2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc12 ZINC000585164855 342494622 /nfs/dbraw/zinc/49/46/22/342494622.db2.gz WESVUEBLIQXDJX-OAHLLOKOSA-N 1 0 287.363 1.722 40 0 CDABRO CCN1CC(=O)NC[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096050495 185073972 /nfs/dbraw/zinc/07/39/72/185073972.db2.gz GPNUFMCRUJBHIQ-CQSZACIVSA-N 1 0 279.409 1.144 40 0 CDABRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096055560 185076062 /nfs/dbraw/zinc/07/60/62/185076062.db2.gz WSVYVEROGHUVEE-UPJWGTAASA-N 1 0 280.393 1.568 40 0 CDABRO Cc1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)o1 ZINC000096053990 185076658 /nfs/dbraw/zinc/07/66/58/185076658.db2.gz UXVKNOXADYTQTN-ZIAGYGMSSA-N 1 0 284.363 1.946 40 0 CDABRO Cn1cc2c(n1)[C@@H](C[NH2+]Cc1ccc(F)cc1)OCC2 ZINC000096059685 185080327 /nfs/dbraw/zinc/08/03/27/185080327.db2.gz HRISJGUHCDCJDH-CQSZACIVSA-N 1 0 275.327 1.963 40 0 CDABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2Cc2ccco2)cn1 ZINC000096061710 185082728 /nfs/dbraw/zinc/08/27/28/185082728.db2.gz SHQUTLDNAWSPOZ-CVEARBPZSA-N 1 0 288.395 1.760 40 0 CDABRO C[N@@H+]1C[C@@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 ZINC000096065649 185084001 /nfs/dbraw/zinc/08/40/01/185084001.db2.gz PGJKENAKBWNLBO-IACUBPJLSA-N 1 0 294.420 1.516 40 0 CDABRO C[C@@H](O)C[NH+]1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC000096073045 185088508 /nfs/dbraw/zinc/08/85/08/185088508.db2.gz QYGUNUJKEQARNY-CHWSQXEVSA-N 1 0 279.384 1.139 40 0 CDABRO CS(=O)(=O)N1CCOC2(CC[NH2+]CC2)c2ccccc21 ZINC000096090566 185095118 /nfs/dbraw/zinc/09/51/18/185095118.db2.gz MKYMAMKMKPSODJ-UHFFFAOYSA-N 1 0 296.392 1.062 40 0 CDABRO Cc1nc(Cn2c(=O)ccc3c2CC[C@@H]([NH3+])C3)cs1 ZINC000096086851 185094160 /nfs/dbraw/zinc/09/41/60/185094160.db2.gz YJYSIJDOQXUVJM-LLVKDONJSA-N 1 0 275.377 1.478 40 0 CDABRO Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)c(C)o1 ZINC000096108250 185099506 /nfs/dbraw/zinc/09/95/06/185099506.db2.gz FCPBJPLXSKNIRY-CJNGLKHVSA-N 1 0 292.379 1.547 40 0 CDABRO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2cccnc2)C3)n1 ZINC000096110038 185099624 /nfs/dbraw/zinc/09/96/24/185099624.db2.gz ZAUKBEUNULGQRA-UKRRQHHQSA-N 1 0 286.335 1.173 40 0 CDABRO Cc1ncsc1CN1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000096108262 185100378 /nfs/dbraw/zinc/10/03/78/185100378.db2.gz SZLFREYPBZMZHV-OCCSQVGLSA-N 1 0 281.425 1.462 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@@H](O)C2(CC[NH2+]CC2)C1 ZINC000096945302 185135089 /nfs/dbraw/zinc/13/50/89/185135089.db2.gz JOQVDIUWFOPTOC-LLVKDONJSA-N 1 0 270.373 1.358 40 0 CDABRO CO[C@]1(COc2ccc(F)cc2)CCCN(C(=O)C[NH3+])C1 ZINC000585275048 342256012 /nfs/dbraw/zinc/25/60/12/342256012.db2.gz UXDSNBVZHWEQNK-OAHLLOKOSA-N 1 0 296.342 1.171 40 0 CDABRO CNC(=O)C[C@@]1(CO)CCC[N@@H+]1Cc1cc(C(C)C)no1 ZINC000585278394 342257016 /nfs/dbraw/zinc/25/70/16/342257016.db2.gz SLILKHQMVWIRSL-OAHLLOKOSA-N 1 0 295.383 1.261 40 0 CDABRO c1cncc(OC[C@H]2CCOC23C[NH+](CC2CC2)C3)c1 ZINC000253592354 362441028 /nfs/dbraw/zinc/44/10/28/362441028.db2.gz VEYRELVZPUQKDR-CQSZACIVSA-N 1 0 274.364 1.961 40 0 CDABRO Cn1cnc2c1[C@H](C(=O)NCc1cccs1)C[N@H+](C)C2 ZINC000253612981 362442183 /nfs/dbraw/zinc/44/21/83/362442183.db2.gz IHANDCBTRBCAOM-LLVKDONJSA-N 1 0 290.392 1.327 40 0 CDABRO CNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cnn(C)c1)C2 ZINC000108535046 186222151 /nfs/dbraw/zinc/22/21/51/186222151.db2.gz WWXJGNFSFMFEPB-HIFRSBDPSA-N 1 0 276.384 1.158 40 0 CDABRO CNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1cncn1C)C2 ZINC000108535804 186222311 /nfs/dbraw/zinc/22/23/11/186222311.db2.gz RBLNWRQCEDSKPF-ZFWWWQNUSA-N 1 0 276.384 1.158 40 0 CDABRO CC[C@@]1(C(=O)N2CCC[C@@H](COC)C2)CCC[NH2+]1 ZINC000134492828 187754264 /nfs/dbraw/zinc/75/42/64/187754264.db2.gz QHHGDGJVCHQNRW-OCCSQVGLSA-N 1 0 254.374 1.404 40 0 CDABRO CC(C)[NH2+]C[C@@H](O)CN[C@@H](C)[C@@H]1COc2ccccc2O1 ZINC000004610569 363245684 /nfs/dbraw/zinc/24/56/84/363245684.db2.gz AANQMDAPDINSQM-ZENOOKHLSA-N 1 0 294.395 1.163 40 0 CDABRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CN1CCC(C)CC1 ZINC000195530866 363456037 /nfs/dbraw/zinc/45/60/37/363456037.db2.gz VOJUROBBYILNPW-YESZJQIVSA-N 1 0 298.471 1.705 40 0 CDABRO COc1cc2cccnc2c(NCCCNC(N)=[NH2+])c1 ZINC000001653183 355944942 /nfs/dbraw/zinc/94/49/42/355944942.db2.gz SVVMFNHKJVFGKT-UHFFFAOYSA-N 1 0 273.340 1.528 40 0 CDABRO COC[C@@H](O)C[N@@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000004823231 356044289 /nfs/dbraw/zinc/04/42/89/356044289.db2.gz XWZVOCAEMFSLBH-HIFRSBDPSA-N 1 0 264.369 1.204 40 0 CDABRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)nnn2C ZINC000013212481 356341133 /nfs/dbraw/zinc/34/11/33/356341133.db2.gz FGYAVGPUDXFOHL-UHFFFAOYSA-N 1 0 269.312 1.152 40 0 CDABRO COc1ccc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)cc1 ZINC000019286436 356479890 /nfs/dbraw/zinc/47/98/90/356479890.db2.gz IQGVFYCICUWGLB-UHFFFAOYSA-N 1 0 299.374 1.688 40 0 CDABRO O=S(=O)(NCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000019402815 356483915 /nfs/dbraw/zinc/48/39/15/356483915.db2.gz LWWZEOMXJMRDMK-UHFFFAOYSA-N 1 0 272.345 1.104 40 0 CDABRO COC(=O)c1ccc([C@H]([NH3+])CNC(=O)OC(C)(C)C)cc1 ZINC000019796197 356504743 /nfs/dbraw/zinc/50/47/43/356504743.db2.gz WSCKSSOLXHEIAS-GFCCVEGCSA-N 1 0 294.351 1.998 40 0 CDABRO COC(=O)c1ccccc1[C@@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000019796154 356504854 /nfs/dbraw/zinc/50/48/54/356504854.db2.gz YYWZIYAHKREOHX-LBPRGKRZSA-N 1 0 294.351 1.998 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079409542 356992784 /nfs/dbraw/zinc/99/27/84/356992784.db2.gz VERLQVKBUXONRE-WDEREUQCSA-N 1 0 285.388 1.049 40 0 CDABRO CN(C(=O)OCc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000079411442 356993730 /nfs/dbraw/zinc/99/37/30/356993730.db2.gz KYJYOIBTWSXWLZ-AWEZNQCLSA-N 1 0 277.368 1.288 40 0 CDABRO [NH3+]CCN1CCCN(C(=O)OCc2ccccc2)CC1 ZINC000079419892 356996301 /nfs/dbraw/zinc/99/63/01/356996301.db2.gz BRWYWNWCSSUWGK-UHFFFAOYSA-N 1 0 277.368 1.290 40 0 CDABRO C[NH+](C)CCSN1C(=O)c2ccccc2C1=O ZINC000228971425 358105861 /nfs/dbraw/zinc/10/58/61/358105861.db2.gz FXKVLDYVWPFOOY-UHFFFAOYSA-N 1 0 250.323 1.492 40 0 CDABRO [NH3+]C[C@@H](O)COCc1ccc(Cl)cc1Cl ZINC000095096237 366432264 /nfs/dbraw/zinc/43/22/64/366432264.db2.gz IZVTZAPIEBVXMG-SECBINFHSA-N 1 0 250.125 1.830 40 0 CDABRO CC(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000100177642 358642393 /nfs/dbraw/zinc/64/23/93/358642393.db2.gz GUXKDOBCLBMDOV-GUTXKFCHSA-N 1 0 295.427 1.408 40 0 CDABRO CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096186954 358715188 /nfs/dbraw/zinc/71/51/88/358715188.db2.gz TXGBUXVFABUKEA-UPJWGTAASA-N 1 0 280.393 1.616 40 0 CDABRO CO[C@H]1CC[N@H+](Cc2cnn(C)c2)[C@H]1Cc1cccnc1 ZINC000096200476 358718003 /nfs/dbraw/zinc/71/80/03/358718003.db2.gz LTANSOPCPJFPBJ-HOTGVXAUSA-N 1 0 286.379 1.647 40 0 CDABRO c1cnc(N2CC3(C2)CC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096202554 358718845 /nfs/dbraw/zinc/71/88/45/358718845.db2.gz SQLRQRBETVBFKX-UHFFFAOYSA-N 1 0 281.363 1.584 40 0 CDABRO C[NH+]1CCC2(CCOC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000096215963 358721370 /nfs/dbraw/zinc/72/13/70/358721370.db2.gz TXXVCQLWKNXYFA-OAHLLOKOSA-N 1 0 288.391 1.917 40 0 CDABRO O=C(c1cccs1)N1C[C@@H]2[C@H](C1)OCCN2CC1CC1 ZINC000096246461 358725827 /nfs/dbraw/zinc/72/58/27/358725827.db2.gz ILOULBHGPGGYSL-OLZOCXBDSA-N 1 0 292.404 1.683 40 0 CDABRO C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccn1)CC2 ZINC000096268534 358730739 /nfs/dbraw/zinc/73/07/39/358730739.db2.gz UXVBNWBFDPOUSE-UHFFFAOYSA-N 1 0 259.353 1.640 40 0 CDABRO OC1(Cn2cccc3cc(C4CC4)nc2-3)CC[NH2+]CC1 ZINC000100228474 358823116 /nfs/dbraw/zinc/82/31/16/358823116.db2.gz JWTHIOKOHONJJN-UHFFFAOYSA-N 1 0 271.364 1.980 40 0 CDABRO CCOC(=O)[C@H]1C(C)=C(CN2CCCCC2)[NH2+][C@@H]1C ZINC000101456179 358846391 /nfs/dbraw/zinc/84/63/91/358846391.db2.gz SXJBYKLPPOTSGS-OCCSQVGLSA-N 1 0 266.385 1.917 40 0 CDABRO CC(=O)N1CCO[C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC000108526924 359047347 /nfs/dbraw/zinc/04/73/47/359047347.db2.gz KCPIWTIIQULIOR-PMPSAXMXSA-N 1 0 278.396 1.664 40 0 CDABRO COCC[NH2+]CCNC(=O)c1ccc(Cl)c(C)c1 ZINC000135630904 359787732 /nfs/dbraw/zinc/78/77/32/359787732.db2.gz NOWYVCNJEWHDHS-UHFFFAOYSA-N 1 0 270.760 1.614 40 0 CDABRO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000514288852 360123509 /nfs/dbraw/zinc/12/35/09/360123509.db2.gz CLGRZLMQQFBITN-HIFRSBDPSA-N 1 0 272.348 1.614 40 0 biogenic,in-vitro CDABRO [NH3+]CCn1cc(-c2nc(C3CCCCC3)no2)nn1 ZINC000089696202 366912996 /nfs/dbraw/zinc/91/29/96/366912996.db2.gz QETQFTPBRRXHGR-UHFFFAOYSA-N 1 0 262.317 1.335 40 0 CDABRO c1cncc(COC[C@]23CCCO[C@@H]2CC[NH2+]C3)c1 ZINC000306128200 367315441 /nfs/dbraw/zinc/31/54/41/367315441.db2.gz GUACBXGGQZSQLF-HUUCEWRRSA-N 1 0 262.353 1.757 40 0 CDABRO COCC(=O)Nc1ccc(CC[NH+]2CCC(O)CC2)cc1 ZINC000075415240 373058479 /nfs/dbraw/zinc/05/84/79/373058479.db2.gz HTXLEBGCQUPNLT-UHFFFAOYSA-N 1 0 292.379 1.271 40 0 CDABRO COC[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000079091110 374769013 /nfs/dbraw/zinc/76/90/13/374769013.db2.gz DFOPSTJBNIXSRJ-OCCSQVGLSA-N 1 0 262.353 1.571 40 0 CDABRO Cc1ncc(-c2cc(C)nc([C@@H]3CCC[NH2+]3)n2)n1C ZINC000257201090 190010636 /nfs/dbraw/zinc/01/06/36/190010636.db2.gz AGFWGGFGOJVQHH-NSHDSACASA-N 1 0 257.341 1.918 40 0 CDABRO C[C@]12CCCN(C(=O)c3cncs3)[C@@H]1CCC[NH2+]2 ZINC000257208095 190012706 /nfs/dbraw/zinc/01/27/06/190012706.db2.gz BKSYYFQNOHSWGD-YPMHNXCESA-N 1 0 265.382 1.890 40 0 CDABRO CNC(=O)C1(CCCc2ccccn2)CC[NH+](C)CC1 ZINC000257244775 190019202 /nfs/dbraw/zinc/01/92/02/190019202.db2.gz IMRWEGBREMTSJX-UHFFFAOYSA-N 1 0 275.396 1.862 40 0 CDABRO O=C(C[N@@H+]1CCC[C@H](Cc2cc[nH]n2)C1)N1CCCC1 ZINC000257282561 190026098 /nfs/dbraw/zinc/02/60/98/190026098.db2.gz OUGQBGFHPUMKDS-CYBMUJFWSA-N 1 0 276.384 1.287 40 0 CDABRO Cc1ncc(-c2cncc(C[C@H]3CC[NH2+]C3)n2)n1C ZINC000257298149 190029859 /nfs/dbraw/zinc/02/98/59/190029859.db2.gz RKKIRASXZIGUCQ-LLVKDONJSA-N 1 0 257.341 1.338 40 0 CDABRO Cc1c[nH]c([C@@H]2CCCN2C(=O)C2([NH3+])CCCC2)n1 ZINC000257301044 190030300 /nfs/dbraw/zinc/03/03/00/190030300.db2.gz RWSWJBJWSVIDKK-NSHDSACASA-N 1 0 262.357 1.653 40 0 CDABRO C[N@@H+]1CCCN(C(=O)c2cccc(-c3cncnc3)n2)CC1 ZINC000257336664 190036160 /nfs/dbraw/zinc/03/61/60/190036160.db2.gz YPLAJMLMYXHIIH-UHFFFAOYSA-N 1 0 297.362 1.316 40 0 CDABRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@H]1CCC(F)(F)C1 ZINC000331307050 376911349 /nfs/dbraw/zinc/91/13/49/376911349.db2.gz GGYBGZJRKJKPAE-NWDGAFQWSA-N 1 0 290.354 1.385 40 0 CDABRO CC(C)c1nc2c(c(=O)[nH]1)CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000019453739 390228118 /nfs/dbraw/zinc/22/81/18/390228118.db2.gz WNWMXYAQXOHEMV-GFCCVEGCSA-N 1 0 291.395 1.330 40 0 CDABRO CC[C@@H]([NH3+])c1cnc(N2CCN(C(C)=O)CC2)c(C)c1 ZINC000072222698 390624124 /nfs/dbraw/zinc/62/41/24/390624124.db2.gz IREFLHPFBGRFSJ-CQSZACIVSA-N 1 0 276.384 1.468 40 0 CDABRO O=C(C[C@H](c1ccccc1)[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000072208325 390616575 /nfs/dbraw/zinc/61/65/75/390616575.db2.gz GTLQTNJYWYMNSI-HZPDHXFCSA-N 1 0 288.391 1.771 40 0 CDABRO CC(C)NC(=O)[C@H]1C[C@@H]2CC[N@@H+](C3CCCC3)C[C@@H]2O1 ZINC000096043144 390912090 /nfs/dbraw/zinc/91/20/90/390912090.db2.gz HZUXKIAWRONXBQ-CFVMTHIKSA-N 1 0 280.412 1.933 40 0 CDABRO CNc1ncc(C[NH2+]C[C@@H](O)c2ccccc2)cn1 ZINC000062717462 392803605 /nfs/dbraw/zinc/80/36/05/392803605.db2.gz ZACUPBUBEZZNGT-CYBMUJFWSA-N 1 0 258.325 1.342 40 0 CDABRO CCN1CCC[C@@H]1C[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062718453 392804356 /nfs/dbraw/zinc/80/43/56/392804356.db2.gz INQRFDUMKGAKBQ-CQSZACIVSA-N 1 0 277.416 1.871 40 0 CDABRO COc1ccc2c(c1)C[N@@H+](C)CC[C@H]1COC(=O)N21 ZINC000225490611 393067935 /nfs/dbraw/zinc/06/79/35/393067935.db2.gz LPVJDFRCSNUYPU-NSHDSACASA-N 1 0 262.309 1.856 40 0 biogenic,in-vitro CDABRO Cc1ncsc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000682556428 483285795 /nfs/dbraw/zinc/28/57/95/483285795.db2.gz JBNZVESHSFILGY-HOSYDEDBSA-N 1 0 265.382 1.537 40 0 CDABRO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096071638 398069558 /nfs/dbraw/zinc/06/95/58/398069558.db2.gz PLPXQEPXLASPOJ-CQSZACIVSA-N 1 0 295.456 1.392 40 0 CDABRO CC(C)NC(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000004968982 170047027 /nfs/dbraw/zinc/04/70/27/170047027.db2.gz YBWGGTJRVDLOBF-UHFFFAOYSA-N 1 0 267.417 1.461 40 0 CDABRO C[NH+](C)CCCNC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000008091119 170318557 /nfs/dbraw/zinc/31/85/57/170318557.db2.gz AWECTFGWQDMJPA-UHFFFAOYSA-N 1 0 297.786 1.024 40 0 CDABRO O=c1ccc(-c2ccc3c(c2)OCO3)nn1C[C@@H]1CCC[NH2+]1 ZINC000012158330 170471663 /nfs/dbraw/zinc/47/16/63/170471663.db2.gz RFZOURZLEQPIKD-LBPRGKRZSA-N 1 0 299.330 1.391 40 0 CDABRO CC(C)CC(=O)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000019446580 170803521 /nfs/dbraw/zinc/80/35/21/170803521.db2.gz QHJYTJSRIQXNRS-LBPRGKRZSA-N 1 0 288.395 1.484 40 0 CDABRO C[C@H]1Cc2ccccc2N1C(=O)C[NH2+]CCN(C)C ZINC000019498268 170814735 /nfs/dbraw/zinc/81/47/35/170814735.db2.gz ZTWZQALVMCFPGM-LBPRGKRZSA-N 1 0 261.369 1.115 40 0 CDABRO CC[NH+]1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000022585907 171392904 /nfs/dbraw/zinc/39/29/04/171392904.db2.gz NMJWELDJNLGLOA-AWEZNQCLSA-N 1 0 267.417 1.271 40 0 CDABRO Cc1ccc(C[NH2+][C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000035223111 172067203 /nfs/dbraw/zinc/06/72/03/172067203.db2.gz KEZBPYQRTSLLLG-CYBMUJFWSA-N 1 0 253.367 1.662 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)Cc1ccc(Br)cc1 ZINC000037498099 173237252 /nfs/dbraw/zinc/23/72/52/173237252.db2.gz WOCSARVMILYXHF-QMMMGPOBSA-N 1 0 271.158 1.755 40 0 CDABRO COCCNC(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038489581 174142645 /nfs/dbraw/zinc/14/26/45/174142645.db2.gz OTJOCUVVEVJUDB-UHFFFAOYSA-N 1 0 295.383 1.437 40 0 CDABRO COCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000044913536 175276360 /nfs/dbraw/zinc/27/63/60/175276360.db2.gz LDVSIHFKZKYWIM-UHFFFAOYSA-N 1 0 262.353 1.545 40 0 CDABRO COCCN1CC=CC[C@H](C2CC[NH2+]CC2)C1=O ZINC000072353533 176374328 /nfs/dbraw/zinc/37/43/28/176374328.db2.gz LHBXNRUPMPVKKZ-CYBMUJFWSA-N 1 0 252.358 1.037 40 0 CDABRO Cc1ccnc(NC(=O)c2cnc([C@H]3CCC[NH2+]C3)cn2)c1 ZINC000072365651 176381275 /nfs/dbraw/zinc/38/12/75/176381275.db2.gz DOUFTYXNCHURAE-LBPRGKRZSA-N 1 0 297.362 1.899 40 0 CDABRO Cc1cc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)ccn1 ZINC000072366671 176381662 /nfs/dbraw/zinc/38/16/62/176381662.db2.gz HIOBCRUCSZCBAQ-AWEZNQCLSA-N 1 0 261.369 1.658 40 0 CDABRO C[NH+](C)CC[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000072368309 176383096 /nfs/dbraw/zinc/38/30/96/176383096.db2.gz NWPHICRUIPYADS-LBPRGKRZSA-N 1 0 262.357 1.281 40 0 CDABRO O=c1oc(-c2cccnc2)nn1CC[NH+]1CCCCC1 ZINC000072373551 176384831 /nfs/dbraw/zinc/38/48/31/176384831.db2.gz VKMJDCDGRKMNCU-UHFFFAOYSA-N 1 0 274.324 1.384 40 0 CDABRO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCS(C)(=O)=O)C2)cc1 ZINC000076393070 177014199 /nfs/dbraw/zinc/01/41/99/177014199.db2.gz WPLZMBYXNBJWHB-GXTWGEPZSA-N 1 0 297.420 1.918 40 0 CDABRO C[NH+]1CCC(NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000078472934 177344373 /nfs/dbraw/zinc/34/43/73/177344373.db2.gz ZXSNLQUHXOZLKV-HWKANZROSA-N 1 0 288.347 1.639 40 0 CDABRO c1cc(COC[C@@H]2CCC[C@]23C[NH2+]CCO3)ccn1 ZINC000096160953 265332851 /nfs/dbraw/zinc/33/28/51/265332851.db2.gz YEPHJZWQXAVDIR-GJZGRUSLSA-N 1 0 262.353 1.757 40 0 CDABRO CNC(=O)N[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC000096241796 265345658 /nfs/dbraw/zinc/34/56/58/265345658.db2.gz AGJBLCRSFRUIJG-AWEZNQCLSA-N 1 0 273.380 1.990 40 0 CDABRO CC1(c2cc[nH]n2)CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000257319736 276173386 /nfs/dbraw/zinc/17/33/86/276173386.db2.gz VTWSXDNYOHXNIF-LLVKDONJSA-N 1 0 262.357 1.042 40 0 CDABRO CN1CC[NH+]([C@@H]2c3ccccc3OC(C)(C)[C@@H]2O)CC1 ZINC000019366516 277111426 /nfs/dbraw/zinc/11/14/26/277111426.db2.gz BKTHJGILZXJQLV-HUUCEWRRSA-N 1 0 276.380 1.507 40 0 CDABRO Cn1nccc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257293192 303064804 /nfs/dbraw/zinc/06/48/04/303064804.db2.gz QOMNPORDISITQB-CQSZACIVSA-N 1 0 270.336 1.207 40 0 CDABRO CCC[NH2+]C1(CCO)CN(C(=O)OC(C)(C)C)C1 ZINC000398143558 1160097128 /nfs/dbraw/zinc/09/71/28/1160097128.db2.gz WUKZZFMKPSUIBA-UHFFFAOYSA-N 1 0 258.362 1.358 40 0 CDABRO O=C1CC[C@]2(CCC[N@H+](Cc3cccnc3)CC2)N1 ZINC000096047459 185072584 /nfs/dbraw/zinc/07/25/84/185072584.db2.gz UQWFFBMPUQGSAT-HNNXBMFYSA-N 1 0 259.353 1.716 40 0 CDABRO C[C@@H](NC(=O)CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000169293819 361800719 /nfs/dbraw/zinc/80/07/19/361800719.db2.gz YSPFGNHRGXHSCG-MELADBBJSA-N 1 0 276.380 1.973 40 0 CDABRO CNC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccs2)C1 ZINC000096057644 185078073 /nfs/dbraw/zinc/07/80/73/185078073.db2.gz WRETXRZIVJGHIW-CYZMBNFOSA-N 1 0 280.393 1.474 40 0 CDABRO O[C@H]1CC[N@H+](Cc2ccoc2)[C@H]1Cc1ccncc1 ZINC000096061646 185083116 /nfs/dbraw/zinc/08/31/16/185083116.db2.gz YTZIYSPMEMXINB-GJZGRUSLSA-N 1 0 258.321 1.853 40 0 CDABRO C[N@@H+]1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000096107409 185100316 /nfs/dbraw/zinc/10/03/16/185100316.db2.gz FNZNYYRHADTYCN-RISCZKNCSA-N 1 0 266.316 1.853 40 0 CDABRO CCCC(=O)N1Cc2ccnn2[C@H](C[NH+](C)C)C1 ZINC000585095127 342211465 /nfs/dbraw/zinc/21/14/65/342211465.db2.gz ATIGFNRIJWAEJP-GFCCVEGCSA-N 1 0 250.346 1.128 40 0 CDABRO CN(C)C(=O)COCC[C@H]1Cn2cccc2C[N@H+](C)C1 ZINC000585095311 342211423 /nfs/dbraw/zinc/21/14/23/342211423.db2.gz OVDCUEFRTLAGMW-CYBMUJFWSA-N 1 0 279.384 1.045 40 0 CDABRO COCc1nnc2n1CC[N@H+](C1CCCC1)[C@@H](C)C2 ZINC000585097357 342211605 /nfs/dbraw/zinc/21/16/05/342211605.db2.gz JGUWCCBTRMVTMR-NSHDSACASA-N 1 0 264.373 1.614 40 0 CDABRO Cc1cccc(CO[C@@H]2CSC3(C[NH2+]C3)C2)n1 ZINC000585105240 342212822 /nfs/dbraw/zinc/21/28/22/342212822.db2.gz RHUDNTKHSMVZAF-LBPRGKRZSA-N 1 0 250.367 1.754 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000685936392 539098861 /nfs/dbraw/zinc/09/88/61/539098861.db2.gz VISKNHQIOAJQFV-ZWNOBZJWSA-N 1 0 258.362 1.308 40 0 CDABRO CCOC(=O)N1CC[C@](C)(O)[C@H]([NH+](CC)CC)C1 ZINC000685936100 539099059 /nfs/dbraw/zinc/09/90/59/539099059.db2.gz DXRLAUPLSMQUDG-YPMHNXCESA-N 1 0 258.362 1.310 40 0 CDABRO CO[C@@]1(COc2ccccc2C)CC[N@H+](CCC(N)=O)C1 ZINC000585273358 342255860 /nfs/dbraw/zinc/25/58/60/342255860.db2.gz CTNPMVVWKKCEPG-INIZCTEOSA-N 1 0 292.379 1.340 40 0 CDABRO Cc1cccc(N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000157590208 136396182 /nfs/dbraw/zinc/39/61/82/136396182.db2.gz XWJGPKSQYFOEPV-UHFFFAOYSA-N 1 0 263.385 1.673 40 0 CDABRO COC[C@@H]1CCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000635962043 362823990 /nfs/dbraw/zinc/82/39/90/362823990.db2.gz LFUJWSXDFUMIFO-LBPRGKRZSA-N 1 0 252.358 1.110 40 0 CDABRO CC1(C)C[C@@H]1C(=O)Nc1c[nH+]ccc1N1CCOCC1 ZINC000153124139 347657445 /nfs/dbraw/zinc/65/74/45/347657445.db2.gz JEBOBIWVUYAUFJ-LLVKDONJSA-N 1 0 275.352 1.903 40 0 CDABRO CC[NH+]1CCN(C(=O)/C=C/c2ccccc2OC)CC1 ZINC000068191700 348740638 /nfs/dbraw/zinc/74/06/38/348740638.db2.gz QYPVERQQQQGSIU-CMDGGOBGSA-N 1 0 274.364 1.873 40 0 CDABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000091212124 180112421 /nfs/dbraw/zinc/11/24/21/180112421.db2.gz QNMXOMKUYYRTMR-OAHLLOKOSA-N 1 0 298.390 1.830 40 0 CDABRO COC(=O)[C@H]1C[C@]2(c3ccccc3NC2=O)[N@@H+]2CCC[C@H]12 ZINC000062716017 350409654 /nfs/dbraw/zinc/40/96/54/350409654.db2.gz GILNPVJKDQWNGY-OWRWGESLSA-N 1 0 286.331 1.491 40 0 CDABRO CCCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170335218 282811260 /nfs/dbraw/zinc/81/12/60/282811260.db2.gz SVLPNDHWHJMGMC-UHFFFAOYSA-N 1 0 283.416 1.328 40 0 CDABRO OC1(C[N@@H+]2CCC[C@@H](c3nccs3)C2)CCOCC1 ZINC000153004697 363349011 /nfs/dbraw/zinc/34/90/11/363349011.db2.gz NKORTZPAMIUOFE-GFCCVEGCSA-N 1 0 282.409 1.864 40 0 CDABRO CCOC(=O)C1CC[NH+](CC[C@H](O)C(F)(F)F)CC1 ZINC000000152364 355891566 /nfs/dbraw/zinc/89/15/66/355891566.db2.gz YBEWSDMAHZCIDN-JTQLQIEISA-N 1 0 283.290 1.575 40 0 CDABRO COC(=O)[C@H]1C(=O)C[C@H]2[N@@H+](C)[C@@H]1C(C)(C)C2(C)C ZINC000001733213 355950298 /nfs/dbraw/zinc/95/02/98/355950298.db2.gz ZBUSBQXKKWHUNU-VWYCJHECSA-N 1 0 253.342 1.483 40 0 CDABRO [NH3+]CCN1C(=O)c2ccccc2[C@]1(O)c1ccccc1 ZINC000004801939 356042867 /nfs/dbraw/zinc/04/28/67/356042867.db2.gz MXSAPVMERXGFSJ-MRXNPFEDSA-N 1 0 268.316 1.295 40 0 CDABRO [NH3+]CC(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000032109207 356831487 /nfs/dbraw/zinc/83/14/87/356831487.db2.gz VFYXPDHAFLDMBJ-UHFFFAOYSA-N 1 0 256.708 1.929 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079410049 356992366 /nfs/dbraw/zinc/99/23/66/356992366.db2.gz YCWRBRHMLYYZRA-RYUDHWBXSA-N 1 0 299.415 1.438 40 0 CDABRO CCN(C[C@@H]1CCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408427 356992689 /nfs/dbraw/zinc/99/26/89/356992689.db2.gz OCRNYFXNMCZDSF-GFCCVEGCSA-N 1 0 271.405 1.524 40 0 CDABRO CN(C[C@H]1CCN(CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411481 356993670 /nfs/dbraw/zinc/99/36/70/356993670.db2.gz SIMGLOBWRUDRNJ-OAHLLOKOSA-N 1 0 291.395 1.536 40 0 CDABRO Cc1ccc(C(=O)N2CC3(C2)C[C@@H](CO)C[N@H+]3C)cc1F ZINC000585093816 358098982 /nfs/dbraw/zinc/09/89/82/358098982.db2.gz HLRCQEFDDONVJI-GFCCVEGCSA-N 1 0 292.354 1.273 40 0 CDABRO COc1ccc(Br)c(COC[C@@H](O)C[NH3+])c1 ZINC000095096218 366434481 /nfs/dbraw/zinc/43/44/81/366434481.db2.gz JCDPDDIUYOSZIR-VIFPVBQESA-N 1 0 290.157 1.294 40 0 CDABRO O=c1cc(N2CC[NH2+]CC2)c(-c2ccc(Cl)cc2)n[nH]1 ZINC000095095766 358678071 /nfs/dbraw/zinc/67/80/71/358678071.db2.gz GSUSCMLLVBMZRD-UHFFFAOYSA-N 1 0 290.754 1.912 40 0 CDABRO O=C(C1CC1)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161625 358711026 /nfs/dbraw/zinc/71/10/26/358711026.db2.gz RQGGOTMCQMYIFM-OKILXGFUSA-N 1 0 271.364 1.382 40 0 CDABRO NC(=O)N1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096161563 358711034 /nfs/dbraw/zinc/71/10/34/358711034.db2.gz AMASBGDZHBHTLY-AOOOYVTPSA-N 1 0 251.355 1.190 40 0 CDABRO Cc1csc(NC(=O)[C@H]2C[NH2+]Cc3ccnn3C2)n1 ZINC000096188881 358715542 /nfs/dbraw/zinc/71/55/42/358715542.db2.gz FTYPSSMGLXQJCV-VIFPVBQESA-N 1 0 277.353 1.006 40 0 CDABRO O=C(C[C@H]1C[C@H]2C[N@H+](CC3CC3)C[C@H]2O1)N1CCCCO1 ZINC000096216651 358721231 /nfs/dbraw/zinc/72/12/31/358721231.db2.gz BOSHHIUXRVCKHJ-RRFJBIMHSA-N 1 0 294.395 1.430 40 0 CDABRO Cc1nc(NCC2CC2)nc2c1COC[C@]21CC[NH2+]C1 ZINC000096244522 358725035 /nfs/dbraw/zinc/72/50/35/358725035.db2.gz GGCJUAGLAZQRRN-OAHLLOKOSA-N 1 0 274.368 1.368 40 0 CDABRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](CCO)CC2 ZINC000096261139 358729718 /nfs/dbraw/zinc/72/97/18/358729718.db2.gz HMWXSJQXUCSFQP-HNNXBMFYSA-N 1 0 288.391 1.459 40 0 CDABRO [NH3+]C[C@@H]1CCN(Cc2ccc(Cl)cc2F)S1(=O)=O ZINC000222539313 359352118 /nfs/dbraw/zinc/35/21/18/359352118.db2.gz GSULCCWPCBYXTG-JTQLQIEISA-N 1 0 292.763 1.342 40 0 CDABRO O=C(c1ccc(F)cc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932286 359509172 /nfs/dbraw/zinc/50/91/72/359509172.db2.gz KSIOZKMXVGXATP-LLVKDONJSA-N 1 0 266.291 1.885 40 0 CDABRO Cc1ccc(F)cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000062666769 365250517 /nfs/dbraw/zinc/25/05/17/365250517.db2.gz GLZBBYKXCFGYQU-UHFFFAOYSA-N 1 0 250.317 1.945 40 0 CDABRO COc1ccc(CC(=O)NC2CC[NH+](C)CC2)cc1C ZINC000224133541 189741178 /nfs/dbraw/zinc/74/11/78/189741178.db2.gz JOQRVUXUWPTCFJ-UHFFFAOYSA-N 1 0 276.380 1.757 40 0 CDABRO Fc1ccc(N2CC[NH+](CCC3OCCO3)CC2)nc1 ZINC000225612440 375172145 /nfs/dbraw/zinc/17/21/45/375172145.db2.gz ZUVLJCZGAWKMFA-UHFFFAOYSA-N 1 0 281.331 1.106 40 0 CDABRO CCOC(=O)[C@@]1(COC)CCCN(Cc2nnc(C)o2)C1 ZINC000225633684 375174641 /nfs/dbraw/zinc/17/46/41/375174641.db2.gz QPUVPNITBKOONZ-AWEZNQCLSA-N 1 0 297.355 1.170 40 0 CDABRO CC(C)n1nc(C2CC2)cc1C[NH2+]CCN1CCOCC1 ZINC000256053678 190004803 /nfs/dbraw/zinc/00/48/03/190004803.db2.gz SJJZWXMWMIGHKB-UHFFFAOYSA-N 1 0 292.427 1.763 40 0 CDABRO CCc1nc(C)c(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)[nH]1 ZINC000257231357 190016023 /nfs/dbraw/zinc/01/60/23/190016023.db2.gz GGIICDWORIPSOQ-ZFWWWQNUSA-N 1 0 279.384 1.396 40 0 CDABRO CCn1nccc1-c1cncc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000257243935 190018950 /nfs/dbraw/zinc/01/89/50/190018950.db2.gz IJDZMVJISQIXRB-LBPRGKRZSA-N 1 0 271.368 1.902 40 0 CDABRO O[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@@]12CCCO2 ZINC000257246282 190019505 /nfs/dbraw/zinc/01/95/05/190019505.db2.gz ITLBJIREHHECIL-GJZGRUSLSA-N 1 0 265.328 1.942 40 0 CDABRO CC[C@H]([NH3+])Cn1nc(-c2ccc(F)c(F)c2)ccc1=O ZINC000257268964 190023671 /nfs/dbraw/zinc/02/36/71/190023671.db2.gz MNZKMFQSVSOVBT-JTQLQIEISA-N 1 0 279.290 1.926 40 0 CDABRO CNc1ncccc1C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257257913 190021628 /nfs/dbraw/zinc/02/16/28/190021628.db2.gz KRPIQQAZTMTYIN-ZFWWWQNUSA-N 1 0 277.368 1.239 40 0 CDABRO CCN(CC)C(=O)c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257263382 190022581 /nfs/dbraw/zinc/02/25/81/190022581.db2.gz LPQJUEHCYBWDTB-GFCCVEGCSA-N 1 0 276.384 1.768 40 0 CDABRO Cn1cncc1CN1CCC[C@@]2(C)[C@H]1CCC[N@@H+]2C ZINC000257261217 190022635 /nfs/dbraw/zinc/02/26/35/190022635.db2.gz LGFLNTNVEXMOBQ-CABCVRRESA-N 1 0 262.401 1.869 40 0 CDABRO C[C@@]1(C(=O)NCc2ccccc2Cl)C[NH2+]CCO1 ZINC000257286384 190027301 /nfs/dbraw/zinc/02/73/01/190027301.db2.gz PLJYKLHEWPOUAA-ZDUSSCGKSA-N 1 0 268.744 1.335 40 0 CDABRO Cc1nc(C[C@H]2CCC[NH2+]C2)cc(C(=O)N(C)C)n1 ZINC000257276478 190025115 /nfs/dbraw/zinc/02/51/15/190025115.db2.gz NTXJSPOEIMFJMZ-LLVKDONJSA-N 1 0 262.357 1.029 40 0 CDABRO CC1(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000257308772 190030891 /nfs/dbraw/zinc/03/08/91/190030891.db2.gz TYAXTYDFHFKFSW-ZIAGYGMSSA-N 1 0 280.412 1.624 40 0 CDABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cnccn3)C2)n1 ZINC000257306773 190030894 /nfs/dbraw/zinc/03/08/94/190030894.db2.gz SVVAPQDAFXTBEQ-GFCCVEGCSA-N 1 0 257.341 1.508 40 0 CDABRO Cc1ncc(C[N@@H+]2CCC[C@H](Cc3nccnc3N)C2)cn1 ZINC000257308963 190030977 /nfs/dbraw/zinc/03/09/77/190030977.db2.gz TYYCFUYEFUUQBH-CYBMUJFWSA-N 1 0 298.394 1.612 40 0 CDABRO CNc1cc([C@H]2CCC[N@H+](CC(=O)N(C)C)C2)ccn1 ZINC000257305631 190031239 /nfs/dbraw/zinc/03/12/39/190031239.db2.gz SQVLUYNQUQHMKC-ZDUSSCGKSA-N 1 0 276.384 1.391 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@@H]3[C@H]2CCCC(=O)N3C)cn1 ZINC000257334304 190035950 /nfs/dbraw/zinc/03/59/50/190035950.db2.gz YFJCLRGCKBOGDF-ZIAGYGMSSA-N 1 0 276.384 1.395 40 0 CDABRO CCCOC(=O)c1ccc(N2CC[NH+](C)CC2)c(N)c1 ZINC000070461626 377035928 /nfs/dbraw/zinc/03/59/28/377035928.db2.gz AIXMXMVANIRQSN-UHFFFAOYSA-N 1 0 277.368 1.587 40 0 CDABRO O=C(c1nc2c(s1)CC[NH2+]CC2)N1CCCC1 ZINC000096147030 284768545 /nfs/dbraw/zinc/76/85/45/284768545.db2.gz DLLRSVDFQYZREO-UHFFFAOYSA-N 1 0 251.355 1.067 40 0 CDABRO O=C1c2ccccc2C2=C1N(O)[C@H]1CCCC[C@@H]1[N+]2=O ZINC000169295042 285024380 /nfs/dbraw/zinc/02/43/80/285024380.db2.gz CSPAZJUKGODKGZ-RYUDHWBXSA-N 1 0 270.288 1.458 40 0 CDABRO CCN(C[C@@H]1CCC[N@@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407970 285023334 /nfs/dbraw/zinc/02/33/34/285023334.db2.gz ZTQBDYBNQBZWRD-LBPRGKRZSA-N 1 0 272.389 1.700 40 0 CDABRO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000011967528 285037446 /nfs/dbraw/zinc/03/74/46/285037446.db2.gz XSRMKMOENOZYAO-SNVBAGLBSA-N 1 0 257.330 1.599 40 0 CDABRO COCC[C@H]1CCOC2(C[NH+](C3CCOCC3)C2)C1 ZINC000247816930 285180137 /nfs/dbraw/zinc/18/01/37/285180137.db2.gz BQKZAJHVKKWNOF-ZDUSSCGKSA-N 1 0 269.385 1.683 40 0 CDABRO O=c1ccc2c([nH]1)CC[C@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000096067522 285222171 /nfs/dbraw/zinc/22/21/71/285222171.db2.gz CSXDVCSZPNUBRA-ZDUSSCGKSA-N 1 0 298.342 1.751 40 0 CDABRO [NH3+]C[C@H](O)COCc1ccc(F)c(C(F)(F)F)c1 ZINC000095096254 184943914 /nfs/dbraw/zinc/94/39/14/184943914.db2.gz LISXIKKHQSJRAM-QMMMGPOBSA-N 1 0 267.222 1.681 40 0 CDABRO NC(=[NH2+])[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000223178359 391921517 /nfs/dbraw/zinc/92/15/17/391921517.db2.gz DYIWQOXKOMXSHY-CQSZACIVSA-N 1 0 293.326 1.830 40 0 CDABRO COc1cc(OC)nc(NC[C@H]([NH3+])c2ccccc2)n1 ZINC000131303553 139835499 /nfs/dbraw/zinc/83/54/99/139835499.db2.gz BBZUDZGXVUWFBA-NSHDSACASA-N 1 0 274.324 1.606 40 0 CDABRO CO[C@H]1C[C@@H]([NH3+])[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 ZINC000005572737 170115072 /nfs/dbraw/zinc/11/50/72/170115072.db2.gz YHLKFUVZZXJDKE-ITGHMWBKSA-N 1 0 265.309 1.189 40 0 CDABRO CC[NH+]1CCN([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000022585876 171393533 /nfs/dbraw/zinc/39/35/33/171393533.db2.gz CFGRJFGTOBAVKI-AWEZNQCLSA-N 1 0 287.407 1.602 40 0 CDABRO Cn1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000044870557 175268542 /nfs/dbraw/zinc/26/85/42/175268542.db2.gz ZQJVXWYUUKLGDN-UHFFFAOYSA-N 1 0 298.390 1.815 40 0 CDABRO C[NH+](C)CCCOc1ccc([C@H]([NH3+])C(=O)[O-])cc1 ZINC000072196688 176338810 /nfs/dbraw/zinc/33/88/10/176338810.db2.gz SMVZWRFACMKHHL-LBPRGKRZSA-N 1 0 252.314 1.102 40 0 CDABRO O=C(c1ccc(C2CC[NH2+]CC2)nc1)N1CCOCC1 ZINC000072343651 176372213 /nfs/dbraw/zinc/37/22/13/176372213.db2.gz ZHHSAQYYWBTYDJ-UHFFFAOYSA-N 1 0 275.352 1.021 40 0 CDABRO Cc1ccc2[nH]c(C3CC[NH+](CC(N)=O)CC3)nc2c1 ZINC000072351160 176374182 /nfs/dbraw/zinc/37/41/82/176374182.db2.gz SHXFIOPMQBBCBR-UHFFFAOYSA-N 1 0 272.352 1.536 40 0 CDABRO Cc1ccn(CCNC(=O)c2cccc([C@H]3CCC[NH2+]3)n2)n1 ZINC000072365688 176381267 /nfs/dbraw/zinc/38/12/67/176381267.db2.gz WRFMVZLXBAHDPI-CYBMUJFWSA-N 1 0 299.378 1.441 40 0 CDABRO Cc1cccc(OC[C@H]2CCC[N@H+](CC(N)=O)C2)c1 ZINC000072367784 176382804 /nfs/dbraw/zinc/38/28/04/176382804.db2.gz HXMIWBPHZSSUQU-ZDUSSCGKSA-N 1 0 262.353 1.571 40 0 CDABRO COC(=O)[C@@H]1C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072398071 176396142 /nfs/dbraw/zinc/39/61/42/176396142.db2.gz XNWMGKAGYXRTAI-IPYPFGDCSA-N 1 0 273.332 1.782 40 0 CDABRO O=C(CCn1ncc2ccccc21)NCC[NH+]1CCCC1 ZINC000040768994 260519213 /nfs/dbraw/zinc/51/92/13/260519213.db2.gz QPJPBWBRYAQFSQ-UHFFFAOYSA-N 1 0 286.379 1.638 40 0 CDABRO CCCNc1ncc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000062717684 262302376 /nfs/dbraw/zinc/30/23/76/262302376.db2.gz VNRSDTGKFNJJOP-GFCCVEGCSA-N 1 0 250.346 1.567 40 0 CDABRO Cc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000062717766 262302383 /nfs/dbraw/zinc/30/23/83/262302383.db2.gz FBNIBEGJLPIEDO-UHFFFAOYSA-N 1 0 298.390 1.911 40 0 CDABRO CC[NH+](CC)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000004280272 279120319 /nfs/dbraw/zinc/12/03/19/279120319.db2.gz LEIZMQQJZKZPKQ-CQSZACIVSA-N 1 0 280.368 1.727 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000079409995 280272270 /nfs/dbraw/zinc/27/22/70/280272270.db2.gz IXXNWUBFEFXWLT-NEPJUHHUSA-N 1 0 299.415 1.485 40 0 CDABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccncc2)C1 ZINC000096086772 289203533 /nfs/dbraw/zinc/20/35/33/289203533.db2.gz HHSHNBXVDBNCKT-HNNXBMFYSA-N 1 0 285.395 1.472 40 0 CDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)c(F)c(F)c1 ZINC000063008301 297103516 /nfs/dbraw/zinc/10/35/16/297103516.db2.gz SPJALNBAJGJVQW-SSDOTTSWSA-N 1 0 258.243 1.538 40 0 CDABRO COC(=O)c1cc(C[NH3+])ccc1N1CCCCC1=O ZINC000199823296 327142022 /nfs/dbraw/zinc/14/20/22/327142022.db2.gz BEXNLJBKHBPVID-UHFFFAOYSA-N 1 0 262.309 1.449 40 0 CDABRO NC(=O)Cc1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1 ZINC000898113282 621325697 /nfs/dbraw/zinc/32/56/97/621325697.db2.gz WOVJOAWPMKIVDG-OAHLLOKOSA-N 1 0 288.391 1.906 40 0 CDABRO C[N@H+](Cc1[nH]nc2c1COCC2)[C@@H]1CCSC1 ZINC000930093854 933314498 /nfs/dbraw/zinc/31/44/98/933314498.db2.gz NRERYHDNKMLWGS-SECBINFHSA-N 1 0 253.371 1.420 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC001548448177 967499956 /nfs/dbraw/zinc/49/99/56/967499956.db2.gz SBSGREQCZXQENQ-DDTOSNHZSA-N 1 0 296.798 1.622 40 0 CDABRO C[C@@H]1C(=O)NC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC000096043660 185070964 /nfs/dbraw/zinc/07/09/64/185070964.db2.gz WNHFYIOAGIESKG-QEJZJMRPSA-N 1 0 258.365 1.543 40 0 CDABRO O[C@H]1CC[N@H+](Cc2ccoc2)[C@H]1Cc1cccnc1 ZINC000096061633 185083166 /nfs/dbraw/zinc/08/31/66/185083166.db2.gz MTHAFHRGVFJDJV-GJZGRUSLSA-N 1 0 258.321 1.853 40 0 CDABRO CC(C)([NH2+]CCCN1CCOC1=O)c1nccs1 ZINC000072662413 361819713 /nfs/dbraw/zinc/81/97/13/361819713.db2.gz VWKCRNCHAWQQGP-UHFFFAOYSA-N 1 0 269.370 1.810 40 0 CDABRO Fc1cccnc1NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC000096078448 185089893 /nfs/dbraw/zinc/08/98/93/185089893.db2.gz CMUFNKVQSPIEAB-FZMZJTMJSA-N 1 0 281.331 1.028 40 0 CDABRO O=C(c1cccnc1)N1C[C@@H]2CC[N@H+](CC3CC3)C[C@@H]2C1 ZINC000096081412 185091223 /nfs/dbraw/zinc/09/12/23/185091223.db2.gz XUPOZJZQNCATAM-JKSUJKDBSA-N 1 0 285.391 1.886 40 0 CDABRO C[NH+](C)CCN1C[C@H]2CC[C@@H]1[C@@H]2Oc1ccccn1 ZINC000096083678 185092842 /nfs/dbraw/zinc/09/28/42/185092842.db2.gz VSUFAVBEIQLNHS-UMVBOHGHSA-N 1 0 261.369 1.485 40 0 CDABRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cscn2)C[C@H](C)O1 ZINC000083026445 178335215 /nfs/dbraw/zinc/33/52/15/178335215.db2.gz FBPYQLNMCGTBDD-TXEJJXNPSA-N 1 0 297.424 1.762 40 0 CDABRO O=C(NCCc1ccccc1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096110012 185099830 /nfs/dbraw/zinc/09/98/30/185099830.db2.gz VAZHRIBTTGGDLY-HNNXBMFYSA-N 1 0 288.391 1.647 40 0 CDABRO CO[C@H]1CCCN(C(=O)CC[NH3+])[C@H]1Cc1ccc(C)cc1 ZINC000585274880 342255988 /nfs/dbraw/zinc/25/59/88/342255988.db2.gz QHCLLGCUYYUFIU-HOTGVXAUSA-N 1 0 290.407 1.892 40 0 CDABRO CO[C@H]1C[N@H+](Cc2cccnc2C)C[C@H]1CC(=O)N(C)C ZINC000585277334 342256408 /nfs/dbraw/zinc/25/64/08/342256408.db2.gz URELVJFGIZZLQN-CABCVRRESA-N 1 0 291.395 1.315 40 0 CDABRO c1ccc(NC[C@@H]2CO[C@@H]3C[N@@H+](C4CCC4)C[C@H]23)nc1 ZINC000248065351 362148935 /nfs/dbraw/zinc/14/89/35/362148935.db2.gz RBRHKOJCNHNFOT-BPLDGKMQSA-N 1 0 273.380 1.993 40 0 CDABRO Cn1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)ccc1=O ZINC000257272979 362582146 /nfs/dbraw/zinc/58/21/46/362582146.db2.gz NESXUKYWCGURAI-HNNXBMFYSA-N 1 0 297.358 1.172 40 0 CDABRO CS(=O)(=O)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257317769 362585754 /nfs/dbraw/zinc/58/57/54/362585754.db2.gz VLBCULIJDCEVCD-ZIAGYGMSSA-N 1 0 286.441 1.675 40 0 CDABRO [NH3+]C1CCN(c2nccn3nc(C4CC4)cc23)CC1 ZINC000096516389 136520943 /nfs/dbraw/zinc/52/09/43/136520943.db2.gz HPFKFPOMBIIOKD-UHFFFAOYSA-N 1 0 257.341 1.534 40 0 CDABRO CNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1cn(C)nc1C)C2 ZINC000108532692 186222114 /nfs/dbraw/zinc/22/21/14/186222114.db2.gz SACSIEUMWGEEAJ-HOCLYGCPSA-N 1 0 290.411 1.467 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CCCCC3)C[C@@H]2C1 ZINC000096107942 283001013 /nfs/dbraw/zinc/00/10/13/283001013.db2.gz PQGWVJHOTGMTNL-UONOGXRCSA-N 1 0 266.385 1.356 40 0 CDABRO CCOC(=O)C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000004203239 356022162 /nfs/dbraw/zinc/02/21/62/356022162.db2.gz JWIFFLUEVLMGJF-QWRGUYRKSA-N 1 0 286.372 1.585 40 0 CDABRO O=C(c1cccc(Br)c1)N1CCC[NH2+]CC1 ZINC000019426482 358503295 /nfs/dbraw/zinc/50/32/95/358503295.db2.gz QHAJTZFWWPBFJG-UHFFFAOYSA-N 1 0 283.169 1.885 40 0 CDABRO C[NH+](C)CCCNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000036140853 356862170 /nfs/dbraw/zinc/86/21/70/356862170.db2.gz NMLRLNZOGIUSLD-UHFFFAOYSA-N 1 0 289.379 1.495 40 0 CDABRO CC(C)N(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)C[NH3+] ZINC000079391103 356988324 /nfs/dbraw/zinc/98/83/24/356988324.db2.gz NMYZULRPSWLFBY-GFCCVEGCSA-N 1 0 299.415 1.439 40 0 CDABRO C[N@H+](CCO)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391644 356988691 /nfs/dbraw/zinc/98/86/91/356988691.db2.gz JESLVIJOYXCDQE-HNNXBMFYSA-N 1 0 292.379 1.569 40 0 CDABRO C[N@@H+]1C[C@@H](CO)CC12CN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000585093820 358098925 /nfs/dbraw/zinc/09/89/25/358098925.db2.gz HRENZTBOUQYCEJ-JTQLQIEISA-N 1 0 296.317 1.103 40 0 CDABRO C[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1cccnc1)O2 ZINC000096208317 358720111 /nfs/dbraw/zinc/72/01/11/358720111.db2.gz IBQGNWDJSAHRLT-GOEBONIOSA-N 1 0 289.379 1.455 40 0 CDABRO O=C(C[C@@H]1OC[C@H]2C[N@@H+](C3CCC3)CC[C@H]21)NCC1CC1 ZINC000096206170 358720441 /nfs/dbraw/zinc/72/04/41/358720441.db2.gz ULMVOWMDUHZVEJ-BMFZPTHFSA-N 1 0 292.423 1.792 40 0 CDABRO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@H+](CC3CC3)C[C@H]1O2 ZINC000096252963 358727620 /nfs/dbraw/zinc/72/76/20/358727620.db2.gz GVFMBPLRERCPQC-HZSPNIEDSA-N 1 0 266.385 1.258 40 0 CDABRO CCOc1ncnc2c1CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096255598 358728643 /nfs/dbraw/zinc/72/86/43/358728643.db2.gz QCDVLLQFJHBEEZ-UHFFFAOYSA-N 1 0 287.367 1.210 40 0 CDABRO CCN(CC)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096268897 358731801 /nfs/dbraw/zinc/73/18/01/358731801.db2.gz ADUDSQPUGRMTFD-LBPRGKRZSA-N 1 0 254.374 1.404 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@H](c2ccncc2)N1 ZINC000022238414 359048784 /nfs/dbraw/zinc/04/87/84/359048784.db2.gz GHKQCOCMYZWOPC-GFCCVEGCSA-N 1 0 292.302 1.079 40 0 CDABRO [NH3+]C[C@@H]1CCN(c2ccc(F)c(Cl)c2)S1(=O)=O ZINC000222544332 359353307 /nfs/dbraw/zinc/35/33/07/359353307.db2.gz XTZXEKWJSLSTCU-QMMMGPOBSA-N 1 0 278.736 1.346 40 0 CDABRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000225532505 361075024 /nfs/dbraw/zinc/07/50/24/361075024.db2.gz GKNREJQFUSJDDI-CHWSQXEVSA-N 1 0 286.416 1.765 40 0 CDABRO COCC[N@@H+]1CC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC000528470184 367851955 /nfs/dbraw/zinc/85/19/55/367851955.db2.gz DCRBVWFFROLXOX-LLVKDONJSA-N 1 0 281.356 1.249 40 0 CDABRO CC(C)[N@@H+]1CC[C@H](c2nnc(-c3cncn3C)o2)C1 ZINC000049170496 373982120 /nfs/dbraw/zinc/98/21/20/373982120.db2.gz KHPPSUJXZQEZQW-JTQLQIEISA-N 1 0 261.329 1.668 40 0 biogenic,in-vitro CDABRO Cc1n[nH]nc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000330031820 374248122 /nfs/dbraw/zinc/24/81/22/374248122.db2.gz DTANXYHUJQZXMJ-UHFFFAOYSA-N 1 0 285.351 1.961 40 0 CDABRO CC[C@@H](COc1ccccc1)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000225488653 374496147 /nfs/dbraw/zinc/49/61/47/374496147.db2.gz BBEAKQNQUZYKKV-WFASDCNBSA-N 1 0 280.343 1.662 40 0 CDABRO COC[C@H]1CCCN(CC(=O)NCC(F)(F)F)C1 ZINC000079091165 374767735 /nfs/dbraw/zinc/76/77/35/374767735.db2.gz BNLVDURUHZTMIY-VIFPVBQESA-N 1 0 268.279 1.023 40 0 CDABRO CCN(C)c1nc2c(cc1C(=O)OC)CC[NH2+]CC2 ZINC000306137824 374969323 /nfs/dbraw/zinc/96/93/23/374969323.db2.gz RHKIVFRBPUZRDJ-UHFFFAOYSA-N 1 0 263.341 1.013 40 0 CDABRO COc1ncccc1C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000225617566 375171960 /nfs/dbraw/zinc/17/19/60/375171960.db2.gz NOCAKIYTRXPEDZ-WCQYABFASA-N 1 0 250.342 1.947 40 0 CDABRO CCOC(=O)[C@]1(COC)CCCN(Cc2nnc(C)o2)C1 ZINC000225633720 375174602 /nfs/dbraw/zinc/17/46/02/375174602.db2.gz QPUVPNITBKOONZ-CQSZACIVSA-N 1 0 297.355 1.170 40 0 CDABRO [NH3+]CCCOC1CCN(C(=O)c2cccc(Cl)n2)CC1 ZINC000162209173 375293863 /nfs/dbraw/zinc/29/38/63/375293863.db2.gz HXLKWMKKBKETAN-UHFFFAOYSA-N 1 0 297.786 1.705 40 0 CDABRO Cn1cc(C[NH2+]C[C@@H]2CCCO2)c(C(F)(F)F)n1 ZINC000256053944 190005088 /nfs/dbraw/zinc/00/50/88/190005088.db2.gz UGUGTFMKIVEIGR-VIFPVBQESA-N 1 0 263.263 1.708 40 0 CDABRO Cc1nn(C)cc1C[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256054920 190005523 /nfs/dbraw/zinc/00/55/23/190005523.db2.gz YIXHYWBQMODMEW-UHFFFAOYSA-N 1 0 287.289 1.777 40 0 CDABRO c1ccc(-c2ccc3nnc([C@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217557600 375670562 /nfs/dbraw/zinc/67/05/62/375670562.db2.gz BKAVLNSWHLRTMY-LBPRGKRZSA-N 1 0 265.320 1.868 40 0 CDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000217670551 375700353 /nfs/dbraw/zinc/70/03/53/375700353.db2.gz UEVQFQHLXDQCMU-MNOVXSKESA-N 1 0 263.293 1.234 40 0 CDABRO [NH3+][C@@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218041309 375780609 /nfs/dbraw/zinc/78/06/09/375780609.db2.gz QSGXPGZAIDUJBB-KFWWJZLASA-N 1 0 273.357 1.954 40 0 CDABRO CCOC[C@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217978740 375770020 /nfs/dbraw/zinc/77/00/20/375770020.db2.gz WWPMYTOKVNMVIW-QWHCGFSZSA-N 1 0 269.366 1.214 40 0 CDABRO Cc1cc(-c2cc(CC3CC[NH2+]CC3)ncn2)n[nH]1 ZINC000257259653 190022226 /nfs/dbraw/zinc/02/22/26/190022226.db2.gz KZISZFVHVOVAIN-UHFFFAOYSA-N 1 0 257.341 1.717 40 0 CDABRO CCCNC(=O)c1ccccc1-n1cc(C[NH3+])cn1 ZINC000257279261 190025269 /nfs/dbraw/zinc/02/52/69/190025269.db2.gz OFUMXEPVBFXBFK-UHFFFAOYSA-N 1 0 258.325 1.471 40 0 CDABRO COCC[N@@H+]1CCC[C@H]1c1nccnc1-c1cc[nH]n1 ZINC000257305775 190030804 /nfs/dbraw/zinc/03/08/04/190030804.db2.gz SRLZAKDICDGENJ-LBPRGKRZSA-N 1 0 273.340 1.650 40 0 CDABRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000173277688 378094133 /nfs/dbraw/zinc/09/41/33/378094133.db2.gz YXFGWJBACZGQKY-CQSZACIVSA-N 1 0 281.444 1.661 40 0 CDABRO Cc1cc(N2CC[NH2+]CC2)ncc1[C@@H](O)c1ccccc1 ZINC000072223580 256704953 /nfs/dbraw/zinc/70/49/53/256704953.db2.gz RDNDXRRGSCLNPL-KRWDZBQOSA-N 1 0 283.375 1.881 40 0 CDABRO CN(C)C(=O)C[C@H]1OC[C@H]2C[N@H+](CC3CC3)CC[C@@H]12 ZINC000096207376 256824193 /nfs/dbraw/zinc/82/41/93/256824193.db2.gz OHVJPGHYUUGLOV-MGPQQGTHSA-N 1 0 266.385 1.212 40 0 CDABRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(Br)c1 ZINC000001666578 390140257 /nfs/dbraw/zinc/14/02/57/390140257.db2.gz KOOABGSEBLNWKJ-UHFFFAOYSA-N 1 0 296.172 1.635 40 0 CDABRO [NH3+]C[C@H](O)COCc1cccc(Br)c1 ZINC000095096276 184943667 /nfs/dbraw/zinc/94/36/67/184943667.db2.gz XWNSQEHMVYXBSF-JTQLQIEISA-N 1 0 260.131 1.285 40 0 CDABRO C1=C[C@@H]2CC[C@H]1[C@H]1C[N@H+](CCCN3CCOCC3)C[C@@H]12 ZINC000004917415 390156987 /nfs/dbraw/zinc/15/69/87/390156987.db2.gz XGPHOQQYQNGMRZ-YYIAUSFCSA-N 1 0 276.424 1.853 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000079391209 390421653 /nfs/dbraw/zinc/42/16/53/390421653.db2.gz QPMPOAUWZYTLDZ-QWRGUYRKSA-N 1 0 285.388 1.192 40 0 CDABRO CCn1cc(CN(C)C[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000096523677 390537844 /nfs/dbraw/zinc/53/78/44/390537844.db2.gz HWCRWVSEGHMXCC-ZDUSSCGKSA-N 1 0 250.390 1.643 40 0 CDABRO COC[C@@H]1CN(C(C)=O)CC[N@H+](Cc2cccnc2)C1 ZINC000072343689 390627329 /nfs/dbraw/zinc/62/73/29/390627329.db2.gz NWDDOVJCBCFEEW-HNNXBMFYSA-N 1 0 277.368 1.008 40 0 CDABRO CN(C)C(=O)[C@@H]1CN(Cc2ccoc2)Cc2ncn(C)c21 ZINC000247960782 391423472 /nfs/dbraw/zinc/42/34/72/391423472.db2.gz FHTUPVXWFYTCHL-GFCCVEGCSA-N 1 0 288.351 1.201 40 0 CDABRO CN(C)[C@@H](C[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000255188860 391634554 /nfs/dbraw/zinc/63/45/54/391634554.db2.gz MASDWELVFFSFEB-LBPRGKRZSA-N 1 0 269.776 1.770 40 0 CDABRO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[NH2+]C[C@H]32)cs1 ZINC000306122997 392105758 /nfs/dbraw/zinc/10/57/58/392105758.db2.gz ABYASKGHFRDLRT-CHWSQXEVSA-N 1 0 288.376 1.422 40 0 CDABRO Cc1ccsc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000225583006 393195845 /nfs/dbraw/zinc/19/58/45/393195845.db2.gz BRUODXIXBZCYDY-GARJFASQSA-N 1 0 250.367 1.866 40 0 CDABRO COCCc1ccc(OC[C@H](O)C(C)(C)[NH3+])cc1 ZINC000002019988 169768328 /nfs/dbraw/zinc/76/83/28/169768328.db2.gz LAWLHMWODZUZJH-ZDUSSCGKSA-N 1 0 253.342 1.353 40 0 in-man CDABRO Cc1c(Cl)cccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000005251331 170080087 /nfs/dbraw/zinc/08/00/87/170080087.db2.gz WMHNNABYHCBLIW-UHFFFAOYSA-N 1 0 297.786 1.655 40 0 CDABRO CO[C@H]1C[C@H]([NH3+])[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 ZINC000005572733 170115153 /nfs/dbraw/zinc/11/51/53/170115153.db2.gz YHLKFUVZZXJDKE-QNSTZXKLSA-N 1 0 265.309 1.189 40 0 CDABRO COC(=O)C[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000035747954 172395979 /nfs/dbraw/zinc/39/59/79/172395979.db2.gz XQKXOWNZPLPJIJ-NSHDSACASA-N 1 0 251.326 1.779 40 0 CDABRO COc1cccc([C@H](C[NH3+])N2CCCC2)c1OC ZINC000038827572 174155912 /nfs/dbraw/zinc/15/59/12/174155912.db2.gz DEKGLUSDYOVFGR-LBPRGKRZSA-N 1 0 250.342 1.799 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]c1=O ZINC000040039602 174184149 /nfs/dbraw/zinc/18/41/49/174184149.db2.gz ROOQIVWHRMULLO-CYBMUJFWSA-N 1 0 299.374 1.742 40 0 CDABRO NC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000058135359 175608117 /nfs/dbraw/zinc/60/81/17/175608117.db2.gz KVJQCEFZPHANMF-ZDUSSCGKSA-N 1 0 275.352 1.799 40 0 CDABRO CNC(=O)c1cc([C@H]2CCC[N@@H+](C(C)C)C2)n[nH]1 ZINC000072380442 176387196 /nfs/dbraw/zinc/38/71/96/176387196.db2.gz HAQUIAJYKYRZRQ-JTQLQIEISA-N 1 0 250.346 1.357 40 0 CDABRO O=C(NCC(F)F)c1cc([C@H]2CCC[NH2+]2)ccn1 ZINC000072387064 176392555 /nfs/dbraw/zinc/39/25/55/176392555.db2.gz GJMZAABKQFIFGM-SECBINFHSA-N 1 0 255.268 1.501 40 0 CDABRO CN(CC1CC[NH+](C)CC1)C(=O)NCCc1ccco1 ZINC000078441076 177342012 /nfs/dbraw/zinc/34/20/12/177342012.db2.gz WKEGNNHXPCTOQC-UHFFFAOYSA-N 1 0 279.384 1.805 40 0 CDABRO C[N@H+](CCO)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391651 177475516 /nfs/dbraw/zinc/47/55/16/177475516.db2.gz SKUMVDDGCQFKLN-UHFFFAOYSA-N 1 0 292.379 1.712 40 0 CDABRO COc1cccc2c(N3CC[NH2+]CC3)cc(C)nc12 ZINC000032500241 274150122 /nfs/dbraw/zinc/15/01/22/274150122.db2.gz GUKGEUKOTGPFQT-UHFFFAOYSA-N 1 0 257.337 1.961 40 0 CDABRO CC(=O)N(C(C)C)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079418065 277956347 /nfs/dbraw/zinc/95/63/47/277956347.db2.gz BLVZRGWIGXNXEM-ILXRZTDVSA-N 1 0 297.443 1.654 40 0 CDABRO COc1ncccc1C[N@@H+]1CCC[C@]2(CCC(=O)N2C)C1 ZINC000096071167 278094712 /nfs/dbraw/zinc/09/47/12/278094712.db2.gz XDVMPORUBNVOPR-INIZCTEOSA-N 1 0 289.379 1.677 40 0 CDABRO CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC[NH3+] ZINC000079408319 278433873 /nfs/dbraw/zinc/43/38/73/278433873.db2.gz ZCZXZELMPGESOL-LLVKDONJSA-N 1 0 257.378 1.324 40 0 CDABRO CCN1CCC2(CC[NH+](CC3CCOCC3)CC2)C1=O ZINC000096046757 279263353 /nfs/dbraw/zinc/26/33/53/279263353.db2.gz NRCDHZDTWRFIOX-UHFFFAOYSA-N 1 0 280.412 1.747 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCC(C)(C)c1ccccc1 ZINC001548448210 969432405 /nfs/dbraw/zinc/43/24/05/969432405.db2.gz VKXFKJLRRCAKBV-LSDHHAIUSA-N 1 0 290.407 1.847 40 0 CDABRO c1coc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1 ZINC000096053980 185075629 /nfs/dbraw/zinc/07/56/29/185075629.db2.gz SGMISRRRSGHPNK-STQMWFEESA-N 1 0 270.336 1.638 40 0 CDABRO c1cnn(Cc2cnc3n2CC[N@@H+](CC2CC2)C3)c1 ZINC000096061821 185082974 /nfs/dbraw/zinc/08/29/74/185082974.db2.gz RELIYLGUBXXUMS-UHFFFAOYSA-N 1 0 257.341 1.354 40 0 CDABRO C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC000096066337 185084583 /nfs/dbraw/zinc/08/45/83/185084583.db2.gz WHBGVCYCDFYRCR-HZSPNIEDSA-N 1 0 278.352 1.253 40 0 CDABRO Cc1cc(C(=O)N2CCC3(CC[N@@H+]3CC3CC3)CC2)[nH]n1 ZINC000096077984 185088955 /nfs/dbraw/zinc/08/89/55/185088955.db2.gz PZTHZZALAVISSW-UHFFFAOYSA-N 1 0 288.395 1.809 40 0 CDABRO CN1CCN(C)C2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000096077115 185089801 /nfs/dbraw/zinc/08/98/01/185089801.db2.gz PZQBWGDYJRJCMW-UHFFFAOYSA-N 1 0 277.368 1.018 40 0 CDABRO COCC[N@@H+]1CC[C@@]2(CCN2Cc2csc(C)n2)C1 ZINC000096076023 185090034 /nfs/dbraw/zinc/09/00/34/185090034.db2.gz CAFIRKANMXYOFA-CQSZACIVSA-N 1 0 281.425 1.748 40 0 CDABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)N(C)C)[C@H]2C ZINC000096087586 185093964 /nfs/dbraw/zinc/09/39/64/185093964.db2.gz GLQQSWBMDPCPHT-LBPRGKRZSA-N 1 0 293.415 1.782 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1ccoc1)CC[C@H]2OC ZINC000096108515 185099643 /nfs/dbraw/zinc/09/96/43/185099643.db2.gz CUBYISHTVMIHGF-RRFJBIMHSA-N 1 0 264.369 1.821 40 0 CDABRO CC(C)C[N@@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099266 342212270 /nfs/dbraw/zinc/21/22/70/342212270.db2.gz AAOWIDOTTRSULI-OAHLLOKOSA-N 1 0 274.368 1.561 40 0 CDABRO CC(=O)N1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000585112574 342213526 /nfs/dbraw/zinc/21/35/26/342213526.db2.gz TUSRABMBRBXZEG-AWEZNQCLSA-N 1 0 262.357 1.272 40 0 CDABRO Cn1ccnc1-c1cnc(CC2CC[NH2+]CC2)cn1 ZINC000585178835 342232719 /nfs/dbraw/zinc/23/27/19/342232719.db2.gz KVLJHDHJIGDEPP-UHFFFAOYSA-N 1 0 257.341 1.419 40 0 CDABRO CN(C)C(=O)CC[C@]1(O)CCC[N@H+](Cc2ccccn2)C1 ZINC000585276057 342256187 /nfs/dbraw/zinc/25/61/87/342256187.db2.gz LNUSZTUXVWPUNO-MRXNPFEDSA-N 1 0 291.395 1.277 40 0 CDABRO O[C@@H]1COC[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)[C@@H]1O ZINC000585285421 342258638 /nfs/dbraw/zinc/25/86/38/342258638.db2.gz CFZWLQHTLCPGEK-OAGGEKHMSA-N 1 0 291.391 1.209 40 0 CDABRO CC1(C)C[N@H+](C[C@H](O)Cn2cccn2)[C@@H]1[C@@H]1CCCO1 ZINC000329856619 362073523 /nfs/dbraw/zinc/07/35/23/362073523.db2.gz UWQIHDXGDOXTNC-MELADBBJSA-N 1 0 279.384 1.133 40 0 CDABRO CCCNC(=[NH2+])NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000599389316 344038364 /nfs/dbraw/zinc/03/83/64/344038364.db2.gz RPVXWWBENWSEFO-UHFFFAOYSA-N 1 0 283.397 1.825 40 0 CDABRO C[NH+](C)Cc1nccnc1C1CCN(c2ncccn2)CC1 ZINC000257255405 362580376 /nfs/dbraw/zinc/58/03/76/362580376.db2.gz KHIOYCUNALYNSA-UHFFFAOYSA-N 1 0 298.394 1.712 40 0 CDABRO CC(C)OC(=O)c1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000225486699 136585170 /nfs/dbraw/zinc/58/51/70/136585170.db2.gz BHDOOKRWIBGTLD-UHFFFAOYSA-N 1 0 277.368 1.586 40 0 CDABRO CC[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000002699726 355978922 /nfs/dbraw/zinc/97/89/22/355978922.db2.gz DBKOPMBQVCNBGL-MNOVXSKESA-N 1 0 273.760 1.440 40 0 CDABRO CC(C)(C)[NH2+]C[C@H](O)c1ccc(O)c(NC=O)c1 ZINC000001869833 355953514 /nfs/dbraw/zinc/95/35/14/355953514.db2.gz BYJVBDSWJLABLE-LBPRGKRZSA-N 1 0 252.314 1.382 40 0 CDABRO O=c1ccc(-c2cccs2)nn1C[C@H]1CCC[NH2+]1 ZINC000012183904 356290558 /nfs/dbraw/zinc/29/05/58/356290558.db2.gz SSZIEFKWYROBSO-SNVBAGLBSA-N 1 0 261.350 1.724 40 0 CDABRO CC1=NNC(=[NH2+])Nc2c3ccccc3n(C)c(=O)c21 ZINC000019202352 356476456 /nfs/dbraw/zinc/47/64/56/356476456.db2.gz GLWUJOUHWJHKJH-UHFFFAOYSA-N 1 0 255.281 1.212 40 0 CDABRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000019588526 356492369 /nfs/dbraw/zinc/49/23/69/356492369.db2.gz VDLFJRDBVJXOMF-MRXNPFEDSA-N 1 0 298.390 1.755 40 0 CDABRO O=C(NCc1ccccc1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000034418188 356813205 /nfs/dbraw/zinc/81/32/05/356813205.db2.gz JNBHWETXIFZBSB-UHFFFAOYSA-N 1 0 273.336 1.201 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391326 356987909 /nfs/dbraw/zinc/98/79/09/356987909.db2.gz ZDGXSFIRLVNPKM-JQWIXIFHSA-N 1 0 297.399 1.334 40 0 CDABRO CC(C)(C)OC(=O)N1CCC(COCC[NH3+])CC1 ZINC000079390640 356988540 /nfs/dbraw/zinc/98/85/40/356988540.db2.gz NSIVVSSAGPKOHX-UHFFFAOYSA-N 1 0 258.362 1.609 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@H]1CCN(CC[NH3+])C1)C1CC1 ZINC000079408599 356992539 /nfs/dbraw/zinc/99/25/39/356992539.db2.gz XVJZCULGXLAITO-LBPRGKRZSA-N 1 0 283.416 1.667 40 0 CDABRO [NH3+]CCN(Cc1ccc(Br)nc1)C1CC1 ZINC000079421577 356996636 /nfs/dbraw/zinc/99/66/36/356996636.db2.gz DBUCPOOGROYTKS-UHFFFAOYSA-N 1 0 270.174 1.767 40 0 CDABRO C[C@]12CCCC[C@@]1(O)N(O)C1=C(CCCC1)[N+]2=O ZINC000013738990 357281345 /nfs/dbraw/zinc/28/13/45/357281345.db2.gz RSURCJPOXVTFIU-STQMWFEESA-N 1 0 252.314 1.498 40 0 CDABRO [NH3+]C1CCN(c2nccn(-c3ccc(F)cc3)c2=O)CC1 ZINC000096530564 357524381 /nfs/dbraw/zinc/52/43/81/357524381.db2.gz IHDOSMBYSALORX-UHFFFAOYSA-N 1 0 288.326 1.299 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2cccc(N3CCOCC3)n2)C1 ZINC000072386617 357832274 /nfs/dbraw/zinc/83/22/74/357832274.db2.gz UPSYWVAMGPCXFM-CYBMUJFWSA-N 1 0 261.369 1.727 40 0 CDABRO [NH3+][C@@H]1COC[C@@H]1Nc1ccc(Br)cc1 ZINC000218677652 358039315 /nfs/dbraw/zinc/03/93/15/358039315.db2.gz IILXTQZNDGXSNQ-ZJUUUORDSA-N 1 0 257.131 1.587 40 0 CDABRO COC[C@H]1C[N@H+](C)C2(CN(C(=O)c3ccc(C)cn3)C2)C1 ZINC000585093944 358098991 /nfs/dbraw/zinc/09/89/91/358098991.db2.gz RQRFSCRROXCTEL-CYBMUJFWSA-N 1 0 289.379 1.183 40 0 CDABRO O=C(CC1CC1)N1CC2(C1)C[C@H](CO)C[N@@H+]2CC1CC1 ZINC000585093862 358099040 /nfs/dbraw/zinc/09/90/40/358099040.db2.gz LIEBSLMFXPAFBZ-AWEZNQCLSA-N 1 0 278.396 1.092 40 0 CDABRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000228963290 358105010 /nfs/dbraw/zinc/10/50/10/358105010.db2.gz KTLDKNRZXAAJQR-LBPRGKRZSA-N 1 0 279.336 1.699 40 0 CDABRO COc1ccccc1CNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082307447 358157998 /nfs/dbraw/zinc/15/79/98/358157998.db2.gz JXERCUSNTHJJCM-ZDUSSCGKSA-N 1 0 262.353 1.653 40 0 CDABRO CNC(=O)N1CC[C@@H](C(F)(F)F)C2(CC[NH2+]CC2)C1 ZINC000503812003 283344657 /nfs/dbraw/zinc/34/46/57/283344657.db2.gz GOXVIGKJRRQRLX-SECBINFHSA-N 1 0 279.306 1.580 40 0 CDABRO CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](CC1CC1)C2 ZINC000096047432 358706451 /nfs/dbraw/zinc/70/64/51/358706451.db2.gz JHPPIUJQKDESQL-AWEZNQCLSA-N 1 0 286.441 1.677 40 0 CDABRO CCO[C@H]1C[N@H+](Cc2ccncc2)[C@@H]2CCCO[C@@H]21 ZINC000096057439 358707080 /nfs/dbraw/zinc/70/70/80/358707080.db2.gz RCMRVQQRDQTCCH-ILXRZTDVSA-N 1 0 262.353 1.850 40 0 CDABRO CN(C)C(=O)N1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000096161067 358711108 /nfs/dbraw/zinc/71/11/08/358711108.db2.gz HUTHJUABTAHUMJ-UHFFFAOYSA-N 1 0 277.343 1.949 40 0 CDABRO CN(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096161517 358711156 /nfs/dbraw/zinc/71/11/56/358711156.db2.gz DBIORHHRQOGLTO-OKILXGFUSA-N 1 0 274.368 1.127 40 0 CDABRO CO[C@@H]1CC[N@H+](Cc2cnn(C)c2)[C@H]1Cc1cccnc1 ZINC000096200134 358718392 /nfs/dbraw/zinc/71/83/92/358718392.db2.gz LTANSOPCPJFPBJ-JKSUJKDBSA-N 1 0 286.379 1.647 40 0 CDABRO C[C@H]1C[N@H+](C)C[C@@]12COCCN(C(=O)c1cccs1)C2 ZINC000096202371 358719590 /nfs/dbraw/zinc/71/95/90/358719590.db2.gz QCEZKUUSIXVNHT-SWLSCSKDSA-N 1 0 294.420 1.788 40 0 CDABRO Cc1cc(CN2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)no1 ZINC000096209451 358721208 /nfs/dbraw/zinc/72/12/08/358721208.db2.gz CICLNWGVWSPITI-HUUCEWRRSA-N 1 0 279.384 1.668 40 0 CDABRO C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228727 358723523 /nfs/dbraw/zinc/72/35/23/358723523.db2.gz MOQYKUIQOPVYGD-HNNXBMFYSA-N 1 0 294.420 1.933 40 0 CDABRO C[N@@H+]1CCCCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096239828 358724416 /nfs/dbraw/zinc/72/44/16/358724416.db2.gz FVMABLISCZBYHL-UHFFFAOYSA-N 1 0 274.368 1.567 40 0 CDABRO CCOC(=O)c1cn(C)nc1COCC[NH+]1CCCCC1 ZINC000575440963 365003123 /nfs/dbraw/zinc/00/31/23/365003123.db2.gz VFXCKZSXKAOATQ-UHFFFAOYSA-N 1 0 295.383 1.599 40 0 CDABRO Cc1csc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1Cl ZINC000333257130 205157386 /nfs/dbraw/zinc/15/73/86/205157386.db2.gz ZNJMUXZCSXTKAM-VIFPVBQESA-N 1 0 288.800 1.818 40 0 CDABRO CC[NH+](CC)C[C@H]1CO[C@@H]2CN(c3ncc(F)cn3)C[C@H]12 ZINC000306126213 374968493 /nfs/dbraw/zinc/96/84/93/374968493.db2.gz DPRPIGWHHROKTE-IACUBPJLSA-N 1 0 294.374 1.409 40 0 CDABRO CN(CCC[NH3+])C(=O)Cc1cccc(Br)c1 ZINC000132808735 375599892 /nfs/dbraw/zinc/59/98/92/375599892.db2.gz YQGOZYIFQYFBBD-UHFFFAOYSA-N 1 0 285.185 1.799 40 0 CDABRO COC(=O)Cn1nc(C)c([C@H]2CCCCC[NH2+]2)c1C ZINC000217459474 375648868 /nfs/dbraw/zinc/64/88/68/375648868.db2.gz IQRZJNDQOQZQPW-GFCCVEGCSA-N 1 0 265.357 1.878 40 0 CDABRO CCOCC[N@@H+]1CCC[C@@H](Cc2nccnc2NC)C1 ZINC000257229171 190016339 /nfs/dbraw/zinc/01/63/39/190016339.db2.gz FWYTWIHHHYOQJT-ZDUSSCGKSA-N 1 0 278.400 1.809 40 0 CDABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2cn[nH]c2)C1 ZINC000257256677 190021267 /nfs/dbraw/zinc/02/12/67/190021267.db2.gz KMLLXLWXVLHALP-LBPRGKRZSA-N 1 0 287.367 1.693 40 0 CDABRO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000257259121 190021325 /nfs/dbraw/zinc/02/13/25/190021325.db2.gz KWXIRPNIVPWSJW-CYBMUJFWSA-N 1 0 271.368 1.963 40 0 CDABRO O=C(CCN1CCCC1=O)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257258224 190021678 /nfs/dbraw/zinc/02/16/78/190021678.db2.gz KSWZCTQOSLOGON-KGLIPLIRSA-N 1 0 293.411 1.132 40 0 CDABRO CC(C)n1nccc1C[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000257263378 190022302 /nfs/dbraw/zinc/02/23/02/190022302.db2.gz LPQBHQLSKPAQRJ-HNNXBMFYSA-N 1 0 293.411 1.970 40 0 CDABRO Cc1cc(C)nc(Nc2cc(C3C[NH2+]C3)nc(C)n2)n1 ZINC000257281136 190026507 /nfs/dbraw/zinc/02/65/07/190026507.db2.gz ONTWXEDUIDVJGE-UHFFFAOYSA-N 1 0 270.340 1.622 40 0 CDABRO Cn1cncc1-c1cncc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000257292855 190027416 /nfs/dbraw/zinc/02/74/16/190027416.db2.gz QNFKKYCZGUYVFR-NSHDSACASA-N 1 0 257.341 1.419 40 0 CDABRO C[NH+](C)Cc1ccc([C@H]2CCCN2S(C)(=O)=O)nc1 ZINC000257308405 190031102 /nfs/dbraw/zinc/03/11/02/190031102.db2.gz TWPMVYAEIPKIKL-CYBMUJFWSA-N 1 0 283.397 1.240 40 0 CDABRO CCN(C[C@H]1CCN(C(=O)C[NH3+])C1)C(=O)OC(C)(C)C ZINC000079409146 285088689 /nfs/dbraw/zinc/08/86/89/285088689.db2.gz PJHVGLQUBSSWKN-LLVKDONJSA-N 1 0 285.388 1.051 40 0 CDABRO COCCN1C[C@@H]2C[N@H+](Cc3ccc(C)s3)C[C@@H]2C1=O ZINC000096244982 256831381 /nfs/dbraw/zinc/83/13/81/256831381.db2.gz CMJFKWKJEMYLQI-JSGCOSHPSA-N 1 0 294.420 1.593 40 0 CDABRO CC(C)Oc1nc(N2CC[NH2+]CC2)nc2c1CCCC2 ZINC000001587057 390139703 /nfs/dbraw/zinc/13/97/03/390139703.db2.gz HGXAGBNGKFXRNE-UHFFFAOYSA-N 1 0 276.384 1.552 40 0 CDABRO CC[C@H]([C@H]([NH3+])c1ccc(OC)cc1)S(C)(=O)=O ZINC000096524920 390539555 /nfs/dbraw/zinc/53/95/55/390539555.db2.gz VTQUSULPHMQUGY-VXGBXAGGSA-N 1 0 257.355 1.518 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218553579 391091699 /nfs/dbraw/zinc/09/16/99/391091699.db2.gz PWSMPRDFWBEELT-SDDRHHMPSA-N 1 0 273.785 1.815 40 0 CDABRO CC[C@](C)(O)C[NH2+][C@@H]1[C@H](O)[C@]2(C)CC[C@H]1C2(C)C ZINC000245239332 391345290 /nfs/dbraw/zinc/34/52/90/391345290.db2.gz HVDIZGMTRLRDBQ-SQLGEJSKSA-N 1 0 255.402 1.923 40 0 CDABRO CCSc1ncc(C[NH2+]CCCN2CCOCC2)cn1 ZINC000062718358 391574688 /nfs/dbraw/zinc/57/46/88/391574688.db2.gz WPFVKODIMWQFTG-UHFFFAOYSA-N 1 0 296.440 1.401 40 0 CDABRO CN(C)C(=O)[C@@H]1CN(C)CC[N@@H+](C2CCCCC2)C1 ZINC000257340452 391649864 /nfs/dbraw/zinc/64/98/64/391649864.db2.gz ZGFKFMJTAAPYTP-CYBMUJFWSA-N 1 0 267.417 1.271 40 0 CDABRO CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]1[NH3+] ZINC000252514073 392797034 /nfs/dbraw/zinc/79/70/34/392797034.db2.gz BCAYKDOSAQCOBW-UTLUCORTSA-N 1 0 290.182 1.287 40 0 CDABRO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)NC2 ZINC000261507338 286257606 /nfs/dbraw/zinc/25/76/06/286257606.db2.gz HNQVUWSNUQOQCQ-UHFFFAOYSA-N 1 0 290.363 1.454 40 0 CDABRO COCC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000008469088 170336717 /nfs/dbraw/zinc/33/67/17/170336717.db2.gz OQRLRJTZYZXPTL-UHFFFAOYSA-N 1 0 255.314 1.448 40 0 CDABRO CO[C@H](C[NH2+][C@@H](C(N)=O)c1ccccc1)C(C)C ZINC000073410586 176470724 /nfs/dbraw/zinc/47/07/24/176470724.db2.gz ZGAWJFLUXPHQQZ-CHWSQXEVSA-N 1 0 250.342 1.474 40 0 CDABRO Cc1ccc(C)c(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000078264013 177329222 /nfs/dbraw/zinc/32/92/22/177329222.db2.gz XCGKOQSYPMCLRD-UHFFFAOYSA-N 1 0 275.396 1.281 40 0 CDABRO COc1ccc(/C=C/C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000078472868 177344475 /nfs/dbraw/zinc/34/44/75/177344475.db2.gz SSHZYXDFPXGTQN-VMPITWQZSA-N 1 0 274.364 1.919 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000095097548 279393042 /nfs/dbraw/zinc/39/30/42/279393042.db2.gz RNKKALXWIGYFSG-LURJTMIESA-N 1 0 289.198 1.743 40 0 CDABRO COc1ccc([C@@H]2C[NH2+][C@H]3CCCN(C(C)=O)[C@@H]23)cc1 ZINC000409412901 295225889 /nfs/dbraw/zinc/22/58/89/295225889.db2.gz UIPRDYMNHVODCQ-JYJNAYRXSA-N 1 0 274.364 1.762 40 0 CDABRO [NH3+]CCN1CCc2sc(Br)cc2C1 ZINC000095097555 295233260 /nfs/dbraw/zinc/23/32/60/295233260.db2.gz PGISXMKSPVGKSB-UHFFFAOYSA-N 1 0 261.188 1.827 40 0 CDABRO Cc1cc(N)nc([C@@]2(C)CCC[N@@H+]2C2CCOCC2)n1 ZINC000257203916 301330916 /nfs/dbraw/zinc/33/09/16/301330916.db2.gz ASEORVPFFWZQAR-OAHLLOKOSA-N 1 0 276.384 1.857 40 0 CDABRO CNC(=O)CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000068818224 524065009 /nfs/dbraw/zinc/06/50/09/524065009.db2.gz XGEQLZIQCGRKRF-LLVKDONJSA-N 1 0 252.333 1.873 40 0 CDABRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000028245650 678536592 /nfs/dbraw/zinc/53/65/92/678536592.db2.gz PQUCIVARBGKVFU-HNNXBMFYSA-N 1 0 289.379 1.556 40 0 CDABRO CN1OC2(CC1=O)CC[NH+](Cc1ccccn1)CC2 ZINC001549166750 968052675 /nfs/dbraw/zinc/05/26/75/968052675.db2.gz HOXIYHKUQBRUMJ-UHFFFAOYSA-N 1 0 261.325 1.210 40 0 CDABRO Cn1cc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)cn1 ZINC000096110686 342451655 /nfs/dbraw/zinc/45/16/55/342451655.db2.gz NCAMOZYNKFWSLB-HZPDHXFCSA-N 1 0 290.411 1.105 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000157699923 342010326 /nfs/dbraw/zinc/01/03/26/342010326.db2.gz HYTXABJPLACYMJ-GRYCIOLGSA-N 1 0 272.414 1.094 40 0 CDABRO Cc1cccc(CN2C[C@@H]([NH+](C)C)[C@H]3OCCC[C@H]3C2)n1 ZINC000096040581 185068948 /nfs/dbraw/zinc/06/89/48/185068948.db2.gz ONHMQJTYYIRPIO-UAGQMJEPSA-N 1 0 289.423 1.931 40 0 CDABRO O=C(c1ccco1)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC000096071621 185086277 /nfs/dbraw/zinc/08/62/77/185086277.db2.gz XEGPTIOLYAWLKI-HNNXBMFYSA-N 1 0 278.352 1.200 40 0 CDABRO CCOCC(=O)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096070938 185086698 /nfs/dbraw/zinc/08/66/98/185086698.db2.gz LPDGEMOLYHKYAO-UHFFFAOYSA-N 1 0 294.420 1.819 40 0 CDABRO O=C(Nc1cccnc1)c1nc2c(s1)CC[NH2+]CC2 ZINC000096146916 185106891 /nfs/dbraw/zinc/10/68/91/185106891.db2.gz DPVFMCYLMBWDFN-UHFFFAOYSA-N 1 0 274.349 1.479 40 0 CDABRO COC[C@]1(CC(N)=O)CCC[N@@H+]1Cc1ccccc1F ZINC000585275250 342256159 /nfs/dbraw/zinc/25/61/59/342256159.db2.gz BBKQCCGVJZUCJX-OAHLLOKOSA-N 1 0 280.343 1.682 40 0 CDABRO CCc1ncc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)cn1 ZINC000585285311 342258592 /nfs/dbraw/zinc/25/85/92/342258592.db2.gz XJGKXFWHAAWYCR-OAHLLOKOSA-N 1 0 275.352 1.711 40 0 CDABRO CCCCc1ccc(C[NH2+]C[C@@H]2COC[C@@H](O)[C@H]2O)cc1 ZINC000585287038 342258614 /nfs/dbraw/zinc/25/86/14/342258614.db2.gz RFYBWBUKJXCMOV-ZACQAIPSSA-N 1 0 293.407 1.487 40 0 CDABRO CN1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000314314001 344911671 /nfs/dbraw/zinc/91/16/71/344911671.db2.gz MOGVBIOSSDMYCC-LBPRGKRZSA-N 1 0 294.374 1.372 40 0 CDABRO COCC[N@@H+]1CC[C@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000107225741 186163255 /nfs/dbraw/zinc/16/32/55/186163255.db2.gz BARYWAMDNKJXDT-CVEARBPZSA-N 1 0 277.364 1.945 40 0 CDABRO CC[NH+](CC)C[C@H](O)Cn1cnc2c1ncnc2SC ZINC000001704407 355948702 /nfs/dbraw/zinc/94/87/02/355948702.db2.gz ISSMLRUIZPSBPE-JTQLQIEISA-N 1 0 295.412 1.251 40 0 CDABRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1O ZINC000004213841 356022123 /nfs/dbraw/zinc/02/21/23/356022123.db2.gz HPSMMIJTHMWCGC-UHFFFAOYSA-N 1 0 285.775 1.699 40 0 in-vitro CDABRO CN(CCc1ccccc1)C(=O)[C@H]1C[NH2+]Cc2c[nH]nc21 ZINC000019701815 356496181 /nfs/dbraw/zinc/49/61/81/356496181.db2.gz STWMARMCEVRUAT-AWEZNQCLSA-N 1 0 284.363 1.298 40 0 CDABRO [NH3+]C1CCN(c2nccn(-c3cccc(F)c3)c2=O)CC1 ZINC000096530561 357524950 /nfs/dbraw/zinc/52/49/50/357524950.db2.gz GYKQDOBTRGBUGZ-UHFFFAOYSA-N 1 0 288.326 1.299 40 0 CDABRO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]cn3)C2=O)cc1 ZINC000017024527 357617627 /nfs/dbraw/zinc/61/76/27/357617627.db2.gz TTWFLOZHCSYQOB-AWEZNQCLSA-N 1 0 298.346 1.182 40 0 CDABRO C[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000074861081 357928831 /nfs/dbraw/zinc/92/88/31/357928831.db2.gz ZNPZHQJMSFXRBY-UHFFFAOYSA-N 1 0 286.372 1.339 40 0 CDABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000082332427 358160841 /nfs/dbraw/zinc/16/08/41/358160841.db2.gz PQTPSLOYVOZHKQ-NSHDSACASA-N 1 0 278.352 1.984 40 0 CDABRO COC[C@H]1Cn2ccnc2CN(C(=O)N2CCCC2)C1 ZINC000096187785 358715178 /nfs/dbraw/zinc/71/51/78/358715178.db2.gz CBLIPDKVCUMMCS-LBPRGKRZSA-N 1 0 278.356 1.177 40 0 CDABRO CCC(CC)C[NH2+]C[C@H]1COCc2c(C)nnn2C1 ZINC000096199373 358717504 /nfs/dbraw/zinc/71/75/04/358717504.db2.gz MOELXRIUIJCRQO-CYBMUJFWSA-N 1 0 266.389 1.759 40 0 CDABRO COCC[N@@H+]1CCC2(CN(Cc3ccc(OC)cc3)C2)C1 ZINC000096202487 358719380 /nfs/dbraw/zinc/71/93/80/358719380.db2.gz IJNUODPWXLGVMM-UHFFFAOYSA-N 1 0 290.407 1.849 40 0 CDABRO COC[C@H]1C(=O)NCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096208128 358720427 /nfs/dbraw/zinc/72/04/27/358720427.db2.gz AFLTYXRYZDIBLA-AWEZNQCLSA-N 1 0 289.379 1.056 40 0 CDABRO CS(=O)(=O)N1CCC[C@@]12CCCN(Cc1ccoc1)C2 ZINC000096215004 358721501 /nfs/dbraw/zinc/72/15/01/358721501.db2.gz SONYKKZEMFEPHR-CQSZACIVSA-N 1 0 298.408 1.670 40 0 CDABRO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3ccco3)C[C@H]2O1)N1CCC1 ZINC000096219658 358722525 /nfs/dbraw/zinc/72/25/25/358722525.db2.gz YUVWYTMIBFXKAD-NWANDNLSSA-N 1 0 290.363 1.491 40 0 CDABRO CN1CCN(C)C2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000096230016 358724079 /nfs/dbraw/zinc/72/40/79/358724079.db2.gz RCZWGZLWKSQICV-UHFFFAOYSA-N 1 0 293.436 1.487 40 0 CDABRO CCC[N@@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccco3)CC[C@@H]21 ZINC000096250293 358726212 /nfs/dbraw/zinc/72/62/12/358726212.db2.gz DPKWKMFMBGRXIX-VNHYZAJKSA-N 1 0 292.379 1.899 40 0 CDABRO CSc1nc(Cl)cc(N2CC[NH2+]C[C@H]2C)n1 ZINC000072203127 359048225 /nfs/dbraw/zinc/04/82/25/359048225.db2.gz JECOHUSHZFYSKH-SSDOTTSWSA-N 1 0 258.778 1.650 40 0 CDABRO COc1cc(OC)cc(-c2nc(SCC[NH3+])n[nH]2)c1 ZINC000224978378 359541404 /nfs/dbraw/zinc/54/14/04/359541404.db2.gz ZMZABNIPSHRQIR-UHFFFAOYSA-N 1 0 280.353 1.540 40 0 CDABRO Cc1cc(NC[C@H]2CCCCS2(=O)=O)cc[nH+]1 ZINC000330093776 202610723 /nfs/dbraw/zinc/61/07/23/202610723.db2.gz RYLANWGMQZMQGX-GFCCVEGCSA-N 1 0 254.355 1.191 40 0 CDABRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000075837441 366889818 /nfs/dbraw/zinc/88/98/18/366889818.db2.gz VMDZXINKFCTKOC-QXSJWSMHSA-N 1 0 282.428 1.333 40 0 CDABRO CCCn1nccc1C[NH2+]CCCN1CCOCC1 ZINC000159984919 372357046 /nfs/dbraw/zinc/35/70/46/372357046.db2.gz VYYKCBGTNSEDMA-UHFFFAOYSA-N 1 0 266.389 1.105 40 0 CDABRO CC(C)COCC[NH+]1CCC(Oc2cnccn2)CC1 ZINC000225724047 373733136 /nfs/dbraw/zinc/73/31/36/373733136.db2.gz QDEOGEPTZMVRIM-UHFFFAOYSA-N 1 0 279.384 1.992 40 0 CDABRO O=S(=O)(C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000011897079 374469825 /nfs/dbraw/zinc/46/98/25/374469825.db2.gz QPHGNMRGXPWJPO-SNVBAGLBSA-N 1 0 259.758 1.866 40 0 CDABRO Cc1ccc2c(n1)N(Cc1ccncc1)CC[NH2+]C2 ZINC000306137281 374970836 /nfs/dbraw/zinc/97/08/36/374970836.db2.gz QRQMMTXJHDGMNO-UHFFFAOYSA-N 1 0 254.337 1.895 40 0 CDABRO CCOCCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256050308 190003270 /nfs/dbraw/zinc/00/32/70/190003270.db2.gz DOONIOQCKZTHSD-UHFFFAOYSA-N 1 0 265.279 1.962 40 0 CDABRO Cc1nn(C)cc1C[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256052050 190003681 /nfs/dbraw/zinc/00/36/81/190003681.db2.gz LSOSXHHZISRMSK-UHFFFAOYSA-N 1 0 283.326 1.788 40 0 CDABRO CCn1ncc(C)c1C[NH2+]CCCN1CCOCC1 ZINC000256051340 190003707 /nfs/dbraw/zinc/00/37/07/190003707.db2.gz ITFPANJFQHRHMX-UHFFFAOYSA-N 1 0 266.389 1.023 40 0 CDABRO [NH3+]CCc1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000058021814 375637631 /nfs/dbraw/zinc/63/76/31/375637631.db2.gz CXDQCIFHBRAJFU-UHFFFAOYSA-N 1 0 273.727 1.946 40 0 CDABRO Cc1nccc([C@@H]2CCC[N@H+](CC3(O)CCOCC3)C2)n1 ZINC000257203913 190011237 /nfs/dbraw/zinc/01/12/37/190011237.db2.gz ASDXKTGUXIWXOM-CQSZACIVSA-N 1 0 291.395 1.506 40 0 CDABRO Cc1cc(C[C@H]2COCC[N@@H+](C3CCOCC3)C2)ncn1 ZINC000257207619 190012526 /nfs/dbraw/zinc/01/25/26/190012526.db2.gz BIMXAPANGKSOSZ-CQSZACIVSA-N 1 0 291.395 1.455 40 0 CDABRO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[NH2+]C2)c1 ZINC000257226863 190015608 /nfs/dbraw/zinc/01/56/08/190015608.db2.gz FMMKJRCPNYDRKM-ZDUSSCGKSA-N 1 0 282.347 1.710 40 0 CDABRO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cncn3C)C2)n1 ZINC000257219012 190014071 /nfs/dbraw/zinc/01/40/71/190014071.db2.gz DFGKLSCYRUNGON-GFCCVEGCSA-N 1 0 259.357 1.831 40 0 CDABRO Cn1cc(C[N@@H+]2C[C@H](O)[C@]3(CCCO3)C2)c2ccccc21 ZINC000257220075 190014413 /nfs/dbraw/zinc/01/44/13/190014413.db2.gz DJKYBYHQLUANFB-IRXDYDNUSA-N 1 0 286.375 1.904 40 0 CDABRO C[C@]12CCC[NH2+][C@@H]1CCCN2C(=O)Cn1ccnc1 ZINC000257239559 190017699 /nfs/dbraw/zinc/01/76/99/190017699.db2.gz HPWCPVMMKIAYSP-OCCSQVGLSA-N 1 0 262.357 1.016 40 0 CDABRO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2cccs2)CC[C@@H]1O ZINC000257240412 190018780 /nfs/dbraw/zinc/01/87/80/190018780.db2.gz HTISLWWKENPWRK-KBPBESRZSA-N 1 0 296.436 1.846 40 0 CDABRO c1nc2ncccn2c1-c1ccc(C[C@H]2CC[NH2+]C2)nn1 ZINC000257249590 190020125 /nfs/dbraw/zinc/02/01/25/190020125.db2.gz JIZQGSYJXFFXDH-LLVKDONJSA-N 1 0 280.335 1.338 40 0 CDABRO CNC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000257255126 190021172 /nfs/dbraw/zinc/02/11/72/190021172.db2.gz KGELZUVDLODOAC-NSHDSACASA-N 1 0 274.324 1.352 40 0 CDABRO CCCn1nccc1-c1cc(C[C@H]2CC[NH2+]C2)ncn1 ZINC000257258261 190021883 /nfs/dbraw/zinc/02/18/83/190021883.db2.gz KTALSLIBLSSYEO-GFCCVEGCSA-N 1 0 271.368 1.902 40 0 CDABRO Cc1nc(C2CCN(S(C)(=O)=O)CC2)cc2c[nH+]cn21 ZINC000257261521 190022524 /nfs/dbraw/zinc/02/25/24/190022524.db2.gz LHRZAVBTCGACHH-UHFFFAOYSA-N 1 0 294.380 1.177 40 0 CDABRO CCn1nccc1-c1cncc(C[C@H]2CC[NH2+]C2)n1 ZINC000257275013 190024712 /nfs/dbraw/zinc/02/47/12/190024712.db2.gz NNPNXJUZDRFDBY-LLVKDONJSA-N 1 0 257.341 1.512 40 0 CDABRO Cc1noc(C)c1-c1cccc(C(=O)NCC[NH+](C)C)n1 ZINC000257307583 190031443 /nfs/dbraw/zinc/03/14/43/190031443.db2.gz SZHVSCKKJPXAHY-UHFFFAOYSA-N 1 0 288.351 1.645 40 0 CDABRO CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2(C[NH3+])COC)cc1 ZINC000218451738 375838640 /nfs/dbraw/zinc/83/86/40/375838640.db2.gz FOVIHOKEFKTLNW-ILXRZTDVSA-N 1 0 297.420 1.351 40 0 CDABRO CN(C(=O)c1ccsc1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257306875 190031145 /nfs/dbraw/zinc/03/11/45/190031145.db2.gz SWJFPDHEKPFEDW-MGPQQGTHSA-N 1 0 294.420 1.808 40 0 CDABRO COC(=O)c1ccc2c(c1)[C@@]1(CCC2)COCC[NH2+]1 ZINC000306145770 284574946 /nfs/dbraw/zinc/57/49/46/284574946.db2.gz POLIFXODENXJIE-OAHLLOKOSA-N 1 0 261.321 1.625 40 0 CDABRO CCC[NH2+]C1(Cc2cc(CN(C)C)on2)COC1 ZINC000067897810 377287047 /nfs/dbraw/zinc/28/70/47/377287047.db2.gz OXJXIVBARFUSEW-UHFFFAOYSA-N 1 0 253.346 1.047 40 0 biogenic,in-vitro CDABRO O=C(c1cnccn1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062664419 284750367 /nfs/dbraw/zinc/75/03/67/284750367.db2.gz XVKQRRFIXHKJOZ-CQSZACIVSA-N 1 0 268.320 1.263 40 0 CDABRO CCn1ncc(CN(C)C[C@@H]2CCC[NH2+]C2)c1C ZINC000096523668 256732475 /nfs/dbraw/zinc/73/24/75/256732475.db2.gz CMNZCURHQREAKY-CYBMUJFWSA-N 1 0 250.390 1.643 40 0 CDABRO CC(=O)N1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216276 256710676 /nfs/dbraw/zinc/71/06/76/256710676.db2.gz RSBMVDBDABBPHB-AWEZNQCLSA-N 1 0 274.368 1.175 40 0 CDABRO Cc1nnn2c1COC[C@H](C[NH2+]Cc1ccc(C)cc1)C2 ZINC000096199313 256820165 /nfs/dbraw/zinc/82/01/65/256820165.db2.gz VCZSZHSRRYFTMA-OAHLLOKOSA-N 1 0 286.379 1.831 40 0 CDABRO O=C(C1CC=CC1)N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096161513 256813079 /nfs/dbraw/zinc/81/30/79/256813079.db2.gz XYPKVRCPLFQSHB-CALCHBBNSA-N 1 0 297.402 1.938 40 0 CDABRO COc1cc(COC[C@H](O)C[NH3+])cc(Cl)c1OC ZINC000095096247 184943874 /nfs/dbraw/zinc/94/38/74/184943874.db2.gz VXWKUEYEARWKKD-SECBINFHSA-N 1 0 275.732 1.193 40 0 CDABRO O=C1COC2(CC[NH2+]CC2)CN1CCc1cccs1 ZINC000096531543 390541668 /nfs/dbraw/zinc/54/16/68/390541668.db2.gz BAYBYBQAMGEFEL-UHFFFAOYSA-N 1 0 280.393 1.272 40 0 CDABRO C[NH+]1CCN(c2ccc([C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000072216534 390621324 /nfs/dbraw/zinc/62/13/24/390621324.db2.gz QDJDBDQKADVQHC-AWEZNQCLSA-N 1 0 260.385 1.648 40 0 CDABRO CC(=O)N1CCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216156 390621361 /nfs/dbraw/zinc/62/13/61/390621361.db2.gz NCLJNBPURGSVCK-AWEZNQCLSA-N 1 0 275.352 1.602 40 0 CDABRO O=C(C[N@@H+]1CCCCC[C@H]1c1ccco1)N1CCNC1=O ZINC000076804175 390946283 /nfs/dbraw/zinc/94/62/83/390946283.db2.gz KFVICTNTLDFOBW-LBPRGKRZSA-N 1 0 291.351 1.749 40 0 CDABRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncnc2)C1 ZINC000332845714 390979976 /nfs/dbraw/zinc/97/99/76/390979976.db2.gz GRBFRFCPROXMFO-LSDHHAIUSA-N 1 0 282.347 1.304 40 0 CDABRO CCNc1ncc(C[NH2+]C[C@H]2CCCN2CC)cn1 ZINC000062718433 391575554 /nfs/dbraw/zinc/57/55/54/391575554.db2.gz FTJVUOKDJGNQRH-CYBMUJFWSA-N 1 0 263.389 1.482 40 0 CDABRO C[N@@H+]1CCN(c2ccncn2)C[C@@H]1c1ccccc1 ZINC000257205635 391648555 /nfs/dbraw/zinc/64/85/55/391648555.db2.gz AZYNYWUGHGIXGI-CQSZACIVSA-N 1 0 254.337 1.970 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000252515093 392797155 /nfs/dbraw/zinc/79/71/55/392797155.db2.gz GZGSBWKRRLBILB-HBNTYKKESA-N 1 0 259.758 1.425 40 0 CDABRO CC1(C)C[NH2+]CC[C@H]1NC(=O)COc1ccccc1 ZINC000261569593 140351181 /nfs/dbraw/zinc/35/11/81/140351181.db2.gz MXJVOMULBYYHIP-CYBMUJFWSA-N 1 0 262.353 1.570 40 0 CDABRO COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@H](C2)[N@@H+](C)CC[C@@]314 ZINC000003830598 169914209 /nfs/dbraw/zinc/91/42/09/169914209.db2.gz OROGSEYTTFOCAN-KIHUKQFUSA-N 1 0 299.370 1.501 40 0 CDABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]CCOC)cc2c1 ZINC000004861302 170032032 /nfs/dbraw/zinc/03/20/32/170032032.db2.gz LQYRZXBPRPBVQD-UHFFFAOYSA-N 1 0 276.336 1.663 40 0 CDABRO COCC[NH2+]Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004861299 170032156 /nfs/dbraw/zinc/03/21/56/170032156.db2.gz DYRWWPJQZSYCFU-UHFFFAOYSA-N 1 0 260.337 1.881 40 0 CDABRO CC[C@@H]1C[NH2+][C@@H](CCO)C[C@H]1C(=O)OC(C)(C)C ZINC000066055293 287231885 /nfs/dbraw/zinc/23/18/85/287231885.db2.gz XHAFNWJVGYDHPM-GRYCIOLGSA-N 1 0 257.374 1.715 40 0 CDABRO CCOc1ccc(CNCC[NH2+]C[C@@H](C)O)cc1OC ZINC000022075995 171352339 /nfs/dbraw/zinc/35/23/39/171352339.db2.gz NRKWVWVHSZLCHK-GFCCVEGCSA-N 1 0 282.384 1.154 40 0 CDABRO Cc1ccnn1CC(=O)N1CCC[N@H+](CC2CC2)CC1 ZINC000072254194 176350808 /nfs/dbraw/zinc/35/08/08/176350808.db2.gz NCJOSUZPPCEBHE-UHFFFAOYSA-N 1 0 276.384 1.136 40 0 CDABRO CN(C)C(=O)[C@@]1(CCCc2cccnc2)CCC[NH2+]C1 ZINC000072344212 176372795 /nfs/dbraw/zinc/37/27/95/176372795.db2.gz MEHYNTJVVFMLFY-INIZCTEOSA-N 1 0 275.396 1.862 40 0 CDABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2CCO)n1 ZINC000072355672 176375223 /nfs/dbraw/zinc/37/52/23/176375223.db2.gz JZGYFRDFGQTCKH-AWEZNQCLSA-N 1 0 286.379 1.959 40 0 CDABRO c1cnc(Nc2nccc([C@@H]3CCC[NH2+]C3)n2)cn1 ZINC000072354554 176375260 /nfs/dbraw/zinc/37/52/60/176375260.db2.gz NDNJIOZCXNAJNX-SNVBAGLBSA-N 1 0 256.313 1.477 40 0 CDABRO COCC[N@@H+]1CCC[C@H]1c1cc(CCC(N)=O)cc(C)n1 ZINC000072360458 176376730 /nfs/dbraw/zinc/37/67/30/176376730.db2.gz VHRBTPDXZXHSMB-HNNXBMFYSA-N 1 0 291.395 1.591 40 0 CDABRO CNc1cc(C2CC[NH+](CCOC)CC2)nc(C)n1 ZINC000072363735 176378400 /nfs/dbraw/zinc/37/84/00/176378400.db2.gz KVRZIUQVCNKOTL-UHFFFAOYSA-N 1 0 264.373 1.653 40 0 CDABRO COCCN(C)c1cc(C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072365220 176380824 /nfs/dbraw/zinc/38/08/24/176380824.db2.gz VRQWUJNXXYEBAL-ZDUSSCGKSA-N 1 0 278.400 1.677 40 0 CDABRO Cc1cc(C(=O)NCC(C)C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072369339 176384043 /nfs/dbraw/zinc/38/40/43/176384043.db2.gz HVPONFVGTHVKAU-ZDUSSCGKSA-N 1 0 290.411 1.980 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc2cccnc21 ZINC000072397658 176394963 /nfs/dbraw/zinc/39/49/63/176394963.db2.gz QOLXLKGUIRIETM-KBRIMQKVSA-N 1 0 297.402 1.874 40 0 CDABRO O[C@H](C[C@@H]1CCC[N@@H+]1CCn1cncn1)c1ccccc1 ZINC000076106971 176915363 /nfs/dbraw/zinc/91/53/63/176915363.db2.gz WRPKONRKGMSSNK-JKSUJKDBSA-N 1 0 286.379 1.866 40 0 CDABRO COc1ccc([C@H]2C[C@@H](C)[N@H+](CCS(C)(=O)=O)C2)cc1 ZINC000076393045 177014294 /nfs/dbraw/zinc/01/42/94/177014294.db2.gz WPLZMBYXNBJWHB-OCCSQVGLSA-N 1 0 297.420 1.918 40 0 CDABRO CCN(C[C@@H]1CCCN1C(=O)C[NH3+])C(=O)OC(C)(C)C ZINC000079409133 177481698 /nfs/dbraw/zinc/48/16/98/177481698.db2.gz PSYZRDGDVQGDGS-NSHDSACASA-N 1 0 285.388 1.193 40 0 CDABRO Cc1nc(C2CC[NH2+]CC2)cc(N2C[C@@H](C)OC2=O)n1 ZINC000257241751 274838450 /nfs/dbraw/zinc/83/84/50/274838450.db2.gz HZLZWENGAQZWHG-SECBINFHSA-N 1 0 276.340 1.597 40 0 CDABRO c1cnc2[nH]c([C@H]3CC[N@@H+](C4CCOCC4)C3)nc2c1 ZINC000049168810 275073715 /nfs/dbraw/zinc/07/37/15/275073715.db2.gz FKTNSTDKXYFAII-NSHDSACASA-N 1 0 272.352 1.926 40 0 biogenic,in-vitro CDABRO CC(C)(C)OC(=O)N1CCC[C@H]1CN(C(=O)C[NH3+])C1CC1 ZINC000079391138 278395079 /nfs/dbraw/zinc/39/50/79/278395079.db2.gz WTVJGNCNOYKARP-LBPRGKRZSA-N 1 0 297.399 1.336 40 0 CDABRO O=C(NCC[NH+]1CCCCC1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000076958640 279228219 /nfs/dbraw/zinc/22/82/19/279228219.db2.gz GVFWRPIUKRTPPW-HNNXBMFYSA-N 1 0 292.354 1.731 40 0 CDABRO CCc1cnc(N2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)nc1 ZINC000104798483 281471667 /nfs/dbraw/zinc/47/16/67/281471667.db2.gz GPPSFQGNZXONED-CQSZACIVSA-N 1 0 290.411 1.729 40 0 CDABRO C[C@H](O)C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC000096073084 290086029 /nfs/dbraw/zinc/08/60/29/290086029.db2.gz FMFLOJUJFIGFMW-JSGCOSHPSA-N 1 0 269.385 1.417 40 0 CDABRO CC(C)Oc1ccc(N2CC[C@H](C[NH3+])S2(=O)=O)cc1 ZINC000260772298 328068928 /nfs/dbraw/zinc/06/89/28/328068928.db2.gz NGTRSFOIXLXFIT-CYBMUJFWSA-N 1 0 284.381 1.341 40 0 CDABRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172240390 482497860 /nfs/dbraw/zinc/49/78/60/482497860.db2.gz URZDKIIIHARTFL-LPWJVIDDSA-N 1 0 252.358 1.297 40 0 CDABRO COc1cc2nc(N(C)C[C@H](C)[NH3+])nc(N)c2cc1OC ZINC000116862571 617314957 /nfs/dbraw/zinc/31/49/57/617314957.db2.gz FBRFWJRUZCTMPR-QMMMGPOBSA-N 1 0 291.355 1.013 40 0 CDABRO CCn1cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)nn1 ZINC000899880333 622502484 /nfs/dbraw/zinc/50/24/84/622502484.db2.gz QLEKEDHCDVNVSS-NSHDSACASA-N 1 0 256.300 1.919 40 0 CDABRO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(C)s3)C[C@@H]2N1C ZINC000096182482 342451635 /nfs/dbraw/zinc/45/16/35/342451635.db2.gz YTYXXVWYDPOLBU-BNOWGMLFSA-N 1 0 293.436 1.307 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000157700190 342010272 /nfs/dbraw/zinc/01/02/72/342010272.db2.gz HYTXABJPLACYMJ-WOPDTQHZSA-N 1 0 272.414 1.094 40 0 CDABRO COc1cccc(C[NH2+]C[C@@H]2OCCc3cn(C)nc32)c1 ZINC000096044280 185071777 /nfs/dbraw/zinc/07/17/77/185071777.db2.gz OFESWRDGPHPQKU-HNNXBMFYSA-N 1 0 287.363 1.832 40 0 CDABRO CN1CCC2(CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000096046716 185071969 /nfs/dbraw/zinc/07/19/69/185071969.db2.gz TZDHKQIOHOJIKS-UHFFFAOYSA-N 1 0 259.353 1.526 40 0 CDABRO O=C(c1ccoc1)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053812 185076326 /nfs/dbraw/zinc/07/63/26/185076326.db2.gz BVBUTKPZTQQPTJ-HUUCEWRRSA-N 1 0 297.358 1.879 40 0 CDABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCOCC2)N1CC1CC1 ZINC000096056558 185077966 /nfs/dbraw/zinc/07/79/66/185077966.db2.gz VAEKPKNQFFNOTO-HZPDHXFCSA-N 1 0 292.423 1.888 40 0 CDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](CC3CC3)C[C@H]21)NC1CC1 ZINC000096057284 185078135 /nfs/dbraw/zinc/07/81/35/185078135.db2.gz MFFKSAUTOQXXBY-NFAWXSAZSA-N 1 0 278.396 1.260 40 0 CDABRO C[C@H]1NC(=O)COC12CC[NH+](Cc1ccco1)CC2 ZINC000096062188 185082864 /nfs/dbraw/zinc/08/28/64/185082864.db2.gz ABCBUBRQDPQLRR-LLVKDONJSA-N 1 0 264.325 1.149 40 0 CDABRO C[C@@H]1NC(=O)COC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096070243 185086021 /nfs/dbraw/zinc/08/60/21/185086021.db2.gz JUOWZTLDLKRHAL-LBPRGKRZSA-N 1 0 292.354 1.695 40 0 CDABRO c1cc(CN2CCc3c(C[NH+]4CCCC4)[nH]nc3C2)ccn1 ZINC000096084108 185092875 /nfs/dbraw/zinc/09/28/75/185092875.db2.gz DLYYUBVTHJCREB-UHFFFAOYSA-N 1 0 297.406 1.959 40 0 CDABRO Cc1nnc([C@]23COC[C@H]2C[N@H+](Cc2cccs2)C3)o1 ZINC000096110103 185101415 /nfs/dbraw/zinc/10/14/15/185101415.db2.gz IBYYYTCVLXKRHW-BXUZGUMPSA-N 1 0 291.376 1.840 40 0 CDABRO CC1(C)COC(=O)N1c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000585178796 342232557 /nfs/dbraw/zinc/23/25/57/342232557.db2.gz GWEHDHGCVNACTF-SNVBAGLBSA-N 1 0 276.340 1.679 40 0 CDABRO [NH3+]CCC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585274874 342255979 /nfs/dbraw/zinc/25/59/79/342255979.db2.gz QAKMFGBUACIFSH-KBPBESRZSA-N 1 0 280.343 1.069 40 0 CDABRO C[N@H+]1Cc2cccn2C[C@H](C(=O)NCCc2ccncc2)C1 ZINC000248130483 362153142 /nfs/dbraw/zinc/15/31/42/362153142.db2.gz MZWASYCIULFPQA-OAHLLOKOSA-N 1 0 298.390 1.304 40 0 CDABRO [NH3+][C@H]1CCCN(c2nccn3nc(C4CC4)cc23)C1 ZINC000096516390 136521126 /nfs/dbraw/zinc/52/11/26/136521126.db2.gz UPXUSKHMLCPDQX-NSHDSACASA-N 1 0 257.341 1.534 40 0 CDABRO O=C(c1cc(F)cc(F)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320712 179956988 /nfs/dbraw/zinc/95/69/88/179956988.db2.gz CUKVQQADDQXDGQ-AOOOYVTPSA-N 1 0 252.264 1.256 40 0 CDABRO O=C([C@H]1C[N@H+](CC2CC2)[C@@H]2CCO[C@@H]21)N1CCCCO1 ZINC000108526357 186220732 /nfs/dbraw/zinc/22/07/32/186220732.db2.gz JLIFIEOOGMLUNI-BFHYXJOUSA-N 1 0 280.368 1.040 40 0 CDABRO C[NH+](C)[C@H]1CCOC2(CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC000108530592 186222420 /nfs/dbraw/zinc/22/24/20/186222420.db2.gz RZEHDLRMIKPHGR-KBPBESRZSA-N 1 0 296.411 1.125 40 0 CDABRO Fc1cccnc1N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC000108127321 283032112 /nfs/dbraw/zinc/03/21/12/283032112.db2.gz BCFBNHWZAYWJKH-CQSZACIVSA-N 1 0 265.332 1.427 40 0 CDABRO Cc1c(C[N@@H+]2CC[C@@H](C(=O)N3CCCCC3)C2)cnn1C ZINC000019745446 356499157 /nfs/dbraw/zinc/49/91/57/356499157.db2.gz OALOWQPLXYGZSR-CQSZACIVSA-N 1 0 290.411 1.563 40 0 CDABRO CCN(C(=O)OCc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079411529 356993115 /nfs/dbraw/zinc/99/31/15/356993115.db2.gz ZDTYGUASGOWIDV-OAHLLOKOSA-N 1 0 291.395 1.678 40 0 CDABRO O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)OCc1ccccc1 ZINC000079410904 356993213 /nfs/dbraw/zinc/99/32/13/356993213.db2.gz ONWVBSRIXBQHIJ-HNNXBMFYSA-N 1 0 292.379 1.617 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cncs1)C1CC1 ZINC000079422183 356996725 /nfs/dbraw/zinc/99/67/25/356996725.db2.gz DHKYORPGSRLYSW-NSHDSACASA-N 1 0 253.371 1.617 40 0 CDABRO NC(=[NH2+])[C@H]1CN(CCc2c[nH]c3ccccc23)C(=O)NC1=O ZINC000073274201 357874298 /nfs/dbraw/zinc/87/42/98/357874298.db2.gz VVXLBKKVKLHDQU-LLVKDONJSA-N 1 0 299.334 1.655 40 0 CDABRO C[NH+]1CCC(NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000074861056 357929109 /nfs/dbraw/zinc/92/91/09/357929109.db2.gz YETSFWBNXASDJC-UHFFFAOYSA-N 1 0 254.280 1.789 40 0 CDABRO Cn1cc(CN2CC[C@@H]([NH+](C)C)[C@@H]2Cc2ccncc2)cn1 ZINC000096200979 358718616 /nfs/dbraw/zinc/71/86/16/358718616.db2.gz SOTHLZQDOHOXJV-SJORKVTESA-N 1 0 299.422 1.562 40 0 CDABRO CC[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC000096244447 358724767 /nfs/dbraw/zinc/72/47/67/358724767.db2.gz IKYWVZIEWBTCAP-HNNXBMFYSA-N 1 0 276.384 1.345 40 0 CDABRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](CCO)CC2 ZINC000096261199 358729526 /nfs/dbraw/zinc/72/95/26/358729526.db2.gz YXDHNNXFCIOVGQ-OAHLLOKOSA-N 1 0 288.391 1.459 40 0 CDABRO CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096268681 358730542 /nfs/dbraw/zinc/73/05/42/358730542.db2.gz NNCQWGNIOGCEQZ-MRXNPFEDSA-N 1 0 273.380 1.916 40 0 CDABRO C[NH+](C)CCCNCC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000026440595 359421701 /nfs/dbraw/zinc/42/17/01/359421701.db2.gz HCBNJBQMOMQHLW-JJRVBVJISA-N 1 0 295.471 1.859 40 0 CDABRO COc1ccc(Cc2nnc(SCC[NH3+])[nH]2)cc1OC ZINC000224979021 359541123 /nfs/dbraw/zinc/54/11/23/359541123.db2.gz JVCXUPJHJUCVLK-UHFFFAOYSA-N 1 0 294.380 1.464 40 0 CDABRO CC[N@@H+]1CCC[C@@](O)(CN(C)Cc2ccc(C)o2)C1 ZINC000041124077 359685745 /nfs/dbraw/zinc/68/57/45/359685745.db2.gz OPZUSJLTPNRDMT-OAHLLOKOSA-N 1 0 266.385 1.867 40 0 CDABRO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000514289851 360122881 /nfs/dbraw/zinc/12/28/81/360122881.db2.gz PIPVXFXRBWRQJK-HIFRSBDPSA-N 1 0 272.348 1.756 40 0 biogenic,in-vitro CDABRO CSc1ccc(OCC[N@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000075752575 360359530 /nfs/dbraw/zinc/35/95/30/360359530.db2.gz YLDXFHCQJLUTIN-CQSZACIVSA-N 1 0 294.420 1.950 40 0 CDABRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCC(F)(F)F)C1 ZINC000074161590 360582987 /nfs/dbraw/zinc/58/29/87/360582987.db2.gz NCYMHJWWWMONMY-VIFPVBQESA-N 1 0 267.295 1.580 40 0 CDABRO O=C(NC[C@H]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000225450617 189752339 /nfs/dbraw/zinc/75/23/39/189752339.db2.gz DYNPSEBREBFIRM-SWLSCSKDSA-N 1 0 258.365 1.660 40 0 CDABRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cnn(C(F)F)c1 ZINC000638369086 369548233 /nfs/dbraw/zinc/54/82/33/369548233.db2.gz OQZQYJIGAYQHBZ-SNVBAGLBSA-N 1 0 284.310 1.683 40 0 CDABRO CCn1nc(C)c(C(=O)N[C@H]2CC[NH2+]C23CCC3)c1C ZINC000638501668 370357640 /nfs/dbraw/zinc/35/76/40/370357640.db2.gz HBAPJWGQYWVOTF-LBPRGKRZSA-N 1 0 276.384 1.534 40 0 CDABRO COCC[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000047893806 373980140 /nfs/dbraw/zinc/98/01/40/373980140.db2.gz ZVCBRQIEQPUHKP-UHFFFAOYSA-N 1 0 290.407 1.846 40 0 CDABRO COCC[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000049138619 373981105 /nfs/dbraw/zinc/98/11/05/373981105.db2.gz WVALLTUGVUKYQV-UHFFFAOYSA-N 1 0 280.343 1.666 40 0 CDABRO C[C@H](C[NH2+][C@]1(CO)CCOC1)c1ccc(F)cc1 ZINC000225480878 374494473 /nfs/dbraw/zinc/49/44/73/374494473.db2.gz IDLKHXRAEOPYAM-RISCZKNCSA-N 1 0 253.317 1.670 40 0 CDABRO C[N@@H+](CC(=O)NC1CCCCCCC1)C[C@@H](O)C1CC1 ZINC000079767859 374841036 /nfs/dbraw/zinc/84/10/36/374841036.db2.gz FYJCRXAETZJVBD-OAHLLOKOSA-N 1 0 282.428 1.918 40 0 CDABRO CCOCC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225561571 375164601 /nfs/dbraw/zinc/16/46/01/375164601.db2.gz QADYXFZACBCQPF-UHFFFAOYSA-N 1 0 284.400 1.030 40 0 CDABRO CN1CCC[N@H+](CCCCC2CCOCC2)CC1=O ZINC000225628884 375174391 /nfs/dbraw/zinc/17/43/91/375174391.db2.gz GRVBBXCCLIKALT-UHFFFAOYSA-N 1 0 268.401 1.747 40 0 CDABRO CC[C@H]1CN(c2ccc(F)cn2)CC[N@@H+]1CCOC ZINC000225819783 375213654 /nfs/dbraw/zinc/21/36/54/375213654.db2.gz CRMVTCLZXBXJTG-ZDUSSCGKSA-N 1 0 267.348 1.768 40 0 CDABRO OC[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000215723819 375285759 /nfs/dbraw/zinc/28/57/59/375285759.db2.gz ZSRDUHBUWUQNBM-GXSJLCMTSA-N 1 0 256.143 1.744 40 0 CDABRO Cc1nn(C)c2c1nc(C1CC1)nc2N1CC[NH+](C)CC1 ZINC000057356010 375421622 /nfs/dbraw/zinc/42/16/22/375421622.db2.gz VOWJZMMWSXHPHE-UHFFFAOYSA-N 1 0 286.383 1.301 40 0 CDABRO COc1ccc(-n2ncc(C(=O)[C@H]3CC[NH2+]C3)c2N)cc1 ZINC000257266591 190023108 /nfs/dbraw/zinc/02/31/08/190023108.db2.gz MDQSLXSROWZANO-JTQLQIEISA-N 1 0 286.335 1.255 40 0 CDABRO CNC(=O)CCc1cc([C@H]2CCCC[N@@H+]2C)nc(C)n1 ZINC000257280382 190025904 /nfs/dbraw/zinc/02/59/04/190025904.db2.gz OKPWHHIPXPQYQJ-CQSZACIVSA-N 1 0 276.384 1.620 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)/C=C/c2cccs2)C1 ZINC000257284060 190026182 /nfs/dbraw/zinc/02/61/82/190026182.db2.gz PBCCBVHNJBNZJB-GJBLVYBDSA-N 1 0 280.393 1.286 40 0 CDABRO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2c2ncccn2)n1 ZINC000257301533 190030498 /nfs/dbraw/zinc/03/04/98/190030498.db2.gz RYWMTUFHPWYOEG-CQSZACIVSA-N 1 0 298.394 1.978 40 0 CDABRO FC(F)(F)c1cccc(-c2nnn(C[C@H]3CC[NH2+]C3)n2)c1 ZINC000257318532 190033442 /nfs/dbraw/zinc/03/34/42/190033442.db2.gz VOHPEAKSNHDGTN-VIFPVBQESA-N 1 0 297.284 1.968 40 0 CDABRO c1nc2ncccn2c1-c1cc(CC[C@H]2CCC[NH2+]2)ncn1 ZINC000257319738 190033860 /nfs/dbraw/zinc/03/38/60/190033860.db2.gz VTXIMCCVIRRYTQ-GFCCVEGCSA-N 1 0 294.362 1.871 40 0 CDABRO O=C(CCCn1cccn1)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257340854 190037256 /nfs/dbraw/zinc/03/72/56/190037256.db2.gz ZHTNXHJXVTYCJN-LSDHHAIUSA-N 1 0 290.411 1.654 40 0 CDABRO COC1(OC)CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000002576307 378049850 /nfs/dbraw/zinc/04/98/50/378049850.db2.gz ANEFKQJYRFOSON-ZDUSSCGKSA-N 1 0 251.326 1.242 40 0 CDABRO C[NH2+]CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000396174798 256687777 /nfs/dbraw/zinc/68/77/77/256687777.db2.gz KAFFLQHTNYMZEM-BVUQATHDSA-N 1 0 270.373 1.499 40 0 CDABRO COc1ncccc1CN1C[C@H]([NH+](C)C)[C@@H]2OCCC[C@@H]21 ZINC000096185758 256816546 /nfs/dbraw/zinc/81/65/46/256816546.db2.gz VLAHALSSEKPNGX-SOUVJXGZSA-N 1 0 291.395 1.384 40 0 CDABRO COCCN1CC[C@@]2(CCC[N@H+](Cc3ccco3)C2)C1=O ZINC000096223963 256828465 /nfs/dbraw/zinc/82/84/65/256828465.db2.gz DIBVYDVHAQSSLR-MRXNPFEDSA-N 1 0 292.379 1.741 40 0 CDABRO CC(C)N(CC[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000079421415 390422552 /nfs/dbraw/zinc/42/25/52/390422552.db2.gz HEDJPLOFGJKJJG-GFCCVEGCSA-N 1 0 250.342 1.496 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409425261 390554910 /nfs/dbraw/zinc/55/49/10/390554910.db2.gz KGGWRDBQBRRWIW-LLVKDONJSA-N 1 0 295.387 1.384 40 0 CDABRO CC[C@](O)(C[NH3+])[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072208027 390616536 /nfs/dbraw/zinc/61/65/36/390616536.db2.gz YMELRIJWLBJZQJ-FZMZJTMJSA-N 1 0 272.389 1.876 40 0 CDABRO CC(C)[N@H+]1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1 ZINC000247978897 391424266 /nfs/dbraw/zinc/42/42/66/391424266.db2.gz JBXYDJXOTDUCCO-AWEZNQCLSA-N 1 0 279.384 1.186 40 0 CDABRO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC)CCN2C ZINC000096077124 398070316 /nfs/dbraw/zinc/07/03/16/398070316.db2.gz PIKUBPVOJRTWSB-ZDUSSCGKSA-N 1 0 267.417 1.413 40 0 CDABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1 ZINC000007728021 170299178 /nfs/dbraw/zinc/29/91/78/170299178.db2.gz MZXDKNZCCSMZOW-UHFFFAOYSA-N 1 0 298.408 1.459 40 0 CDABRO O=C(CN1CCOCC1)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000020458666 171208869 /nfs/dbraw/zinc/20/88/69/171208869.db2.gz SDSXUQAOBNTGTH-GJZGRUSLSA-N 1 0 296.411 1.126 40 0 CDABRO C[C@@]1([NH2+]Cc2cccc(F)c2)CCS(=O)(=O)C1 ZINC000035223160 172067667 /nfs/dbraw/zinc/06/76/67/172067667.db2.gz IDYMKDWHGPHFHE-GFCCVEGCSA-N 1 0 257.330 1.493 40 0 CDABRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)CC[NH2+]1 ZINC000071978919 176307876 /nfs/dbraw/zinc/30/78/76/176307876.db2.gz ZWXKUMLIKSAECV-MRVPVSSYSA-N 1 0 256.708 1.913 40 0 CDABRO OCCc1cc(CC2([NH2+]C3CCCCC3)COC2)no1 ZINC000072321907 176368937 /nfs/dbraw/zinc/36/89/37/176368937.db2.gz QZYXJABNMIQQDO-UHFFFAOYSA-N 1 0 280.368 1.443 40 0 biogenic,in-vitro CDABRO CN(C)C(=O)CCc1cccc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072382832 176388432 /nfs/dbraw/zinc/38/84/32/176388432.db2.gz NJLHKSSETAOLMO-CYBMUJFWSA-N 1 0 275.396 1.912 40 0 CDABRO COCCN(CC[NH+](C)C)C(=O)c1cccc(Cl)n1 ZINC000078512133 177348592 /nfs/dbraw/zinc/34/85/92/177348592.db2.gz COTPQONQXFWCFP-UHFFFAOYSA-N 1 0 285.775 1.385 40 0 CDABRO COc1ccc(CC(=O)NCCC[NH+](C)C)cc1C ZINC000074959615 260288586 /nfs/dbraw/zinc/28/85/86/260288586.db2.gz QWWVFZUSZCJBLS-UHFFFAOYSA-N 1 0 264.369 1.614 40 0 CDABRO CNC(=O)c1cnn2c1nccc2[C@H]1CC[N@@H+](C(C)C)C1 ZINC000257281057 277019277 /nfs/dbraw/zinc/01/92/77/277019277.db2.gz ONLAUQVCHPLKBX-NSHDSACASA-N 1 0 287.367 1.287 40 0 CDABRO CC(C)N(C(=O)C[NH3+])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391110 279274525 /nfs/dbraw/zinc/27/45/25/279274525.db2.gz MWNHMYGBGINGBI-LBPRGKRZSA-N 1 0 299.415 1.582 40 0 CDABRO Cc1c[nH]nc1[C@@H]1COCCN1C1CC[NH+](C)CC1 ZINC000257336201 302329527 /nfs/dbraw/zinc/32/95/27/302329527.db2.gz YNNDFULJNQUTFF-ZDUSSCGKSA-N 1 0 264.373 1.186 40 0 CDABRO c1csc(C[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ZINC000062717757 333176052 /nfs/dbraw/zinc/17/60/52/333176052.db2.gz OOLUAYWFXCYVKH-UHFFFAOYSA-N 1 0 290.392 1.665 40 0 CDABRO COc1cc(NC(=O)[C@H]([NH3+])CO)cc2ccccc21 ZINC000098043712 482993982 /nfs/dbraw/zinc/99/39/82/482993982.db2.gz UUXFIMTXSQJZID-GFCCVEGCSA-N 1 0 260.293 1.107 40 0 CDABRO COC[C@@]1(C(=O)NC2C(C)(C)C2(C)C)CC[NH2+]C1 ZINC000261589275 536813743 /nfs/dbraw/zinc/81/37/43/536813743.db2.gz WFMJVXKKAMMOGX-CQSZACIVSA-N 1 0 254.374 1.163 40 0 CDABRO CCN1CCC2(CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000096046745 185071299 /nfs/dbraw/zinc/07/12/99/185071299.db2.gz QFWXHTADYNWUNB-UHFFFAOYSA-N 1 0 273.380 1.916 40 0 CDABRO CCN1CCC2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000096046743 185072073 /nfs/dbraw/zinc/07/20/73/185072073.db2.gz JZCJSIADHDZQJD-UHFFFAOYSA-N 1 0 273.380 1.916 40 0 CDABRO c1cc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)co1 ZINC000096054992 185075782 /nfs/dbraw/zinc/07/57/82/185075782.db2.gz DEOKXVDOAVQACW-HZPDHXFCSA-N 1 0 276.380 1.965 40 0 CDABRO COC[C@@H]1C[N@H+](CC2CC2)Cc2nnn(CC3CC3)c21 ZINC000096060898 185083385 /nfs/dbraw/zinc/08/33/85/185083385.db2.gz IHZBHVAKGOMUEJ-ZDUSSCGKSA-N 1 0 276.384 1.644 40 0 CDABRO COCC[N@@H+]1CC[C@@]12CCN(C(=O)c1cccc(F)c1)C2 ZINC000096075965 185089486 /nfs/dbraw/zinc/08/94/86/185089486.db2.gz KOWAMVOFWIMZLT-MRXNPFEDSA-N 1 0 292.354 1.763 40 0 CDABRO c1cnc(N2C[C@@H]3C[N@H+](Cc4ccncc4)C[C@@H]3C2)nc1 ZINC000096110660 185101527 /nfs/dbraw/zinc/10/15/27/185101527.db2.gz SYONVFYXOKCHRI-GASCZTMLSA-N 1 0 281.363 1.440 40 0 CDABRO c1c(-c2nc(C3CC3)no2)n[nH]c1[C@H]1CCC[NH2+]C1 ZINC000096516116 342165843 /nfs/dbraw/zinc/16/58/43/342165843.db2.gz SLOOAHSHWWFWSB-VIFPVBQESA-N 1 0 259.313 1.804 40 0 CDABRO Cc1ccccc1C(=O)N1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000585108285 342213240 /nfs/dbraw/zinc/21/32/40/342213240.db2.gz PJGYWCRVXMKLNA-PBHICJAKSA-N 1 0 288.391 1.645 40 0 CDABRO CCCC[N@@H+]1CCC[C@]2(CC(C(=O)NCCC)=NO2)C1 ZINC000585101151 342212325 /nfs/dbraw/zinc/21/23/25/342212325.db2.gz JZPWJYDCECURRH-HNNXBMFYSA-N 1 0 281.400 1.924 40 0 CDABRO CC(C)[N@H+]1Cc2cccn2C[C@H](Oc2ncccn2)C1 ZINC000585112960 342213603 /nfs/dbraw/zinc/21/36/03/342213603.db2.gz XDQXLZWDOQMTBV-AWEZNQCLSA-N 1 0 272.352 1.950 40 0 CDABRO C[C@@](CO)(c1ccccc1Cl)N1CCOCC1 ZINC000070453430 361972389 /nfs/dbraw/zinc/97/23/89/361972389.db2.gz LKBQOIPZGNUHII-CYBMUJFWSA-N 1 0 255.745 1.880 40 0 CDABRO C[C@](CO)(c1ccccc1Cl)N1CCOCC1 ZINC000070453431 361972878 /nfs/dbraw/zinc/97/28/78/361972878.db2.gz LKBQOIPZGNUHII-ZDUSSCGKSA-N 1 0 255.745 1.880 40 0 CDABRO C[C@H]1CN2C[C@H](O)C[C@H]2C[N@@H+]1CC1(O)CCCCCC1 ZINC000585284025 342258616 /nfs/dbraw/zinc/25/86/16/342258616.db2.gz QPLQNPPAKKSBED-SOUVJXGZSA-N 1 0 282.428 1.211 40 0 CDABRO c1cnc(NC[C@H]2CCC3(C[NH+](CC4CC4)C3)OC2)nc1 ZINC000253592548 362440678 /nfs/dbraw/zinc/44/06/78/362440678.db2.gz WXWQWLFJFGQSJB-CQSZACIVSA-N 1 0 288.395 1.780 40 0 CDABRO O=C(OCc1ccccc1)N1CCC2(CC1)COCC[NH2+]2 ZINC000306145572 201845414 /nfs/dbraw/zinc/84/54/14/201845414.db2.gz IVFQQTQUHJGPTJ-UHFFFAOYSA-N 1 0 290.363 1.778 40 0 CDABRO CO[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000215373835 348728215 /nfs/dbraw/zinc/72/82/15/348728215.db2.gz OMPQDSCQQOWFJN-STQMWFEESA-N 1 0 264.325 1.371 40 0 CDABRO O=C(c1ccsc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000107500257 186176824 /nfs/dbraw/zinc/17/68/24/186176824.db2.gz AVRSQTFOGJXQMW-CYBMUJFWSA-N 1 0 250.367 1.964 40 0 CDABRO CC(C)C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)C(=O)OC(C)C ZINC000236607434 363275229 /nfs/dbraw/zinc/27/52/29/363275229.db2.gz DXOLKQYULQQTQT-STQMWFEESA-N 1 0 284.400 1.611 40 0 CDABRO C[NH+](C)CC1CN(S(=O)(=O)C2CCCCC2)C1 ZINC000632382352 363333942 /nfs/dbraw/zinc/33/39/42/363333942.db2.gz NVYNLZAARAZIAH-UHFFFAOYSA-N 1 0 260.403 1.142 40 0 CDABRO CCOc1ccccc1NC(=S)NCC[NH+](C)C ZINC000013765479 356357080 /nfs/dbraw/zinc/35/70/80/356357080.db2.gz MPFPYDRIVRGAJD-UHFFFAOYSA-N 1 0 267.398 1.933 40 0 CDABRO Cc1cc(NC(=O)[C@H]2CC[NH2+]C2)n(C2CCCC2)n1 ZINC000019746028 356499378 /nfs/dbraw/zinc/49/93/78/356499378.db2.gz XFAXQIKWHDBNKV-NSHDSACASA-N 1 0 262.357 1.855 40 0 CDABRO [NH3+]CCN1C(=O)O[C@H](Cc2ccccc2Cl)C1=O ZINC000039320070 356972438 /nfs/dbraw/zinc/97/24/38/356972438.db2.gz NSEUTVOMEVBIOG-SNVBAGLBSA-N 1 0 268.700 1.189 40 0 CDABRO COc1cc(OC[C@@H]2CCC[NH2+]C2)nc(SC)n1 ZINC000079439982 358069773 /nfs/dbraw/zinc/06/97/73/358069773.db2.gz DMOQKLMHGNOEHZ-SECBINFHSA-N 1 0 269.370 1.586 40 0 CDABRO CCCN(CC(N)=[NH2+])S(=O)(=O)c1ccc(F)cc1 ZINC000079785959 358080955 /nfs/dbraw/zinc/08/09/55/358080955.db2.gz SDYKNROPUXTDKS-UHFFFAOYSA-N 1 0 273.333 1.162 40 0 CDABRO COc1cc(OC[C@H]2CCC[NH2+]C2)nc(SC)n1 ZINC000079439989 358235725 /nfs/dbraw/zinc/23/57/25/358235725.db2.gz DMOQKLMHGNOEHZ-VIFPVBQESA-N 1 0 269.370 1.586 40 0 CDABRO Cc1noc(CN2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000042564321 364598885 /nfs/dbraw/zinc/59/88/85/364598885.db2.gz OVEWRFUXQLYGFS-UHFFFAOYSA-N 1 0 286.379 1.738 40 0 CDABRO O[C@H](C[NH2+]CC1CC1)c1ccc(Br)cn1 ZINC000217529677 189710445 /nfs/dbraw/zinc/71/04/45/189710445.db2.gz SCKFRFXZJIEMBB-LLVKDONJSA-N 1 0 271.158 1.877 40 0 CDABRO CCn1nc(C)c(C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1C ZINC000638501667 370357749 /nfs/dbraw/zinc/35/77/49/370357749.db2.gz HBAPJWGQYWVOTF-GFCCVEGCSA-N 1 0 276.384 1.534 40 0 CDABRO Cc1cc(=NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)[nH]n1C(C)C ZINC000333477937 205356864 /nfs/dbraw/zinc/35/68/64/205356864.db2.gz FFFHIEAVBDTJOH-ZDUSSCGKSA-N 1 0 293.415 1.752 40 0 CDABRO CCCn1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000333884063 205800181 /nfs/dbraw/zinc/80/01/81/205800181.db2.gz WUVOMSSRRXJGII-HIFRSBDPSA-N 1 0 290.411 1.897 40 0 CDABRO CC(C)COCCN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000225427019 374360750 /nfs/dbraw/zinc/36/07/50/374360750.db2.gz UMOJEDJTZYOFSW-GFCCVEGCSA-N 1 0 263.403 1.026 40 0 CDABRO CCOc1cc(O[C@@H]2CCC[NH2+]C2)nc(SC)n1 ZINC000079439746 374405198 /nfs/dbraw/zinc/40/51/98/374405198.db2.gz XCKSPPGNKTYTDH-SECBINFHSA-N 1 0 269.370 1.728 40 0 CDABRO Cc1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccncc1)C2 ZINC000225518032 374648779 /nfs/dbraw/zinc/64/87/79/374648779.db2.gz WUZZMOLXDHVKHM-SNVBAGLBSA-N 1 0 256.309 1.857 40 0 CDABRO CN(C)C(=O)CN1CC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000306134570 374970141 /nfs/dbraw/zinc/97/01/41/374970141.db2.gz NSGIZQMXZANKPL-JKSUJKDBSA-N 1 0 287.407 1.423 40 0 CDABRO COC(=O)c1ccc2c(c1)CCC[C@]21COCC[NH2+]1 ZINC000306145570 374971784 /nfs/dbraw/zinc/97/17/84/374971784.db2.gz ITOAKAWGXJFVTE-HNNXBMFYSA-N 1 0 261.321 1.625 40 0 CDABRO Cn1nccc1C[NH+]1CCC(c2ccnc3ccnn32)CC1 ZINC000257200796 190010958 /nfs/dbraw/zinc/01/09/58/190010958.db2.gz AEYUXYKNZBQAEX-UHFFFAOYSA-N 1 0 296.378 1.842 40 0 CDABRO C[N@@H+]1CCN(Cc2ccc(Cl)c(F)c2)C[C@@H](C(N)=O)C1 ZINC000257224257 190015758 /nfs/dbraw/zinc/01/57/58/190015758.db2.gz FAZDPBCITXDXLM-NSHDSACASA-N 1 0 299.777 1.328 40 0 CDABRO Cc1ccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1F ZINC000257216788 190014222 /nfs/dbraw/zinc/01/42/22/190014222.db2.gz CWBAXDSULNKOME-HNNXBMFYSA-N 1 0 280.343 1.273 40 0 CDABRO Cn1nccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[NH2+]2 ZINC000257240921 190018473 /nfs/dbraw/zinc/01/84/73/190018473.db2.gz HVTMGOWMCNNKBO-ZIEJDFEHSA-N 1 0 288.395 1.555 40 0 CDABRO Cc1cnc(Nc2cc(C3C[NH2+]C3)nc(C)n2)s1 ZINC000257247251 190019580 /nfs/dbraw/zinc/01/95/80/190019580.db2.gz IYDOKAMALPXFNZ-UHFFFAOYSA-N 1 0 261.354 1.980 40 0 CDABRO Cc1ccnc([C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000257247212 190019593 /nfs/dbraw/zinc/01/95/93/190019593.db2.gz IXYORPGSABNNKH-CYBMUJFWSA-N 1 0 260.385 1.669 40 0 CDABRO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc[nH]3)C[C@H]12 ZINC000257252241 190019977 /nfs/dbraw/zinc/01/99/77/190019977.db2.gz JUBQGOQKXDDBQC-VHDGCEQUSA-N 1 0 298.394 1.547 40 0 CDABRO Cc1cnccc1C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257292232 190027489 /nfs/dbraw/zinc/02/74/89/190027489.db2.gz QKPBJVGHGMYPJM-GJZGRUSLSA-N 1 0 262.353 1.506 40 0 CDABRO Fc1ccccc1OCCc1cc([C@H]2C[NH2+]CCO2)[nH]n1 ZINC000257289949 190027627 /nfs/dbraw/zinc/02/76/27/190027627.db2.gz QAWMXMCHYAATJI-OAHLLOKOSA-N 1 0 291.326 1.831 40 0 CDABRO CO[C@H]1CC[N@H+](Cc2cnn(C)c2C)C[C@@]12CCCO2 ZINC000257273527 190024652 /nfs/dbraw/zinc/02/46/52/190024652.db2.gz NGZAFPUDIQGAEU-GJZGRUSLSA-N 1 0 279.384 1.498 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)CCC2CCCCC2)C1 ZINC000257294713 190028380 /nfs/dbraw/zinc/02/83/80/190028380.db2.gz QVIZBZVEDHLLNT-MRXNPFEDSA-N 1 0 282.428 1.872 40 0 CDABRO Cn1cc(C[N@@H+]2CCC3(CC(Nc4ccncn4)C3)C2)cn1 ZINC000257310076 190031991 /nfs/dbraw/zinc/03/19/91/190031991.db2.gz UDPDKGAYSUJCDG-UHFFFAOYSA-N 1 0 298.394 1.677 40 0 CDABRO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(O)(COC)CC1 ZINC000330488243 376159107 /nfs/dbraw/zinc/15/91/07/376159107.db2.gz JFCVACGWKQBALA-LBPRGKRZSA-N 1 0 286.416 1.153 40 0 CDABRO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(O)(COC)CC1 ZINC000330488242 376159549 /nfs/dbraw/zinc/15/95/49/376159549.db2.gz JFCVACGWKQBALA-GFCCVEGCSA-N 1 0 286.416 1.153 40 0 CDABRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)NC1CC1 ZINC000069077771 377790788 /nfs/dbraw/zinc/79/07/88/377790788.db2.gz QUNPWTPSEFOSCS-AWEZNQCLSA-N 1 0 265.401 1.215 40 0 CDABRO COc1ccc(SCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000069438152 378089936 /nfs/dbraw/zinc/08/99/36/378089936.db2.gz MCNWXABWQZLORI-UHFFFAOYSA-N 1 0 294.420 1.998 40 0 CDABRO C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)C[NH+](C)C)C1 ZINC000135278292 296286162 /nfs/dbraw/zinc/28/61/62/296286162.db2.gz BHEZIRZWZCRQBZ-BXUZGUMPSA-N 1 0 256.390 1.242 40 0 CDABRO CC(C)NC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1Cc1cnn(C)c1 ZINC000096200934 256820702 /nfs/dbraw/zinc/82/07/02/256820702.db2.gz URVUQTYFVBPDIS-KGLIPLIRSA-N 1 0 293.415 1.085 40 0 CDABRO O[C@@H]1C[C@H](c2ccncc2)[C@@H]([NH2+]CC2CCCC2)[C@@H]1O ZINC000072321661 285335630 /nfs/dbraw/zinc/33/56/30/285335630.db2.gz XOTYITQUCMZTMZ-KLHDSHLOSA-N 1 0 276.380 1.439 40 0 biogenic,in-vitro CDABRO COc1ccc(COC[C@@H](O)C[NH3+])cc1Br ZINC000095096278 184943720 /nfs/dbraw/zinc/94/37/20/184943720.db2.gz KGVQEFBPDOYVQJ-VIFPVBQESA-N 1 0 290.157 1.294 40 0 CDABRO CN(C)C(=O)[C@@]1(C)C[N@H+](CCc2ccccc2)CCO1 ZINC000072379286 390628152 /nfs/dbraw/zinc/62/81/52/390628152.db2.gz YWSWLULBZMRJND-MRXNPFEDSA-N 1 0 276.380 1.408 40 0 CDABRO Cc1cnc2n1CCN(C)C21CC[NH+](CC2CC2)CC1 ZINC000096037007 390912042 /nfs/dbraw/zinc/91/20/42/390912042.db2.gz DMBMDHDZZACZTC-UHFFFAOYSA-N 1 0 274.412 1.838 40 0 CDABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccoc2)C1 ZINC000096059171 390912282 /nfs/dbraw/zinc/91/22/82/390912282.db2.gz JQBXVHLHZTVIFK-AWEZNQCLSA-N 1 0 274.368 1.670 40 0 CDABRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC(C)(C)O1 ZINC000041679803 391478437 /nfs/dbraw/zinc/47/84/37/391478437.db2.gz SHONQYTYXWQYRN-OCCSQVGLSA-N 1 0 276.380 1.582 40 0 CDABRO NC(=O)[C@H](O[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000217520310 413112457 /nfs/dbraw/zinc/11/24/57/413112457.db2.gz MLAQZLDTZUHNKE-VXGBXAGGSA-N 1 0 252.289 1.121 40 0 CDABRO C[NH+](C)CCCNS(=O)(=O)Cc1ccccc1 ZINC000005508988 170105860 /nfs/dbraw/zinc/10/58/60/170105860.db2.gz QAJBLPNKCBWAPQ-UHFFFAOYSA-N 1 0 256.371 1.058 40 0 CDABRO CCc1cc(C(=O)N2CCCC[C@@H]2CC[NH+](C)C)n(C)n1 ZINC000019522148 170825255 /nfs/dbraw/zinc/82/52/55/170825255.db2.gz JSMSQEWWDIOSFH-CQSZACIVSA-N 1 0 292.427 1.929 40 0 CDABRO CCOc1ccc(CNCC[NH2+]CCO)cc1OCC ZINC000022076048 171352285 /nfs/dbraw/zinc/35/22/85/171352285.db2.gz JFTLELGJIZAKMV-UHFFFAOYSA-N 1 0 282.384 1.156 40 0 CDABRO C[C@@H]1CN([C@H](C[NH3+])c2cccc(F)c2)C[C@H](C)O1 ZINC000022168455 171366835 /nfs/dbraw/zinc/36/68/35/171366835.db2.gz KOSVWTNJZPXZKA-UHIISALHSA-N 1 0 252.333 1.935 40 0 CDABRO CN(C)C(=O)Cc1ccccc1CN1CC[NH+](C)CC1 ZINC000045221479 175330875 /nfs/dbraw/zinc/33/08/75/175330875.db2.gz FBUDEZFBYALWHB-UHFFFAOYSA-N 1 0 275.396 1.065 40 0 CDABRO CC[N@@H+]1CCC[C@@](O)(CNCc2ccccc2F)C1 ZINC000046087888 175392263 /nfs/dbraw/zinc/39/22/63/175392263.db2.gz RPSNYSMNORUSSR-OAHLLOKOSA-N 1 0 266.360 1.762 40 0 CDABRO Cc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1C ZINC000071574981 176201876 /nfs/dbraw/zinc/20/18/76/176201876.db2.gz LWRAZHGDJUKFCM-UHFFFAOYSA-N 1 0 253.367 1.829 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2ccccc2n1 ZINC000072397682 176395211 /nfs/dbraw/zinc/39/52/11/176395211.db2.gz QQAMDUOCCFJGNN-KBRIMQKVSA-N 1 0 297.402 1.874 40 0 CDABRO CNc1ncc(CN(C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000072398252 176396576 /nfs/dbraw/zinc/39/65/76/176396576.db2.gz LFTDNVBKVJLHEN-UHFFFAOYSA-N 1 0 277.416 1.823 40 0 CDABRO CC[NH+](CC)CC(=O)NC[C@H](O)c1c(F)cccc1F ZINC000077634725 177289200 /nfs/dbraw/zinc/28/92/00/177289200.db2.gz ZPLYDLXNORQQSQ-LBPRGKRZSA-N 1 0 286.322 1.456 40 0 CDABRO C[C@](CO)([NH2+]CCCS(C)(=O)=O)C1CCCCC1 ZINC000077657049 177291667 /nfs/dbraw/zinc/29/16/67/177291667.db2.gz ZRWWNKBXIHKORV-CYBMUJFWSA-N 1 0 277.430 1.342 40 0 CDABRO CC(C)(C)n1nccc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333329131 275544811 /nfs/dbraw/zinc/54/48/11/275544811.db2.gz OBFLWYUBHKGLKL-NSHDSACASA-N 1 0 295.387 1.138 40 0 CDABRO C[C@@H]1OC(=O)[C@@H]2[C@H]1[N@@H+]1CCc3ccccc3[C@@H]1C[C@@H]2O ZINC000016036788 278050888 /nfs/dbraw/zinc/05/08/88/278050888.db2.gz MPEJFJFZVUSBET-IRKCQTEASA-N 1 0 273.332 1.281 40 0 CDABRO CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)C[NH3+] ZINC000079390851 279219435 /nfs/dbraw/zinc/21/94/35/279219435.db2.gz ZDFZSXKULPUVMT-NSHDSACASA-N 1 0 285.388 1.193 40 0 CDABRO CCOC(=O)C1=C(c2cccc(O)c2)NC(S)[NH+]=C1C ZINC001560404590 960942625 /nfs/dbraw/zinc/94/26/25/960942625.db2.gz NKKQKQVMKUGQGF-UHFFFAOYSA-N 1 0 291.352 1.998 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)CCC(C)(C)c1ccccc1 ZINC001548448208 969424835 /nfs/dbraw/zinc/42/48/35/969424835.db2.gz VKXFKJLRRCAKBV-HUUCEWRRSA-N 1 0 290.407 1.847 40 0 CDABRO O=C1[C@H]2C[N@H+](CC3CC3)C[C@@H]2CN1c1ccccc1 ZINC000096053635 185074873 /nfs/dbraw/zinc/07/48/73/185074873.db2.gz NSADLTMRCYRNED-HIFRSBDPSA-N 1 0 256.349 1.991 40 0 CDABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccco1 ZINC000096056485 185077388 /nfs/dbraw/zinc/07/73/88/185077388.db2.gz XGBLIKRZMDZFKO-ZIAGYGMSSA-N 1 0 278.352 1.491 40 0 CDABRO Cc1ccc(C[NH2+]C[C@@H]2COCc3c(C)nnn3C2)o1 ZINC000096061115 185082950 /nfs/dbraw/zinc/08/29/50/185082950.db2.gz AHMBGTXDXFAAPG-LBPRGKRZSA-N 1 0 276.340 1.424 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)Cc2ccsc2)[C@@H]2COC[C@@H]21 ZINC000096064190 185084767 /nfs/dbraw/zinc/08/47/67/185084767.db2.gz ASSNJKKGNHSHPY-JHJVBQTASA-N 1 0 280.393 1.078 40 0 CDABRO c1cncc(CN2C[C@@H]3C[N@H+](CC4CC4)C[C@@H]3C2)c1 ZINC000096110637 185100446 /nfs/dbraw/zinc/10/04/46/185100446.db2.gz BAWMYWGYJPVUOM-IYBDPMFKSA-N 1 0 257.381 1.855 40 0 CDABRO C[N@@H+]1C[C@H](CO)CC12CN(C(=O)c1ccc(Cl)cc1)C2 ZINC000585093730 342211393 /nfs/dbraw/zinc/21/13/93/342211393.db2.gz ATSHEWOGIFPEII-LLVKDONJSA-N 1 0 294.782 1.479 40 0 CDABRO COCC[N@@H+]1CCC[C@@H](c2cncc(-c3cc[nH]n3)n2)C1 ZINC000585177421 342232406 /nfs/dbraw/zinc/23/24/06/342232406.db2.gz IRVCOPMRHSVGHH-GFCCVEGCSA-N 1 0 287.367 1.693 40 0 CDABRO CNC(=O)C[C@H]1C[N@@H+](C2CCCCCC2)C[C@@H]1O ZINC000585277333 342256415 /nfs/dbraw/zinc/25/64/15/342256415.db2.gz URDPSQRVICRANI-AAEUAGOBSA-N 1 0 254.374 1.138 40 0 CDABRO COc1cccc([C@@H]2CO[C@]3(C2)C[N@H+](C)C[C@H]3O)c1 ZINC000585291628 342259008 /nfs/dbraw/zinc/25/90/08/342259008.db2.gz QXJBRGHPOKRSBH-NWANDNLSSA-N 1 0 263.337 1.244 40 0 CDABRO O=C1[C@@H]2C[N@H+](CC3CC3)C[C@H]2CN1c1ccccc1 ZINC000247716192 362127923 /nfs/dbraw/zinc/12/79/23/362127923.db2.gz NSADLTMRCYRNED-DZGCQCFKSA-N 1 0 256.349 1.991 40 0 CDABRO CCN(CC)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000001699639 362570056 /nfs/dbraw/zinc/57/00/56/362570056.db2.gz VOFIXWQSZIFCEO-UHFFFAOYSA-N 1 0 256.371 1.218 40 0 CDABRO CN1CCC([N@@H+]2CCOC[C@@H](Cc3ccncn3)C2)CC1 ZINC000257257525 362580912 /nfs/dbraw/zinc/58/09/12/362580912.db2.gz KQAMFQCPORNISQ-AWEZNQCLSA-N 1 0 290.411 1.062 40 0 CDABRO CCOC(=O)C1CC[NH+](CC[C@@H](O)C(F)(F)F)CC1 ZINC000000152365 355891643 /nfs/dbraw/zinc/89/16/43/355891643.db2.gz YBEWSDMAHZCIDN-SNVBAGLBSA-N 1 0 283.290 1.575 40 0 CDABRO CCCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019501354 356487852 /nfs/dbraw/zinc/48/78/52/356487852.db2.gz NOJYMEPZXLEPJV-CYBMUJFWSA-N 1 0 274.368 1.586 40 0 CDABRO Cc1nnsc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000019563667 356492420 /nfs/dbraw/zinc/49/24/20/356492420.db2.gz RPMQFBJUEBLXKD-UHFFFAOYSA-N 1 0 290.392 1.838 40 0 CDABRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000019588528 356492536 /nfs/dbraw/zinc/49/25/36/356492536.db2.gz VDLFJRDBVJXOMF-INIZCTEOSA-N 1 0 298.390 1.755 40 0 CDABRO C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2Cn2cccn2)C1 ZINC000019588532 356492540 /nfs/dbraw/zinc/49/25/40/356492540.db2.gz DTGKKUWJBIJIJO-HNNXBMFYSA-N 1 0 298.390 1.755 40 0 CDABRO Cn1nccc1C[N@@H+]1CC[C@@H](C(=O)NC2CCCC2)C1 ZINC000019747717 356499183 /nfs/dbraw/zinc/49/91/83/356499183.db2.gz IXLJBQOHRCXNJD-GFCCVEGCSA-N 1 0 276.384 1.301 40 0 CDABRO COc1ccc(SCC(=O)NCC[NH+](C)C)cc1OC ZINC000020104478 356526215 /nfs/dbraw/zinc/52/62/15/356526215.db2.gz DPWLZAJBDRPSNC-UHFFFAOYSA-N 1 0 298.408 1.474 40 0 CDABRO [NH3+]CCS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000036720675 356878592 /nfs/dbraw/zinc/87/85/92/356878592.db2.gz ILSZCWAFJPIFTG-UHFFFAOYSA-N 1 0 268.165 1.867 40 0 CDABRO C[NH+](C)CCOC1CCN(c2ccc(Cl)nn2)CC1 ZINC000036724584 356878731 /nfs/dbraw/zinc/87/87/31/356878731.db2.gz VYRRZHDKOWSGSK-UHFFFAOYSA-N 1 0 284.791 1.677 40 0 CDABRO [NH3+]CCS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000036720678 356879044 /nfs/dbraw/zinc/87/90/44/356879044.db2.gz SMLXDKIFTZRCRD-UHFFFAOYSA-N 1 0 268.165 1.867 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@H](N(C(=O)C[NH3+])C2CC2)C1 ZINC000079391145 356988030 /nfs/dbraw/zinc/98/80/30/356988030.db2.gz DHLMLLZDPSNBHT-LBPRGKRZSA-N 1 0 297.399 1.336 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391372 356988663 /nfs/dbraw/zinc/98/86/63/356988663.db2.gz WURSQUVCHDYVQL-NEPJUHHUSA-N 1 0 299.415 1.343 40 0 CDABRO CCN(C[C@@H]1CCN(C(=O)C[NH3+])C1)C(=O)OC(C)(C)C ZINC000079409141 356992390 /nfs/dbraw/zinc/99/23/90/356992390.db2.gz PJHVGLQUBSSWKN-NSHDSACASA-N 1 0 285.388 1.051 40 0 CDABRO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)C[NH3+] ZINC000079415243 356993823 /nfs/dbraw/zinc/99/38/23/356993823.db2.gz NBLGWPXAGZFOOF-OAHLLOKOSA-N 1 0 275.396 1.458 40 0 CDABRO NC(=[NH2+])[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000083767567 357106505 /nfs/dbraw/zinc/10/65/05/357106505.db2.gz MHQCLVSAYCNOOI-VIFPVBQESA-N 1 0 285.344 1.162 40 0 CDABRO CCOC(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)OCC ZINC000047219140 357153749 /nfs/dbraw/zinc/15/37/49/357153749.db2.gz IVYZOQODXLJAMD-LLVKDONJSA-N 1 0 275.389 1.953 40 0 CDABRO Cc1cccc(C)c1OCC(=O)NC1CC[NH+](C)CC1 ZINC000047829248 357165652 /nfs/dbraw/zinc/16/56/52/357165652.db2.gz VYJJYFIJECFTHQ-UHFFFAOYSA-N 1 0 276.380 1.893 40 0 CDABRO Cc1ccc(CS(=O)(=O)NC2CC[NH+](C)CC2)cc1 ZINC000074861080 357928826 /nfs/dbraw/zinc/92/88/26/357928826.db2.gz MBJZCYVKKDINRN-UHFFFAOYSA-N 1 0 282.409 1.509 40 0 CDABRO COc1cc(C=O)ccc1OCCCN1CC[NH2+]CC1 ZINC000019798091 358143327 /nfs/dbraw/zinc/14/33/27/358143327.db2.gz ROAVFTTZKPRGQJ-UHFFFAOYSA-N 1 0 278.352 1.182 40 0 CDABRO CSCC[C@H](C)[N@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000072666055 358544706 /nfs/dbraw/zinc/54/47/06/358544706.db2.gz AIGZIGFVSBFLBY-AVGNSLFASA-N 1 0 288.457 1.696 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000100177828 358642934 /nfs/dbraw/zinc/64/29/34/358642934.db2.gz HSYISULWWCUMBI-SDDRHHMPSA-N 1 0 299.415 1.628 40 0 CDABRO O=C(C[C@H]1C[C@H]2C[N@H+](CC3CC3)C[C@H]2O1)NC1CCC1 ZINC000096214918 358721548 /nfs/dbraw/zinc/72/15/48/358721548.db2.gz UPOILMWXQUAFPJ-NWANDNLSSA-N 1 0 278.396 1.545 40 0 CDABRO CC(C)N1CCO[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC000096246446 358725928 /nfs/dbraw/zinc/72/59/28/358725928.db2.gz HVPGTYIJXQFTBG-KGLIPLIRSA-N 1 0 294.420 1.611 40 0 CDABRO COCC(=O)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC000096268919 358731692 /nfs/dbraw/zinc/73/16/92/358731692.db2.gz YBKFXRWLYWASAQ-UHFFFAOYSA-N 1 0 274.364 1.296 40 0 CDABRO [NH3+]C[C@H]1CCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000222537444 359351931 /nfs/dbraw/zinc/35/19/31/359351931.db2.gz MDABVFKBAGAQCW-LLVKDONJSA-N 1 0 274.773 1.203 40 0 CDABRO C[NH+](C)CCNC(=O)c1ccc2[nH]c(Cl)nc2c1 ZINC000225975155 359637290 /nfs/dbraw/zinc/63/72/90/359637290.db2.gz LYOZSSDWYXQNOM-UHFFFAOYSA-N 1 0 266.732 1.508 40 0 CDABRO CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(N)c1 ZINC000226262893 360417785 /nfs/dbraw/zinc/41/77/85/360417785.db2.gz DJCXTVSKDYNFFB-UHFFFAOYSA-N 1 0 262.357 1.369 40 0 CDABRO COC[C@]1(C(=O)N2CCC([C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000333264025 205166004 /nfs/dbraw/zinc/16/60/04/205166004.db2.gz JHECXKNAXJVGNC-ZBFHGGJFSA-N 1 0 296.411 1.030 40 0 CDABRO Cc1c(C[NH2+]C[C@H]2CCCO2)cnn1CC(F)F ZINC000256054203 190004712 /nfs/dbraw/zinc/00/47/12/190004712.db2.gz VKKMNVPILQRDOI-LLVKDONJSA-N 1 0 259.300 1.725 40 0 CDABRO Clc1c(N2CCCC2)cnnc1N1CC[NH2+]CC1 ZINC000217514113 375662095 /nfs/dbraw/zinc/66/20/95/375662095.db2.gz ZZHLTRHWEMHGFP-UHFFFAOYSA-N 1 0 267.764 1.140 40 0 CDABRO CCOCCN1CC[NH2+]C[C@H]1c1cccc(C(=O)NC)c1 ZINC000257205088 190011150 /nfs/dbraw/zinc/01/11/50/190011150.db2.gz AXPOXSDTPHRJMF-HNNXBMFYSA-N 1 0 291.395 1.029 40 0 CDABRO Cc1cc(Nc2cc(C)nc([C@H]3CC[NH2+]C3)n2)no1 ZINC000257203510 190011668 /nfs/dbraw/zinc/01/16/68/190011668.db2.gz AQJZJOIERURGRY-JTQLQIEISA-N 1 0 259.313 1.902 40 0 CDABRO Cc1cc(C(=O)NC2CC2)nc(C2CC[NH+](C)CC2)n1 ZINC000257232308 190017189 /nfs/dbraw/zinc/01/71/89/190017189.db2.gz GKHRAIQFGOUQKG-UHFFFAOYSA-N 1 0 274.368 1.486 40 0 CDABRO O=C(CCCn1ccnc1)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257267600 190023018 /nfs/dbraw/zinc/02/30/18/190023018.db2.gz MIADDTNSEAIRRK-LSDHHAIUSA-N 1 0 290.411 1.654 40 0 CDABRO CNS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000133480919 375787671 /nfs/dbraw/zinc/78/76/71/375787671.db2.gz CIATYASZPCPSSE-GJZGRUSLSA-N 1 0 296.436 1.852 40 0 CDABRO OC1(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)CCOCC1 ZINC000257273948 190024823 /nfs/dbraw/zinc/02/48/23/190024823.db2.gz NIXGTOCSSUGAHI-CYBMUJFWSA-N 1 0 277.368 1.198 40 0 CDABRO OC1(C[NH+]2CCC(c3ccncc3)CC2)CCOCC1 ZINC000257293956 190028559 /nfs/dbraw/zinc/02/85/59/190028559.db2.gz QRVQDFKLFQTESP-UHFFFAOYSA-N 1 0 276.380 1.803 40 0 CDABRO C[C@@]1(C(=O)N(Cc2ccccc2)CC2CC2)C[NH2+]CCO1 ZINC000257317415 190032532 /nfs/dbraw/zinc/03/25/32/190032532.db2.gz VJQWOBGZKFTWHS-KRWDZBQOSA-N 1 0 288.391 1.804 40 0 CDABRO Cc1ccc(C(=O)N2CC[C@H]3[NH2+]CCCC[C@H]3C2)cn1 ZINC000257339200 190037339 /nfs/dbraw/zinc/03/73/39/190037339.db2.gz ZAQZOFKTLKZNAU-LSDHHAIUSA-N 1 0 273.380 1.994 40 0 CDABRO CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccncc1 ZINC000067897137 377286823 /nfs/dbraw/zinc/28/68/23/377286823.db2.gz MIQPYNUSISSINH-CABCVRRESA-N 1 0 289.379 1.149 40 0 biogenic,in-vitro CDABRO CC(=O)N1CCO[C@]2(CCC[N@H+](Cc3ccoc3)C2)C1 ZINC000063527673 378303862 /nfs/dbraw/zinc/30/38/62/378303862.db2.gz XUWDIHJQHQLMQA-HNNXBMFYSA-N 1 0 278.352 1.493 40 0 CDABRO CC(C)[NH2+]CCc1ccc(NS(C)(=O)=O)cc1 ZINC000083261778 256702011 /nfs/dbraw/zinc/70/20/11/256702011.db2.gz HCLCHPYEDZTGMF-UHFFFAOYSA-N 1 0 256.371 1.599 40 0 CDABRO CN(C)C(=O)[C@H]1C[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]1O2 ZINC000096252821 256835853 /nfs/dbraw/zinc/83/58/53/256835853.db2.gz RPVOCOKYQDFUOW-OWCLPIDISA-N 1 0 288.391 1.407 40 0 CDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Br)cc1 ZINC000054370252 390485201 /nfs/dbraw/zinc/48/52/01/390485201.db2.gz IZZXIONWUVDTTH-VIFPVBQESA-N 1 0 283.169 1.883 40 0 CDABRO CC(C)OC(=O)[C@@H]1CC[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000096510338 390530793 /nfs/dbraw/zinc/53/07/93/390530793.db2.gz GXNVKSKNYMQVPW-GHMZBOCLSA-N 1 0 286.372 1.441 40 0 CDABRO [NH3+][C@H]1CCN(c2nc(C3CC3)nc3c2CCCC3)C1 ZINC000096516997 390531946 /nfs/dbraw/zinc/53/19/46/390531946.db2.gz GXJIBPAFDKPWNR-NSHDSACASA-N 1 0 258.369 1.770 40 0 CDABRO C[C@H]([NH3+])[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000072208866 390616897 /nfs/dbraw/zinc/61/68/97/390616897.db2.gz PBAKKBONSOERFT-JGVFFNPUSA-N 1 0 250.289 1.978 40 0 CDABRO COC[C@@H](O)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000071269710 392015620 /nfs/dbraw/zinc/01/56/20/392015620.db2.gz COOAHGPBGVYKLJ-QWRGUYRKSA-N 1 0 263.341 1.231 40 0 CDABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)CC ZINC000242425505 393062886 /nfs/dbraw/zinc/06/28/86/393062886.db2.gz BLWJLKXJNKQTKR-RRFJBIMHSA-N 1 0 297.420 1.569 40 0 CDABRO NC(=O)[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004769362 170013926 /nfs/dbraw/zinc/01/39/26/170013926.db2.gz YSDMBLLTRZYVKV-NSHDSACASA-N 1 0 257.337 1.865 40 0 CDABRO COc1cccc(O[C@@H](C)C(=O)NCCC[NH+](C)C)c1 ZINC000020456632 171208281 /nfs/dbraw/zinc/20/82/81/171208281.db2.gz VTNPOSSAULORDV-LBPRGKRZSA-N 1 0 280.368 1.530 40 0 CDABRO Cc1cccc(O[C@H](C)C(=O)NCC[NH+](C)C)c1C ZINC000020460580 171209708 /nfs/dbraw/zinc/20/97/08/171209708.db2.gz NOLRCWSQOUQODR-CYBMUJFWSA-N 1 0 264.369 1.749 40 0 CDABRO [NH3+]CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 ZINC000022009158 171348735 /nfs/dbraw/zinc/34/87/35/171348735.db2.gz NKOBWHOGNBPTDO-NSHDSACASA-N 1 0 259.309 1.320 40 0 in-vitro CDABRO CC[C@](O)(C[NH3+])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072208078 176342953 /nfs/dbraw/zinc/34/29/53/176342953.db2.gz XVTLGSGBZVAHQK-RISCZKNCSA-N 1 0 272.389 1.733 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@](C)(c3cc[nH]n3)C2)cn1 ZINC000072364284 176378847 /nfs/dbraw/zinc/37/88/47/176378847.db2.gz JYTCRLPQZJNMRE-AWEZNQCLSA-N 1 0 259.357 1.697 40 0 CDABRO CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCN1Cc1ccccc1 ZINC000072367727 176382264 /nfs/dbraw/zinc/38/22/64/176382264.db2.gz ZLGDQZYGPPOKDH-HNNXBMFYSA-N 1 0 275.396 1.327 40 0 CDABRO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072369724 176383875 /nfs/dbraw/zinc/38/38/75/176383875.db2.gz DJBQCHLLMLJBCP-AWEZNQCLSA-N 1 0 271.368 1.816 40 0 CDABRO CCN(Cc1ccccc1Br)C(=O)C[NH3+] ZINC000076710927 177067634 /nfs/dbraw/zinc/06/76/34/177067634.db2.gz AJCSUKRQTQRUNZ-UHFFFAOYSA-N 1 0 271.158 1.756 40 0 CDABRO CN1CC[NH+]([C@H]2CCCc3ccccc3[C@@H]2O)CC1 ZINC000019366347 277111885 /nfs/dbraw/zinc/11/18/85/277111885.db2.gz PKTNMCFYIQOHGV-HOTGVXAUSA-N 1 0 260.381 1.672 40 0 CDABRO COC[C@H]1CN(C(C)=O)CC[N@H+](Cc2cccnc2)C1 ZINC000072343690 277254439 /nfs/dbraw/zinc/25/44/39/277254439.db2.gz NWDDOVJCBCFEEW-OAHLLOKOSA-N 1 0 277.368 1.008 40 0 CDABRO CC(C)CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170380635 277354882 /nfs/dbraw/zinc/35/48/82/277354882.db2.gz JURUQWLBAHHHDR-UHFFFAOYSA-N 1 0 297.443 1.574 40 0 CDABRO COc1ccc(N2CC[C@@]3(CCC[NH2+]C3)C2=O)cc1 ZINC000044136522 277909213 /nfs/dbraw/zinc/90/92/13/277909213.db2.gz ZTWKARKFXALKDE-OAHLLOKOSA-N 1 0 260.337 1.802 40 0 CDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1nccc2ccccc21 ZINC000054369281 278837907 /nfs/dbraw/zinc/83/79/07/278837907.db2.gz QQXWEBHQSRQBPV-LLVKDONJSA-N 1 0 255.321 1.669 40 0 CDABRO CNC(=O)C(C)(C)C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000183835711 290347354 /nfs/dbraw/zinc/34/73/54/290347354.db2.gz INYCXPNRCBDPPO-SRVKXCTJSA-N 1 0 268.401 1.552 40 0 CDABRO O=C([O-])COc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000062718507 327915260 /nfs/dbraw/zinc/91/52/60/327915260.db2.gz FYWQVOZNRKKQDI-UHFFFAOYSA-N 1 0 278.352 1.239 40 0 CDABRO COc1cc(OC)c([C@@H]2C[C@]2(C[NH3+])CO)c(OC)c1 ZINC000062713419 522832762 /nfs/dbraw/zinc/83/27/62/522832762.db2.gz VKJXCZRLYWBQEZ-HZMBPMFUSA-N 1 0 267.325 1.137 40 0 CDABRO Cn1cc(-c2cnn3c2nc([C@@H]2CCC[NH2+]C2)cc3N)cn1 ZINC000066252377 527137786 /nfs/dbraw/zinc/13/77/86/527137786.db2.gz XSORFODKYDJTGR-SNVBAGLBSA-N 1 0 297.366 1.179 40 0 CDABRO COc1ccc(NC(=O)C2CC[NH+](C)CC2)c(OC)c1 ZINC000074713374 567903700 /nfs/dbraw/zinc/90/37/00/567903700.db2.gz ZZVAKTRRGZTDBU-UHFFFAOYSA-N 1 0 278.352 1.984 40 0 CDABRO CC(C)(C)OC1CC([NH+]2CCC3(CCNC3=O)CC2)C1 ZINC000872092139 695694732 /nfs/dbraw/zinc/69/47/32/695694732.db2.gz AMFKVNJLLAYCII-UHFFFAOYSA-N 1 0 280.412 1.935 40 0 CDABRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3CC2CC2)n1 ZINC000096055768 185076576 /nfs/dbraw/zinc/07/65/76/185076576.db2.gz CZWLVAICGIJEEN-JKSUJKDBSA-N 1 0 285.391 1.975 40 0 CDABRO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccnc2)O1 ZINC000096057474 185077749 /nfs/dbraw/zinc/07/77/49/185077749.db2.gz GLBZFVWSHDPSHY-RBSFLKMASA-N 1 0 289.379 1.292 40 0 CDABRO Cn1nnc2c1[C@@H](COCC1CC1)C[N@H+](CC1CC1)C2 ZINC000096060720 185082565 /nfs/dbraw/zinc/08/25/65/185082565.db2.gz BJCIWIXYGGYKOH-CYBMUJFWSA-N 1 0 276.384 1.551 40 0 CDABRO Cn1cccc1CN1CC[N@@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000096063756 185083551 /nfs/dbraw/zinc/08/35/51/185083551.db2.gz QBTWMPVNQDDWLQ-DLBZAZTESA-N 1 0 289.423 1.710 40 0 CDABRO C[C@H]1C[NH+](CCCCNC(=O)c2cscn2)C[C@H](C)O1 ZINC000083026447 178335017 /nfs/dbraw/zinc/33/50/17/178335017.db2.gz FBPYQLNMCGTBDD-RYUDHWBXSA-N 1 0 297.424 1.762 40 0 CDABRO COCc1nnc2n1CCN(Cc1cccnc1)[C@H]2C ZINC000585097019 342211824 /nfs/dbraw/zinc/21/18/24/342211824.db2.gz DVWIOIHTIHGAHV-NSHDSACASA-N 1 0 273.340 1.396 40 0 CDABRO COCC[N@@H+]1CCC[C@@]2(CCC(=O)N2CCF)CC1 ZINC000585100535 342212024 /nfs/dbraw/zinc/21/20/24/342212024.db2.gz MVJSCDIGRWCRIL-CQSZACIVSA-N 1 0 272.364 1.449 40 0 CDABRO C[C@]1(C(=O)N2CCC3(C2)CCCCC3)C[NH2+]CCO1 ZINC000585182314 342232728 /nfs/dbraw/zinc/23/27/28/342232728.db2.gz UWLLQUFLARPLDJ-CQSZACIVSA-N 1 0 266.385 1.548 40 0 CDABRO c1cnc(NC[C@@H]2CCC3(C[NH+](CC4CC4)C3)OC2)nc1 ZINC000253592546 362440859 /nfs/dbraw/zinc/44/08/59/362440859.db2.gz WXWQWLFJFGQSJB-AWEZNQCLSA-N 1 0 288.395 1.780 40 0 CDABRO CCOc1ccc2c(c1CN1CC[NH2+]CC1)OCC2=O ZINC000256049467 345289216 /nfs/dbraw/zinc/28/92/16/345289216.db2.gz ABDBBJPAXZAISZ-UHFFFAOYSA-N 1 0 276.336 1.066 40 0 CDABRO Cn1ccnc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[NH2+]2 ZINC000257291031 362584475 /nfs/dbraw/zinc/58/44/75/362584475.db2.gz QFHBYEFUBJSODP-JFILPPLUSA-N 1 0 288.395 1.555 40 0 CDABRO O=C1N(Cc2ccccc2F)CCN1C1CC[NH2+]CC1 ZINC000091502574 180175443 /nfs/dbraw/zinc/17/54/43/180175443.db2.gz ZEEVKYPULDLZDZ-UHFFFAOYSA-N 1 0 277.343 1.815 40 0 CDABRO COc1ccc(C[C@H](C)CN(C)C(=O)[C@@H](C)[NH3+])cc1 ZINC000158072219 188355921 /nfs/dbraw/zinc/35/59/21/188355921.db2.gz OJNXTMLMAPIJER-NWDGAFQWSA-N 1 0 264.369 1.679 40 0 CDABRO COc1cc(OC)cc([C@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000035105604 356004977 /nfs/dbraw/zinc/00/49/77/356004977.db2.gz SZEXTGUURAXLBJ-HSMVNMDESA-N 1 0 294.395 1.813 40 0 CDABRO CN(C(=O)OCc1ccccc1)[C@H]1CCC[N@H+](CCO)C1 ZINC000079410960 356993101 /nfs/dbraw/zinc/99/31/01/356993101.db2.gz DOHVETKXYNZRRL-HNNXBMFYSA-N 1 0 292.379 1.712 40 0 CDABRO O=C(NC[C@@H]1CC[N@@H+](CCO)C1)OCc1ccccc1 ZINC000079410867 356993876 /nfs/dbraw/zinc/99/38/76/356993876.db2.gz QDJUYSXULYHLRU-AWEZNQCLSA-N 1 0 278.352 1.227 40 0 CDABRO COc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=[NH2+])C2)cc1 ZINC000083767570 357106903 /nfs/dbraw/zinc/10/69/03/357106903.db2.gz LYDNYLCXJCPWLV-JTQLQIEISA-N 1 0 297.380 1.032 40 0 CDABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cccnc2)C1 ZINC000046967435 357151126 /nfs/dbraw/zinc/15/11/26/357151126.db2.gz ROMNNZSYXKYKQS-CYBMUJFWSA-N 1 0 261.369 1.933 40 0 CDABRO [NH3+]C1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000096517260 357522219 /nfs/dbraw/zinc/52/22/19/357522219.db2.gz WYBUJBDNSQUOAM-UHFFFAOYSA-N 1 0 270.336 1.160 40 0 CDABRO O=CN1CC[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000089212481 358051379 /nfs/dbraw/zinc/05/13/79/358051379.db2.gz NOIYSRSUNGFIKY-LLVKDONJSA-N 1 0 269.142 1.552 40 0 CDABRO c1ccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161620 358711013 /nfs/dbraw/zinc/71/10/13/358711013.db2.gz VLCATNIEXPNVJW-IJEWVQPXSA-N 1 0 273.380 1.234 40 0 CDABRO c1ccc(CN2C[C@@H]3C[N@H+]([C@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161622 358711373 /nfs/dbraw/zinc/71/13/73/358711373.db2.gz VLCATNIEXPNVJW-LZWOXQAQSA-N 1 0 273.380 1.234 40 0 CDABRO COc1ccccc1C[NH2+]C[C@@H]1COCc2c1cnn2C ZINC000096197693 358715932 /nfs/dbraw/zinc/71/59/32/358715932.db2.gz HEVOOUSYVRDCEH-CYBMUJFWSA-N 1 0 287.363 1.832 40 0 CDABRO C[NH+](C)[C@@H]1CCN(S(C)(=O)=O)[C@H]1Cc1ccccc1 ZINC000096200805 358718509 /nfs/dbraw/zinc/71/85/09/358718509.db2.gz RZVQLOJAYUNXKI-KGLIPLIRSA-N 1 0 282.409 1.193 40 0 CDABRO COCC[N@@H+]1CCC[C@@]12CCCN(c1nncs1)C2 ZINC000096203234 358719225 /nfs/dbraw/zinc/71/92/25/358719225.db2.gz VLCBRYUHASKOTF-CYBMUJFWSA-N 1 0 282.413 1.619 40 0 CDABRO C[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCc3cccs3)OC[C@H]2C1 ZINC000096209094 358720261 /nfs/dbraw/zinc/72/02/61/358720261.db2.gz CTDPNSCLRYVHQP-MRVWCRGKSA-N 1 0 294.420 1.721 40 0 CDABRO CC(C)[N@@H+]1C[C@@H]2C[C@@H](CC(=O)N3CCCCO3)O[C@@H]2C1 ZINC000096219395 358722179 /nfs/dbraw/zinc/72/21/79/358722179.db2.gz MJSRLBXJNKYAIU-MELADBBJSA-N 1 0 282.384 1.428 40 0 CDABRO Cn1cc(N2CC[C@@H]3C[N@H+](CC4CC4)C[C@@H]3C2=O)cn1 ZINC000096249146 358726900 /nfs/dbraw/zinc/72/69/00/358726900.db2.gz HVSBAXWWJADGDR-OCCSQVGLSA-N 1 0 274.368 1.115 40 0 CDABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](CC4CC4)C[C@@H]32)C(=O)N1C ZINC000096261590 358729556 /nfs/dbraw/zinc/72/95/56/358729556.db2.gz OOUGIUPWPVBXFL-DVOMOZLQSA-N 1 0 275.396 1.758 40 0 CDABRO O=C(NCc1ccccc1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096268903 358731836 /nfs/dbraw/zinc/73/18/36/358731836.db2.gz SAWZJMAESUKZBX-AWEZNQCLSA-N 1 0 274.364 1.604 40 0 CDABRO C[C@H](O)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000195542347 189678108 /nfs/dbraw/zinc/67/81/08/189678108.db2.gz IGHSFRYLJWTOAE-CYUUQNCZSA-N 1 0 280.412 1.527 40 0 CDABRO COCC[N@@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000075927062 366927807 /nfs/dbraw/zinc/92/78/07/366927807.db2.gz ASLVMIDLLVDEDE-VIFPVBQESA-N 1 0 268.279 1.023 40 0 CDABRO CCN(C(C)=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079417991 284263168 /nfs/dbraw/zinc/26/31/68/284263168.db2.gz SYJXTMADJWQXPQ-MCIONIFRSA-N 1 0 283.416 1.266 40 0 CDABRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccnc(C2CC2)c1 ZINC000333344096 205236310 /nfs/dbraw/zinc/23/63/10/205236310.db2.gz YUPXSDMHLIOWJR-ZDUSSCGKSA-N 1 0 259.353 1.829 40 0 CDABRO COCC[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000049138611 373981421 /nfs/dbraw/zinc/98/14/21/373981421.db2.gz BOCNJDKKEGMLHI-UHFFFAOYSA-N 1 0 276.380 1.836 40 0 CDABRO Nc1cc(CC[C@H]2CN(c3cnccn3)CCO2)cc[nH+]1 ZINC000257320804 374421571 /nfs/dbraw/zinc/42/15/71/374421571.db2.gz VYSYCQUXKRRWPK-ZDUSSCGKSA-N 1 0 285.351 1.292 40 0 CDABRO COC(C[N@@H+]1CCC[C@@H]1c1cnn(C)c1C)OC ZINC000162171718 375289153 /nfs/dbraw/zinc/28/91/53/375289153.db2.gz WTOVRXXFIRGPHY-GFCCVEGCSA-N 1 0 253.346 1.484 40 0 CDABRO Cc1c(CNCCC[NH+](C)C)cnn1CC(F)F ZINC000256050624 190002924 /nfs/dbraw/zinc/00/29/24/190002924.db2.gz FVPWCXQZQQHOOP-UHFFFAOYSA-N 1 0 260.332 1.498 40 0 CDABRO CCOCCC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256050335 190003092 /nfs/dbraw/zinc/00/30/92/190003092.db2.gz DQQLYVXGENALJA-UHFFFAOYSA-N 1 0 265.279 1.955 40 0 CDABRO COc1cc(C[NH2+]Cc2ccnn2CCF)ccc1O ZINC000256052044 190004012 /nfs/dbraw/zinc/00/40/12/190004012.db2.gz LRQDOUVFVPOWQL-UHFFFAOYSA-N 1 0 279.315 1.857 40 0 CDABRO C[C@]12CCCC[N@H+](Cc3cnccn3)[C@H]1CCCC(=O)N2 ZINC000257201270 190010560 /nfs/dbraw/zinc/01/05/60/190010560.db2.gz AGYYSVBRQKMDID-HOCLYGCPSA-N 1 0 288.395 1.890 40 0 CDABRO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000257210846 190012086 /nfs/dbraw/zinc/01/20/86/190012086.db2.gz BWJSMFJFSYEBDH-LSDHHAIUSA-N 1 0 276.380 1.669 40 0 CDABRO CC(=O)NC1CCC([NH2+]C[C@](C)(O)c2ccc(C)o2)CC1 ZINC000133065177 375680039 /nfs/dbraw/zinc/68/00/39/375680039.db2.gz UWJVGGLTLMTQPI-XUJLQICISA-N 1 0 294.395 1.832 40 0 CDABRO C[C@@H](NC(=O)C1C[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000257212051 190013004 /nfs/dbraw/zinc/01/30/04/190013004.db2.gz CBSAHGLPEJJIBN-SNVBAGLBSA-N 1 0 260.337 1.408 40 0 CDABRO CC(C)C[N@@H+]1CCC[C@@H](Cc2cc(C(N)=O)ncn2)CC1 ZINC000257214526 190013296 /nfs/dbraw/zinc/01/32/96/190013296.db2.gz CMIOWPLMHKAPIC-CYBMUJFWSA-N 1 0 290.411 1.876 40 0 CDABRO O=C(Nc1ccccn1)c1cnc([C@H]2CCC[NH2+]2)cn1 ZINC000257228519 190016284 /nfs/dbraw/zinc/01/62/84/190016284.db2.gz FUDZAWRBICIGPG-SNVBAGLBSA-N 1 0 269.308 1.548 40 0 CDABRO Cc1cncc(C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000257233343 190017025 /nfs/dbraw/zinc/01/70/25/190017025.db2.gz GOWSCXNVXIPUEY-OAHLLOKOSA-N 1 0 288.395 1.585 40 0 CDABRO COc1ccccc1NC(=O)[C@@H]1C[NH2+]Cc2cn(C)nc21 ZINC000257261570 190022709 /nfs/dbraw/zinc/02/27/09/190022709.db2.gz LHXOOTRXGVDWJJ-LLVKDONJSA-N 1 0 286.335 1.254 40 0 CDABRO Cc1ccn(CCC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000257274335 190024979 /nfs/dbraw/zinc/02/49/79/190024979.db2.gz NKOFFLJPVCJEFW-INIZCTEOSA-N 1 0 298.390 1.755 40 0 CDABRO Cn1nccc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257293191 190028417 /nfs/dbraw/zinc/02/84/17/190028417.db2.gz QOMNPORDISITQB-AWEZNQCLSA-N 1 0 270.336 1.207 40 0 CDABRO CC[NH+]1CCC(N2CCO[C@H](c3cnccn3)C2)CC1 ZINC000257296163 190028596 /nfs/dbraw/zinc/02/85/96/190028596.db2.gz RBMJMWLDIYVRRY-HNNXBMFYSA-N 1 0 276.384 1.334 40 0 CDABRO Cc1c[nH]c([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000257311302 190032180 /nfs/dbraw/zinc/03/21/80/190032180.db2.gz UIVUZHWNGHPJDF-CYBMUJFWSA-N 1 0 276.384 1.520 40 0 CDABRO Cc1cc(C[C@@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)[nH]n1 ZINC000191360060 378025270 /nfs/dbraw/zinc/02/52/70/378025270.db2.gz XWIPBEPZLWXVSQ-SNVBAGLBSA-N 1 0 276.388 1.785 40 0 CDABRO C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C[C@H](C)O ZINC000073914302 378857656 /nfs/dbraw/zinc/85/76/56/378857656.db2.gz UCPWUTNGQFGRQB-HZSPNIEDSA-N 1 0 270.417 1.774 40 0 CDABRO Cc1cnc(C(=O)N2CCCC23CC[NH+](C)CC3)cn1 ZINC000096227982 256828190 /nfs/dbraw/zinc/82/81/90/256828190.db2.gz RBTCVLIXQHGWRE-UHFFFAOYSA-N 1 0 274.368 1.485 40 0 CDABRO CCNC(=O)c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC000103521854 390478676 /nfs/dbraw/zinc/47/86/76/390478676.db2.gz IPTWFWHGTIKMJZ-UHFFFAOYSA-N 1 0 273.336 1.010 40 0 CDABRO c1c(-c2noc(C3CC3)n2)nnn1[C@H]1CCC[NH2+]C1 ZINC000096516270 390534440 /nfs/dbraw/zinc/53/44/40/390534440.db2.gz MLCDRDJIBDQABQ-VIFPVBQESA-N 1 0 260.301 1.130 40 0 CDABRO CCOC(=O)[C@@H](N)C1([NH+](CC)CC)CCCCC1 ZINC000072210559 390618356 /nfs/dbraw/zinc/61/83/56/390618356.db2.gz FIEUGAYBYJODAC-GFCCVEGCSA-N 1 0 256.390 1.922 40 0 CDABRO CC[C@H]([NH3+])c1cnc(N2CCN(C=O)CC2)c(C)c1 ZINC000072222645 390623195 /nfs/dbraw/zinc/62/31/95/390623195.db2.gz OTAFUIGYNYOUJP-ZDUSSCGKSA-N 1 0 262.357 1.078 40 0 CDABRO CC[C@H]([NH3+])c1ccc(N2CCN(C(C)=O)CC2)nc1 ZINC000072225640 390626142 /nfs/dbraw/zinc/62/61/42/390626142.db2.gz KNFLNNVTHVBQHU-ZDUSSCGKSA-N 1 0 262.357 1.160 40 0 CDABRO Cc1ccc(N2CC[C@@]3(C2)C[NH2+]CCC3(F)F)nn1 ZINC000096239820 393009931 /nfs/dbraw/zinc/00/99/31/393009931.db2.gz ITRXQOGLRZWQGP-LBPRGKRZSA-N 1 0 268.311 1.610 40 0 CDABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1ccccc1 ZINC000242425504 393062726 /nfs/dbraw/zinc/06/27/26/393062726.db2.gz BLWJLKXJNKQTKR-RBSFLKMASA-N 1 0 297.420 1.569 40 0 CDABRO COCC[NH+]1CCC2(CCCN(C(C)=O)C2)CC1 ZINC000096071794 398069551 /nfs/dbraw/zinc/06/95/51/398069551.db2.gz JUYYRDLXNWAEIB-UHFFFAOYSA-N 1 0 254.374 1.357 40 0 CDABRO CC(C)[NH2+]C[C@@H](O)COc1cccc2c1OCCO2 ZINC000004826116 170024598 /nfs/dbraw/zinc/02/45/98/170024598.db2.gz NLUUGSAKIXOSLG-LLVKDONJSA-N 1 0 267.325 1.196 40 0 CDABRO CC[NH+](CC)CCCN[C@H](C)C(=O)N1CCCCC1 ZINC000004969452 170046788 /nfs/dbraw/zinc/04/67/88/170046788.db2.gz IEBYOGRTJXACPT-CQSZACIVSA-N 1 0 269.433 1.709 40 0 CDABRO C[NH+]1CCC(OC(=O)[C@H](O)C2CCCCC2)CC1 ZINC000006375823 170195780 /nfs/dbraw/zinc/19/57/80/170195780.db2.gz RXMUOBKRTGNEHY-CYBMUJFWSA-N 1 0 255.358 1.565 40 0 CDABRO COc1ccc(CC[NH2+]Cc2ccnn2C)cc1OC ZINC000020312174 171144582 /nfs/dbraw/zinc/14/45/82/171144582.db2.gz KFCJEJUGQYLDEH-UHFFFAOYSA-N 1 0 275.352 1.770 40 0 CDABRO COc1ccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022174867 171370076 /nfs/dbraw/zinc/37/00/76/171370076.db2.gz SDSLHHOEKIAOFX-TYNCELHUSA-N 1 0 264.369 1.804 40 0 CDABRO CC[NH+]1CCN([C@@H](C)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000022585899 171393138 /nfs/dbraw/zinc/39/31/38/171393138.db2.gz IOZKOQRPGKNAOG-KGLIPLIRSA-N 1 0 267.417 1.271 40 0 CDABRO OCCN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000022591380 171393339 /nfs/dbraw/zinc/39/33/39/171393339.db2.gz DRLUQEYOXPMXDQ-UHFFFAOYSA-N 1 0 264.413 1.565 40 0 CDABRO CCN(CC)CC[NH2+]C[C@@H](O)Cc1ccc(OC)cc1 ZINC000022871008 171401978 /nfs/dbraw/zinc/40/19/78/171401978.db2.gz SIJLJNRZMXWXRM-HNNXBMFYSA-N 1 0 280.412 1.530 40 0 CDABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000037363638 173152527 /nfs/dbraw/zinc/15/25/27/173152527.db2.gz RDVDUFLJQMMCNS-ZOWXZIJZSA-N 1 0 276.380 1.731 40 0 CDABRO CC[C@H]1CN(Cc2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039951735 174176169 /nfs/dbraw/zinc/17/61/69/174176169.db2.gz NNXHWDBCJCMQOK-ZDUSSCGKSA-N 1 0 262.353 1.657 40 0 CDABRO Cn1cc(CCC(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000048694351 175444365 /nfs/dbraw/zinc/44/43/65/175444365.db2.gz WYNBHFRHGNIKFH-UHFFFAOYSA-N 1 0 278.400 1.343 40 0 CDABRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000053203176 175544549 /nfs/dbraw/zinc/54/45/49/175544549.db2.gz ARGLFINBGOUYMM-VIFPVBQESA-N 1 0 260.384 1.121 40 0 CDABRO Cn1cc([C@H](O)C[NH3+])c2cc(Br)ccc21 ZINC000071492732 176190872 /nfs/dbraw/zinc/19/08/72/176190872.db2.gz PEMNZWONOMLSEY-LLVKDONJSA-N 1 0 269.142 1.933 40 0 CDABRO Cn1nc(C(=O)N[C@H]2CCCC[C@H]2C[NH+](C)C)cc1Cl ZINC000072246119 176350139 /nfs/dbraw/zinc/35/01/39/176350139.db2.gz HGAABIRSKXVAQJ-QWRGUYRKSA-N 1 0 298.818 1.924 40 0 CDABRO CN(C)C(=O)CCc1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072344283 176372571 /nfs/dbraw/zinc/37/25/71/176372571.db2.gz WPPRVTQVBKXHKN-LBPRGKRZSA-N 1 0 261.369 1.569 40 0 CDABRO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072350493 176373460 /nfs/dbraw/zinc/37/34/60/176373460.db2.gz LSABXAMZAKMHLN-GFCCVEGCSA-N 1 0 257.341 1.780 40 0 CDABRO C[N@@H+]1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377394 176385783 /nfs/dbraw/zinc/38/57/83/176385783.db2.gz PLTQPIJFWJYSAI-NSHDSACASA-N 1 0 270.340 1.819 40 0 CDABRO CSCC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnn(C)c1 ZINC000072398432 176396618 /nfs/dbraw/zinc/39/66/18/176396618.db2.gz RNARPGAFBMOIKB-LSDHHAIUSA-N 1 0 294.468 1.822 40 0 CDABRO CCOc1cc(O[C@@H]2CC[NH2+]C2)nc(SC)n1 ZINC000079439798 177490889 /nfs/dbraw/zinc/49/08/89/177490889.db2.gz MSFZXDNOQCSVBO-MRVPVSSYSA-N 1 0 255.343 1.338 40 0 CDABRO CN(C(=O)C[NH3+])[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242648742 261266756 /nfs/dbraw/zinc/26/67/56/261266756.db2.gz RFPRTBTZPXIJMC-XYPYZODXSA-N 1 0 285.388 1.239 40 0 CDABRO C[NH+](C)CC[C@@H]1CN(C(=O)C2=CCCC2)Cc2ccnn21 ZINC000306134981 276763881 /nfs/dbraw/zinc/76/38/81/276763881.db2.gz ODTKARSDRBXNSP-OAHLLOKOSA-N 1 0 288.395 1.828 40 0 CDABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000082336481 277073068 /nfs/dbraw/zinc/07/30/68/277073068.db2.gz HBGUELWGTQNRHG-NSHDSACASA-N 1 0 276.336 1.738 40 0 CDABRO CC(C)c1ccc(N2CC[C@@H](C[NH3+])S2(=O)=O)cc1 ZINC000222540797 278038875 /nfs/dbraw/zinc/03/88/75/278038875.db2.gz JXMSBFBKNSPWOO-ZDUSSCGKSA-N 1 0 268.382 1.677 40 0 CDABRO CC(C)(C)OC(=O)N1CCC(N2CC([NH3+])C2)CC1 ZINC000039952027 278382318 /nfs/dbraw/zinc/38/23/18/278382318.db2.gz MJQSIWHNAGIFTI-UHFFFAOYSA-N 1 0 255.362 1.029 40 0 CDABRO CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H]([NH3+])C2 ZINC000085344229 278383424 /nfs/dbraw/zinc/38/34/24/278383424.db2.gz WLIBCGKRWZEEDX-NSHDSACASA-N 1 0 270.373 1.751 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000079409115 288873468 /nfs/dbraw/zinc/87/34/68/288873468.db2.gz ISTQEHSNHMVKSU-MNOVXSKESA-N 1 0 285.388 1.239 40 0 CDABRO O=C(c1ccoc1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000579352008 324164766 /nfs/dbraw/zinc/16/47/66/324164766.db2.gz KNUDLIALZXWRKG-OLZOCXBDSA-N 1 0 276.336 1.120 40 0 CDABRO C[NH+](C)[C@H]1COC[C@H]1Oc1ncccc1Br ZINC000585654010 1160096242 /nfs/dbraw/zinc/09/62/42/1160096242.db2.gz BHZBUVSKYSLXFF-VHSXEESVSA-N 1 0 287.157 1.552 40 0 CDABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(Br)cc1 ZINC000062713680 527242234 /nfs/dbraw/zinc/24/22/34/527242234.db2.gz XHBXSBJVSFMDCS-MNOVXSKESA-N 1 0 256.143 1.874 40 0 CDABRO NC(=O)Cc1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1 ZINC000898113281 621325807 /nfs/dbraw/zinc/32/58/07/621325807.db2.gz WOVJOAWPMKIVDG-HNNXBMFYSA-N 1 0 288.391 1.906 40 0 CDABRO O=C(NCCc1cccs1)[C@H]1CO[C@H]2CC[NH2+]C[C@H]2C1 ZINC000096042671 185070912 /nfs/dbraw/zinc/07/09/12/185070912.db2.gz HEZOPVKWOOZVMI-BZPMIXESSA-N 1 0 294.420 1.421 40 0 CDABRO C[N@@H+]1CCC[C@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049061 185072397 /nfs/dbraw/zinc/07/23/97/185072397.db2.gz QYYDLRCTHQLXTR-CQSZACIVSA-N 1 0 250.342 1.576 40 0 CDABRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C(C)C)cc1 ZINC000096054280 185076490 /nfs/dbraw/zinc/07/64/90/185076490.db2.gz HYBXIXPQBOMGOS-SJORKVTESA-N 1 0 290.407 1.989 40 0 CDABRO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096057526 185077271 /nfs/dbraw/zinc/07/72/71/185077271.db2.gz TXGBUXVFABUKEA-JHJVBQTASA-N 1 0 280.393 1.616 40 0 CDABRO c1cc(C[NH2+]C[C@@H]2Cn3nncc3CO2)cs1 ZINC000096060994 185083195 /nfs/dbraw/zinc/08/31/95/185083195.db2.gz ZSMIHRBLEVUVEA-LLVKDONJSA-N 1 0 250.327 1.028 40 0 CDABRO Fc1cnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1 ZINC000096070891 185086680 /nfs/dbraw/zinc/08/66/80/185086680.db2.gz HUCJIGDKYWXBOM-UHFFFAOYSA-N 1 0 262.332 1.538 40 0 CDABRO COCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096100049 185097981 /nfs/dbraw/zinc/09/79/81/185097981.db2.gz DYWNHRKMIVAIBL-GASCZTMLSA-N 1 0 289.379 1.008 40 0 CDABRO Cc1nc(CN2CCO[C@H]3C[N@H+](C)CC[C@H]3C2=O)cs1 ZINC000096107105 185099182 /nfs/dbraw/zinc/09/91/82/185099182.db2.gz AGBBTUGJKRDIIK-OLZOCXBDSA-N 1 0 295.408 1.131 40 0 CDABRO C[C@H]1c2ncc(COCC(=O)N3CCCC3)n2CC[N@H+]1C ZINC000096109815 185100183 /nfs/dbraw/zinc/10/01/83/185100183.db2.gz OWKBJCIEDUOZQE-LBPRGKRZSA-N 1 0 292.383 1.029 40 0 CDABRO CNC(=O)C[C@@H]1C[N@H+](CC2CCCC2)Cc2ccnn21 ZINC000585112115 342213367 /nfs/dbraw/zinc/21/33/67/342213367.db2.gz LOCLQGDQFIVLDR-CQSZACIVSA-N 1 0 276.384 1.566 40 0 CDABRO Fc1cccnc1OC[C@@H]1CCn2cncc2C[NH2+]1 ZINC000585098578 342212046 /nfs/dbraw/zinc/21/20/46/342212046.db2.gz ZLANUOPAZPAQBW-JTQLQIEISA-N 1 0 262.288 1.358 40 0 CDABRO CCCC[N@@H+]1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585295421 342260759 /nfs/dbraw/zinc/26/07/59/342260759.db2.gz YVXXGJSTFYUPBN-BZUAXINKSA-N 1 0 263.381 1.916 40 0 CDABRO C[NH2+]CC(=O)N1CC[C@H](Cc2cccc(C)c2)[C@H](OC)C1 ZINC000585278219 342256863 /nfs/dbraw/zinc/25/68/63/342256863.db2.gz NLDHPJURWUFHFV-HZPDHXFCSA-N 1 0 290.407 1.620 40 0 CDABRO C[NH2+]CC(=O)N1CC[C@H](Cc2cccc(C)c2)[C@@H](OC)C1 ZINC000585278218 342256880 /nfs/dbraw/zinc/25/68/80/342256880.db2.gz NLDHPJURWUFHFV-CVEARBPZSA-N 1 0 290.407 1.620 40 0 CDABRO O[C@@]1(COc2ccc(F)cc2)COCC[N@@H+](C2CCC2)C1 ZINC000585284071 342258608 /nfs/dbraw/zinc/25/86/08/342258608.db2.gz UQASGQMKJPAYPA-MRXNPFEDSA-N 1 0 295.354 1.820 40 0 CDABRO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCO[C@H](CO)C1 ZINC000221363674 342301842 /nfs/dbraw/zinc/30/18/42/342301842.db2.gz KCTJGCIJPLHBAV-DOMZBBRYSA-N 1 0 267.344 1.840 40 0 CDABRO CN(C)C(=O)OCCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000158911428 342448437 /nfs/dbraw/zinc/44/84/37/342448437.db2.gz NEHDMXZKXPCLGZ-MRXNPFEDSA-N 1 0 292.379 1.932 40 0 CDABRO CCC(=O)Nc1cc(N)ccc1N1CC[NH+](CC)CC1 ZINC000226258289 136478595 /nfs/dbraw/zinc/47/85/95/136478595.db2.gz XZRDBAPIYSQSDL-UHFFFAOYSA-N 1 0 276.384 1.759 40 0 CDABRO OC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@@H]1O ZINC000107286175 186165479 /nfs/dbraw/zinc/16/54/79/186165479.db2.gz OLNZAZVQTPDZEU-NDMJEZRESA-N 1 0 257.280 1.186 40 0 CDABRO Cc1nc([C@H]2CCC[NH2+]C2)ncc1C(=O)NC(C)(C)C ZINC000019766850 351349404 /nfs/dbraw/zinc/34/94/04/351349404.db2.gz LCCSAXZRJXIGEL-NSHDSACASA-N 1 0 276.384 1.780 40 0 CDABRO O=C(c1ccccc1Cl)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320945 358470521 /nfs/dbraw/zinc/47/05/21/358470521.db2.gz UCQTWYBNCMWYJT-UWVGGRQHSA-N 1 0 250.729 1.631 40 0 CDABRO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](CC)CO)cc1 ZINC000002705569 355978666 /nfs/dbraw/zinc/97/86/66/355978666.db2.gz QSCNSJFTLJKABL-UONOGXRCSA-N 1 0 295.379 1.380 40 0 CDABRO C[C@@H](c1nnnn1C1CCCCC1)N1CCN(C)CC1 ZINC000020098532 356524574 /nfs/dbraw/zinc/52/45/74/356524574.db2.gz CNMNUQSFECXAJE-LBPRGKRZSA-N 1 0 278.404 1.487 40 0 CDABRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000079407834 356991193 /nfs/dbraw/zinc/99/11/93/356991193.db2.gz YKHCEYSZRUBHOJ-NSHDSACASA-N 1 0 258.362 1.358 40 0 CDABRO CN(CC1CCN(C(=O)C[NH3+])CC1)C(=O)OC(C)(C)C ZINC000079409088 356992359 /nfs/dbraw/zinc/99/23/59/356992359.db2.gz KISUFWKPTAMETL-UHFFFAOYSA-N 1 0 285.388 1.051 40 0 CDABRO Cc1cccc(OCC(=O)NC2CC[NH+](C)CC2)c1 ZINC000047829359 357165330 /nfs/dbraw/zinc/16/53/30/357165330.db2.gz NDRFHCKYIFXBQA-UHFFFAOYSA-N 1 0 262.353 1.584 40 0 CDABRO COC[C@H]1[NH2+]CCc2cnn(CC3CCOCC3)c21 ZINC000306134416 357253865 /nfs/dbraw/zinc/25/38/65/357253865.db2.gz NMSIVUGHBABGGM-CYBMUJFWSA-N 1 0 265.357 1.143 40 0 CDABRO COc1ccc(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000027931970 357277974 /nfs/dbraw/zinc/27/79/74/357277974.db2.gz RDIRRJSJANXWES-CQSZACIVSA-N 1 0 274.364 1.544 40 0 CDABRO O=C(Nc1ccccn1)c1cnc([C@@H]2CCC[NH2+]2)cn1 ZINC000257228518 295956612 /nfs/dbraw/zinc/95/66/12/295956612.db2.gz FUDZAWRBICIGPG-JTQLQIEISA-N 1 0 269.308 1.548 40 0 CDABRO CN(Cc1ccco1)[C@@H]1C[N@H+](C)C[C@@H]2CCCO[C@H]12 ZINC000096040675 358706193 /nfs/dbraw/zinc/70/61/93/358706193.db2.gz URRCVSPRSFPYPJ-CFVMTHIKSA-N 1 0 264.369 1.821 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096185769 358713711 /nfs/dbraw/zinc/71/37/11/358713711.db2.gz MBCWXUVGZSTPDH-NFAWXSAZSA-N 1 0 294.420 1.611 40 0 CDABRO CC(=O)N1CCOC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096202183 358719525 /nfs/dbraw/zinc/71/95/25/358719525.db2.gz OEENMNRZLVWGHZ-HNNXBMFYSA-N 1 0 294.420 1.819 40 0 CDABRO COC[C@H]1CCC2(CCN(C(=O)C3CCC3)CC2)[N@@H+]1C ZINC000096209337 358720996 /nfs/dbraw/zinc/72/09/96/358720996.db2.gz KJCVVQYWHGJUIR-CQSZACIVSA-N 1 0 280.412 1.888 40 0 CDABRO O=C1CCC2(CC[NH+](C[C@H]3CCOC3)CC2)N1CC1CC1 ZINC000096228110 358723805 /nfs/dbraw/zinc/72/38/05/358723805.db2.gz ADGXDUCHNYZXIB-OAHLLOKOSA-N 1 0 292.423 1.890 40 0 CDABRO CCN(C)c1ncnc2c1CC[N@@H+](C1CCOCC1)CC2 ZINC000096255813 358728776 /nfs/dbraw/zinc/72/87/76/358728776.db2.gz BMQGAHPWNLVESL-UHFFFAOYSA-N 1 0 290.411 1.512 40 0 CDABRO [NH3+]CCc1nnc2ccc(-c3ccc(F)cc3)nn21 ZINC000058021801 366459386 /nfs/dbraw/zinc/45/93/86/366459386.db2.gz BCUACSDOHAWXAK-UHFFFAOYSA-N 1 0 257.272 1.432 40 0 CDABRO O=C([C@H]1CCCC[N@@H+]1C[C@@H]1CO1)N1CCCCC1 ZINC000095097825 366523243 /nfs/dbraw/zinc/52/32/43/366523243.db2.gz WVWZEJFUJALBRB-CHWSQXEVSA-N 1 0 252.358 1.252 40 0 CDABRO [NH3+]C[C@@H]1CCN(Cc2c(F)cccc2Cl)S1(=O)=O ZINC000222538057 359351874 /nfs/dbraw/zinc/35/18/74/359351874.db2.gz AKCYOOCGHXQSNE-QMMMGPOBSA-N 1 0 292.763 1.342 40 0 CDABRO [NH3+]C[C@H]1CCN(c2cccc3ccccc32)S1(=O)=O ZINC000222545490 359352834 /nfs/dbraw/zinc/35/28/34/359352834.db2.gz OKJMFAPYYFWCGT-GFCCVEGCSA-N 1 0 276.361 1.707 40 0 CDABRO CSc1ccccc1NC(=O)CN1CC[C@H]([NH3+])C1 ZINC000050242701 359403401 /nfs/dbraw/zinc/40/34/01/359403401.db2.gz DHDWLTLOVAJINI-JTQLQIEISA-N 1 0 265.382 1.380 40 0 CDABRO CCS(=O)(=O)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019851965 359470900 /nfs/dbraw/zinc/47/09/00/359470900.db2.gz YEUSQQDGKPZLMN-HZSPNIEDSA-N 1 0 284.425 1.166 40 0 CDABRO [NH3+]CCNS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000225477321 283439633 /nfs/dbraw/zinc/43/96/33/283439633.db2.gz DOMARYSAEIHIQZ-UHFFFAOYSA-N 1 0 276.361 1.591 40 0 CDABRO C[NH+](C)CCNC(=O)c1ccc2nc(Cl)oc2c1 ZINC000225975132 359637099 /nfs/dbraw/zinc/63/70/99/359637099.db2.gz SHZBMSYMHQANPW-UHFFFAOYSA-N 1 0 267.716 1.773 40 0 CDABRO CCOC(=O)[C@@H](C[NH2+]C)Cc1cccc(OC)c1 ZINC000012649797 361258159 /nfs/dbraw/zinc/25/81/59/361258159.db2.gz FRQIOTRZRKCSPQ-GFCCVEGCSA-N 1 0 251.326 1.636 40 0 CDABRO CC(C)([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000236795904 361375045 /nfs/dbraw/zinc/37/50/45/361375045.db2.gz LLJJVYCUCFJTRK-SNVBAGLBSA-N 1 0 291.178 1.880 40 0 CDABRO CCCS(=O)(=O)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000054991963 373763096 /nfs/dbraw/zinc/76/30/96/373763096.db2.gz DCZUBCJPWUAHBS-MJBXVCDLSA-N 1 0 286.441 1.532 40 0 CDABRO C[C@H](C[NH2+][C@@]1(CO)CCOC1)c1ccc(F)cc1 ZINC000225480915 374494420 /nfs/dbraw/zinc/49/44/20/374494420.db2.gz IDLKHXRAEOPYAM-BXUZGUMPSA-N 1 0 253.317 1.670 40 0 CDABRO CC[NH+](CC)C[C@@H]1CO[C@@H]2CN(c3ncc(F)cn3)C[C@H]12 ZINC000306126214 374967893 /nfs/dbraw/zinc/96/78/93/374967893.db2.gz DPRPIGWHHROKTE-MRVWCRGKSA-N 1 0 294.374 1.409 40 0 CDABRO C[NH+](C)[C@H](CNc1ccc2nnnn2n1)c1cccs1 ZINC000057369470 375489202 /nfs/dbraw/zinc/48/92/02/375489202.db2.gz WCDIDERPZSIQCB-SECBINFHSA-N 1 0 289.368 1.296 40 0 CDABRO Cc1c(C[NH2+]Cc2cnn(C)c2)cnn1CC(F)F ZINC000256050603 190003086 /nfs/dbraw/zinc/00/30/86/190003086.db2.gz FRXOMIMSLGPSLR-UHFFFAOYSA-N 1 0 269.299 1.480 40 0 CDABRO CN(C)c1nccc(C2C[NH+](CC3(O)CCCCC3)C2)n1 ZINC000257208470 190012449 /nfs/dbraw/zinc/01/24/49/190012449.db2.gz BMHGJEBZJZHKIK-UHFFFAOYSA-N 1 0 290.411 1.637 40 0 CDABRO Cc1nn(C)c(C)c1-c1cnc([C@@H]2CCC[NH2+]C2)cn1 ZINC000257222632 190014536 /nfs/dbraw/zinc/01/45/36/190014536.db2.gz DUCITNFZCYRZHK-GFCCVEGCSA-N 1 0 271.368 1.961 40 0 CDABRO COC[C@@]1([NH3+])C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218004753 375775905 /nfs/dbraw/zinc/77/59/05/375775905.db2.gz XMBNVDRJNGNVCA-MNOVXSKESA-N 1 0 275.757 1.230 40 0 CDABRO COC[C@@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218249741 375810308 /nfs/dbraw/zinc/81/03/08/375810308.db2.gz LHCVXGXKSRWKQN-RDBSUJKOSA-N 1 0 283.393 1.097 40 0 CDABRO C[NH+]1CCC(Cc2cnc(-c3cc[nH]n3)cn2)CC1 ZINC000257296617 190028796 /nfs/dbraw/zinc/02/87/96/190028796.db2.gz RDOOAQHYHRSWNM-UHFFFAOYSA-N 1 0 257.341 1.751 40 0 CDABRO COCCC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000257255439 284845726 /nfs/dbraw/zinc/84/57/26/284845726.db2.gz KHMBUQZIZQVSFZ-CQSZACIVSA-N 1 0 278.352 1.205 40 0 CDABRO COc1cc([C@@H]2CN(C)C[C@H]2[NH3+])cc(OC)c1OC ZINC000242495160 256699081 /nfs/dbraw/zinc/69/90/81/256699081.db2.gz FXPFWVISNUDSLX-WDEREUQCSA-N 1 0 266.341 1.069 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000079409527 390421604 /nfs/dbraw/zinc/42/16/04/390421604.db2.gz QDAGZZYGPUZUSQ-WDEREUQCSA-N 1 0 285.388 1.192 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391230 390421744 /nfs/dbraw/zinc/42/17/44/390421744.db2.gz OIXXQBNTIXMFCY-NWDGAFQWSA-N 1 0 299.415 1.582 40 0 CDABRO [NH3+]CCn1cccc1-c1nc(-c2cccnc2)no1 ZINC000096517055 390532020 /nfs/dbraw/zinc/53/20/20/390532020.db2.gz VYYCTKAOFCENJI-UHFFFAOYSA-N 1 0 255.281 1.559 40 0 CDABRO COc1ccc(C2=NC3(CC[NH2+]CC3)N(C)C2=O)cc1 ZINC000096516439 390533979 /nfs/dbraw/zinc/53/39/79/390533979.db2.gz NQGXDQHYHGWVIQ-UHFFFAOYSA-N 1 0 273.336 1.036 40 0 CDABRO CC(C)[NH2+]C[C@@H](O)CN[C@H](C)[C@@H]1COc2ccccc2O1 ZINC000004610571 390966843 /nfs/dbraw/zinc/96/68/43/390966843.db2.gz AANQMDAPDINSQM-IOASZLSFSA-N 1 0 294.395 1.163 40 0 CDABRO [NH3+]C1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000096296161 393174405 /nfs/dbraw/zinc/17/44/05/393174405.db2.gz LWKUDXRZXANQIB-UHFFFAOYSA-N 1 0 260.293 1.524 40 0 biogenic,in-vitro CDABRO Cc1ccc(NC[C@H](O)C[NH3+])c(Br)c1 ZINC000005003985 170053904 /nfs/dbraw/zinc/05/39/04/170053904.db2.gz AOFSWDJNINCPJA-MRVPVSSYSA-N 1 0 259.147 1.489 40 0 CDABRO O=C1CCC(=O)N1OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005382577 170092322 /nfs/dbraw/zinc/09/23/22/170092322.db2.gz GUWLFGRHKJHZOJ-RYUDHWBXSA-N 1 0 266.341 1.332 40 0 CDABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21)C1CC1 ZINC000019346716 170776052 /nfs/dbraw/zinc/77/60/52/170776052.db2.gz CBBVOWNKIILHEA-GFCCVEGCSA-N 1 0 299.378 1.034 40 0 CDABRO CC(C)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661186699 413871010 /nfs/dbraw/zinc/87/10/10/413871010.db2.gz UVQJCQCLKHJVMP-YUMQZZPRSA-N 1 0 259.293 1.302 40 0 CDABRO C[NH+]1CCC(CNC(=O)NCCc2ccccc2)CC1 ZINC000038489539 174142718 /nfs/dbraw/zinc/14/27/18/174142718.db2.gz KERNGDNJICGSGO-UHFFFAOYSA-N 1 0 275.396 1.870 40 0 CDABRO CC(C)[NH+]1CCC(CNS(=O)(=O)c2cccnc2)CC1 ZINC000038582571 174148411 /nfs/dbraw/zinc/14/84/11/174148411.db2.gz JJFZLPNLWJHWKB-UHFFFAOYSA-N 1 0 297.424 1.480 40 0 CDABRO Cc1cc(C(=O)NCCC[NH+](C)C)nc(N2CCCC2)n1 ZINC000072241139 176348675 /nfs/dbraw/zinc/34/86/75/176348675.db2.gz OCYQPYRXYBNOHC-UHFFFAOYSA-N 1 0 291.399 1.067 40 0 CDABRO CNc1cc(C[NH+](C)C)nc([C@H]2CCCCN2C(C)=O)n1 ZINC000072352016 176374536 /nfs/dbraw/zinc/37/45/36/176374536.db2.gz HOCPBCICCGNOMT-CYBMUJFWSA-N 1 0 291.399 1.653 40 0 CDABRO CN(C)C(=O)C[NH+]1CCC(Cc2nccs2)CC1 ZINC000072357211 176376432 /nfs/dbraw/zinc/37/64/32/176376432.db2.gz LIUAZOBKBXKRLQ-UHFFFAOYSA-N 1 0 267.398 1.486 40 0 CDABRO NC(=O)c1cccc(-c2cncc(CC[C@H]3CCC[NH2+]3)n2)c1 ZINC000072365528 176380676 /nfs/dbraw/zinc/38/06/76/176380676.db2.gz JDXUVMTXXNVPIK-CQSZACIVSA-N 1 0 296.374 1.927 40 0 CDABRO NC(=O)C[N@@H+]1CC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000072367886 176382693 /nfs/dbraw/zinc/38/26/93/176382693.db2.gz CJNWREWJJNPTSL-ZDUSSCGKSA-N 1 0 269.348 1.585 40 0 CDABRO C[C@](CO)([NH2+]CC(=O)NCC1CCC1)C1CCCCC1 ZINC000077657051 177291557 /nfs/dbraw/zinc/29/15/57/177291557.db2.gz NWZZQEQTALIGEI-MRXNPFEDSA-N 1 0 282.428 1.824 40 0 CDABRO CCCN(CC(N)=[NH2+])S(=O)(=O)c1ccc(OC)cc1 ZINC000079786068 177558976 /nfs/dbraw/zinc/55/89/76/177558976.db2.gz KOBDOQOWDWDEMU-UHFFFAOYSA-N 1 0 285.369 1.032 40 0 CDABRO CC[NH2+][C@H]1CCOC2(CCN(c3ncccn3)CC2)C1 ZINC000257235252 276271115 /nfs/dbraw/zinc/27/11/15/276271115.db2.gz GXBJNIVGFYHWSA-ZDUSSCGKSA-N 1 0 276.384 1.604 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@H+](CCO)C1 ZINC000079408207 278377435 /nfs/dbraw/zinc/37/74/35/278377435.db2.gz ZIAOAZWYGPMUNF-ZDUSSCGKSA-N 1 0 284.400 1.843 40 0 CDABRO CC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)[C@@H]1CCCO1 ZINC000133667597 280184024 /nfs/dbraw/zinc/18/40/24/280184024.db2.gz XYHPBYKTNMMLEK-CVSAEHQPSA-N 1 0 268.401 1.981 40 0 CDABRO C[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391194 289764108 /nfs/dbraw/zinc/76/41/08/289764108.db2.gz KMGIPIMGCMEZFK-QWRGUYRKSA-N 1 0 285.388 1.239 40 0 CDABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccncc2)n1 ZINC000062717849 327915250 /nfs/dbraw/zinc/91/52/50/327915250.db2.gz DJBFVWUUJZMIAR-UHFFFAOYSA-N 1 0 257.341 1.690 40 0 CDABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000074713395 567903782 /nfs/dbraw/zinc/90/37/82/567903782.db2.gz WPMCGZOOCITXLW-UHFFFAOYSA-N 1 0 276.336 1.754 40 0 CDABRO Cn1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000930079848 728519941 /nfs/dbraw/zinc/51/99/41/728519941.db2.gz XOEZYQHVBBFZMY-LBPRGKRZSA-N 1 0 277.372 1.559 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)CC/C=C/c1ccccc1 ZINC001548448051 969398712 /nfs/dbraw/zinc/39/87/12/969398712.db2.gz JHBRNYDEDNAXRU-BKILABGBSA-N 1 0 274.364 1.583 40 0 CDABRO C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[C@H](C[NH+]1CCCC1)CO2 ZINC000575404331 342451750 /nfs/dbraw/zinc/45/17/50/342451750.db2.gz RUCWSNXROWNORE-KFWWJZLASA-N 1 0 292.423 1.746 40 0 CDABRO c1cc(CN2CCC3(C[NH+](CC4CC4)C3)C2)ccn1 ZINC000096046430 185071416 /nfs/dbraw/zinc/07/14/16/185071416.db2.gz MTFNDCXHRJZAIV-UHFFFAOYSA-N 1 0 257.381 1.999 40 0 CDABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096047494 185072697 /nfs/dbraw/zinc/07/26/97/185072697.db2.gz UFVTZYFUKDRUAI-MRXNPFEDSA-N 1 0 290.411 1.787 40 0 CDABRO CCO[C@H]1C[N@H+](Cc2ccccn2)[C@@H]2CCCO[C@@H]21 ZINC000096057437 185077177 /nfs/dbraw/zinc/07/71/77/185077177.db2.gz VDORPZZEOFCLNV-ILXRZTDVSA-N 1 0 262.353 1.850 40 0 CDABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](CC3CC3)C[C@H]21)N1CCCO1 ZINC000096058306 185078563 /nfs/dbraw/zinc/07/85/63/185078563.db2.gz DIDMPLSVJVIVRX-QLFBSQMISA-N 1 0 294.395 1.287 40 0 CDABRO Fc1ccc(C[NH2+]C[C@H]2Cn3nncc3CO2)cc1 ZINC000096060997 185082404 /nfs/dbraw/zinc/08/24/04/185082404.db2.gz OPKAOEJOPAPVTL-ZDUSSCGKSA-N 1 0 262.288 1.106 40 0 CDABRO C[NH+](C)C[C@]12COC[C@H]1CN(Cc1ccc(F)cc1)C2 ZINC000096108242 185099875 /nfs/dbraw/zinc/09/98/75/185099875.db2.gz PPJNOSWZCAGESI-ZBFHGGJFSA-N 1 0 278.371 1.836 40 0 CDABRO CCn1nccc1-c1cc(C[C@@H]2CCC[NH2+]C2)ncn1 ZINC000585180177 342232542 /nfs/dbraw/zinc/23/25/42/342232542.db2.gz QOEZBRQQGZRQQZ-LBPRGKRZSA-N 1 0 271.368 1.902 40 0 CDABRO CO[C@@H]1COC[C@@H](C[NH2+]Cc2ccccc2Cl)[C@@H]1O ZINC000585285270 342258624 /nfs/dbraw/zinc/25/86/24/342258624.db2.gz AUUGFORVXQTAEL-BNOWGMLFSA-N 1 0 285.771 1.452 40 0 CDABRO COC[C@H]1CC[N@H+](C)C2(CN(Cc3ccccn3)C2)C1 ZINC000248126662 362152682 /nfs/dbraw/zinc/15/26/82/362152682.db2.gz LXWFBLRBMKNSSY-AWEZNQCLSA-N 1 0 275.396 1.624 40 0 CDABRO Cc1ccc(CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000107067009 186159215 /nfs/dbraw/zinc/15/92/15/186159215.db2.gz JPNSYEDSTXZGCG-INIZCTEOSA-N 1 0 287.363 1.510 40 0 CDABRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCN(C)C1=O ZINC000136449214 363079715 /nfs/dbraw/zinc/07/97/15/363079715.db2.gz NNIKQRNRXYDFIM-FZMZJTMJSA-N 1 0 262.353 1.534 40 0 CDABRO C[NH+](C)CCNC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000013672998 356352698 /nfs/dbraw/zinc/35/26/98/356352698.db2.gz NFHGAJKTCPHHAD-UHFFFAOYSA-N 1 0 297.358 1.478 40 0 CDABRO C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014252169 356381979 /nfs/dbraw/zinc/38/19/79/356381979.db2.gz YDTWWPNEGWNGPK-UHFFFAOYSA-N 1 0 272.345 1.198 40 0 CDABRO CCN(CC)CC[NH2+]C[C@H](O)Cc1ccc(OC)cc1 ZINC000019366061 356482903 /nfs/dbraw/zinc/48/29/03/356482903.db2.gz SIJLJNRZMXWXRM-OAHLLOKOSA-N 1 0 280.412 1.530 40 0 CDABRO CN(CC[NH3+])C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079390945 356988714 /nfs/dbraw/zinc/98/87/14/356988714.db2.gz PVRVENGUPAYRLQ-OAHLLOKOSA-N 1 0 291.395 1.678 40 0 CDABRO CCN(C[C@@H]1CC[N@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407981 356990821 /nfs/dbraw/zinc/99/08/21/356990821.db2.gz DZHDEVWNQKHCEV-GFCCVEGCSA-N 1 0 272.389 1.558 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000079407950 356991571 /nfs/dbraw/zinc/99/15/71/356991571.db2.gz IFMLFCNPENGUCS-NEPJUHHUSA-N 1 0 272.389 1.746 40 0 CDABRO CC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079416081 356995167 /nfs/dbraw/zinc/99/51/67/356995167.db2.gz QRRIBLGLNWNCID-OAHLLOKOSA-N 1 0 276.380 1.915 40 0 CDABRO [NH3+][C@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1F ZINC000054967347 357327663 /nfs/dbraw/zinc/32/76/63/357327663.db2.gz JREMPGXODKGFEJ-RYUDHWBXSA-N 1 0 252.289 1.694 40 0 CDABRO CN(Cc1ccnc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000057605177 357362304 /nfs/dbraw/zinc/36/23/04/357362304.db2.gz SJNRVEPWVYTCLK-CYBMUJFWSA-N 1 0 290.388 1.854 40 0 CDABRO C[C@@H]1CN(C(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000067799778 357627651 /nfs/dbraw/zinc/62/76/51/357627651.db2.gz HXZLEGAJVQBZKA-SECBINFHSA-N 1 0 283.169 1.883 40 0 CDABRO CC[C@@H](c1nnnn1CCC(C)C)N1CC[NH+](CC)CC1 ZINC000019500636 358097163 /nfs/dbraw/zinc/09/71/63/358097163.db2.gz PGSZBXKXPCNXDP-AWEZNQCLSA-N 1 0 294.447 1.808 40 0 CDABRO c1coc(C[N@H+]2CCc3ncc(Cn4cncn4)n3CC2)c1 ZINC000096196979 358715847 /nfs/dbraw/zinc/71/58/47/358715847.db2.gz ZDFONVFMDINQLC-UHFFFAOYSA-N 1 0 298.350 1.174 40 0 CDABRO CC(C)C[N@@H+]1CCC[C@]12CCN(C(=O)c1cnccn1)C2 ZINC000096203045 358718792 /nfs/dbraw/zinc/71/87/92/358718792.db2.gz RYSJTUAUVRHMLJ-MRXNPFEDSA-N 1 0 288.395 1.813 40 0 CDABRO OCC[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC000096239819 358724888 /nfs/dbraw/zinc/72/48/88/358724888.db2.gz YEVCYWIWILAQDQ-CYBMUJFWSA-N 1 0 298.337 1.006 40 0 CDABRO COc1ncnc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096255556 358728877 /nfs/dbraw/zinc/72/88/77/358728877.db2.gz XNLCVNPFICMGBJ-UHFFFAOYSA-N 1 0 259.309 1.679 40 0 CDABRO CCOC(=O)[C@@H]1C(C)=C(CN2CCCCC2)[NH2+][C@@H]1C ZINC000101456183 358845785 /nfs/dbraw/zinc/84/57/85/358845785.db2.gz SXJBYKLPPOTSGS-TZMCWYRMSA-N 1 0 266.385 1.917 40 0 CDABRO O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000048892446 359226131 /nfs/dbraw/zinc/22/61/31/359226131.db2.gz AWOVEIRDJDEJAJ-UHFFFAOYSA-N 1 0 276.336 1.631 40 0 CDABRO CC(C)OC(=O)c1ccc(N2CC[NH+](C)CC2)c(N)c1 ZINC000225439297 359589747 /nfs/dbraw/zinc/58/97/47/359589747.db2.gz QZNFPYHFZWWVFB-UHFFFAOYSA-N 1 0 277.368 1.586 40 0 CDABRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](C)Cc1ccccc1 ZINC000132311612 361220624 /nfs/dbraw/zinc/22/06/24/361220624.db2.gz KKEDREBDTMFYQW-CFVMTHIKSA-N 1 0 277.364 1.473 40 0 CDABRO Cc1nc(N2CC[NH+](C)CC2)[nH]c(=O)c1CC(C)C ZINC000008019870 364896895 /nfs/dbraw/zinc/89/68/95/364896895.db2.gz FWRGMLAUZQTVOE-UHFFFAOYSA-N 1 0 264.373 1.029 40 0 CDABRO C[C@@H](O)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000195542342 189677752 /nfs/dbraw/zinc/67/77/52/189677752.db2.gz IGHSFRYLJWTOAE-UNQGMJICSA-N 1 0 280.412 1.527 40 0 CDABRO CS(=O)(=O)CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107902 366983919 /nfs/dbraw/zinc/98/39/19/366983919.db2.gz UHLAUJUTUFGHET-GJZGRUSLSA-N 1 0 297.420 1.619 40 0 CDABRO CCc1nnc2sc(-c3ccc[n+](CC)c3)nn12 ZINC000226774216 189778600 /nfs/dbraw/zinc/77/86/00/189778600.db2.gz YBBCELHDMWPWED-UHFFFAOYSA-N 1 0 260.346 1.723 40 0 CDABRO CN1c2cccnc2CN(Cc2ccoc2)CC[C@H]1CO ZINC000225497520 374554965 /nfs/dbraw/zinc/55/49/65/374554965.db2.gz RLBCPWDTWQHMBS-AWEZNQCLSA-N 1 0 287.363 1.878 40 0 biogenic,in-vitro CDABRO COCC[N@H+]1CCc2nc(-c3ccsc3)nn2CC1 ZINC000306134772 374970428 /nfs/dbraw/zinc/97/04/28/374970428.db2.gz NXUXRIHXCKBHMB-UHFFFAOYSA-N 1 0 278.381 1.511 40 0 CDABRO Cc1cc(C)n(C[C@H](C)NC(=O)CC2CC[NH2+]CC2)n1 ZINC000257198330 190010429 /nfs/dbraw/zinc/01/04/29/190010429.db2.gz ZEUZCQCPJATPSZ-LBPRGKRZSA-N 1 0 278.400 1.394 40 0 CDABRO Cc1[nH]c2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc2c1C ZINC000257198085 190011104 /nfs/dbraw/zinc/01/11/04/190011104.db2.gz SEWMQUWAKCXPED-CQSZACIVSA-N 1 0 273.336 1.712 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2cnn(C)c2)cc1 ZINC000257205317 190011357 /nfs/dbraw/zinc/01/13/57/190011357.db2.gz AYMQDSIUTDLGKP-INIZCTEOSA-N 1 0 286.379 1.575 40 0 CDABRO Cc1cccc(C2(O)CC[NH+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000257206591 190011623 /nfs/dbraw/zinc/01/16/23/190011623.db2.gz BECXQANKSLAAJU-GJZGRUSLSA-N 1 0 277.364 1.038 40 0 CDABRO Cn1ccnc1-c1cncc(C2CC[NH+](C)CC2)n1 ZINC000257239652 190017785 /nfs/dbraw/zinc/01/77/85/190017785.db2.gz HQGLMAHMBYPEGW-UHFFFAOYSA-N 1 0 257.341 1.686 40 0 CDABRO CO[C@H]1C[N@H+](Cc2ccncc2C)C[C@@]12CCCO2 ZINC000257264754 190023194 /nfs/dbraw/zinc/02/31/94/190023194.db2.gz LVXDNCMMABOAJT-GJZGRUSLSA-N 1 0 262.353 1.770 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000257290940 190027446 /nfs/dbraw/zinc/02/74/46/190027446.db2.gz QEZKOYZANUUZHY-CQSZACIVSA-N 1 0 284.306 1.103 40 0 CDABRO CNC(=O)[C@@]1(CCCc2cnccn2)CCC[N@@H+]1C ZINC000257318559 190033839 /nfs/dbraw/zinc/03/38/39/190033839.db2.gz VOLJIRKAVRFYIF-CQSZACIVSA-N 1 0 262.357 1.010 40 0 CDABRO CCn1nc(C)c(C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)c1C ZINC000257334105 190035327 /nfs/dbraw/zinc/03/53/27/190035327.db2.gz YEORICXAJGKYNK-HOTGVXAUSA-N 1 0 293.411 1.636 40 0 CDABRO CCCNc1ncc(C[NH2+]CCCN2CCOCC2)cn1 ZINC000062718466 256720571 /nfs/dbraw/zinc/72/05/71/256720571.db2.gz ZWXQJHJBUPAWIV-UHFFFAOYSA-N 1 0 293.415 1.110 40 0 CDABRO CC[NH+]1CCC2(C[C@@H](Nc3ncccn3)CO2)CC1 ZINC000096221650 256826752 /nfs/dbraw/zinc/82/67/52/256826752.db2.gz ODNFAHLZISDPQK-GFCCVEGCSA-N 1 0 262.357 1.532 40 0 CDABRO [NH3+][C@@H]1CCN(c2cc(C(F)(F)F)nc(C3CC3)n2)C1 ZINC000096516994 390531676 /nfs/dbraw/zinc/53/16/76/390531676.db2.gz AVNZXPBIYJTCFV-MRVPVSSYSA-N 1 0 272.274 1.910 40 0 CDABRO CN1C(=O)C(c2ccc(F)cc2)=N[C@]12CCC[NH2+]C2 ZINC000096516443 390533848 /nfs/dbraw/zinc/53/38/48/390533848.db2.gz SUBVPEQORWRIDO-CQSZACIVSA-N 1 0 261.300 1.167 40 0 CDABRO CC[C@H]([C@H]([NH3+])c1cccc(N)c1)S(=O)(=O)CC ZINC000096524948 390539605 /nfs/dbraw/zinc/53/96/05/390539605.db2.gz KHFGTRUQMISORT-VXGBXAGGSA-N 1 0 256.371 1.482 40 0 CDABRO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000514288581 390882282 /nfs/dbraw/zinc/88/22/82/390882282.db2.gz CWNHBTYVNWMCLU-HIFRSBDPSA-N 1 0 290.338 1.895 40 0 biogenic,in-vitro CDABRO CC(C)NC(=O)[C@H]1C[C@@H]2CC[N@@H+](C3CCCC3)C[C@H]2O1 ZINC000096042684 390912083 /nfs/dbraw/zinc/91/20/83/390912083.db2.gz HZUXKIAWRONXBQ-NWANDNLSSA-N 1 0 280.412 1.933 40 0 CDABRO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)O1 ZINC000096057329 390912419 /nfs/dbraw/zinc/91/24/19/390912419.db2.gz VPCFBQRFXRHOIS-UPJWGTAASA-N 1 0 252.358 1.107 40 0 CDABRO CCn1nccc1-c1cnc(C[C@H]2CC[N@H+](C)C2)cn1 ZINC000257322741 391649552 /nfs/dbraw/zinc/64/95/52/391649552.db2.gz WHEUYIYEKZHEQK-GFCCVEGCSA-N 1 0 271.368 1.854 40 0 CDABRO Cc1ccc(OCC(=O)NCC[NH+](C)C)cc1C ZINC000005547098 170111711 /nfs/dbraw/zinc/11/17/11/170111711.db2.gz DGOBAFKQEPQLHP-UHFFFAOYSA-N 1 0 250.342 1.360 40 0 CDABRO CN(C)c1nc(=[N+](C)Cc2ccccc2)ss1 ZINC000005811637 170142357 /nfs/dbraw/zinc/14/23/57/170142357.db2.gz MFFLDNNUTGNXEK-UHFFFAOYSA-N 1 0 266.415 1.873 40 0 CDABRO Cc1cccc(O[C@@H](C)C(=O)NCC[NH+](C)C)c1C ZINC000020460581 171209269 /nfs/dbraw/zinc/20/92/69/171209269.db2.gz NOLRCWSQOUQODR-ZDUSSCGKSA-N 1 0 264.369 1.749 40 0 CDABRO CNCS(=O)(=O)c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC000021983779 171344644 /nfs/dbraw/zinc/34/46/44/171344644.db2.gz YRZSBHPYAXTOFI-UHFFFAOYSA-N 1 0 295.408 1.223 40 0 CDABRO [NH3+]C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 ZINC000022214366 171374704 /nfs/dbraw/zinc/37/47/04/171374704.db2.gz BWUAYKBWBVGGBH-LBPRGKRZSA-N 1 0 290.285 1.917 40 0 CDABRO C[C@H]1CC2(CCC2)CN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653167735 412105010 /nfs/dbraw/zinc/10/50/10/412105010.db2.gz BJCFLDFLHVWWGM-HUBLWGQQSA-N 1 0 264.369 1.014 40 0 CDABRO COc1cc(OC)c([C@H](C[NH3+])N2CCOCC2)c(OC)c1 ZINC000037376724 173164989 /nfs/dbraw/zinc/16/49/89/173164989.db2.gz PSKRLELIWZGQBO-LBPRGKRZSA-N 1 0 296.367 1.044 40 0 CDABRO O[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1[NH2+]C1CC1 ZINC000043568670 175067475 /nfs/dbraw/zinc/06/74/75/175067475.db2.gz SOMHNIYSAAQPMN-HUUCEWRRSA-N 1 0 282.334 1.652 40 0 CDABRO CN(C)C(=O)[C@]1(CCCc2ccncc2)CCC[NH2+]1 ZINC000072344217 176372520 /nfs/dbraw/zinc/37/25/20/176372520.db2.gz DDGAHZIWGQRYMK-HNNXBMFYSA-N 1 0 261.369 1.615 40 0 CDABRO CC(=O)N1CC[N@@H+](C)C[C@H](COc2ccccc2)C1 ZINC000072374462 176385075 /nfs/dbraw/zinc/38/50/75/176385075.db2.gz PHYBICMTHJIBAE-AWEZNQCLSA-N 1 0 262.353 1.476 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1c(F)cccc1F ZINC000072397607 176394858 /nfs/dbraw/zinc/39/48/58/176394858.db2.gz YBWGFWOFSBBTQN-SDDRHHMPSA-N 1 0 282.334 1.604 40 0 CDABRO C[C@@H](CCn1ncn2c3ccoc3cc2c1=O)[NH2+]C1CC1 ZINC000072397695 176395345 /nfs/dbraw/zinc/39/53/45/176395345.db2.gz BYQZJEPIFHZPHP-JTQLQIEISA-N 1 0 286.335 1.773 40 0 CDABRO CC1(C)O[C@H]2O[C@H](C[NH+]3CCCCCC3)[C@H](O)[C@H]2O1 ZINC000022115913 276157017 /nfs/dbraw/zinc/15/70/17/276157017.db2.gz ARLIKICZPKLEDW-YVECIDJPSA-N 1 0 271.357 1.100 40 0 CDABRO C/C=C/C(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473155 276834852 /nfs/dbraw/zinc/83/48/52/276834852.db2.gz NEGKQGQBHBOVEP-ZABGRMTBSA-N 1 0 268.426 1.992 40 0 CDABRO COC[C@H]1C[N@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096060201 277267312 /nfs/dbraw/zinc/26/73/12/277267312.db2.gz ZENHMLOKIIHUHE-CYBMUJFWSA-N 1 0 279.384 1.392 40 0 CDABRO Cc1c[nH]nc1[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000072364561 280284558 /nfs/dbraw/zinc/28/45/58/280284558.db2.gz FXRPSZBHCRPICW-CYBMUJFWSA-N 1 0 276.384 1.723 40 0 CDABRO C[NH+](C)C[C@@H]1COCCN1C(=O)Cc1ccccc1Cl ZINC000085470105 289203415 /nfs/dbraw/zinc/20/34/15/289203415.db2.gz ANUWSDMQBRZDGN-CYBMUJFWSA-N 1 0 296.798 1.672 40 0 CDABRO CCN(Cc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1)C(C)=O ZINC000152034704 323211359 /nfs/dbraw/zinc/21/13/59/323211359.db2.gz GRIAPAPPFMCZDH-AWEZNQCLSA-N 1 0 289.379 1.603 40 0 CDABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(Br)cc1 ZINC000062713675 527221074 /nfs/dbraw/zinc/22/10/74/527221074.db2.gz XHBXSBJVSFMDCS-GHMZBOCLSA-N 1 0 256.143 1.874 40 0 CDABRO OCc1cn(C[C@@H](O)C[NH+]2CCCCC2)c2ccccc12 ZINC000004934591 1163554497 /nfs/dbraw/zinc/55/44/97/1163554497.db2.gz BXPMOEHEMVFVLF-HNNXBMFYSA-N 1 0 288.391 1.980 40 0 CDABRO CCN1OC2(CC1=O)CC[NH+](Cc1ccccn1)CC2 ZINC001549166834 968052393 /nfs/dbraw/zinc/05/23/93/968052393.db2.gz JHNBEUVYKGCZPZ-UHFFFAOYSA-N 1 0 275.352 1.600 40 0 CDABRO Cc1cccc(C(=O)N2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)c1 ZINC000575402867 342451753 /nfs/dbraw/zinc/45/17/53/342451753.db2.gz CYZYQVWFIPLXDI-BZUAXINKSA-N 1 0 288.391 1.644 40 0 CDABRO Fc1ccc(Cn2cnnc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000082569463 178103882 /nfs/dbraw/zinc/10/38/82/178103882.db2.gz OJJZNNNUQUWEER-GFCCVEGCSA-N 1 0 260.316 1.933 40 0 CDABRO CN(C)CC[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000089212817 282105766 /nfs/dbraw/zinc/10/57/66/282105766.db2.gz IKALCVDTMSBHNP-CYBMUJFWSA-N 1 0 285.432 1.927 40 0 CDABRO O=C([C@@H]1C[N@H+](CC2CC2)CC12CCOCC2)N1CCCC1 ZINC000096052193 185074451 /nfs/dbraw/zinc/07/44/51/185074451.db2.gz DGNJHOVPWCETDH-HNNXBMFYSA-N 1 0 292.423 1.747 40 0 CDABRO CO[C@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057406 185077279 /nfs/dbraw/zinc/07/72/79/185077279.db2.gz ZIYATGPYEDILJB-SCVCMEIPSA-N 1 0 254.355 1.521 40 0 CDABRO O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccco2)C1 ZINC000096057653 185077353 /nfs/dbraw/zinc/07/73/53/185077353.db2.gz YBUPTUWPVJKNMP-NILFDRSVSA-N 1 0 290.363 1.538 40 0 CDABRO c1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nncs2)co1 ZINC000096083015 185092204 /nfs/dbraw/zinc/09/22/04/185092204.db2.gz ZRPAXZASVUKNEN-NEPJUHHUSA-N 1 0 276.365 1.984 40 0 CDABRO Cn1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC2CC2)cn1 ZINC000096100476 185097531 /nfs/dbraw/zinc/09/75/31/185097531.db2.gz IWIDBCFWATZDGI-LSDHHAIUSA-N 1 0 260.385 1.479 40 0 CDABRO c1cc2n(n1)CC[C@@H](COc1cnccn1)[N@@H+](C1CCC1)C2 ZINC000585096678 342211829 /nfs/dbraw/zinc/21/18/29/342211829.db2.gz AATPPXUGCXZPKJ-HNNXBMFYSA-N 1 0 299.378 1.879 40 0 CDABRO Cc1cccc(CN2Cc3ccnn3CC[C@H]2CO)n1 ZINC000585098398 342212080 /nfs/dbraw/zinc/21/20/80/342212080.db2.gz XMQVMGGHGIPGJK-HNNXBMFYSA-N 1 0 272.352 1.353 40 0 CDABRO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2O1 ZINC000097953831 529929096 /nfs/dbraw/zinc/92/90/96/529929096.db2.gz QHPNTTOFLJSZIG-ZNMIVQPWSA-N 1 0 274.364 1.412 40 0 CDABRO CN1CCO[C@](C)(C(=O)NCc2cccc(F)c2F)C1 ZINC000257330386 362587103 /nfs/dbraw/zinc/58/71/03/362587103.db2.gz XODSAVHGGYENDM-AWEZNQCLSA-N 1 0 284.306 1.302 40 0 CDABRO c1ccc(O[C@H]2COCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000085435975 179063178 /nfs/dbraw/zinc/06/31/78/179063178.db2.gz DXMNRILDMFCSRW-MRXNPFEDSA-N 1 0 277.364 1.945 40 0 biogenic,in-vitro CDABRO COCC[N@@H+]1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000107785543 186190414 /nfs/dbraw/zinc/19/04/14/186190414.db2.gz QFUGTLDKZSMHCV-HUUCEWRRSA-N 1 0 278.352 1.340 40 0 CDABRO CCOC(=O)C[C@H]1[NH2+]CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000004203238 356021454 /nfs/dbraw/zinc/02/14/54/356021454.db2.gz JWIFFLUEVLMGJF-WDEREUQCSA-N 1 0 286.372 1.585 40 0 CDABRO c1cncc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019339429 356480422 /nfs/dbraw/zinc/48/04/22/356480422.db2.gz VSDOWXALJROHMY-INIZCTEOSA-N 1 0 295.390 1.854 40 0 CDABRO CCCS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019842800 356509583 /nfs/dbraw/zinc/50/95/83/356509583.db2.gz CYXYNMSOFRFXOP-ILXRZTDVSA-N 1 0 298.452 1.556 40 0 CDABRO OCC[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000079393543 356990058 /nfs/dbraw/zinc/99/00/58/356990058.db2.gz QQLSXSJJYFZYDC-INIZCTEOSA-N 1 0 274.408 1.965 40 0 CDABRO Nc1nc(CN2CC[NH+](CC3CC3)CC2)cs1 ZINC000042490392 357069625 /nfs/dbraw/zinc/06/96/25/357069625.db2.gz QGEGZMYNITVTRN-UHFFFAOYSA-N 1 0 252.387 1.253 40 0 CDABRO c1nc(N2CCOCC2)cnc1C[C@H]1CCC[NH2+]CC1 ZINC000072386601 357831990 /nfs/dbraw/zinc/83/19/90/357831990.db2.gz UCFUZJMSOXNAPM-ZDUSSCGKSA-N 1 0 276.384 1.245 40 0 CDABRO NC(=[NH2+])c1cc(I)ccc1F ZINC000140451711 358064572 /nfs/dbraw/zinc/06/45/72/358064572.db2.gz TUYKECFWOROKNW-UHFFFAOYSA-N 1 0 264.041 1.714 40 0 CDABRO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccncc2)cn1 ZINC000096184601 358714280 /nfs/dbraw/zinc/71/42/80/358714280.db2.gz PCKAUMBNIGDFOA-SJORKVTESA-N 1 0 297.406 1.664 40 0 CDABRO c1cncc(-c2ncc3c(n2)[C@@]2(CC[NH2+]C2)COC3)c1 ZINC000096244278 358724648 /nfs/dbraw/zinc/72/46/48/358724648.db2.gz XGLIBLQWKGYKOW-OAHLLOKOSA-N 1 0 268.320 1.300 40 0 CDABRO Cc1ccccc1N1C[C@]2(CC[N@H+](CCO)C2)CC1=O ZINC000096239426 358724914 /nfs/dbraw/zinc/72/49/14/358724914.db2.gz WEPAXOOTBSFMOL-MRXNPFEDSA-N 1 0 274.364 1.416 40 0 CDABRO O=C(c1ccco1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000096246057 358725575 /nfs/dbraw/zinc/72/55/75/358725575.db2.gz HMOGFPKPYGOXFR-QWHCGFSZSA-N 1 0 260.337 1.836 40 0 CDABRO CSc1nc(Cl)cc(N2CC[NH2+][C@H](C)C2)n1 ZINC000072203131 359048038 /nfs/dbraw/zinc/04/80/38/359048038.db2.gz NBDWGVJEIIFSPF-SSDOTTSWSA-N 1 0 258.778 1.650 40 0 CDABRO CCOC[C@H]1Cn2nccc2C[N@H+](C[C@H]2CCOC2)C1 ZINC000107210542 359017550 /nfs/dbraw/zinc/01/75/50/359017550.db2.gz ZJXQTGUVMVTQJR-ZIAGYGMSSA-N 1 0 279.384 1.388 40 0 CDABRO [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000044528695 283505823 /nfs/dbraw/zinc/50/58/23/283505823.db2.gz AMIUZKSUZJOKKX-RISCZKNCSA-N 1 0 276.336 1.024 40 0 CDABRO CCOc1ccccc1OCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000075752502 360359326 /nfs/dbraw/zinc/35/93/26/360359326.db2.gz NELSNTOHPHIZDE-CYBMUJFWSA-N 1 0 292.379 1.627 40 0 CDABRO C[NH2+][C@H]1COc2c(cc(Br)cc2OC)C1 ZINC000090505519 367310286 /nfs/dbraw/zinc/31/02/86/367310286.db2.gz LOPJEPQRPQSCPC-SECBINFHSA-N 1 0 272.142 1.981 40 0 CDABRO CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391255 284227259 /nfs/dbraw/zinc/22/72/59/284227259.db2.gz QNWJMVNHRLAWEA-RYUDHWBXSA-N 1 0 299.415 1.582 40 0 CDABRO COCCNc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cn1 ZINC000049155083 373981265 /nfs/dbraw/zinc/98/12/65/373981265.db2.gz MLMWPBVONDSNKZ-NSHDSACASA-N 1 0 289.339 1.614 40 0 biogenic,in-vitro CDABRO O=C(NC[C@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000225450585 374428114 /nfs/dbraw/zinc/42/81/14/374428114.db2.gz DYNPSEBREBFIRM-WFASDCNBSA-N 1 0 258.365 1.660 40 0 CDABRO Cn1cc(C[NH2+]C[C@H]2CCCO2)c(C(F)(F)F)n1 ZINC000256053943 190004812 /nfs/dbraw/zinc/00/48/12/190004812.db2.gz UGUGTFMKIVEIGR-SECBINFHSA-N 1 0 263.263 1.708 40 0 CDABRO Cn1ccnc1C(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257211501 190012463 /nfs/dbraw/zinc/01/24/63/190012463.db2.gz BZBQIKSAKNEUKL-WFASDCNBSA-N 1 0 276.384 1.557 40 0 CDABRO Cc1c[nH]c(-c2cncc(CC3CC[NH2+]CC3)n2)n1 ZINC000257231299 190015901 /nfs/dbraw/zinc/01/59/01/190015901.db2.gz GGCCEXYSRHJTGC-UHFFFAOYSA-N 1 0 257.341 1.717 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000257229759 190016065 /nfs/dbraw/zinc/01/60/65/190016065.db2.gz FZKFXBLWLYCAGO-FDMDGMSGSA-N 1 0 274.364 1.225 40 0 CDABRO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257253013 190020922 /nfs/dbraw/zinc/02/09/22/190020922.db2.gz JXFZUYAFAUABJV-LBPRGKRZSA-N 1 0 259.357 1.896 40 0 CDABRO CN(c1ccccc1)[C@H]1COC2(C1)CC[NH+](CCO)CC2 ZINC000257272675 190024499 /nfs/dbraw/zinc/02/44/99/190024499.db2.gz NDJVPKGCXAMKIS-MRXNPFEDSA-N 1 0 290.407 1.739 40 0 CDABRO c1cc(C2CC[NH2+]CC2)nc(Nc2cncnc2)n1 ZINC000257294861 190028248 /nfs/dbraw/zinc/02/82/48/190028248.db2.gz QWAJSPQSGNDWJF-UHFFFAOYSA-N 1 0 256.313 1.477 40 0 CDABRO C[C@@]1(C(N)=O)C[N@H+](Cc2ccc3ccccc3c2)CCO1 ZINC000257301049 190030277 /nfs/dbraw/zinc/03/02/77/190030277.db2.gz RWUBTDHAVONRSZ-KRWDZBQOSA-N 1 0 284.359 1.916 40 0 CDABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2S(C)(=O)=O)nc1 ZINC000257308406 190030909 /nfs/dbraw/zinc/03/09/09/190030909.db2.gz TWPMVYAEIPKIKL-ZDUSSCGKSA-N 1 0 283.397 1.240 40 0 CDABRO c1nc2ncccn2c1-c1cc(CC[C@@H]2CCC[NH2+]2)ncn1 ZINC000257319739 190033365 /nfs/dbraw/zinc/03/33/65/190033365.db2.gz VTXIMCCVIRRYTQ-LBPRGKRZSA-N 1 0 294.362 1.871 40 0 CDABRO C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000331166240 376646749 /nfs/dbraw/zinc/64/67/49/376646749.db2.gz BGCOPQSAOAZNBG-QJPTWQEYSA-N 1 0 263.403 1.093 40 0 CDABRO Cc1nn(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000002776607 378053306 /nfs/dbraw/zinc/05/33/06/378053306.db2.gz ZSDQQBADYBLHBK-LLVKDONJSA-N 1 0 282.775 1.152 40 0 CDABRO O=C1CCCN1CCNc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072386886 284789922 /nfs/dbraw/zinc/78/99/22/284789922.db2.gz SGCBZANVKXCAIB-LBPRGKRZSA-N 1 0 274.368 1.540 40 0 CDABRO O=C1c2cc(Br)ccc2CN1[C@@H]1CC[NH2+]C1 ZINC000095097789 285013982 /nfs/dbraw/zinc/01/39/82/285013982.db2.gz KXFSSHWDMBAOKG-SNVBAGLBSA-N 1 0 281.153 1.767 40 0 CDABRO CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1cnn(C)c1 ZINC000096186513 256816705 /nfs/dbraw/zinc/81/67/05/256816705.db2.gz PCLBBPNGINQEHM-KBPBESRZSA-N 1 0 276.384 1.646 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]2C1 ZINC000096249557 256834787 /nfs/dbraw/zinc/83/47/87/256834787.db2.gz PKGFRYDXLLYEED-TZMCWYRMSA-N 1 0 294.420 1.470 40 0 CDABRO [NH3+]C[C@@H](O)COCc1cc(Cl)ccc1Cl ZINC000095096229 184943821 /nfs/dbraw/zinc/94/38/21/184943821.db2.gz QLWRZWMAYYGZGU-SECBINFHSA-N 1 0 250.125 1.830 40 0 CDABRO COc1cc(NC[C@@H]2C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000096509417 390529413 /nfs/dbraw/zinc/52/94/13/390529413.db2.gz LOFDRLWZYWIXDB-ZJUUUORDSA-N 1 0 266.341 1.719 40 0 CDABRO COCc1cc(N2CCC[NH2+]CC2)nc(C2CC2)n1 ZINC000096517009 390531934 /nfs/dbraw/zinc/53/19/34/390531934.db2.gz ROEPKBQRTKQAMD-UHFFFAOYSA-N 1 0 262.357 1.300 40 0 CDABRO C[NH2+]Cc1nnc2ccc(-c3ccc(F)cc3)nn21 ZINC000096530162 390541756 /nfs/dbraw/zinc/54/17/56/390541756.db2.gz KQEXUENAOIAZBQ-UHFFFAOYSA-N 1 0 257.272 1.650 40 0 CDABRO CNc1cc(Nc2nccc([C@@H]3CCC[N@@H+]3C)n2)ncn1 ZINC000072377382 390628188 /nfs/dbraw/zinc/62/81/88/390628188.db2.gz AHMXFBLIUWHOCG-NSHDSACASA-N 1 0 285.355 1.819 40 0 CDABRO CC(C)N1CCO[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC000096054278 390912409 /nfs/dbraw/zinc/91/24/09/390912409.db2.gz BHJKYJXTANASQN-NEPJUHHUSA-N 1 0 267.398 1.437 40 0 CDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccc2c(c1)OCO2 ZINC000242687316 391944960 /nfs/dbraw/zinc/94/49/60/391944960.db2.gz UEVQFQHLXDQCMU-WDEREUQCSA-N 1 0 263.293 1.234 40 0 CDABRO O=C(NCCO)c1sc2ccccc2c1[C@H]1CC[NH2+]C1 ZINC000257249413 397607128 /nfs/dbraw/zinc/60/71/28/397607128.db2.gz JIGKYXGLICZQPN-JTQLQIEISA-N 1 0 290.388 1.700 40 0 CDABRO CCn1nnc(C)c1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000336208372 151360925 /nfs/dbraw/zinc/36/09/25/151360925.db2.gz FWVLFSNGELXIIL-JTQLQIEISA-N 1 0 254.403 1.934 40 0 CDABRO CCC[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000006430897 170201052 /nfs/dbraw/zinc/20/10/52/170201052.db2.gz XCXLFCWRAXARPX-UHFFFAOYSA-N 1 0 252.314 1.059 40 0 CDABRO C[C@H](O)C[NH2+]CCNCc1cccc(Br)c1 ZINC000022075399 171352057 /nfs/dbraw/zinc/35/20/57/171352057.db2.gz WLYFWSGOILMYTK-JTQLQIEISA-N 1 0 287.201 1.509 40 0 CDABRO Cc1cccc(Cl)c1NC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000022451016 171387480 /nfs/dbraw/zinc/38/74/80/171387480.db2.gz PZMRXDNJCFAWEE-ZDUSSCGKSA-N 1 0 297.830 1.669 40 0 in-vitro CDABRO COc1ccc(Br)cc1[C@](C)(O)C[NH3+] ZINC000036173132 172493089 /nfs/dbraw/zinc/49/30/89/172493089.db2.gz CVHAZZAFICRGAP-SNVBAGLBSA-N 1 0 260.131 1.624 40 0 CDABRO C[NH2+][C@H](CO)c1cc(Br)ccc1OC ZINC000038121346 174128483 /nfs/dbraw/zinc/12/84/83/174128483.db2.gz IVSLNIKPZVERDT-SECBINFHSA-N 1 0 260.131 1.711 40 0 CDABRO Brc1ccc(C[C@@H]2C[NH2+]CCO2)cc1 ZINC000071577316 176205526 /nfs/dbraw/zinc/20/55/26/176205526.db2.gz WHCQUFGJLIZABU-LLVKDONJSA-N 1 0 256.143 1.980 40 0 CDABRO CNC(=O)[C@]1(CCCc2ccncc2)CCC[NH2+]C1 ZINC000072383146 176387907 /nfs/dbraw/zinc/38/79/07/176387907.db2.gz GZXVMGZXQNTUJI-OAHLLOKOSA-N 1 0 261.369 1.520 40 0 CDABRO CCOC[C@H]1C[N@H+](CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059851 276334414 /nfs/dbraw/zinc/33/44/14/276334414.db2.gz QGGFIDAZRLJOGX-OAHLLOKOSA-N 1 0 293.411 1.782 40 0 CDABRO CNC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc(F)cc2)C1 ZINC000096057647 277014129 /nfs/dbraw/zinc/01/41/29/277014129.db2.gz BGFIHDWENVJPOR-NWANDNLSSA-N 1 0 292.354 1.551 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000096107934 277124105 /nfs/dbraw/zinc/12/41/05/277124105.db2.gz DTRBNXWHPKSOOA-DZGCQCFKSA-N 1 0 264.344 1.588 40 0 CDABRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)NC ZINC000331987363 278789160 /nfs/dbraw/zinc/78/91/60/278789160.db2.gz NCWXSBZZJCDCKL-UHFFFAOYSA-N 1 0 277.434 1.039 40 0 CDABRO C[C@@H]1OC(=O)[C@@H]2[C@H]1[N@@H+]1CCc3ccccc3[C@@H]1C[C@H]2O ZINC000035361461 279038935 /nfs/dbraw/zinc/03/89/35/279038935.db2.gz MPEJFJFZVUSBET-WNBCSMFUSA-N 1 0 273.332 1.281 40 0 CDABRO [NH3+]CCSc1ccc2c(c1)CCC(=O)N2CCF ZINC000218812052 333136660 /nfs/dbraw/zinc/13/66/60/333136660.db2.gz NVNNAKGEJCWBLI-UHFFFAOYSA-N 1 0 268.357 1.986 40 0 CDABRO C[NH2+]C[C@]1(O)CCCN(c2ccnc3cccnc32)C1 ZINC000257265719 536468967 /nfs/dbraw/zinc/46/89/67/536468967.db2.gz MAADVEVNHHGXOV-OAHLLOKOSA-N 1 0 272.352 1.181 40 0 CDABRO O=C1CCCCCN1CCC[NH2+]Cc1ncc[nH]1 ZINC000067666685 526970412 /nfs/dbraw/zinc/97/04/12/526970412.db2.gz RPDKWUQRLYCMMZ-UHFFFAOYSA-N 1 0 250.346 1.292 40 0 CDABRO COc1ccc(-c2ccc3nnc(CC[NH3+])n3n2)cc1 ZINC000217566700 536896952 /nfs/dbraw/zinc/89/69/52/536896952.db2.gz SQHBWGIFQJYYJG-UHFFFAOYSA-N 1 0 269.308 1.301 40 0 CDABRO CN(C)c1ccc(F)cc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000873334676 733504361 /nfs/dbraw/zinc/50/43/61/733504361.db2.gz CVLMRJAQHZESJV-AWEZNQCLSA-N 1 0 280.347 1.765 40 0 CDABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096038978 185068706 /nfs/dbraw/zinc/06/87/06/185068706.db2.gz QDVIMXPIVJKTEN-HUUCEWRRSA-N 1 0 279.384 1.438 40 0 CDABRO COCC[N@@H+]1CC[C@@H]2O[C@@H](c3nnc(C4CC4)o3)C[C@H]2C1 ZINC000096045983 185071335 /nfs/dbraw/zinc/07/13/35/185071335.db2.gz WNTWQEXPCHLDBX-RWMBFGLXSA-N 1 0 293.367 1.745 40 0 CDABRO c1cnc(N[C@H]2CO[C@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096047748 185073063 /nfs/dbraw/zinc/07/30/63/185073063.db2.gz PUMJTAWIVWYEPX-UKRRQHHQSA-N 1 0 274.368 1.532 40 0 CDABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccccn3)CC2)N1 ZINC000096047456 185073065 /nfs/dbraw/zinc/07/30/65/185073065.db2.gz HBYWYXQQDJTYRG-OAHLLOKOSA-N 1 0 259.353 1.716 40 0 CDABRO O=C(c1cccc(Cl)c1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054061 185076263 /nfs/dbraw/zinc/07/62/63/185076263.db2.gz JFZXUKZZXDIKPI-PWSUYJOCSA-N 1 0 250.729 1.774 40 0 CDABRO CCOc1ncnc2c1CC[N@H+](Cc1ccccn1)CC2 ZINC000096058761 185078918 /nfs/dbraw/zinc/07/89/18/185078918.db2.gz BLQJDQXOKZGIEE-UHFFFAOYSA-N 1 0 284.363 1.871 40 0 CDABRO Cn1cc2c(n1)[C@H](C[NH2+]Cc1cccs1)OCC2 ZINC000096059672 185080873 /nfs/dbraw/zinc/08/08/73/185080873.db2.gz NZPNJYSBVAEFDC-LBPRGKRZSA-N 1 0 263.366 1.885 40 0 CDABRO C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2)Cc2cncn21 ZINC000248070909 282127332 /nfs/dbraw/zinc/12/73/32/282127332.db2.gz AVQCMTILDCYTMU-CQSZACIVSA-N 1 0 285.351 1.037 40 0 CDABRO Cc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)CNC(=O)[C@H]2C ZINC000096100080 185097792 /nfs/dbraw/zinc/09/77/92/185097792.db2.gz CHNFZBXJLVFDOS-QEJZJMRPSA-N 1 0 258.365 1.809 40 0 CDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cc(Br)cs1 ZINC000396852783 342168666 /nfs/dbraw/zinc/16/86/66/342168666.db2.gz VLJFKLYJCSGYMI-SFYZADRCSA-N 1 0 290.182 1.987 40 0 CDABRO CC(C)(C)OC(=O)N1CCC([C@H]2COCC[NH2+]2)CC1 ZINC000096945326 185136193 /nfs/dbraw/zinc/13/61/93/185136193.db2.gz WQEJFFVFCYYKOX-GFCCVEGCSA-N 1 0 270.373 1.622 40 0 CDABRO CO[C@]1(COc2ccc(F)cc2)CC[N@H+](CCO)C1 ZINC000585273927 342255903 /nfs/dbraw/zinc/25/59/03/342255903.db2.gz GSXIQXFQGODKOK-CQSZACIVSA-N 1 0 269.316 1.288 40 0 CDABRO CN1CC[N@H+](Cc2cccs2)C[C@@]2(CCCC(=O)N2)C1 ZINC000248093032 362149572 /nfs/dbraw/zinc/14/95/72/362149572.db2.gz WJVRXZLBNFFSDE-OAHLLOKOSA-N 1 0 293.436 1.534 40 0 CDABRO CC[N@H+]1C[C@H](NC(=O)NCc2cccnc2C)[C@@H](C)C1 ZINC000623743281 345452392 /nfs/dbraw/zinc/45/23/92/345452392.db2.gz OLBQYWDGSMBIID-FZMZJTMJSA-N 1 0 276.384 1.529 40 0 CDABRO CCC(=O)N1CCC[C@@H]1c1nc(C[NH2+]C)cc(NC)n1 ZINC000019759259 345470530 /nfs/dbraw/zinc/47/05/30/345470530.db2.gz GZAKPFSTERPMSF-LLVKDONJSA-N 1 0 277.372 1.311 40 0 CDABRO O=C(NCc1cccs1)[C@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC000306136483 201843565 /nfs/dbraw/zinc/84/35/65/201843565.db2.gz PUQSAHINGPZBLA-MVWJERBFSA-N 1 0 266.366 1.131 40 0 CDABRO Cn1cc(C[N@H+]2C[C@@H]3[C@H](CC(=O)N4CCCC4)[C@@H]3C2)cn1 ZINC000107745891 186188705 /nfs/dbraw/zinc/18/87/05/186188705.db2.gz QBPNNHJTJSCCGH-QDMKHBRRSA-N 1 0 288.395 1.110 40 0 CDABRO C[C@H]([NH3+])C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000157428004 188316825 /nfs/dbraw/zinc/31/68/25/188316825.db2.gz JJOWOVLCKLXQBM-CMPLNLGQSA-N 1 0 252.314 1.134 40 0 CDABRO CCNC(=O)C(C)(C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000157452779 188317773 /nfs/dbraw/zinc/31/77/73/188317773.db2.gz VXDSMVDFBNSGJG-UHFFFAOYSA-N 1 0 284.400 1.424 40 0 CDABRO O=C(C[NH2+][C@H]1CCCSC1)NC1CCCCC1 ZINC000167462837 363245818 /nfs/dbraw/zinc/24/58/18/363245818.db2.gz OWBGULDHZXYTQG-LBPRGKRZSA-N 1 0 256.415 1.921 40 0 CDABRO Cc1ccc(S(=O)(=O)[N+]2=CN(C)C(C)(C)C2)cc1 ZINC000000409385 355909373 /nfs/dbraw/zinc/90/93/73/355909373.db2.gz PSMDXWOUDYBQGK-UHFFFAOYSA-N 1 0 267.374 1.449 40 0 CDABRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000019527286 356490649 /nfs/dbraw/zinc/49/06/49/356490649.db2.gz INMVWTHYUPKDFG-LLVKDONJSA-N 1 0 276.384 1.503 40 0 CDABRO CC[NH+]1CCN(c2nc(-c3ccccc3C)cc(=O)[nH]2)CC1 ZINC000012653009 366243236 /nfs/dbraw/zinc/24/32/36/366243236.db2.gz MIEBUWFUZHUIOJ-UHFFFAOYSA-N 1 0 298.390 1.887 40 0 CDABRO OCC[NH2+]CCNCc1ccc(Cl)c(Cl)c1 ZINC000023255787 356637814 /nfs/dbraw/zinc/63/78/14/356637814.db2.gz DJCUIRPTLUEIBG-UHFFFAOYSA-N 1 0 263.168 1.665 40 0 CDABRO C[N@@H+](CC(=O)[O-])C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393365 356990118 /nfs/dbraw/zinc/99/01/18/356990118.db2.gz LFCSFILASHJVNC-OAHLLOKOSA-N 1 0 276.380 1.915 40 0 CDABRO CN(C[C@@H]1CCCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408376 356992616 /nfs/dbraw/zinc/99/26/16/356992616.db2.gz FYDFWGBPQLCRFA-LBPRGKRZSA-N 1 0 271.405 1.667 40 0 CDABRO CN(C[C@@H]1CCN(CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411474 356993639 /nfs/dbraw/zinc/99/36/39/356993639.db2.gz SIMGLOBWRUDRNJ-HNNXBMFYSA-N 1 0 291.395 1.536 40 0 CDABRO C[C@@H]1CN(C(=O)OCc2ccccc2)CCN1CC[NH3+] ZINC000079419886 356996136 /nfs/dbraw/zinc/99/61/36/356996136.db2.gz OBZIIZJGPSDKPH-CYBMUJFWSA-N 1 0 277.368 1.288 40 0 CDABRO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000082333913 358160870 /nfs/dbraw/zinc/16/08/70/358160870.db2.gz YMSRKWAFXMPVTB-GFCCVEGCSA-N 1 0 275.352 1.925 40 0 CDABRO [NH3+]CCN1C(=O)O[C@H](c2cccc(Cl)c2)C1=O ZINC000095081144 358676788 /nfs/dbraw/zinc/67/67/88/358676788.db2.gz LXMHVXUZRHYEHZ-SECBINFHSA-N 1 0 254.673 1.319 40 0 CDABRO O=C1N(Cc2ccc(F)cc2)CCC12CC[NH2+]CC2 ZINC000023509052 358754319 /nfs/dbraw/zinc/75/43/19/358754319.db2.gz NXCYRZGPVDCAAL-UHFFFAOYSA-N 1 0 262.328 1.928 40 0 CDABRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CC[N@H+]3C)cc1 ZINC000096184260 358713855 /nfs/dbraw/zinc/71/38/55/358713855.db2.gz KDZCXDOYULAJTO-UONOGXRCSA-N 1 0 280.393 1.462 40 0 CDABRO c1cncc(CO[C@H]2C[N@H+]([C@H]3CCOC3)[C@@H]3COC[C@H]23)c1 ZINC000096185076 358714215 /nfs/dbraw/zinc/71/42/15/358714215.db2.gz ATODGBHDLSAECW-JONQDZQNSA-N 1 0 290.363 1.086 40 0 CDABRO COC[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)[N@@H+]1C ZINC000096207660 358719959 /nfs/dbraw/zinc/71/99/59/358719959.db2.gz WUFWANDTFQDCDR-CQSZACIVSA-N 1 0 292.379 1.995 40 0 CDABRO CN(C)C(=O)C[C@@H]1C[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096207681 358720661 /nfs/dbraw/zinc/72/06/61/358720661.db2.gz XPDMWSVEVFCRGD-MELADBBJSA-N 1 0 278.352 1.347 40 0 CDABRO CS(=O)(=O)N1CCC[C@@]12CCCN(Cc1ccc[nH]1)C2 ZINC000096214983 358721550 /nfs/dbraw/zinc/72/15/50/358721550.db2.gz GGAWIGHLSNWSOA-CQSZACIVSA-N 1 0 297.424 1.405 40 0 CDABRO COCCN1C(=O)CCC12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000096228050 358723732 /nfs/dbraw/zinc/72/37/32/358723732.db2.gz NGYQEUKTHRDOBE-CQSZACIVSA-N 1 0 296.411 1.126 40 0 CDABRO CC(C)N1CCO[C@H]2CN(C(=O)c3ccsc3)C[C@H]21 ZINC000096246448 358725361 /nfs/dbraw/zinc/72/53/61/358725361.db2.gz AOJSWOCAVASCIY-OLZOCXBDSA-N 1 0 280.393 1.682 40 0 CDABRO CCN1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000096260817 358729547 /nfs/dbraw/zinc/72/95/47/358729547.db2.gz BXZXWXLUHUGMMP-UHFFFAOYSA-N 1 0 267.417 1.271 40 0 CDABRO C[C@H]([NH3+])c1nnc2ccc(-c3ccc(F)cc3)nn21 ZINC000058021799 366460106 /nfs/dbraw/zinc/46/01/06/366460106.db2.gz GLSXSZSLXDXDIP-QMMMGPOBSA-N 1 0 257.272 1.950 40 0 CDABRO [NH3+]C[C@H]1CCN(c2ccc(F)c(Cl)c2)S1(=O)=O ZINC000222544403 359352843 /nfs/dbraw/zinc/35/28/43/359352843.db2.gz XTZXEKWJSLSTCU-MRVPVSSYSA-N 1 0 278.736 1.346 40 0 CDABRO [NH3+]C[C@@H]1CCN(Cc2cccc3ccccc32)S1(=O)=O ZINC000222539481 359353152 /nfs/dbraw/zinc/35/31/52/359353152.db2.gz VVSSHZWQJIEXCK-AWEZNQCLSA-N 1 0 290.388 1.703 40 0 CDABRO CC[NH+](CC)CC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000026955093 360013255 /nfs/dbraw/zinc/01/32/55/360013255.db2.gz YGGLFHOODWPAAV-HNNXBMFYSA-N 1 0 276.380 1.758 40 0 CDABRO O=C1C[C@@H]2CC[NH2+]C[C@@H]2CCN1Cc1cccnc1 ZINC000015673143 360722765 /nfs/dbraw/zinc/72/27/65/360722765.db2.gz GTZPSNSYEZMMQN-KBPBESRZSA-N 1 0 259.353 1.430 40 0 biogenic,in-vitro CDABRO C[C@H]1CC[C@@H]([NH2+]CCCNS(C)(=O)=O)C[C@@H]1C ZINC000097379718 360950702 /nfs/dbraw/zinc/95/07/02/360950702.db2.gz QTTDZFPKQLOFEQ-SDDRHHMPSA-N 1 0 262.419 1.340 40 0 CDABRO CC(C)C(=O)Nc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000226258331 367362637 /nfs/dbraw/zinc/36/26/37/367362637.db2.gz RTUBTLGQXAFOGK-UHFFFAOYSA-N 1 0 276.384 1.615 40 0 CDABRO Cc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)on1 ZINC000331816121 204195049 /nfs/dbraw/zinc/19/50/49/204195049.db2.gz YKMIDVWOMRTTHU-UHFFFAOYSA-N 1 0 258.321 1.603 40 0 CDABRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000130917208 374227092 /nfs/dbraw/zinc/22/70/92/374227092.db2.gz YEHFJTNBLOHEQK-LSDHHAIUSA-N 1 0 288.391 1.798 40 0 CDABRO [NH3+]C[C@H](c1ccccc1OC(F)(F)F)N1CCOCC1 ZINC000019254762 374705953 /nfs/dbraw/zinc/70/59/53/374705953.db2.gz LCZGKZFCSMWXEN-LLVKDONJSA-N 1 0 290.285 1.917 40 0 CDABRO O=c1cc(O)c2c([nH]1)CC[N@@H+](Cc1ccccc1)C2 ZINC000095097362 374869102 /nfs/dbraw/zinc/86/91/02/374869102.db2.gz REIFYYVABNNBHI-UHFFFAOYSA-N 1 0 256.305 1.639 40 0 CDABRO c1cn2ccnc(N3CC[NH+](CC4CC4)CC3)c2n1 ZINC000306144864 374971511 /nfs/dbraw/zinc/97/15/11/374971511.db2.gz ZQWDNVLJFYAJAD-UHFFFAOYSA-N 1 0 257.341 1.261 40 0 CDABRO COC(=O)c1ccc2c(c1)[C@]1(CCC2)COCC[NH2+]1 ZINC000306145769 374971916 /nfs/dbraw/zinc/97/19/16/374971916.db2.gz POLIFXODENXJIE-HNNXBMFYSA-N 1 0 261.321 1.625 40 0 CDABRO Cc1c[nH]c([C@@H]2COCCN2C(=O)C[NH+]2CCCCC2)n1 ZINC000257223571 291619107 /nfs/dbraw/zinc/61/91/07/291619107.db2.gz DXYYFSPGDRXYDW-ZDUSSCGKSA-N 1 0 292.383 1.104 40 0 CDABRO O=c1ccc(-c2ccc(F)cc2)nn1C1CC[NH2+]CC1 ZINC000041630313 375624583 /nfs/dbraw/zinc/62/45/83/375624583.db2.gz GRVUISISLAQFLO-UHFFFAOYSA-N 1 0 273.311 1.974 40 0 CDABRO CCCn1nc(C)cc1C[NH2+]CCCN1CCOCC1 ZINC000256052077 190004322 /nfs/dbraw/zinc/00/43/22/190004322.db2.gz LUYRYIXDIBIPBN-UHFFFAOYSA-N 1 0 280.416 1.413 40 0 CDABRO CC(C)[C@H]1COC(=O)N1c1cnc(C2CC[NH2+]CC2)cn1 ZINC000257201819 190010570 /nfs/dbraw/zinc/01/05/70/190010570.db2.gz AJDMHKHWTDJMLC-CYBMUJFWSA-N 1 0 290.367 1.925 40 0 CDABRO COc1ccc(OC)c(-c2ccc3nnc([C@@H](C)[NH3+])n3n2)c1 ZINC000217555063 375670886 /nfs/dbraw/zinc/67/08/86/375670886.db2.gz MXLSJGJKCOSHSM-SECBINFHSA-N 1 0 299.334 1.828 40 0 CDABRO Cc1cncc(C2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000257216368 190013892 /nfs/dbraw/zinc/01/38/92/190013892.db2.gz CUFOADPIHGINJO-UHFFFAOYSA-N 1 0 288.395 1.587 40 0 CDABRO Cc1nccc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)n1 ZINC000257258327 190021387 /nfs/dbraw/zinc/02/13/87/190021387.db2.gz KTIQXBXOOJWTQP-CYBMUJFWSA-N 1 0 269.352 1.955 40 0 CDABRO Cn1cncc1-c1cncc(C[C@H]2CCC[NH2+]C2)n1 ZINC000257292854 190027458 /nfs/dbraw/zinc/02/74/58/190027458.db2.gz QNFKKYCZGUYVFR-LLVKDONJSA-N 1 0 257.341 1.419 40 0 CDABRO CCc1nccn1CC(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257297823 190029149 /nfs/dbraw/zinc/02/91/49/190029149.db2.gz RIXVAVQLPKRECT-UONOGXRCSA-N 1 0 290.411 1.436 40 0 CDABRO Cn1ccnc1-c1cncc(C[C@H]2CCC[N@H+](C)C2)n1 ZINC000257327362 190034902 /nfs/dbraw/zinc/03/49/02/190034902.db2.gz XBBQSLIVNHRFPG-GFCCVEGCSA-N 1 0 271.368 1.761 40 0 CDABRO Cn1cncc1C[NH+]1CCC(c2ccnc3ccnn32)CC1 ZINC000257342964 190037700 /nfs/dbraw/zinc/03/77/00/190037700.db2.gz ZQTYYDLIEYYUDY-UHFFFAOYSA-N 1 0 296.378 1.842 40 0 CDABRO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)CC(C)C)C2)C1 ZINC000306125193 285279016 /nfs/dbraw/zinc/27/90/16/285279016.db2.gz CISPDMZACOVLRI-CYBMUJFWSA-N 1 0 268.401 1.602 40 0 CDABRO O=C(NC[C@H]1C[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000096526150 256731139 /nfs/dbraw/zinc/73/11/39/256731139.db2.gz ILTARTRLDPBUMK-CABCVRRESA-N 1 0 258.365 1.906 40 0 CDABRO C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079415986 390421631 /nfs/dbraw/zinc/42/16/31/390421631.db2.gz NRIFDBSDRALQHL-AWEZNQCLSA-N 1 0 262.353 1.525 40 0 CDABRO CC[C@H]([C@@H]([NH3+])c1cccc(N)c1)S(=O)(=O)CC ZINC000096524950 390539824 /nfs/dbraw/zinc/53/98/24/390539824.db2.gz KHFGTRUQMISORT-NEPJUHHUSA-N 1 0 256.371 1.482 40 0 CDABRO C[NH2+]Cc1cnc(I)cc1C ZINC000072225995 390626198 /nfs/dbraw/zinc/62/61/98/390626198.db2.gz BTPWBRJQQSDCCT-UHFFFAOYSA-N 1 0 262.094 1.714 40 0 CDABRO CCn1ncc2c1[C@H](COC)C[N@H+](CC1CCOCC1)C2 ZINC000096060167 390912221 /nfs/dbraw/zinc/91/22/21/390912221.db2.gz YBRPUZGRFWIHCW-HNNXBMFYSA-N 1 0 293.411 1.875 40 0 CDABRO C[NH+](C)[C@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096047928 390912371 /nfs/dbraw/zinc/91/23/71/390912371.db2.gz PMLQXELTDZIKDP-GFCCVEGCSA-N 1 0 262.357 1.166 40 0 CDABRO C[NH+](C)C[C@H]1OC[C@@H]2CCN(C(=O)c3ccco3)C[C@@H]21 ZINC000096056231 390912381 /nfs/dbraw/zinc/91/23/81/390912381.db2.gz SLTWTSBEUDSEAJ-SGMGOOAPSA-N 1 0 278.352 1.318 40 0 CDABRO C[NH+](C)CCNC(=O)CCn1ncc2c1cccc2Cl ZINC000040769120 391999999 /nfs/dbraw/zinc/99/99/99/391999999.db2.gz XTOWZOGVAHIECU-UHFFFAOYSA-N 1 0 294.786 1.758 40 0 CDABRO C[NH+](C)CC[C@H]1CN(Cc2cccnc2)Cc2ccnn21 ZINC000306128847 392106447 /nfs/dbraw/zinc/10/64/47/392106447.db2.gz HMLBIAFDPZHHEG-INIZCTEOSA-N 1 0 285.395 1.787 40 0 CDABRO O=C1O[C@]2(CN1c1ccc(F)cc1)C[NH2+]CCOC2 ZINC000257317595 392978090 /nfs/dbraw/zinc/97/80/90/392978090.db2.gz VKKXCRNWTRBFSH-ZDUSSCGKSA-N 1 0 266.272 1.141 40 0 CDABRO CC(C)NC(=O)c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC000101915967 393011297 /nfs/dbraw/zinc/01/12/97/393011297.db2.gz VRZCWUISCSOCMM-UHFFFAOYSA-N 1 0 287.363 1.398 40 0 CDABRO CCn1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000005962265 170163921 /nfs/dbraw/zinc/16/39/21/170163921.db2.gz ZKZKGXIDAWIAAY-GFCCVEGCSA-N 1 0 262.357 1.132 40 0 CDABRO Cc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1C ZINC000020267697 171124156 /nfs/dbraw/zinc/12/41/56/171124156.db2.gz XFUQNLIKSWVCAM-UHFFFAOYSA-N 1 0 268.382 1.415 40 0 CDABRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCOc1ccccc1 ZINC000022584714 171392360 /nfs/dbraw/zinc/39/23/60/171392360.db2.gz CERXAIIVWSSCFY-HUUCEWRRSA-N 1 0 278.396 1.452 40 0 CDABRO CS(=O)(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038584082 174148708 /nfs/dbraw/zinc/14/87/08/174148708.db2.gz SYODNAJYHKXOJM-UHFFFAOYSA-N 1 0 272.370 1.041 40 0 CDABRO COC(=O)c1cc2c(ccn(CC[NH+](C)C)c2=O)nc1C ZINC000038784160 174155421 /nfs/dbraw/zinc/15/54/21/174155421.db2.gz JKFREGAJJQBGKN-UHFFFAOYSA-N 1 0 289.335 1.053 40 0 CDABRO CC[C@@H](Oc1ccccc1C)C(=O)NCC[NH+](C)C ZINC000044902630 175274371 /nfs/dbraw/zinc/27/43/71/175274371.db2.gz MZLJZLNNRAJDDA-CYBMUJFWSA-N 1 0 264.369 1.830 40 0 CDABRO O[C@@H]1C[C@H](C2CCCCC2)[C@@H]([NH2+]C2CCOCC2)[C@@H]1O ZINC000072321659 176368589 /nfs/dbraw/zinc/36/85/89/176368589.db2.gz ABAPZVVYWLHUCX-KLHDSHLOSA-N 1 0 283.412 1.446 40 0 biogenic,in-vitro CDABRO Cc1nonc1CNc1cnc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000072365454 176380819 /nfs/dbraw/zinc/38/08/19/176380819.db2.gz OJUYSGPGNQGWHN-LLVKDONJSA-N 1 0 288.355 1.322 40 0 CDABRO Cc1cc(C)nc([C@]2(C)CCCN2C(=O)C2C[NH2+]C2)n1 ZINC000072388381 176393387 /nfs/dbraw/zinc/39/33/87/176393387.db2.gz RJFRLBCQFAOKAI-HNNXBMFYSA-N 1 0 274.368 1.150 40 0 CDABRO CC[NH+](CC)C[C@@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000248278000 276106748 /nfs/dbraw/zinc/10/67/48/276106748.db2.gz ZMRSNLBMNWYGFD-MRXNPFEDSA-N 1 0 292.427 1.761 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000339470984 276171211 /nfs/dbraw/zinc/17/12/11/276171211.db2.gz KQWCSSHIRQMCBG-MGPQQGTHSA-N 1 0 295.427 1.282 40 0 CDABRO C[N@@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225484452 277179383 /nfs/dbraw/zinc/17/93/83/277179383.db2.gz IWSHWZDFVPBXGU-NSHDSACASA-N 1 0 250.273 1.986 40 0 biogenic,in-vitro CDABRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3OCCc4ccccc43)C[C@@H]12 ZINC000195562276 303473805 /nfs/dbraw/zinc/47/38/05/303473805.db2.gz BAHQJLDGROLBCA-LCGIIJARSA-N 1 0 286.375 1.496 40 0 CDABRO c1ccc(C[NH2+]Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000062717743 333176044 /nfs/dbraw/zinc/17/60/44/333176044.db2.gz RCUGLDCIJCHYAL-UHFFFAOYSA-N 1 0 284.363 1.603 40 0 CDABRO CN1C(=O)NCC12CC[NH+](CCC(C)(C)C)CC2 ZINC000335104835 523718740 /nfs/dbraw/zinc/71/87/40/523718740.db2.gz LOIQPWMOAGMYAN-UHFFFAOYSA-N 1 0 253.390 1.912 40 0 CDABRO CC[NH+](CC)C[C@H](O)CSc1ncnc2[nH]cnc21 ZINC000005314209 528181179 /nfs/dbraw/zinc/18/11/79/528181179.db2.gz PFUOICDAFJWUCT-VIFPVBQESA-N 1 0 281.385 1.148 40 0 CDABRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCc2ncncc2C1 ZINC000897517937 620894608 /nfs/dbraw/zinc/89/46/08/620894608.db2.gz AIXUUNBBBJHSQN-GFCCVEGCSA-N 1 0 289.383 1.029 40 0 CDABRO CCn1cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)nn1 ZINC000899880332 622502277 /nfs/dbraw/zinc/50/22/77/622502277.db2.gz QLEKEDHCDVNVSS-LLVKDONJSA-N 1 0 256.300 1.919 40 0 CDABRO [NH3+][C@@]1(O)CC=c2ccccc2=C1c1cccc2ccccc21 ZINC001772490878 1167406312 /nfs/dbraw/zinc/40/63/12/1167406312.db2.gz MYNJFAISGIXBDI-HXUWFJFHSA-N 1 0 287.362 1.870 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CCC(C)(C)CC1 ZINC001548448166 967496615 /nfs/dbraw/zinc/49/66/15/967496615.db2.gz PSOYFMXWNFSRPQ-VXGBXAGGSA-N 1 0 254.374 1.306 40 0 CDABRO CCN1OC2(CC1=O)CC[NH+](Cc1ccncc1)CC2 ZINC001549168402 968053204 /nfs/dbraw/zinc/05/32/04/968053204.db2.gz WEQSDVVGOWEAEA-UHFFFAOYSA-N 1 0 275.352 1.600 40 0 CDABRO CC[C@@H]([NH2+]C)C(=O)N1Cc2ccccc2N2CCC[C@H]2C1 ZINC001548449090 969513596 /nfs/dbraw/zinc/51/35/96/969513596.db2.gz SIEVXIXWOJALAW-LSDHHAIUSA-N 1 0 287.407 1.996 40 0 CDABRO CC[NH+](CC)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C)Cc2ccnn21 ZINC000575405399 342451923 /nfs/dbraw/zinc/45/19/23/342451923.db2.gz HQWYXVCGALZHTO-YUELXQCFSA-N 1 0 290.411 1.764 40 0 CDABRO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)O1 ZINC000096057326 185077212 /nfs/dbraw/zinc/07/72/12/185077212.db2.gz XEIAIGHLMWPMGV-KFWWJZLASA-N 1 0 289.379 1.292 40 0 CDABRO Cc1noc(C)c1C[N@@H+]1CCCc2c(c(=O)n(C)n2C)C1 ZINC000096070102 185085425 /nfs/dbraw/zinc/08/54/25/185085425.db2.gz OJSRSMJOCGDHCD-UHFFFAOYSA-N 1 0 290.367 1.277 40 0 CDABRO COc1cc(N2C[C@H]3CCC[C@@H](C[NH+](C)C)[C@H]3C2)ncn1 ZINC000096081874 185091072 /nfs/dbraw/zinc/09/10/72/185091072.db2.gz HXVRQUPAQKPOOE-BFHYXJOUSA-N 1 0 290.411 1.899 40 0 CDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1ccco1)CC[C@@H]2OC ZINC000096109416 185099468 /nfs/dbraw/zinc/09/94/68/185099468.db2.gz YGXOIRMOJABJFT-XHSDSOJGSA-N 1 0 294.395 1.447 40 0 CDABRO C[NH2+]CC(=O)N1CCC[C@H](OC)[C@@H]1Cc1ccccc1F ZINC000585273831 342256176 /nfs/dbraw/zinc/25/61/76/342256176.db2.gz FEXKFSOSUXPQDD-GJZGRUSLSA-N 1 0 294.370 1.594 40 0 CDABRO NC(=O)CC[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000585277399 342256315 /nfs/dbraw/zinc/25/63/15/342256315.db2.gz VZNHWOOYGOJBBL-OAHLLOKOSA-N 1 0 262.353 1.279 40 0 CDABRO Cc1ccc(OC[C@]2(O)COCC[N@@H+](C3CCC3)C2)cc1 ZINC000585284283 342258659 /nfs/dbraw/zinc/25/86/59/342258659.db2.gz WOGSNWUXCVHXBM-QGZVFWFLSA-N 1 0 291.391 1.990 40 0 CDABRO OCCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585290473 342258712 /nfs/dbraw/zinc/25/87/12/342258712.db2.gz WPSGWSBRLXDPIT-RRFJBIMHSA-N 1 0 299.798 1.973 40 0 CDABRO C[NH+]1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000247721595 362127968 /nfs/dbraw/zinc/12/79/68/362127968.db2.gz AZRZBGHFEVZOHW-LBPRGKRZSA-N 1 0 250.367 1.788 40 0 CDABRO C[N@H+](CC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1)C1CCCC1 ZINC000257205240 362576823 /nfs/dbraw/zinc/57/68/23/362576823.db2.gz AYEIKLVTEYDBBL-HOCLYGCPSA-N 1 0 296.411 1.003 40 0 CDABRO O=C1CCC[C@]2(C[N@H+](CCO)C[C@H]2c2ccccc2F)N1 ZINC000257210130 362577830 /nfs/dbraw/zinc/57/78/30/362577830.db2.gz BTGZNUYHLLTPFW-XJKSGUPXSA-N 1 0 292.354 1.256 40 0 CDABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1ccnnc1)C2 ZINC000108524887 186220959 /nfs/dbraw/zinc/22/09/59/186220959.db2.gz NDHRIBZNCFYMOR-UHFFFAOYSA-N 1 0 260.341 1.033 40 0 CDABRO CCC(=O)N1CCCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000154360470 188137720 /nfs/dbraw/zinc/13/77/20/188137720.db2.gz ADVIGFQRYMMTDD-UHFFFAOYSA-N 1 0 283.416 1.222 40 0 CDABRO CC[NH+](CC)CCCn1cnc2ncccc2c1=O ZINC000001617226 355942248 /nfs/dbraw/zinc/94/22/48/355942248.db2.gz GIVNOFGTFJJETG-UHFFFAOYSA-N 1 0 260.341 1.523 40 0 CDABRO CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)cn1 ZINC000019585523 356492514 /nfs/dbraw/zinc/49/25/14/356492514.db2.gz RNJVCBWOBGPMEX-AWEZNQCLSA-N 1 0 298.394 1.712 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000039375583 356972225 /nfs/dbraw/zinc/97/22/25/356972225.db2.gz DIQUVKBEJJCUCP-AAEUAGOBSA-N 1 0 276.336 1.068 40 0 CDABRO CCN(CCO)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079393507 356990034 /nfs/dbraw/zinc/99/00/34/356990034.db2.gz LOGMKGZVCKTZDN-MRXNPFEDSA-N 1 0 262.397 1.965 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079409549 356992265 /nfs/dbraw/zinc/99/22/65/356992265.db2.gz VERLQVKBUXONRE-QWRGUYRKSA-N 1 0 285.388 1.049 40 0 CDABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000082336301 358160381 /nfs/dbraw/zinc/16/03/81/358160381.db2.gz KIFFZCAITNKVIM-JTQLQIEISA-N 1 0 262.309 1.696 40 0 CDABRO CS[C@H]1c2ccccc2N[C@H]1CC[NH2+]CCO ZINC000003159361 358515350 /nfs/dbraw/zinc/51/53/50/358515350.db2.gz QNRFQQVZDARXBO-STQMWFEESA-N 1 0 252.383 1.857 40 0 CDABRO Cc1nnn2c1COC[C@@H](C[NH2+]Cc1ccc(C)cc1)C2 ZINC000096199314 358717133 /nfs/dbraw/zinc/71/71/33/358717133.db2.gz VCZSZHSRRYFTMA-HNNXBMFYSA-N 1 0 286.379 1.831 40 0 CDABRO CN(C)C(=O)[C@H]1CO[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]12 ZINC000096219468 358722040 /nfs/dbraw/zinc/72/20/40/358722040.db2.gz LGCPYNIHVZOSOY-FRRDWIJNSA-N 1 0 280.393 1.283 40 0 CDABRO O=C1[C@H]2C[N@@H+]([C@@H]3CCOC3)C[C@H]2CN1c1ccccc1 ZINC000096245156 358724616 /nfs/dbraw/zinc/72/46/16/358724616.db2.gz MLSDZISUAMWFMN-CFVMTHIKSA-N 1 0 272.348 1.370 40 0 CDABRO CSc1cccc(N2CC[C@@H](C[NH3+])S2(=O)=O)c1 ZINC000222545062 359352745 /nfs/dbraw/zinc/35/27/45/359352745.db2.gz HRJJYVJKSXIUIU-NSHDSACASA-N 1 0 272.395 1.276 40 0 CDABRO CCCN(CC1CC1)c1ncnc2c1NC(=O)CN2 ZINC000041121383 359684037 /nfs/dbraw/zinc/68/40/37/359684037.db2.gz ZUILXPYIECWMSM-UHFFFAOYSA-N 1 0 261.329 1.467 40 0 CDABRO O=C([C@@H]1CCCC[N@@H+]1C[C@@H]1CO1)N1CCCCC1 ZINC000095097824 296010263 /nfs/dbraw/zinc/01/02/63/296010263.db2.gz WVWZEJFUJALBRB-OLZOCXBDSA-N 1 0 252.358 1.252 40 0 CDABRO C[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514290036 360126504 /nfs/dbraw/zinc/12/65/04/360126504.db2.gz VIASVLBKSHWERV-YQQAZPJKSA-N 1 0 288.391 1.709 40 0 biogenic,in-vitro CDABRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](C)Cc1ccccc1 ZINC000132311806 361219994 /nfs/dbraw/zinc/21/99/94/361219994.db2.gz KKEDREBDTMFYQW-YUELXQCFSA-N 1 0 277.364 1.473 40 0 CDABRO Cc1ccc(O)c(C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000049560369 364079576 /nfs/dbraw/zinc/07/95/76/364079576.db2.gz DSXMVWXLZQMDGY-LLVKDONJSA-N 1 0 250.342 1.771 40 0 CDABRO COc1cc(C(=O)NC2CC[NH2+]CC2)cc(OC)c1OC ZINC000001346207 367345949 /nfs/dbraw/zinc/34/59/49/367345949.db2.gz IUDUKNDFPVTZFI-UHFFFAOYSA-N 1 0 294.351 1.194 40 0 CDABRO Cc1cnc([C@@H](C)N2CCC[C@H](n3ccnn3)C2)o1 ZINC000333418534 205303574 /nfs/dbraw/zinc/30/35/74/205303574.db2.gz RGQKYYMNOYIGTR-NEPJUHHUSA-N 1 0 261.329 1.973 40 0 CDABRO O[C@H](COc1ccc(Cl)cc1)CN1CCC[NH2+]CC1 ZINC000064875922 374240932 /nfs/dbraw/zinc/24/09/32/374240932.db2.gz MEIHIMTXWAKCST-ZDUSSCGKSA-N 1 0 284.787 1.375 40 0 CDABRO Cc1cc[nH+]c(NCCS(=O)(=O)NCC2CCC2)c1 ZINC000225505651 374580621 /nfs/dbraw/zinc/58/06/21/374580621.db2.gz DXLZCTVXGGLVDD-UHFFFAOYSA-N 1 0 283.397 1.521 40 0 CDABRO O=C1c2ccccc2C(=O)N1C[NH2+]C[C@H](O)c1ccccc1 ZINC000019626124 374764122 /nfs/dbraw/zinc/76/41/22/374764122.db2.gz SBFUVEAAOKVZSG-HNNXBMFYSA-N 1 0 296.326 1.563 40 0 CDABRO Cc1nc(CO[C@@H]2C[NH2+][C@@H]3CCCO[C@H]23)cs1 ZINC000306125185 374967590 /nfs/dbraw/zinc/96/75/90/374967590.db2.gz CIKQWWMXUGROAX-UTUOFQBUSA-N 1 0 254.355 1.488 40 0 CDABRO CCOc1ccccc1[C@H](C[NH3+])N1CCOCC1 ZINC000019796162 375501064 /nfs/dbraw/zinc/50/10/64/375501064.db2.gz PMYITPIUQZNTRP-ZDUSSCGKSA-N 1 0 250.342 1.417 40 0 CDABRO O[C@H](C[NH2+]C1CC1)c1ncccc1Br ZINC000217530490 375663655 /nfs/dbraw/zinc/66/36/55/375663655.db2.gz LYDKFXBAHAKAOP-SECBINFHSA-N 1 0 257.131 1.630 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2cnn(C)c2)cc1 ZINC000257205318 190011243 /nfs/dbraw/zinc/01/12/43/190011243.db2.gz AYMQDSIUTDLGKP-MRXNPFEDSA-N 1 0 286.379 1.575 40 0 CDABRO CN(C)Cc1c[nH]c([C@H]2CC[N@H+](Cc3cncs3)C2)n1 ZINC000257205195 190011837 /nfs/dbraw/zinc/01/18/37/190011837.db2.gz AYAOZFHTKARGNR-NSHDSACASA-N 1 0 291.424 1.917 40 0 CDABRO Cn1nccc1-c1cncc(CC2CC[NH+](C)CC2)n1 ZINC000257222178 190014428 /nfs/dbraw/zinc/01/44/28/190014428.db2.gz DSGNIAQBJCQWEY-UHFFFAOYSA-N 1 0 271.368 1.761 40 0 CDABRO Cn1cc(-c2cnc(C[C@@H]3CCC[NH2+]C3)cn2)cn1 ZINC000257223230 190014719 /nfs/dbraw/zinc/01/47/19/190014719.db2.gz DWLJXDREFJLUFU-NSHDSACASA-N 1 0 257.341 1.419 40 0 CDABRO CNC(=O)C[N@H+]1C[C@@H]2[C@H](Oc3cccnc3C)CC[C@@H]2C1 ZINC000257294572 190028769 /nfs/dbraw/zinc/02/87/69/190028769.db2.gz QUSXJGIHYDQFHB-VNHYZAJKSA-N 1 0 289.379 1.225 40 0 CDABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2cc[nH]n2)n1 ZINC000257305874 190031382 /nfs/dbraw/zinc/03/13/82/190031382.db2.gz SRXDHBRXSQDVEB-AWEZNQCLSA-N 1 0 286.383 1.598 40 0 CDABRO c1cnc(Nc2cnc([C@H]3CCC[NH2+]C3)cn2)nc1 ZINC000257337341 190036133 /nfs/dbraw/zinc/03/61/33/190036133.db2.gz YSKVWCXJPBQTMB-JTQLQIEISA-N 1 0 256.313 1.477 40 0 CDABRO Cc1ccoc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288441317 197079427 /nfs/dbraw/zinc/07/94/27/197079427.db2.gz IOJUNLBVWANDPN-LBPRGKRZSA-N 1 0 266.341 1.165 40 0 CDABRO CC[C@H]([NH3+])c1ccc(N2CCN(C=O)CC2)nc1C ZINC000072224732 256704367 /nfs/dbraw/zinc/70/43/67/256704367.db2.gz GKPPLOHJAQMIBI-ZDUSSCGKSA-N 1 0 262.357 1.078 40 0 CDABRO CC(=O)N1CCN(c2cc(C)c([C@H](C)[NH3+])cn2)CC1 ZINC000072223738 256704963 /nfs/dbraw/zinc/70/49/63/256704963.db2.gz MKPYWRRWBWZKOC-NSHDSACASA-N 1 0 262.357 1.078 40 0 CDABRO CCc1[nH+]c(N)nc(N)c1-c1ccc(OC)c(N)c1 ZINC000001588897 390139802 /nfs/dbraw/zinc/13/98/02/390139802.db2.gz BWSLVQYTTNWEIA-UHFFFAOYSA-N 1 0 259.313 1.461 40 0 CDABRO CC(=O)N1CCN(c2ccc([C@@H](C)[NH3+])c(C)n2)CC1 ZINC000072224782 390625064 /nfs/dbraw/zinc/62/50/64/390625064.db2.gz CVZGOJVVYDXPDA-SNVBAGLBSA-N 1 0 262.357 1.078 40 0 CDABRO COC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)[N@@H+]1C ZINC000096207109 390913482 /nfs/dbraw/zinc/91/34/82/390913482.db2.gz FIIRYDROOCHAOU-ZDUSSCGKSA-N 1 0 294.374 1.695 40 0 CDABRO [NH3+][C@H](CSc1ccccc1)CC(=O)N1CCOCC1 ZINC000098181681 391248657 /nfs/dbraw/zinc/24/86/57/391248657.db2.gz GRCXARDDTSJXTN-LBPRGKRZSA-N 1 0 280.393 1.355 40 0 CDABRO CO[C@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 ZINC000247917658 391423271 /nfs/dbraw/zinc/42/32/71/391423271.db2.gz ZPZJWMRQJRONOB-AWEZNQCLSA-N 1 0 250.342 1.498 40 0 CDABRO [NH3+]CCCOc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000218793530 130770985 /nfs/dbraw/zinc/77/09/85/130770985.db2.gz YXRDTSRYWNDFAS-UHFFFAOYSA-N 1 0 287.363 1.851 40 0 CDABRO c1cnc(N2CCC3(C[NH+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC000096070842 285543723 /nfs/dbraw/zinc/54/37/23/285543723.db2.gz LTLBKVHSKUGBQP-ZDUSSCGKSA-N 1 0 274.368 1.025 40 0 CDABRO CC[NH+](CC)CCn1c2ccccc2c(=O)n(C)c1=O ZINC000005477031 170103042 /nfs/dbraw/zinc/10/30/42/170103042.db2.gz CDACKPBGFHUKOD-UHFFFAOYSA-N 1 0 275.352 1.042 40 0 CDABRO CCOc1ccc(CNCC[NH2+]C[C@H](C)O)cc1OC ZINC000022075997 171351999 /nfs/dbraw/zinc/35/19/99/171351999.db2.gz NRKWVWVHSZLCHK-LBPRGKRZSA-N 1 0 282.384 1.154 40 0 CDABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2)C[C@H](C)O1 ZINC000022161870 171364348 /nfs/dbraw/zinc/36/43/48/171364348.db2.gz LKAVRIRVSFRCHU-WDMOLILDSA-N 1 0 252.333 1.935 40 0 CDABRO C[NH+]1CCN(C[C@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022465736 171388759 /nfs/dbraw/zinc/38/87/59/171388759.db2.gz PWONMBSJTNRGNI-INIZCTEOSA-N 1 0 290.407 1.162 40 0 CDABRO CS(=O)(=O)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000037369820 173158533 /nfs/dbraw/zinc/15/85/33/173158533.db2.gz SHNVGFLRGUBNLI-UHFFFAOYSA-N 1 0 255.339 1.221 40 0 CDABRO COCC[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000049142891 175465275 /nfs/dbraw/zinc/46/52/75/175465275.db2.gz LPKHYINRBMPQNW-UHFFFAOYSA-N 1 0 276.380 1.836 40 0 CDABRO Cc1csc(NC(=O)c2cnc([C@@H]3CCC[NH2+]3)cn2)n1 ZINC000072387024 176392553 /nfs/dbraw/zinc/39/25/53/176392553.db2.gz OUZYSYQKAFEZSF-VIFPVBQESA-N 1 0 289.364 1.918 40 0 CDABRO CC[C@@H](O)C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000075765360 176777826 /nfs/dbraw/zinc/77/78/26/176777826.db2.gz JJFHUFUVWAXZSH-GFCCVEGCSA-N 1 0 257.374 1.417 40 0 CDABRO Cc1ccccc1C[N@@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000077266783 177247107 /nfs/dbraw/zinc/24/71/07/177247107.db2.gz IEWFLGGUYCPVFV-AWEZNQCLSA-N 1 0 259.353 1.547 40 0 biogenic,in-vitro CDABRO CC(C)Nc1ncc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000062717609 262302557 /nfs/dbraw/zinc/30/25/57/262302557.db2.gz MOJOZSNEGCXJIY-LBPRGKRZSA-N 1 0 250.346 1.566 40 0 CDABRO c1ccc(-c2ncc3c(n2)[C@@]2(CC[NH2+]C2)COC3)cc1 ZINC000096244350 265345773 /nfs/dbraw/zinc/34/57/73/265345773.db2.gz SLYSOCOOFKJSFI-MRXNPFEDSA-N 1 0 267.332 1.905 40 0 CDABRO COc1ncccc1C[NH2+]C1CCC2(CCC(=O)N2)CC1 ZINC000096075808 278095670 /nfs/dbraw/zinc/09/56/70/278095670.db2.gz FZXIEZDZCGSFJV-UHFFFAOYSA-N 1 0 289.379 1.771 40 0 CDABRO C[C@@]1(C(=O)NC2(c3ccccc3)CCCC2)C[NH2+]CCO1 ZINC000257234473 289139298 /nfs/dbraw/zinc/13/92/98/289139298.db2.gz GTQMFXQYYNJYNL-INIZCTEOSA-N 1 0 288.391 1.951 40 0 CDABRO CN1CC2(CC[NH2+]CC2)COc2ccccc2S1(=O)=O ZINC000096145089 289865278 /nfs/dbraw/zinc/86/52/78/289865278.db2.gz QQYOZQVSAWBJDP-UHFFFAOYSA-N 1 0 296.392 1.069 40 0 CDABRO O[C@H]1[C@H]([NH+]2CCCC2)CCC[C@]12CC=CCOC2 ZINC000226077513 304843135 /nfs/dbraw/zinc/84/31/35/304843135.db2.gz ZZSCFGVXOCIQQJ-ILXRZTDVSA-N 1 0 251.370 1.959 40 0 CDABRO CC(C)n1cc(C[NH2+]CCCN2CCOCC2)cn1 ZINC000226237664 620648515 /nfs/dbraw/zinc/64/85/15/620648515.db2.gz JPPHYWDMFPNUPN-UHFFFAOYSA-N 1 0 266.389 1.276 40 0 CDABRO CC(C)N1CCC[C@H]([NH2+][C@]23C[C@H]2COC32CCC2)C1=O ZINC000933391721 617413521 /nfs/dbraw/zinc/41/35/21/617413521.db2.gz FYDYLTVDHGCSNN-HEHGZKQESA-N 1 0 278.396 1.687 40 0 CDABRO Cc1cc2n(n1)C1(CC[NH+](CC3CC3)CC1)CC(=O)N2C ZINC001772596223 1159320321 /nfs/dbraw/zinc/32/03/21/1159320321.db2.gz YFORSTHSXOVXLK-UHFFFAOYSA-N 1 0 288.395 1.759 40 0 CDABRO Cc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)CNC(=O)[C@@H]2C ZINC000096045707 185071973 /nfs/dbraw/zinc/07/19/73/185071973.db2.gz CHNFZBXJLVFDOS-SNPRPXQTSA-N 1 0 258.365 1.809 40 0 CDABRO CN(C)C(=O)CO[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096047839 185073380 /nfs/dbraw/zinc/07/33/80/185073380.db2.gz XXSZPFLIJKQWEC-AWEZNQCLSA-N 1 0 296.411 1.125 40 0 CDABRO CCOC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000116755163 342046536 /nfs/dbraw/zinc/04/65/36/342046536.db2.gz SCAQGFRAYMMTNM-MRVPVSSYSA-N 1 0 261.243 1.927 40 0 CDABRO c1ccc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)nc1 ZINC000096054997 185075614 /nfs/dbraw/zinc/07/56/14/185075614.db2.gz GIIGNWXDMJMFCV-IAGOWNOFSA-N 1 0 287.407 1.767 40 0 CDABRO Cc1nc(COC[C@@H]2C[NH2+]Cc3nccn3C2)cs1 ZINC000096059151 185079556 /nfs/dbraw/zinc/07/95/56/185079556.db2.gz CEFYNIYSYDXNSF-LLVKDONJSA-N 1 0 278.381 1.584 40 0 CDABRO O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2CN1c1cncnc1 ZINC000096080712 185090807 /nfs/dbraw/zinc/09/08/07/185090807.db2.gz MEXOUVAVUSCMMU-HOCLYGCPSA-N 1 0 294.358 1.571 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000096107929 185099991 /nfs/dbraw/zinc/09/99/91/185099991.db2.gz ACWWOEXVLBACND-DZGCQCFKSA-N 1 0 292.354 1.157 40 0 CDABRO Cc1ncc(-c2cc([C@@H]3CC[NH2+]C3)nc(C)n2)n1C ZINC000257256380 282139816 /nfs/dbraw/zinc/13/98/16/282139816.db2.gz KLFLNFBPYQKGBN-LLVKDONJSA-N 1 0 257.341 1.571 40 0 CDABRO C[C@@]1(C(=O)N2CCC3(C2)CCCCC3)C[NH2+]CCO1 ZINC000585182313 342232619 /nfs/dbraw/zinc/23/26/19/342232619.db2.gz UWLLQUFLARPLDJ-AWEZNQCLSA-N 1 0 266.385 1.548 40 0 CDABRO CO[C@]1(COc2ccc(C)cc2)CCCN(C(=O)C[NH3+])C1 ZINC000585273349 342255858 /nfs/dbraw/zinc/25/58/58/342255858.db2.gz CGOYDRJTUKZPAI-MRXNPFEDSA-N 1 0 292.379 1.340 40 0 CDABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)n1 ZINC000332087622 362380527 /nfs/dbraw/zinc/38/05/27/362380527.db2.gz SNMMFBIXEZDNQA-LLVKDONJSA-N 1 0 274.324 1.771 40 0 CDABRO Cc1cccc(Cn2c(=O)ccc3c2CC[C@H]([NH3+])C3)n1 ZINC000306143413 201845319 /nfs/dbraw/zinc/84/53/19/201845319.db2.gz YBTJFWWNBHIMDA-ZDUSSCGKSA-N 1 0 269.348 1.416 40 0 CDABRO c1cnc(OC[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CC2CC2)nc1 ZINC000107747280 186189497 /nfs/dbraw/zinc/18/94/97/186189497.db2.gz JMZBQEXKEWXMMM-KKUMJFAQSA-N 1 0 289.379 1.745 40 0 CDABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cncn1C)C2 ZINC000108535801 186222607 /nfs/dbraw/zinc/22/26/07/186222607.db2.gz RBLNWRQCEDSKPF-UKRRQHHQSA-N 1 0 276.384 1.158 40 0 CDABRO COC[C@@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000062160966 363032915 /nfs/dbraw/zinc/03/29/15/363032915.db2.gz KTSHRPVHWAMLBO-GFCCVEGCSA-N 1 0 266.341 1.254 40 0 CDABRO CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000154280481 188133407 /nfs/dbraw/zinc/13/34/07/188133407.db2.gz RUIVMNUILOZVJK-KGLIPLIRSA-N 1 0 262.353 1.194 40 0 CDABRO CCOC(=O)c1c(C)[nH]c(C(=O)CC[NH+](C)C)c1C ZINC000001561740 355938840 /nfs/dbraw/zinc/93/88/40/355938840.db2.gz HMSVQXZCCQEPIA-UHFFFAOYSA-N 1 0 266.341 1.943 40 0 CDABRO COc1cc(NC(=O)[C@@H]([NH3+])CO)cc2ccccc21 ZINC000002572093 355976389 /nfs/dbraw/zinc/97/63/89/355976389.db2.gz UUXFIMTXSQJZID-LBPRGKRZSA-N 1 0 260.293 1.107 40 0 CDABRO OC[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019405933 356485152 /nfs/dbraw/zinc/48/51/52/356485152.db2.gz BRFMGIFYRIRRDH-CYBMUJFWSA-N 1 0 284.363 1.743 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)Cc1ccccc1Br ZINC000037798069 356932467 /nfs/dbraw/zinc/93/24/67/356932467.db2.gz TWOKCCYKHBGRRB-QMMMGPOBSA-N 1 0 271.158 1.755 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000079409508 356992720 /nfs/dbraw/zinc/99/27/20/356992720.db2.gz KPXYIRGRIDKXAS-JTQLQIEISA-N 1 0 285.388 1.097 40 0 CDABRO C[N@H+](Cc1ccccc1)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079415220 356993142 /nfs/dbraw/zinc/99/31/42/356993142.db2.gz NRVJIGPEPQOZII-UHFFFAOYSA-N 1 0 275.396 1.505 40 0 CDABRO COc1ccc(Br)cc1[C@@](C)(O)C[NH3+] ZINC000036173134 357783864 /nfs/dbraw/zinc/78/38/64/357783864.db2.gz CVHAZZAFICRGAP-JTQLQIEISA-N 1 0 260.131 1.624 40 0 CDABRO c1nc(C[C@@H]2CCC[NH2+]CC2)cc(N2CCOCC2)n1 ZINC000072386605 357831841 /nfs/dbraw/zinc/83/18/41/357831841.db2.gz WDEWVKWFMLEANU-CYBMUJFWSA-N 1 0 276.384 1.245 40 0 CDABRO [NH3+]C[C@H](O)COCc1ccccc1Br ZINC000095096222 366433171 /nfs/dbraw/zinc/43/31/71/366433171.db2.gz VCNGEIFUEWNCTL-VIFPVBQESA-N 1 0 260.131 1.285 40 0 CDABRO Cc1ccc(Cn2nc3c(cc2=O)C[NH2+]CC3)cc1 ZINC000063169735 358569717 /nfs/dbraw/zinc/56/97/17/358569717.db2.gz SLERDVUDJKDQEZ-UHFFFAOYSA-N 1 0 255.321 1.246 40 0 CDABRO C[C@@H]1CCCN1C(=O)c1[nH]nc2c1C[N@H+](CC1CC1)CC2 ZINC000096187414 358715258 /nfs/dbraw/zinc/71/52/58/358715258.db2.gz KUYYWMWOXWKPEM-LLVKDONJSA-N 1 0 288.395 1.802 40 0 CDABRO C[NH+](C)Cc1cnc2n1CCN(C(=O)CC1CC1)CC2 ZINC000096196819 358716196 /nfs/dbraw/zinc/71/61/96/358716196.db2.gz KYQGZJHMBZSEGV-UHFFFAOYSA-N 1 0 276.384 1.130 40 0 CDABRO COCCN1CC2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000096202837 358718812 /nfs/dbraw/zinc/71/88/12/358718812.db2.gz SIRGSNUHYHOGSX-UHFFFAOYSA-N 1 0 289.379 1.152 40 0 CDABRO COC[C@@H]1CCC2(CCN(C(=O)C3CCC3)CC2)[N@@H+]1C ZINC000096209336 358721071 /nfs/dbraw/zinc/72/10/71/358721071.db2.gz KJCVVQYWHGJUIR-AWEZNQCLSA-N 1 0 280.412 1.888 40 0 CDABRO c1cncc(-c2ncc3c(n2)[C@]2(CC[NH2+]C2)COC3)c1 ZINC000096244279 358724518 /nfs/dbraw/zinc/72/45/18/358724518.db2.gz XGLIBLQWKGYKOW-HNNXBMFYSA-N 1 0 268.320 1.300 40 0 CDABRO COCC[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC000096245303 358725594 /nfs/dbraw/zinc/72/55/94/358725594.db2.gz VNMYKLJWJGRQNS-ZFWWWQNUSA-N 1 0 292.354 1.362 40 0 CDABRO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](CCO)CC2 ZINC000096261136 358729487 /nfs/dbraw/zinc/72/94/87/358729487.db2.gz NMTMIMHWZYLSHX-CQSZACIVSA-N 1 0 274.364 1.117 40 0 CDABRO CNC(=O)N1CCC2(CC1)C[N@H+](C)Cc1cc(F)ccc12 ZINC000096261751 358730324 /nfs/dbraw/zinc/73/03/24/358730324.db2.gz OTKFBUQRSKQWLM-UHFFFAOYSA-N 1 0 291.370 1.944 40 0 CDABRO CN1[C@H]2CC[N@H+](C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263878 358731016 /nfs/dbraw/zinc/73/10/16/358731016.db2.gz AKIRXLVMFCSEJU-RYUDHWBXSA-N 1 0 296.392 1.162 40 0 CDABRO O=C(NCCc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000062116223 359016448 /nfs/dbraw/zinc/01/64/48/359016448.db2.gz BKMUNOYLPPLZBU-NSHDSACASA-N 1 0 252.745 1.608 40 0 CDABRO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000028233029 359493078 /nfs/dbraw/zinc/49/30/78/359493078.db2.gz DZBXGWZQHYIHFT-QMMMGPOBSA-N 1 0 288.273 1.349 40 0 CDABRO CS[C@H]1CCC[C@@H]1[N@H+](C)CC(=O)N(C)C1CC1 ZINC000076147576 367003070 /nfs/dbraw/zinc/00/30/70/367003070.db2.gz KCPWTQJIEKOVMT-RYUDHWBXSA-N 1 0 256.415 1.823 40 0 CDABRO NC(=[NH2+])Cc1ccc(I)cc1 ZINC000001439380 367086755 /nfs/dbraw/zinc/08/67/55/367086755.db2.gz UPMWNIOLEDBEGW-UHFFFAOYSA-N 1 0 260.078 1.770 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218464163 372826034 /nfs/dbraw/zinc/82/60/34/372826034.db2.gz HPROAGMMWQGCJM-DCAQKATOSA-N 1 0 259.758 1.568 40 0 CDABRO C[C@H](O)CN1CCN(C(=O)c2ccc(Cl)cn2)[C@H](C)C1 ZINC000225425876 374359766 /nfs/dbraw/zinc/35/97/66/374359766.db2.gz SFXBFZQYRJGMHY-MNOVXSKESA-N 1 0 297.786 1.262 40 0 CDABRO CN(C)CC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256049816 190003325 /nfs/dbraw/zinc/00/33/25/190003325.db2.gz BNZYEMWBMLSXRO-UHFFFAOYSA-N 1 0 250.268 1.090 40 0 CDABRO Cc1c(C[NH2+]Cc2ccnn2C)cnn1CC(F)F ZINC000256051055 190003612 /nfs/dbraw/zinc/00/36/12/190003612.db2.gz HNPAHTGTQISOTR-UHFFFAOYSA-N 1 0 269.299 1.480 40 0 CDABRO Cc1cc(Nc2cc(C)nc([C@@H]3CC[NH2+]C3)n2)no1 ZINC000257203511 190011630 /nfs/dbraw/zinc/01/16/30/190011630.db2.gz AQJZJOIERURGRY-SNVBAGLBSA-N 1 0 259.313 1.902 40 0 CDABRO C[C@@H]1CN(c2cnc(CC3CC[NH+](C)CC3)cn2)C(=O)O1 ZINC000257207943 190012456 /nfs/dbraw/zinc/01/24/56/190012456.db2.gz BKABBUNWENGYBW-LLVKDONJSA-N 1 0 290.367 1.706 40 0 CDABRO COc1ncc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257216108 190013747 /nfs/dbraw/zinc/01/37/47/190013747.db2.gz CTCXBCORICAKQA-INIZCTEOSA-N 1 0 298.390 1.974 40 0 CDABRO CN(C)c1ncc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000257225593 190015533 /nfs/dbraw/zinc/01/55/33/190015533.db2.gz FGXOYQRMILCGRT-GFCCVEGCSA-N 1 0 272.356 1.255 40 0 CDABRO COc1ccc([C@@H]2C[N@H+](C)C[C@@H]2CO)cc1OC ZINC000217674245 375703117 /nfs/dbraw/zinc/70/31/17/375703117.db2.gz XHXDOFSAVHGMOV-NEPJUHHUSA-N 1 0 251.326 1.341 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C1 ZINC000257248108 190020209 /nfs/dbraw/zinc/02/02/09/190020209.db2.gz JCDLILDSSVNRBO-INIZCTEOSA-N 1 0 276.380 1.144 40 0 CDABRO O=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)[C@H]1CC[NH2+]C1 ZINC000257266572 190022993 /nfs/dbraw/zinc/02/29/93/190022993.db2.gz MDOYQHLNJPRCPU-JTQLQIEISA-N 1 0 274.299 1.764 40 0 CDABRO COCC(=O)N1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257256352 190021571 /nfs/dbraw/zinc/02/15/71/190021571.db2.gz KLBSTSQLFBKXAD-CQSZACIVSA-N 1 0 293.367 1.002 40 0 CDABRO CCn1cc(C[N@@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257263751 190022742 /nfs/dbraw/zinc/02/27/42/190022742.db2.gz LRHGHAMJOYBGAB-CYBMUJFWSA-N 1 0 259.357 1.924 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257298216 190028917 /nfs/dbraw/zinc/02/89/17/190028917.db2.gz RKRDSYRNYFEVNQ-AWEZNQCLSA-N 1 0 290.411 1.908 40 0 CDABRO COCC[NH+]1CCC(C)(c2ncc(C(N)=O)s2)CC1 ZINC000257305455 190030934 /nfs/dbraw/zinc/03/09/34/190030934.db2.gz SQBYUCKGKSWZPB-UHFFFAOYSA-N 1 0 283.397 1.242 40 0 CDABRO CCn1cc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)cn1 ZINC000257308710 190031097 /nfs/dbraw/zinc/03/10/97/190031097.db2.gz TXUGBXYPAJNHNG-AWEZNQCLSA-N 1 0 279.384 1.409 40 0 CDABRO [NH3+]CCOc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000218793423 375899871 /nfs/dbraw/zinc/89/98/71/375899871.db2.gz YJEAHRGQFXREHT-UHFFFAOYSA-N 1 0 273.336 1.460 40 0 CDABRO Nc1nc2nc([C@H]3CCCC[N@@H+]3CCO)ccc2s1 ZINC000257329728 190034596 /nfs/dbraw/zinc/03/45/96/190034596.db2.gz XLGDTUAKGCVVPH-SNVBAGLBSA-N 1 0 278.381 1.793 40 0 CDABRO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)o1 ZINC000331018202 376389864 /nfs/dbraw/zinc/38/98/64/376389864.db2.gz IDVGHJMZKGTOQN-LBPRGKRZSA-N 1 0 288.413 1.843 40 0 CDABRO CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1C ZINC000002710251 378052017 /nfs/dbraw/zinc/05/20/17/378052017.db2.gz FOOBAHXAMONGOR-QWHCGFSZSA-N 1 0 253.342 1.095 40 0 CDABRO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](C)C[C@@H]12 ZINC000072395794 285177045 /nfs/dbraw/zinc/17/70/45/285177045.db2.gz NOGKSKVNPKUEDU-CJNGLKHVSA-N 1 0 272.348 1.665 40 0 CDABRO Cc1cnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1 ZINC000096202660 256822309 /nfs/dbraw/zinc/82/23/09/256822309.db2.gz YFTIWHUFLBDYRA-UHFFFAOYSA-N 1 0 258.369 1.707 40 0 CDABRO O[C@@H]1C[NH2+]Cc2cc3c(c(Br)c21)OCO3 ZINC000095470373 285331576 /nfs/dbraw/zinc/33/15/76/285331576.db2.gz SOTNPTNVTLGZHT-ZCFIWIBFSA-N 1 0 272.098 1.314 40 0 CDABRO CCCn1nc(C)cc1CN(C)C[C@@H]1CCC[NH2+]1 ZINC000096523702 390537541 /nfs/dbraw/zinc/53/75/41/390537541.db2.gz DKYAIMCUGDFQSI-ZDUSSCGKSA-N 1 0 250.390 1.785 40 0 CDABRO CCN(CC)C(=O)[C@@H]1CCCN1[C@@H](C[NH3+])C(F)(F)F ZINC000096529445 390540615 /nfs/dbraw/zinc/54/06/15/390540615.db2.gz AKCHINCQNYUUKT-UWVGGRQHSA-N 1 0 281.322 1.209 40 0 CDABRO CCCc1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000096530717 390541638 /nfs/dbraw/zinc/54/16/38/390541638.db2.gz UMFJISACNFPUCE-UHFFFAOYSA-N 1 0 262.317 1.205 40 0 CDABRO CCOC(=O)[C@H](C[NH3+])C1(N2CCOCC2)CCCCC1 ZINC000072210455 390618523 /nfs/dbraw/zinc/61/85/23/390618523.db2.gz YQBNSPSAINKCNI-ZDUSSCGKSA-N 1 0 284.400 1.160 40 0 CDABRO CCSc1ncc(C[NH2+]CCN2CCOCC2)cn1 ZINC000062718354 391574339 /nfs/dbraw/zinc/57/43/39/391574339.db2.gz FZLLNMOCQFJSQT-UHFFFAOYSA-N 1 0 282.413 1.010 40 0 CDABRO CN(C)C(=O)N1Cc2ccnn2[C@@H](C[NH+]2CCCC2)C1 ZINC000306144758 392105027 /nfs/dbraw/zinc/10/50/27/392105027.db2.gz ZNUBMQKQYRTPFX-ZDUSSCGKSA-N 1 0 277.372 1.017 40 0 CDABRO Fc1cccc(NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC000306122984 392105869 /nfs/dbraw/zinc/10/58/69/392105869.db2.gz ABJPOERBBNAPOS-IUODEOHRSA-N 1 0 280.343 1.633 40 0 CDABRO CC(C)n1c(=O)c2cnccc2nc1[C@@H]1CCC[NH2+]1 ZINC000252489436 392794889 /nfs/dbraw/zinc/79/48/89/392794889.db2.gz JRCDUZKTGUEYAO-LBPRGKRZSA-N 1 0 258.325 1.797 40 0 CDABRO COc1ccc([C@@H]2CN(C(C)=O)[C@H]3CCC[NH2+][C@@H]23)cc1 ZINC000409412905 286363584 /nfs/dbraw/zinc/36/35/84/286363584.db2.gz UNXRUBYHEBJKRZ-JYJNAYRXSA-N 1 0 274.364 1.762 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2C2(CCCCC2)N1 ZINC000022225465 171379948 /nfs/dbraw/zinc/37/99/48/171379948.db2.gz BSAZROZRHPSQEJ-UHFFFAOYSA-N 1 0 283.335 1.754 40 0 CDABRO O=C(Nc1ccccc1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071215235 176086116 /nfs/dbraw/zinc/08/61/16/176086116.db2.gz TZTWRZPIVZGDCQ-UHFFFAOYSA-N 1 0 271.324 1.455 40 0 CDABRO c1cc(NCCc2cnccn2)nc(C2CC[NH2+]CC2)c1 ZINC000072365344 176380541 /nfs/dbraw/zinc/38/05/41/176380541.db2.gz DMQYNLWUJLCSJW-UHFFFAOYSA-N 1 0 283.379 1.993 40 0 CDABRO NC(=O)c1cccc(-c2cnc([C@H]3CCC[NH2+]C3)cn2)c1 ZINC000072365521 176380776 /nfs/dbraw/zinc/38/07/76/176380776.db2.gz HURHFHIRUAEKPW-ZDUSSCGKSA-N 1 0 282.347 1.710 40 0 CDABRO CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCN1CCc1ccccc1 ZINC000072368696 176383657 /nfs/dbraw/zinc/38/36/57/176383657.db2.gz NRWONRPQMIBPKN-INIZCTEOSA-N 1 0 289.423 1.370 40 0 CDABRO OCC[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000072381320 176387768 /nfs/dbraw/zinc/38/77/68/176387768.db2.gz PEFAIGUWLIYXCS-QMMMGPOBSA-N 1 0 263.263 1.600 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1CCCc1ccccc1 ZINC000072397586 176394760 /nfs/dbraw/zinc/39/47/60/176394760.db2.gz FRDMDTTUQBHAQV-USXIJHARSA-N 1 0 274.408 1.759 40 0 CDABRO CCOc1ccccc1CN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1C ZINC000072397573 176394904 /nfs/dbraw/zinc/39/49/04/176394904.db2.gz YHFBDIDDXVRNDG-NUEKZKHPSA-N 1 0 290.407 1.725 40 0 CDABRO NC(=[NH2+])Cn1ccc(=O)c2cc(Br)ccc21 ZINC000078400827 177337544 /nfs/dbraw/zinc/33/75/44/177337544.db2.gz JGQJEBBPBKEWEB-UHFFFAOYSA-N 1 0 280.125 1.700 40 0 CDABRO CCOc1cc(N(C)[C@H]2CCC[NH2+]C2)nc(SC)n1 ZINC000079439254 177490806 /nfs/dbraw/zinc/49/08/06/177490806.db2.gz UCUJAKWSLYRYTC-JTQLQIEISA-N 1 0 282.413 1.785 40 0 CDABRO CC1(C)CN(C(=O)[C@@H]2CCC[NH2+]CC2)C(C)(C)CO1 ZINC000653091726 423995940 /nfs/dbraw/zinc/99/59/40/423995940.db2.gz FOQCCVXRQCBZCV-GFCCVEGCSA-N 1 0 268.401 1.792 40 0 CDABRO NC(=[NH2+])NC(=O)C1c2ccccc2Cc2ccccc21 ZINC000001733629 274932003 /nfs/dbraw/zinc/93/20/03/274932003.db2.gz HJVDVMAWAFYUHI-UHFFFAOYSA-N 1 0 265.316 1.732 40 0 CDABRO CN1CC[N@H+](CC2(O)CCOCC2)C[C@@H]1c1ccccc1 ZINC000257244508 277104398 /nfs/dbraw/zinc/10/43/98/277104398.db2.gz ILQSNAAXONZEOY-MRXNPFEDSA-N 1 0 290.407 1.517 40 0 CDABRO C[C@@H]([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000095097549 278304089 /nfs/dbraw/zinc/30/40/89/278304089.db2.gz RNKKALXWIGYFSG-ZCFIWIBFSA-N 1 0 289.198 1.743 40 0 CDABRO O=C1NCCO[C@H]2C[N@H+](CC3CCCCC3)CC[C@@H]12 ZINC000096110834 280290520 /nfs/dbraw/zinc/29/05/20/280290520.db2.gz FYGUURZGHDOSSD-KGLIPLIRSA-N 1 0 266.385 1.404 40 0 CDABRO CN(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000089212819 289165031 /nfs/dbraw/zinc/16/50/31/289165031.db2.gz IKALCVDTMSBHNP-ZDUSSCGKSA-N 1 0 285.432 1.927 40 0 CDABRO O=C(NCC1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000020429595 326862737 /nfs/dbraw/zinc/86/27/37/326862737.db2.gz YVXIDLSOTXHHCK-UHFFFAOYSA-N 1 0 276.336 1.187 40 0 CDABRO CCCCCC[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000062717760 333176194 /nfs/dbraw/zinc/17/61/94/333176194.db2.gz FGFIXPYPZSGZFA-UHFFFAOYSA-N 1 0 278.400 1.983 40 0 CDABRO C[NH+](C)[C@@H]1COC[C@@H]1Oc1ncccc1Br ZINC000585654012 1160096570 /nfs/dbraw/zinc/09/65/70/1160096570.db2.gz BHZBUVSKYSLXFF-ZJUUUORDSA-N 1 0 287.157 1.552 40 0 CDABRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1scnc1C)C2 ZINC000096038770 185069017 /nfs/dbraw/zinc/06/90/17/185069017.db2.gz MYXWBXPQPSNGCD-TZMCWYRMSA-N 1 0 295.408 1.179 40 0 CDABRO CN(C)C(=O)[C@H]1C[C@]2(CO1)CCC[N@H+](Cc1ccco1)C2 ZINC000096048877 185073560 /nfs/dbraw/zinc/07/35/60/185073560.db2.gz DWKSADKZWDYAEX-GDBMZVCRSA-N 1 0 292.379 1.739 40 0 CDABRO COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)O1 ZINC000096056381 185077865 /nfs/dbraw/zinc/07/78/65/185077865.db2.gz MUPIIAPECUXWLV-RBSFLKMASA-N 1 0 262.353 1.850 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000050912473 361922900 /nfs/dbraw/zinc/92/29/00/361922900.db2.gz AHHHAAGGVNJIMM-LBPRGKRZSA-N 1 0 250.367 1.609 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)CC2CCCCC2)C[C@H]1O ZINC000205679472 343338999 /nfs/dbraw/zinc/33/89/99/343338999.db2.gz RNJZWCXGTMZPHJ-CHWSQXEVSA-N 1 0 254.374 1.090 40 0 CDABRO CN1C[C@H]([NH3+])[C@H](c2cccc(Br)c2)C1 ZINC000216411416 348727793 /nfs/dbraw/zinc/72/77/93/348727793.db2.gz JJDHYTTYWQJHLO-QWRGUYRKSA-N 1 0 255.159 1.805 40 0 CDABRO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C)s2)[C@@H]2CCO[C@@H]21 ZINC000108526750 186221376 /nfs/dbraw/zinc/22/13/76/186221376.db2.gz JYHUQIRDFIHWFD-YNEHKIRRSA-N 1 0 280.393 1.392 40 0 CDABRO C[C@H]1C[C@H](NCc2nncn2-c2ccccc2)CC[N@@H+]1C ZINC000152621779 188032820 /nfs/dbraw/zinc/03/28/20/188032820.db2.gz BNZSPDSGMKDABE-UONOGXRCSA-N 1 0 285.395 1.840 40 0 CDABRO CCCOc1ccc2c(c1)CCN(C(=O)[C@H](C)[NH3+])C2 ZINC000157794395 188339227 /nfs/dbraw/zinc/33/92/27/188339227.db2.gz HOKWCKXFOLNKIM-NSHDSACASA-N 1 0 262.353 1.707 40 0 CDABRO C[C@H]1C[NH+](C[C@H](O)COC2CCCC2)C[C@H](C)O1 ZINC000035074989 355954851 /nfs/dbraw/zinc/95/48/51/355954851.db2.gz VKESFLWTZYJZIP-AVGNSLFASA-N 1 0 257.374 1.416 40 0 CDABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](O)[C@@H]2COC(=O)c1ccccc1 ZINC000004409180 356030936 /nfs/dbraw/zinc/03/09/36/356030936.db2.gz TXIYBPZUJGKOLX-YJNKXOJESA-N 1 0 275.348 1.687 40 0 CDABRO C[N@H+](CCO)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391646 356988146 /nfs/dbraw/zinc/98/81/46/356988146.db2.gz JESLVIJOYXCDQE-OAHLLOKOSA-N 1 0 292.379 1.569 40 0 CDABRO OCC[N@H+](Cc1ccnc(Br)c1)C1CC1 ZINC000079421555 356996159 /nfs/dbraw/zinc/99/61/59/356996159.db2.gz GOWQDVTUNRNCOO-UHFFFAOYSA-N 1 0 271.158 1.801 40 0 CDABRO C[C@H]1C[NH2+]CCN1C(=O)COc1ccc(Cl)cc1 ZINC000054369770 357318744 /nfs/dbraw/zinc/31/87/44/357318744.db2.gz SMSOPCSUBLRHEC-JTQLQIEISA-N 1 0 268.744 1.539 40 0 CDABRO [NH3+]Cc1ccc([C@H]2CNC(=O)C2)c(C(F)(F)F)c1 ZINC000199775271 358092252 /nfs/dbraw/zinc/09/22/52/358092252.db2.gz HIYXYGMNXRUIBL-MRVPVSSYSA-N 1 0 258.243 1.768 40 0 CDABRO CC(=O)N1CC2(C1)C[C@@H](COCc1ccccn1)C[N@H+]2C ZINC000585093881 358099099 /nfs/dbraw/zinc/09/90/99/358099099.db2.gz MLSVWYLVWFDIAD-CQSZACIVSA-N 1 0 289.379 1.151 40 0 CDABRO C[NH+](C)[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096040574 358706315 /nfs/dbraw/zinc/70/63/15/358706315.db2.gz LIEUKYFFGHJFRR-CFVMTHIKSA-N 1 0 264.369 1.821 40 0 CDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccco2)C1 ZINC000096059170 358707514 /nfs/dbraw/zinc/70/75/14/358707514.db2.gz IABUOIACKWRZPI-CYBMUJFWSA-N 1 0 274.368 1.670 40 0 CDABRO c1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)nc1 ZINC000096161575 358710911 /nfs/dbraw/zinc/71/09/11/358710911.db2.gz GZOQDSPPAMRDOG-OKILXGFUSA-N 1 0 281.363 1.440 40 0 CDABRO Cc1csc(CN2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)n1 ZINC000096207964 358720619 /nfs/dbraw/zinc/72/06/19/358720619.db2.gz DLLPFGWBVYOPCN-OCCSQVGLSA-N 1 0 281.425 1.462 40 0 CDABRO COCC(=O)N[C@H]1COCCC12CC[NH+](C(C)C)CC2 ZINC000096209663 358720988 /nfs/dbraw/zinc/72/09/88/358720988.db2.gz TUYCGOAYFULTBF-ZDUSSCGKSA-N 1 0 284.400 1.029 40 0 CDABRO COCC[N@@H+]1CC[C@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096218486 358722161 /nfs/dbraw/zinc/72/21/61/358722161.db2.gz BARYWAMDNKJXDT-HOTGVXAUSA-N 1 0 277.364 1.945 40 0 CDABRO CC(C)CC[N@@H+]1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253129 358727974 /nfs/dbraw/zinc/72/79/74/358727974.db2.gz CDIQOOSQMSMVMP-QLFBSQMISA-N 1 0 280.412 1.791 40 0 CDABRO CC(C)N(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096268899 358731521 /nfs/dbraw/zinc/73/15/21/358731521.db2.gz SQZLXPUBUODKCY-LBPRGKRZSA-N 1 0 254.374 1.402 40 0 CDABRO Cc1cc(Cl)ccc1N1CC[C@@H](C[NH3+])S1(=O)=O ZINC000222544859 359353038 /nfs/dbraw/zinc/35/30/38/359353038.db2.gz PVKIJAARFWIPEU-JTQLQIEISA-N 1 0 274.773 1.516 40 0 CDABRO [NH3+][C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000050228360 359399926 /nfs/dbraw/zinc/39/99/26/359399926.db2.gz FFXNXJLDPHEZNJ-QMMMGPOBSA-N 1 0 258.243 1.879 40 0 CDABRO Cc1cc(N2CC[NH2+]CC2)nc(COc2ccccc2)n1 ZINC000225321397 359575859 /nfs/dbraw/zinc/57/58/59/359575859.db2.gz JASGNQQQCHJCJF-UHFFFAOYSA-N 1 0 284.363 1.774 40 0 CDABRO O=C(NCCC[NH+]1CCCC1)[C@@H]1COc2ccccc2O1 ZINC000010450096 365240277 /nfs/dbraw/zinc/24/02/77/365240277.db2.gz KDVBBKHIZMJBOO-HNNXBMFYSA-N 1 0 290.363 1.429 40 0 CDABRO O=S(=O)(c1ccc(F)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000033426360 367282394 /nfs/dbraw/zinc/28/23/94/367282394.db2.gz BCULHANTBNPCNO-ZDUSSCGKSA-N 1 0 284.356 1.200 40 0 CDABRO CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)C[NH3+])CC1 ZINC000079409158 284193387 /nfs/dbraw/zinc/19/33/87/284193387.db2.gz QFXWKSNBSZNQQP-UHFFFAOYSA-N 1 0 285.388 1.193 40 0 CDABRO C[C@@H](O)C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC000096073085 296181828 /nfs/dbraw/zinc/18/18/28/296181828.db2.gz FMFLOJUJFIGFMW-OCCSQVGLSA-N 1 0 269.385 1.417 40 0 CDABRO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000026781286 373918661 /nfs/dbraw/zinc/91/86/61/373918661.db2.gz VYKFBFNXEXRAIY-LBPRGKRZSA-N 1 0 287.787 1.749 40 0 CDABRO O=C(NC[C@@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000225450512 374410450 /nfs/dbraw/zinc/41/04/50/374410450.db2.gz DYNPSEBREBFIRM-DOMZBBRYSA-N 1 0 258.365 1.660 40 0 CDABRO Cc1ccc(F)cc1CSc1nnnn1CC[NH+](C)C ZINC000225458233 374437512 /nfs/dbraw/zinc/43/75/12/374437512.db2.gz GWWCXYPPCZAVJY-UHFFFAOYSA-N 1 0 295.387 1.975 40 0 CDABRO COc1cc(OC)cc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000019840895 374805711 /nfs/dbraw/zinc/80/57/11/374805711.db2.gz SZEXTGUURAXLBJ-OZVIIMIRSA-N 1 0 294.395 1.813 40 0 CDABRO c1cc(N2CCCC2)cn2nc([C@@H]3CCC[NH2+]C3)nc12 ZINC000306139621 374970627 /nfs/dbraw/zinc/97/06/27/374970627.db2.gz TVYMVIGXEKYNNL-GFCCVEGCSA-N 1 0 271.368 1.797 40 0 CDABRO CC(C)(C)OC(=O)N1CCC2(CC1)COCCC[NH2+]2 ZINC000306145624 374972538 /nfs/dbraw/zinc/97/25/38/374972538.db2.gz KVJJELGZDNVZMF-UHFFFAOYSA-N 1 0 270.373 1.766 40 0 CDABRO CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000225720274 375189807 /nfs/dbraw/zinc/18/98/07/375189807.db2.gz NNBIPYOTTADLRA-AWEZNQCLSA-N 1 0 270.417 1.896 40 0 CDABRO Cn1ncc(CNCCC[NH+](C)C)c1C(F)(F)F ZINC000256050336 190002898 /nfs/dbraw/zinc/00/28/98/190002898.db2.gz DQQOQEFZJGDRQC-UHFFFAOYSA-N 1 0 264.295 1.480 40 0 CDABRO c1nc2ncccn2c1-c1cnc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000257199890 190010909 /nfs/dbraw/zinc/01/09/09/190010909.db2.gz ABDZJHXLEZFKEF-GFCCVEGCSA-N 1 0 294.362 1.728 40 0 CDABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[NH2+]C2)c1 ZINC000257200635 190010942 /nfs/dbraw/zinc/01/09/42/190010942.db2.gz AEEIHZCFAJVDGD-LBPRGKRZSA-N 1 0 297.362 1.292 40 0 CDABRO Cc1ncccc1C(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257232867 190016737 /nfs/dbraw/zinc/01/67/37/190016737.db2.gz GMTOUHVNPIDSID-RBSFLKMASA-N 1 0 289.379 1.108 40 0 CDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000217670469 375700452 /nfs/dbraw/zinc/70/04/52/375700452.db2.gz UEVQFQHLXDQCMU-GHMZBOCLSA-N 1 0 263.293 1.234 40 0 CDABRO O[C@@H]1C[N@H+](CC2CC2)C[C@H]1Oc1cccc(F)c1 ZINC000257239885 190017635 /nfs/dbraw/zinc/01/76/35/190017635.db2.gz HRFOGWQOJBBGCL-ZIAGYGMSSA-N 1 0 251.301 1.660 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000257245224 190019539 /nfs/dbraw/zinc/01/95/39/190019539.db2.gz IOOJFMUGXUPXAK-OAHLLOKOSA-N 1 0 296.798 1.408 40 0 CDABRO CCOC[C@@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217990148 375771689 /nfs/dbraw/zinc/77/16/89/375771689.db2.gz DAQSKKYMPSSIME-KBPBESRZSA-N 1 0 283.393 1.523 40 0 CDABRO Cc1cnccc1C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257282995 190026504 /nfs/dbraw/zinc/02/65/04/190026504.db2.gz OWFRRDOETGFLPE-GJZGRUSLSA-N 1 0 262.353 1.506 40 0 CDABRO CO[C@H]1C[N@H+](Cc2cncn2C)CC[C@@]12CCCO2 ZINC000257296536 190028187 /nfs/dbraw/zinc/02/81/87/190028187.db2.gz RDFUCUIUTYRHKQ-KBPBESRZSA-N 1 0 265.357 1.190 40 0 CDABRO CNC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000257304081 190030783 /nfs/dbraw/zinc/03/07/83/190030783.db2.gz SJZGJRKSCZIQHN-CQSZACIVSA-N 1 0 298.390 1.801 40 0 CDABRO CN1CC[N@H+](Cc2ccc3ncccc3c2)C[C@@H](C(N)=O)C1 ZINC000257313884 190032168 /nfs/dbraw/zinc/03/21/68/190032168.db2.gz UUMQMMWBADQMNU-HNNXBMFYSA-N 1 0 298.390 1.084 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2ccnc(C(=O)NC3CC3)c2)C1 ZINC000257315182 190032864 /nfs/dbraw/zinc/03/28/64/190032864.db2.gz VAGVCNPAKVRPBT-GFCCVEGCSA-N 1 0 259.353 1.783 40 0 CDABRO COc1ccc([C@H]2C[N@H+](C)C[C@H]2CO)cc1OC ZINC000242718283 256697745 /nfs/dbraw/zinc/69/77/45/256697745.db2.gz XHXDOFSAVHGMOV-NWDGAFQWSA-N 1 0 251.326 1.341 40 0 CDABRO Cc1cnc(N2CC[C@@H]([NH+](C)C)[C@@H]2Cc2cccnc2)nc1 ZINC000096200839 256821217 /nfs/dbraw/zinc/82/12/17/256821217.db2.gz AIBSQYVGVDTJAB-CVEARBPZSA-N 1 0 297.406 1.932 40 0 CDABRO COCCN1C(=O)CCC12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000096228049 256828863 /nfs/dbraw/zinc/82/88/63/256828863.db2.gz NGYQEUKTHRDOBE-AWEZNQCLSA-N 1 0 296.411 1.126 40 0 CDABRO CCC(=O)N1CC[C@@H](OC)[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000096108610 390912960 /nfs/dbraw/zinc/91/29/60/390912960.db2.gz REMSGRMJYCWMBG-RRFJBIMHSA-N 1 0 292.379 1.737 40 0 CDABRO COCCC[N@@H+]1CCCC12CCN(C(C)=O)CC2 ZINC000096075276 398069525 /nfs/dbraw/zinc/06/95/25/398069525.db2.gz HUEIXDVPSIDMKU-UHFFFAOYSA-N 1 0 254.374 1.500 40 0 CDABRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)C)C12CCOCC2 ZINC000186340377 286285013 /nfs/dbraw/zinc/28/50/13/286285013.db2.gz NAHQORQUIOKNQZ-BFHYXJOUSA-N 1 0 271.401 1.567 40 0 CDABRO CCOCCC[NH2+]CC(=O)Nc1ccc(OC)cc1OC ZINC000004895411 170037247 /nfs/dbraw/zinc/03/72/47/170037247.db2.gz RTCUBCIXVPNRLH-UHFFFAOYSA-N 1 0 296.367 1.659 40 0 CDABRO COC(=O)[C@@H](CCCC[NH3+])NC(=O)OC(C)(C)C ZINC000021991980 171346831 /nfs/dbraw/zinc/34/68/31/171346831.db2.gz UEBNVLLIWJWEKV-SECBINFHSA-N 1 0 260.334 1.182 40 0 CDABRO C[C@@H]1Cc2ccccc2N1C[C@]1(O)CCC[N@H+](C)C1 ZINC000072240971 176348689 /nfs/dbraw/zinc/34/86/89/176348689.db2.gz XHIONXYOTPIENM-CJNGLKHVSA-N 1 0 260.381 1.894 40 0 CDABRO Cn1nccc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH+](C)C ZINC000072245576 176349918 /nfs/dbraw/zinc/34/99/18/176349918.db2.gz HEDDMWVILPHQQM-VXGBXAGGSA-N 1 0 264.373 1.270 40 0 CDABRO Cc1nc([C@@H]2CC[NH2+]C2)cc(N2CCCOCC2)n1 ZINC000072386874 176392158 /nfs/dbraw/zinc/39/21/58/176392158.db2.gz CXOODSTZTFQXLF-GFCCVEGCSA-N 1 0 262.357 1.089 40 0 CDABRO Cc1ccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)o1 ZINC000072397565 176395106 /nfs/dbraw/zinc/39/51/06/176395106.db2.gz LCVHXNSVPJGZNT-CYZMBNFOSA-N 1 0 250.342 1.227 40 0 CDABRO CCC[N@@H+]1CCCN(C(=O)c2nccn3ccnc23)CC1 ZINC000077988056 177314606 /nfs/dbraw/zinc/31/46/06/177314606.db2.gz VELHYILNAUGFSP-UHFFFAOYSA-N 1 0 287.367 1.287 40 0 CDABRO CSc1nccnc1CN(C(=O)[C@H](C)[NH3+])C1CC1 ZINC000079435729 177489490 /nfs/dbraw/zinc/48/94/90/177489490.db2.gz IBAXCNQXDOLIHH-QMMMGPOBSA-N 1 0 266.370 1.037 40 0 CDABRO CC[N@H+](CCO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391669 279209480 /nfs/dbraw/zinc/20/94/80/279209480.db2.gz ZVVXLQXDMAQQGH-HNNXBMFYSA-N 1 0 292.379 1.712 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000079391214 279392070 /nfs/dbraw/zinc/39/20/70/279392070.db2.gz QPMPOAUWZYTLDZ-WDEREUQCSA-N 1 0 285.388 1.192 40 0 CDABRO Cc1c(NC(=O)[C@@H]2C[NH2+]CCO2)n[nH]c1-c1ccccc1 ZINC000257198094 280245630 /nfs/dbraw/zinc/24/56/30/280245630.db2.gz SLKFSWAWJPWLJR-LBPRGKRZSA-N 1 0 286.335 1.312 40 0 CDABRO Cc1nccc(N2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000257290195 302709574 /nfs/dbraw/zinc/70/95/74/302709574.db2.gz QBYRCJTYOMBPSD-CQSZACIVSA-N 1 0 254.337 1.936 40 0 CDABRO CC(C)(CO)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000017112977 519280263 /nfs/dbraw/zinc/28/02/63/519280263.db2.gz YSUMQTFXIXWFCO-AWEZNQCLSA-N 1 0 289.375 1.940 40 0 CDABRO COc1ccccc1OCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000237141410 537091427 /nfs/dbraw/zinc/09/14/27/537091427.db2.gz CUQJKRACBJTXKX-GFCCVEGCSA-N 1 0 278.352 1.414 40 0 CDABRO COc1cc(N[C@H](C)C[C@@H]2COCC[NH2+]2)cc(OC)c1 ZINC000133343326 930366696 /nfs/dbraw/zinc/36/66/96/930366696.db2.gz YDPUHAPWLCWAIY-DGCLKSJQSA-N 1 0 280.368 1.883 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(-c2ccoc2)c1 ZINC001548448144 967500195 /nfs/dbraw/zinc/50/01/95/967500195.db2.gz NZFXMJRUQMOQPE-HUUCEWRRSA-N 1 0 286.331 1.663 40 0 CDABRO C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040050 185068851 /nfs/dbraw/zinc/06/88/51/185068851.db2.gz FWARSUXQPVHYOF-HUUCEWRRSA-N 1 0 262.353 1.961 40 0 CDABRO c1cnc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)nc1 ZINC000096048400 185072427 /nfs/dbraw/zinc/07/24/27/185072427.db2.gz DGERXOLUBVBWDX-GDBMZVCRSA-N 1 0 288.395 1.922 40 0 CDABRO CN(C)C(=O)CO[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096047838 185073483 /nfs/dbraw/zinc/07/34/83/185073483.db2.gz XXSZPFLIJKQWEC-CQSZACIVSA-N 1 0 296.411 1.125 40 0 CDABRO COC[C@@H]1CCC[C@@]12C[N@H+](CC1CCOCC1)CCO2 ZINC000096051858 185074744 /nfs/dbraw/zinc/07/47/44/185074744.db2.gz RYPHHTLTHSHJLM-JKSUJKDBSA-N 1 0 283.412 1.931 40 0 CDABRO c1nncn1[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccnc1)C2 ZINC000096073845 185087585 /nfs/dbraw/zinc/08/75/85/185087585.db2.gz OIPNZFOHLDQELK-JKSUJKDBSA-N 1 0 299.378 1.669 40 0 CDABRO CN(C)C(=O)C[N@@H+]1C[C@H]2CCCN(Cc3ccoc3)[C@H]2C1 ZINC000096081529 185091535 /nfs/dbraw/zinc/09/15/35/185091535.db2.gz UUZOBMBOMAWISW-CABCVRRESA-N 1 0 291.395 1.264 40 0 CDABRO COCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccco3)CC[C@H]21 ZINC000247840085 362135301 /nfs/dbraw/zinc/13/53/01/362135301.db2.gz KOUAPVKUYYGZHZ-CHWSQXEVSA-N 1 0 278.352 1.462 40 0 CDABRO C[NH+]1CC2(C1)C[C@H](Oc1ncccc1F)CS2 ZINC000248083189 362149972 /nfs/dbraw/zinc/14/99/72/362149972.db2.gz QMHZFUJYPCKNFR-VIFPVBQESA-N 1 0 254.330 1.789 40 0 CDABRO Fc1cccc(-c2nsc(N3CC[NH2+]CC3)n2)c1 ZINC000144239808 362251125 /nfs/dbraw/zinc/25/11/25/362251125.db2.gz ROJKZMMESWROSJ-UHFFFAOYSA-N 1 0 264.329 1.754 40 0 CDABRO CN(C)[C@H](C[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000255188859 362492667 /nfs/dbraw/zinc/49/26/67/362492667.db2.gz MASDWELVFFSFEB-GFCCVEGCSA-N 1 0 269.776 1.770 40 0 CDABRO Cc1nnc2n1[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]1CC2 ZINC000019288368 282365822 /nfs/dbraw/zinc/36/58/22/282365822.db2.gz FRLQNCNNAWEIAQ-KGLIPLIRSA-N 1 0 269.352 1.601 40 0 CDABRO O=C(C[NH+]1CCCC1)N[C@H]1CCCN(c2ccccn2)C1 ZINC000257221880 362578400 /nfs/dbraw/zinc/57/84/00/362578400.db2.gz DQYAJNDTKHQGOE-AWEZNQCLSA-N 1 0 288.395 1.262 40 0 CDABRO O=S(=O)(c1nc2ccccc2s1)N1CCC[NH2+]CC1 ZINC000085397254 179050164 /nfs/dbraw/zinc/05/01/64/179050164.db2.gz ZQELRBNDJUTMOO-UHFFFAOYSA-N 1 0 297.405 1.280 40 0 CDABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]12)N1CCCC1 ZINC000107745918 186189631 /nfs/dbraw/zinc/18/96/31/186189631.db2.gz IHFCXQMKPAFSSP-MUJYYYPQSA-N 1 0 285.391 1.772 40 0 CDABRO COc1ccccc1C[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108527663 186220773 /nfs/dbraw/zinc/22/07/73/186220773.db2.gz IVKXSHZMECDRTA-HOCLYGCPSA-N 1 0 276.380 1.600 40 0 CDABRO CNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccncc1)C2 ZINC000108530015 186222573 /nfs/dbraw/zinc/22/25/73/186222573.db2.gz CJJZFCXGSMEJIR-HOCLYGCPSA-N 1 0 273.380 1.820 40 0 CDABRO C[C@@H]([NH3+])C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000157428158 188317057 /nfs/dbraw/zinc/31/70/57/188317057.db2.gz JJOWOVLCKLXQBM-ZYHUDNBSSA-N 1 0 252.314 1.134 40 0 CDABRO C[NH2+]CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005043819 356048362 /nfs/dbraw/zinc/04/83/62/356048362.db2.gz LJTDFQLZVZNKGE-QFGHMXTESA-N 1 0 250.386 1.927 40 0 CDABRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)c1C ZINC000019527293 356490594 /nfs/dbraw/zinc/49/05/94/356490594.db2.gz QGTJQCGDUVDFDI-LBPRGKRZSA-N 1 0 264.373 1.333 40 0 CDABRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000073743317 356933332 /nfs/dbraw/zinc/93/33/32/356933332.db2.gz YXHGWXRQOJFUDZ-UHFFFAOYSA-N 1 0 291.395 1.600 40 0 CDABRO CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(=O)OC(C)(C)C ZINC000079409076 356991963 /nfs/dbraw/zinc/99/19/63/356991963.db2.gz BGJVREPUQRAPQJ-NSHDSACASA-N 1 0 285.388 1.051 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@H]1CC[N@H+](CCO)C1)C1CC1 ZINC000079408197 356992595 /nfs/dbraw/zinc/99/25/95/356992595.db2.gz PPFICRCNTMBZCF-LBPRGKRZSA-N 1 0 284.400 1.700 40 0 CDABRO COc1ccc(CN(C(=O)[C@H](C)[NH3+])C(C)C)cc1 ZINC000079420317 356996153 /nfs/dbraw/zinc/99/61/53/356996153.db2.gz KTMHWXVWJSHMQA-NSHDSACASA-N 1 0 250.342 1.779 40 0 CDABRO CO[C@@H]1CC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000225584578 357287419 /nfs/dbraw/zinc/28/74/19/357287419.db2.gz PPZJGGGULNKLEU-ZIAGYGMSSA-N 1 0 283.416 1.681 40 0 CDABRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)c(F)cc1F ZINC000135216181 357788084 /nfs/dbraw/zinc/78/80/84/357788084.db2.gz JNYAMJAMJQFMGM-SECBINFHSA-N 1 0 254.280 1.755 40 0 CDABRO Cn1nc(C(F)(F)F)cc1OCC1CC[NH2+]CC1 ZINC000095096451 366446716 /nfs/dbraw/zinc/44/67/16/366446716.db2.gz AJAQTHPCLAKAIQ-UHFFFAOYSA-N 1 0 263.263 1.817 40 0 CDABRO CSCC[C@H](C)[N@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000072666054 358544618 /nfs/dbraw/zinc/54/46/18/358544618.db2.gz AIGZIGFVSBFLBY-RWMBFGLXSA-N 1 0 288.457 1.696 40 0 CDABRO CCS(=O)(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096049307 358707186 /nfs/dbraw/zinc/70/71/86/358707186.db2.gz LJZSHLDLKBSBRU-UHFFFAOYSA-N 1 0 286.441 1.677 40 0 CDABRO CN(C)[C@@H]1COC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000096185720 358714183 /nfs/dbraw/zinc/71/41/83/358714183.db2.gz UHKAYCGIZRZTQR-HRCADAONSA-N 1 0 260.381 1.695 40 0 CDABRO CCO[C@H]1CC[N@H+](CC(=O)N(C)C)[C@H]1Cc1ccccc1 ZINC000096200402 358718604 /nfs/dbraw/zinc/71/86/04/358718604.db2.gz MOQUYTTVTHBJNW-HOTGVXAUSA-N 1 0 290.407 1.797 40 0 CDABRO C[C@@H]1CO[C@@]2(C1)CCCN(Cc1csnn1)C2 ZINC000096221988 358722811 /nfs/dbraw/zinc/72/28/11/358722811.db2.gz MCFJECCHPWUWEG-CMPLNLGQSA-N 1 0 253.371 1.929 40 0 CDABRO CN1CCN(C)C2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000096230015 358724241 /nfs/dbraw/zinc/72/42/41/358724241.db2.gz OYGYIFCDCOSAEY-UHFFFAOYSA-N 1 0 293.436 1.487 40 0 CDABRO c1cnn(Cc2nnc3n2CCC[N@@H+](CC2CC2)C3)c1 ZINC000096259657 358729622 /nfs/dbraw/zinc/72/96/22/358729622.db2.gz JSCOYWPJIAMGEV-UHFFFAOYSA-N 1 0 272.356 1.139 40 0 CDABRO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[NH2+]CC2 ZINC000096260515 358729763 /nfs/dbraw/zinc/72/97/63/358729763.db2.gz AYZOIFGFTQJMHY-UHFFFAOYSA-N 1 0 290.411 1.540 40 0 CDABRO Cc1cc(N2CC[NH2+]CC2)nc(Cc2ccccc2)n1 ZINC000225321337 359576283 /nfs/dbraw/zinc/57/62/83/359576283.db2.gz ALDYVHDULCCNDC-UHFFFAOYSA-N 1 0 268.364 1.785 40 0 CDABRO CC(C)NC(=O)c1ccc(N2CC[NH+](C)CC2)c(N)c1 ZINC000225439393 359589862 /nfs/dbraw/zinc/58/98/62/359589862.db2.gz PPXLTYYQVUCBCV-UHFFFAOYSA-N 1 0 276.384 1.159 40 0 CDABRO C[NH+]1CCC(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000120965790 360099743 /nfs/dbraw/zinc/09/97/43/360099743.db2.gz DZBLKJZNUMYXCT-UHFFFAOYSA-N 1 0 282.409 1.697 40 0 CDABRO CC[NH2+]CCNC(=O)c1cc(F)cc(Br)c1 ZINC000054263724 360089198 /nfs/dbraw/zinc/08/91/98/360089198.db2.gz YOYUAQJMEBDVSE-UHFFFAOYSA-N 1 0 289.148 1.928 40 0 CDABRO CNC(=O)c1ccc(C[N@H+](C)CC[C@@H](C)O)cc1 ZINC000075782313 360464137 /nfs/dbraw/zinc/46/41/37/360464137.db2.gz UDNBUWCORHYSOU-LLVKDONJSA-N 1 0 250.342 1.249 40 0 CDABRO CC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)[C@H]1CCCO1 ZINC000133668008 365192967 /nfs/dbraw/zinc/19/29/67/365192967.db2.gz XYHPBYKTNMMLEK-NEXFUWMNSA-N 1 0 268.401 1.981 40 0 CDABRO COc1cccc(CN(C)C(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000037797882 367279297 /nfs/dbraw/zinc/27/92/97/367279297.db2.gz CJSKXYJXBKOFJK-ZDUSSCGKSA-N 1 0 250.342 1.637 40 0 CDABRO CC[C@H](COc1ccccc1)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000225488617 374495569 /nfs/dbraw/zinc/49/55/69/374495569.db2.gz BBEAKQNQUZYKKV-DOMZBBRYSA-N 1 0 280.343 1.662 40 0 CDABRO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c(C)o1 ZINC000225485931 374496043 /nfs/dbraw/zinc/49/60/43/374496043.db2.gz DRYAMBRBECYVBI-GFCCVEGCSA-N 1 0 286.397 1.564 40 0 CDABRO C[NH+](C)CC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21 ZINC000306128848 374968222 /nfs/dbraw/zinc/96/82/22/374968222.db2.gz HMLBIAFDPZHHEG-MRXNPFEDSA-N 1 0 285.395 1.787 40 0 CDABRO C[C@H]1CC[NH2+]C[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000217680111 375702873 /nfs/dbraw/zinc/70/28/73/375702873.db2.gz UOSNPYUZLQLHQU-WFASDCNBSA-N 1 0 258.365 1.817 40 0 CDABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ncc[nH]1 ZINC000257254074 190020931 /nfs/dbraw/zinc/02/09/31/190020931.db2.gz KBLKKOQPMYUKIY-ZDUSSCGKSA-N 1 0 272.352 1.565 40 0 CDABRO CCn1nccc1-c1cnc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257239099 190018086 /nfs/dbraw/zinc/01/80/86/190018086.db2.gz HNYBUBFVEPJKAE-LBPRGKRZSA-N 1 0 271.368 1.902 40 0 CDABRO c1cnc(Nc2cnc([C@@H]3CCC[NH2+]C3)cn2)cn1 ZINC000257250461 190019887 /nfs/dbraw/zinc/01/98/87/190019887.db2.gz JMPJZLCUTVMXHU-SNVBAGLBSA-N 1 0 256.313 1.477 40 0 CDABRO Fc1cccc(-c2nccnc2[C@H]2C[NH2+]CCO2)c1 ZINC000257306319 190031037 /nfs/dbraw/zinc/03/10/37/190031037.db2.gz STUQOQWREDTOLR-GFCCVEGCSA-N 1 0 259.284 1.944 40 0 CDABRO CC[NH+](CC)CCCNC(=S)NCc1ccn(C)n1 ZINC000002791629 378055225 /nfs/dbraw/zinc/05/52/25/378055225.db2.gz HWYVNAHHHXNQRD-UHFFFAOYSA-N 1 0 283.445 1.116 40 0 CDABRO Cn1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cn1 ZINC000040466619 378098655 /nfs/dbraw/zinc/09/86/55/378098655.db2.gz HJRVWULBTUZNQJ-UHFFFAOYSA-N 1 0 299.378 1.424 40 0 CDABRO [NH3+]CCn1cc(C(=O)NC2CCCCCC2)cn1 ZINC000096528573 390538480 /nfs/dbraw/zinc/53/84/80/390538480.db2.gz HGMXVLVWVPITTN-UHFFFAOYSA-N 1 0 250.346 1.294 40 0 CDABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccccn2)C1 ZINC000096059179 390912349 /nfs/dbraw/zinc/91/23/49/390912349.db2.gz QBHKKWHHZXHFOS-AWEZNQCLSA-N 1 0 285.395 1.472 40 0 CDABRO CO[C@H]1CCN(C(C)=O)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096109486 390912970 /nfs/dbraw/zinc/91/29/70/390912970.db2.gz MFYKBMBQZHAKGG-XHSDSOJGSA-N 1 0 289.379 1.149 40 0 CDABRO Cc1ccc(N2C(=O)C[C@]3(CCC[NH2+]C3)C2=O)cc1 ZINC000096157215 390913336 /nfs/dbraw/zinc/91/33/36/390913336.db2.gz OUQQUODRWZUVOE-HNNXBMFYSA-N 1 0 258.321 1.628 40 0 CDABRO Cc1nc(N2CCOCC2)nc2c1C[N@H+](CC1CC1)CC2 ZINC000096253885 390913494 /nfs/dbraw/zinc/91/34/94/390913494.db2.gz UAIKKXCCTQTCHN-UHFFFAOYSA-N 1 0 288.395 1.390 40 0 CDABRO Cc1cc([C@@H]2CCCCN2C(=O)C[NH3+])nc2ccnn21 ZINC000257228112 391648201 /nfs/dbraw/zinc/64/82/01/391648201.db2.gz FSIOTHDZXOQIDW-LBPRGKRZSA-N 1 0 273.340 1.050 40 0 CDABRO CC(=O)NC1CCC([NH2+][C@H]2CCCCC[C@@H]2CO)CC1 ZINC000133577066 413118523 /nfs/dbraw/zinc/11/85/23/413118523.db2.gz MNECSVLOXBVPKF-LMPOIIKSSA-N 1 0 282.428 1.965 40 0 CDABRO Cc1nnc(C(=O)N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000353921493 156162402 /nfs/dbraw/zinc/16/24/02/156162402.db2.gz AAOCXUWNVGYKBI-UHFFFAOYSA-N 1 0 294.424 1.937 40 0 CDABRO CC[NH2+][C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000005022206 170057046 /nfs/dbraw/zinc/05/70/46/170057046.db2.gz ARGBYODCTOYLID-LBPRGKRZSA-N 1 0 290.319 1.105 40 0 CDABRO COc1cccc(OC[C@H](O)C[NH2+]C(C)(C)C)c1 ZINC000005831270 170144903 /nfs/dbraw/zinc/14/49/03/170144903.db2.gz UFKVGVHVQKTQAM-LLVKDONJSA-N 1 0 253.342 1.823 40 0 CDABRO CCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000006324156 170191488 /nfs/dbraw/zinc/19/14/88/170191488.db2.gz ZGUAHVRCKBKDSS-UHFFFAOYSA-N 1 0 286.759 1.712 40 0 CDABRO C[NH+](C)CCCOc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 ZINC000044216366 175154432 /nfs/dbraw/zinc/15/44/32/175154432.db2.gz ISTSPHMOKJXAJM-ZDUSSCGKSA-N 1 0 266.341 1.492 40 0 CDABRO NC(=[NH2+])CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000049468272 175481044 /nfs/dbraw/zinc/48/10/44/175481044.db2.gz AWZZXESARNTYLS-UHFFFAOYSA-N 1 0 281.381 1.340 40 0 CDABRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)ccc1F ZINC000063056104 175681407 /nfs/dbraw/zinc/68/14/07/175681407.db2.gz VNNPJDGXIQJMLV-UHFFFAOYSA-N 1 0 250.317 1.864 40 0 CDABRO O=C(N[C@H]1CCC[NH2+]C1)c1nccc2ccccc21 ZINC000071396959 176150078 /nfs/dbraw/zinc/15/00/78/176150078.db2.gz HGWSKJKSFOYRIU-LBPRGKRZSA-N 1 0 255.321 1.717 40 0 CDABRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)ccc1F ZINC000071412728 176157701 /nfs/dbraw/zinc/15/77/01/176157701.db2.gz LQMWYKAFDDITCZ-UFBFGSQYSA-N 1 0 254.280 1.693 40 0 CDABRO Cc1nc(C2CC[NH+](C3CCOCC3)CC2)no1 ZINC000072348528 176373404 /nfs/dbraw/zinc/37/34/04/176373404.db2.gz NBOPUYMGARUESG-UHFFFAOYSA-N 1 0 251.330 1.736 40 0 CDABRO OCC[N@@H+]1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000072361627 176377535 /nfs/dbraw/zinc/37/75/35/176377535.db2.gz DINJBUVFGRUTJQ-CYBMUJFWSA-N 1 0 299.378 1.787 40 0 CDABRO Cc1nc(C(=O)NCc2ccccn2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072365668 176381137 /nfs/dbraw/zinc/38/11/37/176381137.db2.gz YTYRBZSBOVSINE-ZDUSSCGKSA-N 1 0 297.362 1.535 40 0 CDABRO O=C(NC1CCC(O)CC1)c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072367575 176382672 /nfs/dbraw/zinc/38/26/72/176382672.db2.gz MALXOFOEUCJRKA-WXRRBKDZSA-N 1 0 289.379 1.539 40 0 CDABRO CNC(=O)c1cc([C@@H]2CCC[N@@H+](C(C)C)C2)n[nH]1 ZINC000072380443 176387188 /nfs/dbraw/zinc/38/71/88/176387188.db2.gz HAQUIAJYKYRZRQ-SNVBAGLBSA-N 1 0 250.346 1.357 40 0 CDABRO CNc1ccc(C[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)nn1 ZINC000072387288 176392650 /nfs/dbraw/zinc/39/26/50/176392650.db2.gz SPTTYAJDDNAUEI-GFCCVEGCSA-N 1 0 286.383 1.696 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1CCCc1ccccc1 ZINC000072397650 176394692 /nfs/dbraw/zinc/39/46/92/176394692.db2.gz FRDMDTTUQBHAQV-DJIMGWMZSA-N 1 0 274.408 1.759 40 0 CDABRO CCCCNC(=O)C[N@H+](C(C)C)C1CCOCC1 ZINC000077356740 177257311 /nfs/dbraw/zinc/25/73/11/177257311.db2.gz SVXVJGGLVUVGKF-UHFFFAOYSA-N 1 0 256.390 1.792 40 0 CDABRO Cc1ncc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000077957489 177312769 /nfs/dbraw/zinc/31/27/69/177312769.db2.gz MXHYTRMDMIOAFF-LBPRGKRZSA-N 1 0 298.408 1.965 40 0 CDABRO CCCNc1ncc(C[NH2+]Cc2ccncc2)cn1 ZINC000062717715 262302676 /nfs/dbraw/zinc/30/26/76/262302676.db2.gz ZIHNBBDHJDWMPG-UHFFFAOYSA-N 1 0 257.341 1.983 40 0 CDABRO CNC(=O)C[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096241884 265346100 /nfs/dbraw/zinc/34/61/00/265346100.db2.gz KWTPNSOQORBQSD-LBPRGKRZSA-N 1 0 258.365 1.931 40 0 CDABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccco2)N1c1cncnc1 ZINC000096081346 275021023 /nfs/dbraw/zinc/02/10/23/275021023.db2.gz OHUPWUWRLUWPMV-KGLIPLIRSA-N 1 0 284.319 1.449 40 0 CDABRO O[C@@]12c3ccccc3[C@H]1CCC[C@H]2[NH+]1CCOCC1 ZINC000017220251 275056407 /nfs/dbraw/zinc/05/64/07/275056407.db2.gz DRXFQSHRXGDRHM-OAGGEKHMSA-N 1 0 259.349 1.856 40 0 CDABRO C(C[C@@H]1CCOC12CC[NH2+]CC2)OCC1CCOCC1 ZINC000247905291 275394447 /nfs/dbraw/zinc/39/44/47/275394447.db2.gz WYHCUPOIDGOWPZ-OAHLLOKOSA-N 1 0 283.412 1.978 40 0 CDABRO C[NH+](C)CC[C@H]1CN(C(=O)N2CCCC2)Cc2ccnn21 ZINC000306135452 276764184 /nfs/dbraw/zinc/76/41/84/276764184.db2.gz ORBSHFFREXSUNZ-AWEZNQCLSA-N 1 0 291.399 1.407 40 0 CDABRO CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)NC(N)=O ZINC000077364607 279204037 /nfs/dbraw/zinc/20/40/37/279204037.db2.gz CMZZTMBVFUOBBT-LLVKDONJSA-N 1 0 255.362 1.472 40 0 CDABRO C[NH+](C)[C@H]1COC[C@H]1Oc1ncccc1C(F)(F)F ZINC000585655243 1160096425 /nfs/dbraw/zinc/09/64/25/1160096425.db2.gz YNUVPMRUSIGQQU-VHSXEESVSA-N 1 0 276.258 1.808 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC001548448202 969424980 /nfs/dbraw/zinc/42/49/80/969424980.db2.gz VIWZOWWZOAMBLT-OWYVNGRQSA-N 1 0 298.333 1.561 40 0 CDABRO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[C@H](C[NH+]1CCCC1)CO2 ZINC000575404338 342451754 /nfs/dbraw/zinc/45/17/54/342451754.db2.gz RUCWSNXROWNORE-RBSFLKMASA-N 1 0 292.423 1.746 40 0 CDABRO CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 ZINC000096057364 185077429 /nfs/dbraw/zinc/07/74/29/185077429.db2.gz AMKISBWEPSPZLI-MXWKQRLJSA-N 1 0 281.381 1.011 40 0 CDABRO Cc1ccc(C[NH2+]C[C@@H]2COCc3c(C)nnn3C2)s1 ZINC000096061117 185082574 /nfs/dbraw/zinc/08/25/74/185082574.db2.gz IMQUCPHEUJTNKI-LBPRGKRZSA-N 1 0 292.408 1.893 40 0 CDABRO O[C@@H]1CC[N@H+](Cc2ccco2)[C@H]1Cc1cccnc1 ZINC000096061598 185083218 /nfs/dbraw/zinc/08/32/18/185083218.db2.gz VLXBMIWDEHXYOR-LSDHHAIUSA-N 1 0 258.321 1.853 40 0 CDABRO Cn1ccc(C(=O)N2CC[C@@]3(CC[N@@H+]3CC3CC3)C2)n1 ZINC000096075994 185090184 /nfs/dbraw/zinc/09/01/84/185090184.db2.gz JPDXZLZSIYCSJI-OAHLLOKOSA-N 1 0 274.368 1.121 40 0 CDABRO COCC[N@@H+]1CC[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000096075962 185090363 /nfs/dbraw/zinc/09/03/63/185090363.db2.gz XBFRTFIFUGDROR-HNNXBMFYSA-N 1 0 266.385 1.500 40 0 CDABRO O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccccn2)N1c1cncnc1 ZINC000096081351 185091564 /nfs/dbraw/zinc/09/15/64/185091564.db2.gz XJBGVXAKVUSHQZ-GJZGRUSLSA-N 1 0 295.346 1.251 40 0 CDABRO COCC[N@@H+]1CCC[C@](O)(COc2ccc(C)cc2)C1 ZINC000585268910 342254462 /nfs/dbraw/zinc/25/44/62/342254462.db2.gz DFIVNKXMAFPZKG-MRXNPFEDSA-N 1 0 279.380 1.847 40 0 CDABRO C[NH2+]CC(=O)N1CC[C@@](COc2cccc(F)c2)(OC)C1 ZINC000585273070 342255816 /nfs/dbraw/zinc/25/58/16/342255816.db2.gz ABEOOYSRLPAVOO-OAHLLOKOSA-N 1 0 296.342 1.041 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@H]2CO[C@@H](C[NH3+])[C@H]2C1 ZINC000091304013 180130766 /nfs/dbraw/zinc/13/07/66/180130766.db2.gz HLBMPIBPEUZPJQ-DCAQKATOSA-N 1 0 256.346 1.217 40 0 CDABRO Cc1nc(CN2CC3(CC2=O)CC[NH2+]CC3)cs1 ZINC000091410294 180148387 /nfs/dbraw/zinc/14/83/87/180148387.db2.gz GZABZDAXVYISAL-UHFFFAOYSA-N 1 0 265.382 1.554 40 0 CDABRO O=C(c1ccco1)N1CC[N@@H+]2C[C@@H](OCC3CC3)C[C@H]2C1 ZINC000107746674 186189482 /nfs/dbraw/zinc/18/94/82/186189482.db2.gz IAXBEFAQFSYVPF-KBPBESRZSA-N 1 0 290.363 1.605 40 0 CDABRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000108531329 186221710 /nfs/dbraw/zinc/22/17/10/186221710.db2.gz ULIQMUFEQUMSEN-HOTGVXAUSA-N 1 0 276.380 1.600 40 0 CDABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cnn(C)c1)C2 ZINC000108535037 186221908 /nfs/dbraw/zinc/22/19/08/186221908.db2.gz WWXJGNFSFMFEPB-UKRRQHHQSA-N 1 0 276.384 1.158 40 0 CDABRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000136400059 363030706 /nfs/dbraw/zinc/03/07/06/363030706.db2.gz SVOCTDXHEGFSLH-GXTWGEPZSA-N 1 0 286.379 1.909 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C)c1 ZINC000004497869 356033174 /nfs/dbraw/zinc/03/31/74/356033174.db2.gz MLRCYIBLWFRYGA-AWEZNQCLSA-N 1 0 289.379 1.534 40 0 CDABRO O=C(COc1ccccc1)NCCC[NH+]1CCCC1 ZINC000013668076 356352690 /nfs/dbraw/zinc/35/26/90/356352690.db2.gz JAQLORANLKXZRP-UHFFFAOYSA-N 1 0 262.353 1.668 40 0 CDABRO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCO)CC2 ZINC000014983356 356402430 /nfs/dbraw/zinc/40/24/30/356402430.db2.gz XHYSNVFKHDADAF-SNVBAGLBSA-N 1 0 251.326 1.615 40 0 CDABRO C[C@@H]1CN(CCOc2ccccc2)[C@@H](C)C[N@@H+]1CCO ZINC000019365090 356483005 /nfs/dbraw/zinc/48/30/05/356483005.db2.gz CERXAIIVWSSCFY-CABCVRRESA-N 1 0 278.396 1.452 40 0 CDABRO CN1CCC([NH2+][C@H]2COC[C@@H]2c2ccc(F)cc2)CC1 ZINC000019588190 356492533 /nfs/dbraw/zinc/49/25/33/356492533.db2.gz ZLZXDWNURRFLGU-CVEARBPZSA-N 1 0 278.371 1.992 40 0 CDABRO Cc1c([C@H](C)NC(=O)CC2CC[NH+](C)CC2)cnn1C ZINC000019748363 356498858 /nfs/dbraw/zinc/49/88/58/356498858.db2.gz WKAMDFWQDPCOAF-NSHDSACASA-N 1 0 278.400 1.638 40 0 CDABRO COc1ccc(C2=NO[C@H](C[NH3+])C2)c(OC)c1OC ZINC000070434975 356893819 /nfs/dbraw/zinc/89/38/19/356893819.db2.gz VUFAYAWXNAVWQO-QMMMGPOBSA-N 1 0 266.297 1.164 40 0 CDABRO C[C@H]([NH3+])C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391203 356987916 /nfs/dbraw/zinc/98/79/16/356987916.db2.gz FJHQVKZYWFAPLF-JTQLQIEISA-N 1 0 285.388 1.097 40 0 CDABRO CN(CC1CCN(CC[NH3+])CC1)C(=O)OC(C)(C)C ZINC000079408401 356991955 /nfs/dbraw/zinc/99/19/55/356991955.db2.gz KWCIKMBORCMPHT-UHFFFAOYSA-N 1 0 271.405 1.524 40 0 CDABRO CCN(CC1CC[NH+](CCO)CC1)C(=O)OC(C)(C)C ZINC000079408031 356992605 /nfs/dbraw/zinc/99/26/05/356992605.db2.gz QUJXKEIFHMNDGE-UHFFFAOYSA-N 1 0 286.416 1.948 40 0 CDABRO CN(C(=O)OCc1ccccc1)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079411459 356993631 /nfs/dbraw/zinc/99/36/31/356993631.db2.gz UTJVYNHSZGVMRD-OAHLLOKOSA-N 1 0 291.395 1.678 40 0 CDABRO NC(=O)NC(=O)CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000060041751 357438946 /nfs/dbraw/zinc/43/89/46/357438946.db2.gz POSJYFMZRHSNCG-UHFFFAOYSA-N 1 0 289.379 1.874 40 0 CDABRO CC1CC[NH+](CCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC000072817075 357852138 /nfs/dbraw/zinc/85/21/38/357852138.db2.gz WMKUCZYACUQDMT-UHFFFAOYSA-N 1 0 281.444 1.566 40 0 CDABRO CCOC[C@@H]1C[N@H+](C)C2(CN(C(=O)c3ccncc3)C2)C1 ZINC000585093793 358099177 /nfs/dbraw/zinc/09/91/77/358099177.db2.gz GFFFENYKUBYTGP-ZDUSSCGKSA-N 1 0 289.379 1.264 40 0 CDABRO Cc1ccccc1C(=O)N1CC2(C1)C[C@H](CO)C[N@H+]2C ZINC000585093989 358099895 /nfs/dbraw/zinc/09/98/95/358099895.db2.gz WONQYENQIOPEKO-ZDUSSCGKSA-N 1 0 274.364 1.134 40 0 CDABRO c1cnc(N2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)nc1 ZINC000096047957 358706503 /nfs/dbraw/zinc/70/65/03/358706503.db2.gz VULUGUNNJZXOLP-CQSZACIVSA-N 1 0 288.395 1.700 40 0 CDABRO c1cnc(N2CC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)nc1 ZINC000096062519 358707062 /nfs/dbraw/zinc/70/70/62/358707062.db2.gz IXVGQSHXQZQIDI-MRXNPFEDSA-N 1 0 288.395 1.415 40 0 CDABRO c1ccc(CN2C[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)nc1 ZINC000096207292 358720089 /nfs/dbraw/zinc/72/00/89/358720089.db2.gz ZQNSZYRDUMRWFU-DOTOQJQBSA-N 1 0 287.407 1.624 40 0 CDABRO Cc1cccc(CN2CC[C@]3(CCC[NH2+]C3)C2=O)n1 ZINC000096224756 358723362 /nfs/dbraw/zinc/72/33/62/358723362.db2.gz GEGHJJDCLHOKHA-HNNXBMFYSA-N 1 0 259.353 1.492 40 0 CDABRO O=C1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2CN1c1cccnc1 ZINC000096245178 358725376 /nfs/dbraw/zinc/72/53/76/358725376.db2.gz KGYSCHPUBQWCGN-BBRMVZONSA-N 1 0 294.358 1.571 40 0 CDABRO Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3C(C)C)n1 ZINC000096245752 358725425 /nfs/dbraw/zinc/72/54/25/358725425.db2.gz ZMQNNQXKYCQABV-CABCVRRESA-N 1 0 273.380 1.974 40 0 CDABRO CC(C)N1CCO[C@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC000096246444 358725585 /nfs/dbraw/zinc/72/55/85/358725585.db2.gz UZLUZRYYNLVMML-YPMHNXCESA-N 1 0 264.325 1.213 40 0 CDABRO Cc1nc(CN2CCO[C@H]3C[N@@H+](C(C)C)C[C@H]32)cs1 ZINC000096248778 358726574 /nfs/dbraw/zinc/72/65/74/358726574.db2.gz ZNUZKASKQQOQJH-KGLIPLIRSA-N 1 0 281.425 1.745 40 0 CDABRO Cc1nc(CN2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cs1 ZINC000096249695 358726804 /nfs/dbraw/zinc/72/68/04/358726804.db2.gz SUPDXANKSHKQBZ-DGCLKSJQSA-N 1 0 267.398 1.262 40 0 CDABRO COc1ncnc2c1CC[N@H+](Cc1cccnc1)CC2 ZINC000096255565 358728551 /nfs/dbraw/zinc/72/85/51/358728551.db2.gz FVAFKEJIKHLAEX-UHFFFAOYSA-N 1 0 270.336 1.481 40 0 CDABRO Cc1ccc2nc(C3CC[NH+](CCO)CC3)nn2c1 ZINC000096260705 358729681 /nfs/dbraw/zinc/72/96/81/358729681.db2.gz SEHJVGKCIHYNNI-UHFFFAOYSA-N 1 0 260.341 1.209 40 0 CDABRO [NH3+]C[C@H]1CCN(Cc2c(F)cccc2Cl)S1(=O)=O ZINC000222538129 359351618 /nfs/dbraw/zinc/35/16/18/359351618.db2.gz AKCYOOCGHXQSNE-MRVPVSSYSA-N 1 0 292.763 1.342 40 0 CDABRO COc1ccc(Cl)cc1N1CC[C@@H](C[NH3+])S1(=O)=O ZINC000222544583 359353170 /nfs/dbraw/zinc/35/31/70/359353170.db2.gz ZQGNLHAVYVMJLB-VIFPVBQESA-N 1 0 290.772 1.216 40 0 CDABRO COCCC[NH2+]Cc1cc(C)n(CCOC)c1C ZINC000223660563 359444258 /nfs/dbraw/zinc/44/42/58/359444258.db2.gz WYYMCCMSTVHZSB-UHFFFAOYSA-N 1 0 254.374 1.877 40 0 CDABRO C[C@H]1C[N@H+](CCCNC(=O)c2ccsn2)CCCO1 ZINC000296937396 200040218 /nfs/dbraw/zinc/04/02/18/200040218.db2.gz XIFSDKZICIMZGG-NSHDSACASA-N 1 0 283.397 1.374 40 0 CDABRO NC(=[NH2+])[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000203604552 364852497 /nfs/dbraw/zinc/85/24/97/364852497.db2.gz MHQCLVSAYCNOOI-SECBINFHSA-N 1 0 285.344 1.162 40 0 CDABRO CC(=O)N1C[C@@H]2C[N@H+](CC3CC3)CCN2C(C)(C)C1 ZINC000253401988 373691021 /nfs/dbraw/zinc/69/10/21/373691021.db2.gz NVDLTKYJOURYDF-AWEZNQCLSA-N 1 0 265.401 1.023 40 0 biogenic,in-vitro CDABRO CC[NH+](CC)CCCn1nnc2ccccc2c1=O ZINC000255190197 374266644 /nfs/dbraw/zinc/26/66/44/374266644.db2.gz VPGOTHDLOGPJSG-UHFFFAOYSA-N 1 0 260.341 1.523 40 0 CDABRO OC[C@H]1C[C@H](O)C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000225400247 374286637 /nfs/dbraw/zinc/28/66/37/374286637.db2.gz ZGRRBGYRSBKYBW-ZJUUUORDSA-N 1 0 289.734 1.285 40 0 CDABRO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000225472305 374479055 /nfs/dbraw/zinc/47/90/55/374479055.db2.gz OJVNVVPSHDWSBP-UONOGXRCSA-N 1 0 297.443 1.663 40 0 CDABRO CCCC[NH+]1CCC2(C[C@@H](CNC(=O)N(C)C)O2)CC1 ZINC000306130949 374968503 /nfs/dbraw/zinc/96/85/03/374968503.db2.gz JTDAQDPMBZVURG-ZDUSSCGKSA-N 1 0 283.416 1.681 40 0 CDABRO O=C(c1ccc2c(c1)OCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932874 375162937 /nfs/dbraw/zinc/16/29/37/375162937.db2.gz IFOPIPXPEHXBCY-GFCCVEGCSA-N 1 0 274.320 1.336 40 0 CDABRO CC(C)[C@@H](C(=O)NCc1n[nH]c(=S)n1C)[NH+]1CCCC1 ZINC000067050210 375253016 /nfs/dbraw/zinc/25/30/16/375253016.db2.gz SFKULIDMPUBZIO-NSHDSACASA-N 1 0 297.428 1.214 40 0 CDABRO C[C@H](Cc1ccccc1)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000132264111 375429810 /nfs/dbraw/zinc/42/98/10/375429810.db2.gz AWVJPKFHLGAVTO-OCCSQVGLSA-N 1 0 262.353 1.051 40 0 CDABRO C[C@@H](Cc1ccccc1)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000132265233 375429933 /nfs/dbraw/zinc/42/99/33/375429933.db2.gz KGMFQPSWOHKWCD-AWEZNQCLSA-N 1 0 275.396 1.952 40 0 CDABRO CC(C)n1nccc1C[NH2+]CCCN1CCOCC1 ZINC000256053024 190004260 /nfs/dbraw/zinc/00/42/60/190004260.db2.gz PRQDPFKXXWALDF-UHFFFAOYSA-N 1 0 266.389 1.276 40 0 CDABRO CCCn1nc(C)cc1C[NH2+]Cc1cn(C)nc1C ZINC000256052807 190004480 /nfs/dbraw/zinc/00/44/80/190004480.db2.gz OTOFQMYHSSTHBD-UHFFFAOYSA-N 1 0 261.373 1.933 40 0 CDABRO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000257204023 190011464 /nfs/dbraw/zinc/01/14/64/190011464.db2.gz ASSUOFWNRRCKNN-LLVKDONJSA-N 1 0 257.341 1.951 40 0 CDABRO Cc1cc(C(=O)NCc2c[nH]c([C@@H]3CC[N@@H+](C)C3)n2)no1 ZINC000257225611 190015722 /nfs/dbraw/zinc/01/57/22/190015722.db2.gz FGZOBJLIAXLURD-SNVBAGLBSA-N 1 0 289.339 1.055 40 0 CDABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccnc(C)n1 ZINC000257230289 190016057 /nfs/dbraw/zinc/01/60/57/190016057.db2.gz GBPBHFOKDKXLPA-MRXNPFEDSA-N 1 0 298.390 1.940 40 0 CDABRO CNC(=O)[C@@H]1CN(Cc2cccc(Cl)c2)CC[N@H+](C)C1 ZINC000257223829 190014825 /nfs/dbraw/zinc/01/48/25/190014825.db2.gz DZBYOBIWWAKSQB-ZDUSSCGKSA-N 1 0 295.814 1.450 40 0 CDABRO O=c1ccc(-c2ccccc2)nn1C[C@@]1(O)CCC[NH2+]C1 ZINC000257267379 190023164 /nfs/dbraw/zinc/02/31/64/190023164.db2.gz MHBALFROJWQHRX-MRXNPFEDSA-N 1 0 285.347 1.025 40 0 CDABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218025953 375778714 /nfs/dbraw/zinc/77/87/14/375778714.db2.gz BLWJLKXJNKQTKR-KKUMJFAQSA-N 1 0 297.420 1.569 40 0 CDABRO Cn1ccc2ccnc(CC3CN(C(=O)C[NH+](C)C)C3)c21 ZINC000257287775 190026797 /nfs/dbraw/zinc/02/67/97/190026797.db2.gz PRLXKSKDIOZOBR-UHFFFAOYSA-N 1 0 286.379 1.136 40 0 CDABRO Cc1noc(C)c1-c1cncc(C[C@@H]2CC[NH2+]C2)n1 ZINC000257289859 190027530 /nfs/dbraw/zinc/02/75/30/190027530.db2.gz QAMOVPMMSARMEP-NSHDSACASA-N 1 0 258.325 1.900 40 0 CDABRO O=C(c1cncnc1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257299356 190028911 /nfs/dbraw/zinc/02/89/11/190028911.db2.gz RPRPZOVOHQZUDU-DGCLKSJQSA-N 1 0 260.341 1.081 40 0 CDABRO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)cs1 ZINC000257319454 190033526 /nfs/dbraw/zinc/03/35/26/190033526.db2.gz VSPSQJLPFDVAFE-VXGBXAGGSA-N 1 0 282.409 1.618 40 0 CDABRO COCCC(=O)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000063528482 378303880 /nfs/dbraw/zinc/30/38/80/378303880.db2.gz PJLZKLLSJBUEFE-ZIAGYGMSSA-N 1 0 289.379 1.008 40 0 CDABRO COC[C@H]1CNC(=O)[C@@H]2CC[N@H+](Cc3ccco3)CC[C@H]12 ZINC000097953624 390442866 /nfs/dbraw/zinc/44/28/66/390442866.db2.gz KTZCJBFZKFGJAM-BPLDGKMQSA-N 1 0 292.379 1.500 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000079409651 390421438 /nfs/dbraw/zinc/42/14/38/390421438.db2.gz KZEPYOWDSSZRPE-QJPTWQEYSA-N 1 0 299.415 1.628 40 0 CDABRO CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH2+]CC1 ZINC000096523434 390536276 /nfs/dbraw/zinc/53/62/76/390536276.db2.gz KPEDTHSEMJXSJH-NSHDSACASA-N 1 0 285.388 1.158 40 0 CDABRO C[C@@H]([NH3+])C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000072220519 390622290 /nfs/dbraw/zinc/62/22/90/390622290.db2.gz MRGYRZNRDPZBJS-SSDOTTSWSA-N 1 0 280.715 1.353 40 0 CDABRO C[NH+]1CCN(c2ccc([C@H]3CCCCN3C=O)cn2)CC1 ZINC000072216555 390622314 /nfs/dbraw/zinc/62/23/14/390622314.db2.gz ZTGHONWTSILLRS-OAHLLOKOSA-N 1 0 288.395 1.517 40 0 CDABRO O=C(c1ccccc1)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225505 390623146 /nfs/dbraw/zinc/62/31/46/390623146.db2.gz PMJULHNIHRHYMR-UHFFFAOYSA-N 1 0 267.332 1.722 40 0 CDABRO CC[C@H]([NH3+])c1ccc(N2CCN(C(C)=O)CC2)nc1C ZINC000072224784 390624750 /nfs/dbraw/zinc/62/47/50/390624750.db2.gz OKNNXWGYOOYMHL-AWEZNQCLSA-N 1 0 276.384 1.468 40 0 CDABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(O)C[NH3+] ZINC000072208012 390616307 /nfs/dbraw/zinc/61/63/07/390616307.db2.gz XYWAIRDBVKBBNT-MFKMUULPSA-N 1 0 258.362 1.486 40 0 CDABRO O=C(Nc1cccc(F)c1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC000096157291 390913263 /nfs/dbraw/zinc/91/32/63/390913263.db2.gz UOOSMWYVWHSJKN-ZDUSSCGKSA-N 1 0 263.272 1.273 40 0 CDABRO O=C1C[C@]2(CCC[NH2+]C2)C(=O)N1c1ccc(F)cc1 ZINC000096157211 390913354 /nfs/dbraw/zinc/91/33/54/390913354.db2.gz QSCVGPOXASKNFN-AWEZNQCLSA-N 1 0 262.284 1.459 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218553664 391092245 /nfs/dbraw/zinc/09/22/45/391092245.db2.gz PWSMPRDFWBEELT-SRVKXCTJSA-N 1 0 273.785 1.815 40 0 CDABRO CO[C@H]1CCN(C(=O)c2occc2C)[C@@H](C[NH3+])C1 ZINC000161087825 391843286 /nfs/dbraw/zinc/84/32/86/391843286.db2.gz SWUNSRFFLVLJCO-MNOVXSKESA-N 1 0 252.314 1.166 40 0 CDABRO CC(C)CC[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2C ZINC000306123446 392105135 /nfs/dbraw/zinc/10/51/35/392105135.db2.gz ANEFRZGDMJIKNJ-KGLIPLIRSA-N 1 0 261.369 1.845 40 0 CDABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccccc2)[C@H]1S(C)(=O)=O ZINC000252515189 392796866 /nfs/dbraw/zinc/79/68/66/392796866.db2.gz HUWQZPKWFVVEMZ-BFHYXJOUSA-N 1 0 283.393 1.179 40 0 CDABRO c1nc(CC[C@H]2CCC[NH2+]2)cc(N2CCCOCC2)n1 ZINC000072386873 285573776 /nfs/dbraw/zinc/57/37/76/285573776.db2.gz ZJIZOFRBUFAWNZ-CYBMUJFWSA-N 1 0 276.384 1.388 40 0 CDABRO CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000195548694 286609584 /nfs/dbraw/zinc/60/95/84/286609584.db2.gz MZVJHTPKRWYCOF-ITGHMWBKSA-N 1 0 271.426 1.835 40 0 CDABRO CC[NH+](CC)CCCCCn1c(C)cc(=O)n(C)c1=O ZINC000004866776 170033604 /nfs/dbraw/zinc/03/36/04/170033604.db2.gz LSTJPKNJLXNESU-UHFFFAOYSA-N 1 0 281.400 1.368 40 0 CDABRO C[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000005817162 170142782 /nfs/dbraw/zinc/14/27/82/170142782.db2.gz QAUCOGQOQIRFGX-UHFFFAOYSA-N 1 0 280.368 1.708 40 0 CDABRO COc1ccc(Br)cc1C[NH2+]C[C@@H](C)O ZINC000005912726 170154428 /nfs/dbraw/zinc/15/44/28/170154428.db2.gz RYRBETLXDWHSGP-MRVPVSSYSA-N 1 0 274.158 1.928 40 0 CDABRO COc1ccc(C[NH2+]CCN(C)C)c(OC)c1OC ZINC000020215546 171078219 /nfs/dbraw/zinc/07/82/19/171078219.db2.gz MWIPBVZPSGNZCT-UHFFFAOYSA-N 1 0 268.357 1.364 40 0 CDABRO CCOC(=O)C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000026895647 171502419 /nfs/dbraw/zinc/50/24/19/171502419.db2.gz NZWSMTBLVXYYPK-ZIAGYGMSSA-N 1 0 262.353 1.399 40 0 CDABRO COC(=O)[C@H](C)C[NH2+]CCc1ccc(OC)cc1 ZINC000035133555 171998914 /nfs/dbraw/zinc/99/89/14/171998914.db2.gz RJICAECPQZFQTD-LLVKDONJSA-N 1 0 251.326 1.636 40 0 CDABRO NC(=O)[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000037514983 173246867 /nfs/dbraw/zinc/24/68/67/173246867.db2.gz GANJSHLSGIRGJH-CQSZACIVSA-N 1 0 256.305 1.751 40 0 CDABRO CC[N@@H+]1CCC[C@](O)(CNCc2ccc3c(c2)OCO3)C1 ZINC000046087457 175391700 /nfs/dbraw/zinc/39/17/00/175391700.db2.gz WXKCFHMOMCMXJD-INIZCTEOSA-N 1 0 292.379 1.352 40 0 CDABRO COCCN(C)C(=O)c1cccc(C2CC[NH+](C)CC2)n1 ZINC000072355764 176375287 /nfs/dbraw/zinc/37/52/87/176375287.db2.gz YHZABJCRPDWQSO-UHFFFAOYSA-N 1 0 291.395 1.609 40 0 CDABRO O=C(NCc1cccnc1)c1cccc(C2CC[NH2+]CC2)n1 ZINC000072365615 176380545 /nfs/dbraw/zinc/38/05/45/176380545.db2.gz ZRGRIXUTTDVZFH-UHFFFAOYSA-N 1 0 296.374 1.874 40 0 CDABRO O=C(C[NH+]1CCCCC1)N1CCO[C@@H](c2ccccn2)C1 ZINC000072388126 176393482 /nfs/dbraw/zinc/39/34/82/176393482.db2.gz XVFNNYZXJHVWSG-OAHLLOKOSA-N 1 0 289.379 1.467 40 0 CDABRO C[NH+](C)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434639 276795259 /nfs/dbraw/zinc/79/52/59/276795259.db2.gz KZQQUKBUYQSNCH-WRHSUISWSA-N 1 0 253.386 1.894 40 0 CDABRO CNC(=O)c1cnn2c1nccc2[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000257281056 277261726 /nfs/dbraw/zinc/26/17/26/277261726.db2.gz ONLAUQVCHPLKBX-LLVKDONJSA-N 1 0 287.367 1.287 40 0 CDABRO C[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391196 278223981 /nfs/dbraw/zinc/22/39/81/278223981.db2.gz KMGIPIMGCMEZFK-WDEREUQCSA-N 1 0 285.388 1.239 40 0 CDABRO CCCCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170378260 278673424 /nfs/dbraw/zinc/67/34/24/278673424.db2.gz QCUINHZHUVHNFG-UHFFFAOYSA-N 1 0 297.443 1.718 40 0 CDABRO CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000092745398 279997119 /nfs/dbraw/zinc/99/71/19/279997119.db2.gz MZVJHTPKRWYCOF-RGDJUOJXSA-N 1 0 271.426 1.835 40 0 CDABRO O=C(CC[NH+]1CCCCC1)N1CCOC[C@@H]1c1cc[nH]n1 ZINC000257243618 295473768 /nfs/dbraw/zinc/47/37/68/295473768.db2.gz IHUOXVWVLKGDRR-CQSZACIVSA-N 1 0 292.383 1.186 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391227 298943797 /nfs/dbraw/zinc/94/37/97/298943797.db2.gz OIXXQBNTIXMFCY-RYUDHWBXSA-N 1 0 299.415 1.582 40 0 CDABRO Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]C2CCOCC2)cc1 ZINC000072321686 301838561 /nfs/dbraw/zinc/83/85/61/301838561.db2.gz GJOBVYNHPNBEEC-QBPKDAKJSA-N 1 0 291.391 1.341 40 0 biogenic,in-vitro CDABRO O[C@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000062717808 333176019 /nfs/dbraw/zinc/17/60/19/333176019.db2.gz BYDUCWMRDXPCDK-MRXNPFEDSA-N 1 0 298.390 1.900 40 0 CDABRO C[NH2+]CCNc1nc(Cl)nc2cc(OC)c(OC)cc21 ZINC000199826340 522010664 /nfs/dbraw/zinc/01/06/64/522010664.db2.gz OLVAVUTVCJJIFV-UHFFFAOYSA-N 1 0 296.758 1.932 40 0 CDABRO CCc1onc(C)c1C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000931763507 771071340 /nfs/dbraw/zinc/07/13/40/771071340.db2.gz CCRUFYZUCQWCPG-NWDGAFQWSA-N 1 0 277.368 1.741 40 0 CDABRO CC(C)CCC(=O)N1C[C@H]2OC[C@@H](C[NH+](C)C)[C@H]2C1 ZINC000575404414 342451762 /nfs/dbraw/zinc/45/17/62/342451762.db2.gz BSAMAVLPFJCDDY-MGPQQGTHSA-N 1 0 268.401 1.458 40 0 CDABRO [NH3+][C@H](Cc1ccccc1)c1nc([C@@H]2CCCO2)n[nH]1 ZINC000095534905 185008678 /nfs/dbraw/zinc/00/86/78/185008678.db2.gz CSEGQTQTHWYHON-NEPJUHHUSA-N 1 0 258.325 1.899 40 0 CDABRO CC(C)(C)OC(=O)N1CCOC[C@]2(C[NH2+]CCCO2)C1 ZINC000095740439 342557165 /nfs/dbraw/zinc/55/71/65/342557165.db2.gz GUBGKLFKFPLBLL-AWEZNQCLSA-N 1 0 286.372 1.002 40 0 CDABRO CCN(C)c1ncnc2c1CC[N@H+](Cc1ccncc1)CC2 ZINC000096058798 185078532 /nfs/dbraw/zinc/07/85/32/185078532.db2.gz WPWSZHDTUJEOPV-UHFFFAOYSA-N 1 0 297.406 1.929 40 0 CDABRO C[C@H]1N(CC2CC2)C(=O)COC12CC[NH+](CC1CC1)CC2 ZINC000096062250 185082904 /nfs/dbraw/zinc/08/29/04/185082904.db2.gz BYXCWGRTDBUXMT-CYBMUJFWSA-N 1 0 292.423 1.888 40 0 CDABRO O=C1[C@H]2C[N@H+](CCN3CCCC3)C[C@H]2CN1c1ccccc1 ZINC000096080727 185090746 /nfs/dbraw/zinc/09/07/46/185090746.db2.gz APYVMRXARGALSL-RDJZCZTQSA-N 1 0 299.418 1.677 40 0 CDABRO Cc1nc(Cn2c(=O)ccc3c2CC[C@H]([NH3+])C3)cs1 ZINC000096086850 185093444 /nfs/dbraw/zinc/09/34/44/185093444.db2.gz YJYSIJDOQXUVJM-NSHDSACASA-N 1 0 275.377 1.478 40 0 CDABRO CC(C)[NH2+]C[C@H]1OCCc2cn(Cc3ccccn3)nc21 ZINC000096100708 185098001 /nfs/dbraw/zinc/09/80/01/185098001.db2.gz USAWIRQQHLGOSW-OAHLLOKOSA-N 1 0 286.379 1.938 40 0 CDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1ccoc1)CC[C@@H]2OC ZINC000096109418 185099627 /nfs/dbraw/zinc/09/96/27/185099627.db2.gz PBOXMQFQZLQLBT-XHSDSOJGSA-N 1 0 294.395 1.447 40 0 CDABRO Cc1noc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000585110164 342213132 /nfs/dbraw/zinc/21/31/32/342213132.db2.gz RHRRVIRLISAGSH-TXEJJXNPSA-N 1 0 278.356 1.004 40 0 CDABRO C[N@H+](Cc1cnccn1)[C@H]1CCCN(c2ccccn2)C1 ZINC000585182309 342232716 /nfs/dbraw/zinc/23/27/16/342232716.db2.gz SGOQICKQEWNCPH-HNNXBMFYSA-N 1 0 283.379 1.972 40 0 CDABRO C[N@H+]1Cc2cccn2C[C@@H](C(=O)NCc2cccnc2)C1 ZINC000248149790 362154530 /nfs/dbraw/zinc/15/45/30/362154530.db2.gz SWLNAXYLFHIWSB-AWEZNQCLSA-N 1 0 284.363 1.261 40 0 CDABRO c1cncc(OC[C@@H]2CCOC23C[NH+](CC2CC2)C3)c1 ZINC000253592353 362441638 /nfs/dbraw/zinc/44/16/38/362441638.db2.gz VEYRELVZPUQKDR-AWEZNQCLSA-N 1 0 274.364 1.961 40 0 CDABRO CCOc1ccccc1[C@H](O)C1(C[NH3+])CCOCC1 ZINC000085395744 179048960 /nfs/dbraw/zinc/04/89/60/179048960.db2.gz XRTYHRSRYKTKBZ-AWEZNQCLSA-N 1 0 265.353 1.874 40 0 CDABRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](C)Cc1ccccc1 ZINC000170084903 362845910 /nfs/dbraw/zinc/84/59/10/362845910.db2.gz KKEDREBDTMFYQW-QEJZJMRPSA-N 1 0 277.364 1.473 40 0 CDABRO COc1ccc(/C=C2\C[N@H+](C)CC[C@H]2O)c(OC)c1OC ZINC000252483496 350378221 /nfs/dbraw/zinc/37/82/21/350378221.db2.gz FCPUVZDRDDWWNC-CNELAYHGSA-N 1 0 293.363 1.792 40 0 CDABRO Cc1noc(C)c1CN1CC[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2C1 ZINC000107800696 186191961 /nfs/dbraw/zinc/19/19/61/186191961.db2.gz NQUOQZQZIHOLRM-GLQYFDAESA-N 1 0 293.411 1.426 40 0 CDABRO CNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccncc1)C2 ZINC000108530019 186221796 /nfs/dbraw/zinc/22/17/96/186221796.db2.gz CJJZFCXGSMEJIR-ZBFHGGJFSA-N 1 0 273.380 1.820 40 0 CDABRO O=C(Nc1ccc(N2CCCC2)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000062114413 363011196 /nfs/dbraw/zinc/01/11/96/363011196.db2.gz YLMWGPRIBAICLW-LLVKDONJSA-N 1 0 277.343 1.974 40 0 CDABRO CO[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000154281373 188133567 /nfs/dbraw/zinc/13/35/67/188133567.db2.gz RUIVMNUILOZVJK-ZIAGYGMSSA-N 1 0 262.353 1.194 40 0 CDABRO CCOc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004435716 363241530 /nfs/dbraw/zinc/24/15/30/363241530.db2.gz MTHDESIKECZMDH-UHFFFAOYSA-N 1 0 262.353 1.783 40 0 CDABRO C[N@H+]1CC=C(CNC(=O)c2cnc3ccccc3n2)CC1 ZINC000271872378 191380805 /nfs/dbraw/zinc/38/08/05/191380805.db2.gz LSOXFZSMVMQVKO-UHFFFAOYSA-N 1 0 282.347 1.622 40 0 CDABRO COc1cc2cccnc2c(NCCCCNC(N)=[NH2+])c1 ZINC000001653185 355944880 /nfs/dbraw/zinc/94/48/80/355944880.db2.gz AJVPXLSLTHRESV-UHFFFAOYSA-N 1 0 287.367 1.919 40 0 CDABRO COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH2+]CC1 ZINC000002001720 355957477 /nfs/dbraw/zinc/95/74/77/355957477.db2.gz RUQHFNWNPDBISK-UHFFFAOYSA-N 1 0 283.759 1.413 40 0 CDABRO O=C1CCCC(=O)N1[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005382579 356053040 /nfs/dbraw/zinc/05/30/40/356053040.db2.gz RIXNCQKSTKRRRI-NWDGAFQWSA-N 1 0 250.342 1.542 40 0 biogenic,in-vitro CDABRO CNC(=O)[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000042560514 356073623 /nfs/dbraw/zinc/07/36/23/356073623.db2.gz FVLUBQWBASQZJM-GHMZBOCLSA-N 1 0 250.342 1.437 40 0 CDABRO [NH3+]CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011849342 356280536 /nfs/dbraw/zinc/28/05/36/356280536.db2.gz XUUOUCQOAOSYPY-UHFFFAOYSA-N 1 0 268.382 1.362 40 0 CDABRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1nc(C)cc1C ZINC000019527281 356490077 /nfs/dbraw/zinc/49/00/77/356490077.db2.gz KTDKSIMZFIHISB-AWEZNQCLSA-N 1 0 278.400 1.491 40 0 CDABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(C)CC2)CC(C)(C)C1 ZINC000022588898 356617467 /nfs/dbraw/zinc/61/74/67/356617467.db2.gz YVAWMZJIRZQCSS-XHSDSOJGSA-N 1 0 298.471 1.826 40 0 CDABRO CCOC(=O)C1CCN(c2cccc(C[NH3+])c2)CC1 ZINC000026896373 356701212 /nfs/dbraw/zinc/70/12/12/356701212.db2.gz GRJWRCAKQPRJML-UHFFFAOYSA-N 1 0 262.353 1.925 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cnccn1)C(C)C ZINC000079435712 356996218 /nfs/dbraw/zinc/99/62/18/356996218.db2.gz TYJULGRBYMULHC-LBPRGKRZSA-N 1 0 250.346 1.197 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1ccc[nH]1)C1CC1 ZINC000079436550 356996502 /nfs/dbraw/zinc/99/65/02/356996502.db2.gz KPZLOMAIYNGSHF-ZDUSSCGKSA-N 1 0 263.341 1.172 40 0 CDABRO COc1ccc(CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000047829367 357165695 /nfs/dbraw/zinc/16/56/95/357165695.db2.gz XJXKGQCHJQNSOW-UHFFFAOYSA-N 1 0 262.353 1.448 40 0 CDABRO O=C(COc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932741 358612419 /nfs/dbraw/zinc/61/24/19/358612419.db2.gz DXGYHRYOWBFUIE-CYBMUJFWSA-N 1 0 260.337 1.372 40 0 CDABRO COc1cc(N2CCC3(CCCC[N@@H+]3C)CC2)ncn1 ZINC000096217548 358722375 /nfs/dbraw/zinc/72/23/75/358722375.db2.gz XSBVHCLWMXZLQC-UHFFFAOYSA-N 1 0 276.384 1.940 40 0 CDABRO C[N@@H+]1CCOC[C@]2(CCCN(c3nncs3)C2)C1 ZINC000096229336 358723944 /nfs/dbraw/zinc/72/39/44/358723944.db2.gz HGDCSRANUYKBFA-GFCCVEGCSA-N 1 0 268.386 1.087 40 0 CDABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096228871 358724046 /nfs/dbraw/zinc/72/40/46/358724046.db2.gz DWSHPBBWCOAHES-INIZCTEOSA-N 1 0 292.379 1.854 40 0 CDABRO Cc1nc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)cs1 ZINC000096229365 358724173 /nfs/dbraw/zinc/72/41/73/358724173.db2.gz OWXPHKRNIQZPAY-CQSZACIVSA-N 1 0 281.425 1.654 40 0 CDABRO Cc1nc(C)c2c(n1)CC[N@@H+](Cc1cncn1C)CC2 ZINC000096254519 358728035 /nfs/dbraw/zinc/72/80/35/358728035.db2.gz IJFDKVQTQZVVFR-UHFFFAOYSA-N 1 0 271.368 1.428 40 0 CDABRO O=C([C@H]1CCC[N@H+](C[C@@H]2CO2)C1)N1CCCCC1 ZINC000095097817 366522775 /nfs/dbraw/zinc/52/27/75/366522775.db2.gz PDGPTTPQFVCBMQ-QWHCGFSZSA-N 1 0 252.358 1.110 40 0 CDABRO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCN(C)CC1 ZINC000022585635 359079587 /nfs/dbraw/zinc/07/95/87/359079587.db2.gz ULCMUCMZJIMHJG-STQMWFEESA-N 1 0 253.390 1.023 40 0 CDABRO CC(C)Oc1ccc(N2CC[C@@H](C[NH3+])S2(=O)=O)cc1 ZINC000222545321 359353046 /nfs/dbraw/zinc/35/30/46/359353046.db2.gz NGTRSFOIXLXFIT-ZDUSSCGKSA-N 1 0 284.381 1.341 40 0 CDABRO COCC[NH2+]CCNC(=O)c1cc(C)c(F)cc1F ZINC000135631137 359787770 /nfs/dbraw/zinc/78/77/70/359787770.db2.gz HBKXDZZKTPAADH-UHFFFAOYSA-N 1 0 272.295 1.239 40 0 CDABRO COc1ccccc1NC(=O)CNCCC[NH+](C)C ZINC000020054153 360125403 /nfs/dbraw/zinc/12/54/03/360125403.db2.gz WOKXLZWFNYVDCM-UHFFFAOYSA-N 1 0 265.357 1.175 40 0 CDABRO Cc1cccc(C)c1OCCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237648804 361476677 /nfs/dbraw/zinc/47/66/77/361476677.db2.gz AKBINKZPXCWREK-CQSZACIVSA-N 1 0 276.380 1.798 40 0 CDABRO O=Cc1ccc(OC[C@@H](O)C[n+]2ccccc2)cc1 ZINC000000297641 361659491 /nfs/dbraw/zinc/65/94/91/361659491.db2.gz UMTLAKXINDRRRC-AWEZNQCLSA-N 1 0 258.297 1.227 40 0 CDABRO COc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000000787171 364237713 /nfs/dbraw/zinc/23/77/13/364237713.db2.gz PKQZBVYYMAZUNJ-ZDUSSCGKSA-N 1 0 265.353 1.921 40 0 CDABRO CO[C@@H]1CCN(C(=O)Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000161112618 367123203 /nfs/dbraw/zinc/12/32/03/367123203.db2.gz UKLNDPHLDGONKK-GHMZBOCLSA-N 1 0 268.382 1.255 40 0 CDABRO [NH3+]C1(CNC(=O)N2CCC[C@H](CCO)CC2)CCC1 ZINC000643438766 368168178 /nfs/dbraw/zinc/16/81/78/368168178.db2.gz HUIJLDQOMDPNJT-LBPRGKRZSA-N 1 0 269.389 1.062 40 0 CDABRO C[C@H](C(=O)[O-])[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000225453324 374429158 /nfs/dbraw/zinc/42/91/58/374429158.db2.gz NTYPKJXETYHLKQ-HIFRSBDPSA-N 1 0 276.380 1.913 40 0 CDABRO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CC[NH2+]CC2 ZINC000306129036 374968067 /nfs/dbraw/zinc/96/80/67/374968067.db2.gz HSECDHVOFHIRCX-ZDUSSCGKSA-N 1 0 291.395 1.256 40 0 CDABRO CN1CC[NH2+]C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306142474 374972398 /nfs/dbraw/zinc/97/23/98/374972398.db2.gz XAHIKDKYCYLTDP-AWEZNQCLSA-N 1 0 285.395 1.511 40 0 CDABRO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)[nH]c(=O)n1 ZINC000257214653 190012949 /nfs/dbraw/zinc/01/29/49/190012949.db2.gz CMUWZEYEXBZDOF-CQSZACIVSA-N 1 0 298.346 1.277 40 0 CDABRO CN(CC[NH+](C)C)C(=O)c1cccnc1-c1cncs1 ZINC000257212681 190013153 /nfs/dbraw/zinc/01/31/53/190013153.db2.gz CENBXSVIYKJIGZ-UHFFFAOYSA-N 1 0 290.392 1.839 40 0 CDABRO O=C(c1ccc(Cl)cc1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257271359 190023864 /nfs/dbraw/zinc/02/38/64/190023864.db2.gz MXZCZZCPZMNYJC-ZIAGYGMSSA-N 1 0 294.782 1.621 40 0 CDABRO OC1(C[N@@H+]2CCC[C@H](c3ccncn3)C2)CCOCC1 ZINC000257273949 190025052 /nfs/dbraw/zinc/02/50/52/190025052.db2.gz NIXGTOCSSUGAHI-ZDUSSCGKSA-N 1 0 277.368 1.198 40 0 CDABRO Cc1cc(C)n(CC(=O)N2CCC[C@H]3[NH2+]CCC[C@@]32C)n1 ZINC000257301061 190030764 /nfs/dbraw/zinc/03/07/64/190030764.db2.gz RWVLUQLHHUAWFW-ZBFHGGJFSA-N 1 0 290.411 1.633 40 0 CDABRO Cc1cc(Nc2ncc(F)c(C[C@H]3CC[NH2+]C3)n2)n[nH]1 ZINC000257307247 190030803 /nfs/dbraw/zinc/03/08/03/190030803.db2.gz SXVTWPRONFCDLS-SECBINFHSA-N 1 0 276.319 1.543 40 0 CDABRO OC1(CN2CC[NH2+]C[C@H]2c2ccccc2)CCOCC1 ZINC000257332360 190035840 /nfs/dbraw/zinc/03/58/40/190035840.db2.gz XWYPBKRAFAINFA-HNNXBMFYSA-N 1 0 276.380 1.174 40 0 CDABRO CC[N@@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000334824747 377670546 /nfs/dbraw/zinc/67/05/46/377670546.db2.gz MOUUWWAEWODECL-HNNXBMFYSA-N 1 0 258.365 1.612 40 0 CDABRO COc1ccc(O[C@@H](C)C(=O)NCC[NH+](C)C)cc1 ZINC000010111697 533024817 /nfs/dbraw/zinc/02/48/17/533024817.db2.gz QTJGZUSXMDSQDO-NSHDSACASA-N 1 0 266.341 1.140 40 0 CDABRO CC(C)Oc1ncc([C@@H](C[NH3+])N2CCCC2)cn1 ZINC000096511166 390531008 /nfs/dbraw/zinc/53/10/08/390531008.db2.gz CVASWBCQBNNNLS-GFCCVEGCSA-N 1 0 250.346 1.359 40 0 CDABRO O=C(NC[C@H]1C[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000096526152 390540722 /nfs/dbraw/zinc/54/07/22/390540722.db2.gz ILTARTRLDPBUMK-HUUCEWRRSA-N 1 0 258.365 1.906 40 0 CDABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C=O ZINC000072219657 390622982 /nfs/dbraw/zinc/62/29/82/390622982.db2.gz KDSVNFJBCSWCEB-HNNXBMFYSA-N 1 0 289.379 1.910 40 0 CDABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(O)C[NH3+] ZINC000072208010 390616332 /nfs/dbraw/zinc/61/63/32/390616332.db2.gz XYWAIRDBVKBBNT-ZWNOBZJWSA-N 1 0 258.362 1.486 40 0 CDABRO CCCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000072207465 390616353 /nfs/dbraw/zinc/61/63/53/390616353.db2.gz UFCIKEWAYYARHY-UHFFFAOYSA-N 1 0 270.398 1.827 40 0 CDABRO O=C(N[C@@H]1COC2(C1)CC[NH2+]CC2)c1ccsc1 ZINC000096157247 390913305 /nfs/dbraw/zinc/91/33/05/390913305.db2.gz VEGGEHUGYVLDMP-NSHDSACASA-N 1 0 266.366 1.389 40 0 CDABRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000237968049 131068991 /nfs/dbraw/zinc/06/89/91/131068991.db2.gz IKSCGTWUIKLIEA-HNNXBMFYSA-N 1 0 284.363 1.495 40 0 CDABRO CC(=O)NC1CCC([NH2+][C@H]2CCCCC[C@H]2CO)CC1 ZINC000133577501 413118329 /nfs/dbraw/zinc/11/83/29/413118329.db2.gz MNECSVLOXBVPKF-LBDPXKHJSA-N 1 0 282.428 1.965 40 0 CDABRO CC1=C[C@@H](C)[C@H]2C(=O)N(c3ccc[n+](C)c3)C(=O)[C@@H]2C1 ZINC000004184559 169942000 /nfs/dbraw/zinc/94/20/00/169942000.db2.gz UYHYCNHHAGZKQZ-MRVWCRGKSA-N 1 0 271.340 1.603 40 0 CDABRO CC[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000004969106 170046862 /nfs/dbraw/zinc/04/68/62/170046862.db2.gz DQBYUQAIMHCDPL-CHWSQXEVSA-N 1 0 254.374 1.546 40 0 CDABRO COC(=O)[C@@H](CCCC[NH3+])NC(=O)c1ccccc1 ZINC000006482327 170205045 /nfs/dbraw/zinc/20/50/45/170205045.db2.gz RNFLYGMDYGDLQG-GFCCVEGCSA-N 1 0 264.325 1.087 40 0 CDABRO C[NH+]1CCN(C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022465744 171388598 /nfs/dbraw/zinc/38/85/98/171388598.db2.gz PWONMBSJTNRGNI-MRXNPFEDSA-N 1 0 290.407 1.162 40 0 CDABRO CC[NH+]1CCN(CC(=O)Nc2cc(F)ccc2C)CC1 ZINC000022587111 171393561 /nfs/dbraw/zinc/39/35/61/171393561.db2.gz CYDSJBTZAFWQIN-UHFFFAOYSA-N 1 0 279.359 1.710 40 0 CDABRO Cc1cc(C(=O)NC(C)C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072365638 176381000 /nfs/dbraw/zinc/38/10/00/176381000.db2.gz JKMKQTSXQCYJEQ-LBPRGKRZSA-N 1 0 276.384 1.732 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(Cl)c1 ZINC000072397648 176394851 /nfs/dbraw/zinc/39/48/51/176394851.db2.gz ITXBMAQQUQPOCO-KCPJHIHWSA-N 1 0 280.799 1.979 40 0 CDABRO O=C1N(c2ccccn2)C[C@H]2C[N@@H+](CC3CC3)CCN12 ZINC000077266460 177247405 /nfs/dbraw/zinc/24/74/05/177247405.db2.gz DUWHVTWPCLJVGO-CYBMUJFWSA-N 1 0 272.352 1.418 40 0 biogenic,in-vitro CDABRO CC(C)N(C[C@H]1COc2ccccc2O1)C(=O)[C@H](C)[NH3+] ZINC000079418811 177486413 /nfs/dbraw/zinc/48/64/13/177486413.db2.gz QIGHCOREORXYDF-RYUDHWBXSA-N 1 0 278.352 1.411 40 0 CDABRO COc1cc(NC[C@@H]2CCCC[NH2+]2)nc(SC)n1 ZINC000079439971 177491125 /nfs/dbraw/zinc/49/11/25/177491125.db2.gz JQIZVGLYUPATFO-VIFPVBQESA-N 1 0 268.386 1.761 40 0 CDABRO CC[NH+](CC)CCCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000004126223 276096279 /nfs/dbraw/zinc/09/62/79/276096279.db2.gz FVRBUVBHHPPIPL-KPWCQOOUSA-N 1 0 276.380 1.525 40 0 CDABRO C[C@H]1O[C@@H](O[C@@H]2CCCc3ccccc32)C[C@@H]([NH3+])[C@H]1O ZINC000005208943 280071237 /nfs/dbraw/zinc/07/12/37/280071237.db2.gz GFJVGEMINSLVKX-VWOPQJGGSA-N 1 0 277.364 1.904 40 0 CDABRO O=S(=O)(N[C@H]1CCC12CC[NH2+]CC2)c1ccccc1 ZINC000306134581 304765378 /nfs/dbraw/zinc/76/53/78/304765378.db2.gz NSPWOIPEHWZPFK-ZDUSSCGKSA-N 1 0 280.393 1.497 40 0 CDABRO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC[NH2+]CC1 ZINC000064875968 524296060 /nfs/dbraw/zinc/29/60/60/524296060.db2.gz LXRJIRBQGURPAH-AWEZNQCLSA-N 1 0 275.396 1.926 40 0 CDABRO CC[NH+]1CCN(c2ncnc3c2C[C@@H](C)CN3)CC1 ZINC000046087432 1166301084 /nfs/dbraw/zinc/30/10/84/1166301084.db2.gz IRRRVSQMVUBVFA-LLVKDONJSA-N 1 0 261.373 1.223 40 0 CDABRO CCOc1cc(-c2nnc([C@@H](C)[NH3+])[nH]2)ccc1OC ZINC000095534686 185006027 /nfs/dbraw/zinc/00/60/27/185006027.db2.gz WUQFQVZVXSOQKV-MRVPVSSYSA-N 1 0 262.313 1.899 40 0 CDABRO Cc1nnc([C@@H]2C[C@H]3C[N@H+](CC4CCOCC4)C[C@H]3O2)[nH]1 ZINC000096045886 185071102 /nfs/dbraw/zinc/07/11/02/185071102.db2.gz CBWJXUNWTCFDLE-MELADBBJSA-N 1 0 292.383 1.302 40 0 CDABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccncc2)N1c1cccnc1 ZINC000096055707 185076051 /nfs/dbraw/zinc/07/60/51/185076051.db2.gz BASKQVLHKSZTKK-JKSUJKDBSA-N 1 0 294.358 1.856 40 0 CDABRO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096066268 185084210 /nfs/dbraw/zinc/08/42/10/185084210.db2.gz OKFVGCIOKQWXMU-MJBXVCDLSA-N 1 0 294.420 1.816 40 0 CDABRO COC[C@@H]1CC2(CO1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096105751 185099065 /nfs/dbraw/zinc/09/90/65/185099065.db2.gz DNJPWPLGXJLKDM-AWEZNQCLSA-N 1 0 279.384 1.438 40 0 CDABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1conc1C)C2 ZINC000585102777 342212579 /nfs/dbraw/zinc/21/25/79/342212579.db2.gz HICDMSUPONHFGG-IUODEOHRSA-N 1 0 293.367 1.023 40 0 CDABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1ccnc(NC)c1 ZINC000585181462 342232690 /nfs/dbraw/zinc/23/26/90/342232690.db2.gz RVAANDOVTTYJNU-AWEZNQCLSA-N 1 0 290.411 1.551 40 0 CDABRO CO[C@@]1(COc2ccc(C)cc2)CCCN(C(=O)C[NH3+])C1 ZINC000585273348 342255814 /nfs/dbraw/zinc/25/58/14/342255814.db2.gz CGOYDRJTUKZPAI-INIZCTEOSA-N 1 0 292.379 1.340 40 0 CDABRO CO[C@@H]1COC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)[C@@H]1O ZINC000585287078 342258711 /nfs/dbraw/zinc/25/87/11/342258711.db2.gz SNSNXPHRVGSSCX-WQVCFCJDSA-N 1 0 290.363 1.280 40 0 CDABRO Cc1ccc(C(=O)N2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)o1 ZINC000248009178 362143551 /nfs/dbraw/zinc/14/35/51/362143551.db2.gz OYPOESHNEGGTPB-YRGRVCCFSA-N 1 0 278.352 1.237 40 0 CDABRO c1csc(COC[C@@H]2CC[C@H]3[NH2+]CCO[C@H]32)n1 ZINC000247841216 362134769 /nfs/dbraw/zinc/13/47/69/362134769.db2.gz KZPUTSPATLCNNS-UMNHJUIQSA-N 1 0 254.355 1.427 40 0 CDABRO O=C1CCC(=O)N1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000000035446 344858928 /nfs/dbraw/zinc/85/89/28/344858928.db2.gz GUWLFGRHKJHZOJ-NWDGAFQWSA-N 1 0 266.341 1.332 40 0 CDABRO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@@](C)(O)C(C)=O)o1 ZINC000332386901 362500319 /nfs/dbraw/zinc/50/03/19/362500319.db2.gz QCEOFVMKDGVYEC-DZGCQCFKSA-N 1 0 281.352 1.903 40 0 CDABRO CS(=O)(=O)NC1CC2(C1)CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC000108528021 186221200 /nfs/dbraw/zinc/22/12/00/186221200.db2.gz DETIWEGAMRAYFS-NFOMZHRRSA-N 1 0 298.452 1.746 40 0 CDABRO COc1ccccc1C(=O)C(CN(C)C)C[NH+](C)C ZINC000001589117 355940758 /nfs/dbraw/zinc/94/07/58/355940758.db2.gz VLFQHWPLLDNTCF-UHFFFAOYSA-N 1 0 264.369 1.617 40 0 CDABRO COC(=O)[C@@H](C)C[NH2+]CCc1ccc(OC)cc1 ZINC000035133554 356829905 /nfs/dbraw/zinc/82/99/05/356829905.db2.gz RJICAECPQZFQTD-NSHDSACASA-N 1 0 251.326 1.636 40 0 CDABRO CN(C[C@H]1CCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408350 356992736 /nfs/dbraw/zinc/99/27/36/356992736.db2.gz AOUZPYZIJKOOKE-LLVKDONJSA-N 1 0 257.378 1.276 40 0 CDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccccc1Br ZINC000054370247 357319408 /nfs/dbraw/zinc/31/94/08/357319408.db2.gz WADIEPGOGGCXRH-VIFPVBQESA-N 1 0 283.169 1.883 40 0 CDABRO C[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000062624828 357477993 /nfs/dbraw/zinc/47/79/93/357477993.db2.gz VTTPEZQPSQRZBW-JTQLQIEISA-N 1 0 252.745 1.703 40 0 CDABRO CC(C)N(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](C)[NH3+] ZINC000079418838 358069658 /nfs/dbraw/zinc/06/96/58/358069658.db2.gz ATUHNSUYMKJAQQ-NSHDSACASA-N 1 0 278.352 1.542 40 0 CDABRO C[N@@H+]1C[C@@H](CO)CC12CN(C(=O)C1=CCCCC1)C2 ZINC000585093829 358098593 /nfs/dbraw/zinc/09/85/93/358098593.db2.gz ICZOCYKNRLBKRF-LBPRGKRZSA-N 1 0 264.369 1.012 40 0 CDABRO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000082332081 358160952 /nfs/dbraw/zinc/16/09/52/358160952.db2.gz YLIGKPBAHZMKCJ-LLVKDONJSA-N 1 0 278.352 1.984 40 0 CDABRO c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@@H]2NC[C@@H]1CCCO1 ZINC000096062806 358707546 /nfs/dbraw/zinc/70/75/46/358707546.db2.gz ZHPMTRBAPZZNGH-VCOSZWKGSA-N 1 0 258.365 1.813 40 0 CDABRO CN1Cc2cccc(I)c2[C@@H](O)C1 ZINC000096171902 358713077 /nfs/dbraw/zinc/71/30/77/358713077.db2.gz BXMJYXBROALGEP-VIFPVBQESA-N 1 0 289.116 1.770 40 0 CDABRO CCn1nc(C)c(C[NH2+]C[C@H](O)c2ccco2)c1C ZINC000080190017 358713503 /nfs/dbraw/zinc/71/35/03/358713503.db2.gz WHUWAEMIJBXTNJ-ZDUSSCGKSA-N 1 0 263.341 1.936 40 0 CDABRO CCc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N[C@@H]3C)o1 ZINC000096201473 358718265 /nfs/dbraw/zinc/71/82/65/358718265.db2.gz WFPIGVQJTGNPRV-GFCCVEGCSA-N 1 0 292.379 1.712 40 0 CDABRO C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCc2cccs2)C1 ZINC000096206143 358719985 /nfs/dbraw/zinc/71/99/85/358719985.db2.gz CTDPNSCLRYVHQP-BNOWGMLFSA-N 1 0 294.420 1.721 40 0 CDABRO C[N@@H+]1CCOC[C@@]2(CCCN(c3nncs3)C2)C1 ZINC000096229337 358724229 /nfs/dbraw/zinc/72/42/29/358724229.db2.gz HGDCSRANUYKBFA-LBPRGKRZSA-N 1 0 268.386 1.087 40 0 CDABRO c1nc2c(c(C3CC3)n1)CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096255122 358728607 /nfs/dbraw/zinc/72/86/07/358728607.db2.gz GQHGGXVFUPOSQK-LBPRGKRZSA-N 1 0 273.380 1.791 40 0 CDABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](CCOC)C[C@@H]32)C(=O)N1CC ZINC000096261621 358729476 /nfs/dbraw/zinc/72/94/76/358729476.db2.gz MDIQSAPWXDOTCP-DVOMOZLQSA-N 1 0 293.411 1.384 40 0 CDABRO COc1ccc([C@@H]2C[NH2+][C@H]3CCCN(C(C)=O)[C@H]23)cc1 ZINC000409412900 360221859 /nfs/dbraw/zinc/22/18/59/360221859.db2.gz UIPRDYMNHVODCQ-HRCADAONSA-N 1 0 274.364 1.762 40 0 CDABRO Cn1c(Cl)nc2ccc(C(=O)NCCC[NH+](C)C)cc21 ZINC000225987833 189768423 /nfs/dbraw/zinc/76/84/23/189768423.db2.gz NXTQRFJAUJQCNZ-UHFFFAOYSA-N 1 0 294.786 1.908 40 0 CDABRO O=S(=O)(c1ccc(O[C@@H]2CC[NH2+]C2)cc1)C(F)(F)F ZINC000051868335 374020998 /nfs/dbraw/zinc/02/09/98/374020998.db2.gz UBAOXUOVMLMLIW-SECBINFHSA-N 1 0 295.282 1.721 40 0 CDABRO CCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081531379 374061234 /nfs/dbraw/zinc/06/12/34/374061234.db2.gz VFKUKOCTZMPWCK-UHFFFAOYSA-N 1 0 283.416 1.588 40 0 CDABRO COCCOCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000067664948 374424020 /nfs/dbraw/zinc/42/40/20/374424020.db2.gz QEWDDLNGKAKJOA-OAHLLOKOSA-N 1 0 297.395 1.587 40 0 in-vitro CDABRO Cc1cc(C[NH2+]C[C@H](O)c2ccco2)ccc1-n1cncn1 ZINC000080189003 374873229 /nfs/dbraw/zinc/87/32/29/374873229.db2.gz UMDNUKQIXOBRBE-HNNXBMFYSA-N 1 0 298.346 1.992 40 0 CDABRO Cc1nc(Cn2c(=O)ccc3c2CC[NH2+]CC3)cs1 ZINC000306134553 374970094 /nfs/dbraw/zinc/97/00/94/374970094.db2.gz NRNBKCPGSSVAAV-UHFFFAOYSA-N 1 0 275.377 1.350 40 0 CDABRO c1ccc(COC[C@H]2CCC[C@@]23C[NH2+]CCO3)nc1 ZINC000306142274 374972659 /nfs/dbraw/zinc/97/26/59/374972659.db2.gz WVEYGDQOCUCMTC-UKRRQHHQSA-N 1 0 262.353 1.757 40 0 CDABRO O=C1C[C@H]([C@H]2CCCC[N@@H+]2CCO[C@@H]2CCCCO2)CN1 ZINC000225530983 375161147 /nfs/dbraw/zinc/16/11/47/375161147.db2.gz VVZZJYWKSVYZCZ-SQWLQELKSA-N 1 0 296.411 1.520 40 0 CDABRO O=c1ccc(-c2ccccc2)nn1C1CC[NH2+]CC1 ZINC000041630286 375624377 /nfs/dbraw/zinc/62/43/77/375624377.db2.gz HGXQWFBWMIVRKS-UHFFFAOYSA-N 1 0 255.321 1.835 40 0 CDABRO CCCn1cc(C[NH2+]CCN2CCOCC2)c(C)n1 ZINC000256054949 190005560 /nfs/dbraw/zinc/00/55/60/190005560.db2.gz YLXQOJPNTUOMMD-UHFFFAOYSA-N 1 0 266.389 1.023 40 0 CDABRO Cc1nn(C)c2nc([C@@]3(C)CCC[N@H+](CCO)C3)ccc12 ZINC000257205179 190011653 /nfs/dbraw/zinc/01/16/53/190011653.db2.gz AXYWFHVRVNGYSM-INIZCTEOSA-N 1 0 288.395 1.623 40 0 CDABRO Cc1n[nH]c(C)c1-c1cnc(C[C@H]2CC[N@@H+](C)C2)cn1 ZINC000257212633 190013043 /nfs/dbraw/zinc/01/30/43/190013043.db2.gz CEHDDLFYROJRLC-GFCCVEGCSA-N 1 0 271.368 1.978 40 0 CDABRO C[N@@H+]1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257213791 190013301 /nfs/dbraw/zinc/01/33/01/190013301.db2.gz CJBPDSMHBNYUCE-NSHDSACASA-N 1 0 270.340 1.819 40 0 CDABRO O=C(CCCn1cccn1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257219087 190013632 /nfs/dbraw/zinc/01/36/32/190013632.db2.gz DFNBIJVOOWDBSC-LSDHHAIUSA-N 1 0 290.411 1.654 40 0 CDABRO CCOCC[N@@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257215966 190013924 /nfs/dbraw/zinc/01/39/24/190013924.db2.gz CSLXIODPXKDPTD-ZIAGYGMSSA-N 1 0 269.316 1.286 40 0 CDABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](C)C2)nc(C)n1 ZINC000257236879 190017572 /nfs/dbraw/zinc/01/75/72/190017572.db2.gz HEDVNPXRPYOCQE-LBPRGKRZSA-N 1 0 276.384 1.734 40 0 CDABRO Cc1nc(C(=O)NC2CC2)cc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257271751 190024125 /nfs/dbraw/zinc/02/41/25/190024125.db2.gz MZRJGFUQTDUEAI-LLVKDONJSA-N 1 0 274.368 1.486 40 0 CDABRO Cc1cc(-c2nccnc2CC2CC[NH2+]CC2)n[nH]1 ZINC000257252620 190021202 /nfs/dbraw/zinc/02/12/02/190021202.db2.gz JVLVVXJMFIEWFL-UHFFFAOYSA-N 1 0 257.341 1.717 40 0 CDABRO Cc1ncsc1C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257282640 190026146 /nfs/dbraw/zinc/02/61/46/190026146.db2.gz OUPMAQYSPAMUPD-STQMWFEESA-N 1 0 268.382 1.567 40 0 CDABRO O=C1CCCN1C[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000257305039 190030415 /nfs/dbraw/zinc/03/04/15/190030415.db2.gz SOEJLQSNCTWCMZ-OAHLLOKOSA-N 1 0 273.380 1.916 40 0 CDABRO Nc1cc(CC[C@H]2CN(Cc3ncc[nH]3)CCO2)cc[nH+]1 ZINC000257301461 190030667 /nfs/dbraw/zinc/03/06/67/190030667.db2.gz RYNKCWGRYPYRLR-ZDUSSCGKSA-N 1 0 287.367 1.221 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cccc3cccnc32)C1 ZINC000257305777 190030945 /nfs/dbraw/zinc/03/09/45/190030945.db2.gz SRMBLOAAXCXNSL-QGZVFWFLSA-N 1 0 299.374 1.373 40 0 CDABRO Cn1ccnc1C(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257305691 190031266 /nfs/dbraw/zinc/03/12/66/190031266.db2.gz SRBGOAMZNDFELH-WFASDCNBSA-N 1 0 276.384 1.509 40 0 CDABRO O=C(c1cnccn1)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257311052 190032248 /nfs/dbraw/zinc/03/22/48/190032248.db2.gz UHSLYMGKYABYSD-NWDGAFQWSA-N 1 0 260.341 1.081 40 0 CDABRO Cc1ccc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)cc1F ZINC000257320097 190033893 /nfs/dbraw/zinc/03/38/93/190033893.db2.gz VVJLZIDHVVSWBO-HUUCEWRRSA-N 1 0 292.354 1.415 40 0 CDABRO CCN(C[C@H]1CCCCN1C(=O)C[NH3+])C(=O)OC(C)(C)C ZINC000079409165 285082644 /nfs/dbraw/zinc/08/26/44/285082644.db2.gz GRORILYWXIXELV-GFCCVEGCSA-N 1 0 299.415 1.583 40 0 CDABRO CC(C)N1CCc2[nH]c(=O)c(Br)cc2C1 ZINC000096510616 390530338 /nfs/dbraw/zinc/53/03/38/390530338.db2.gz NBKYGETUZBQUNS-UHFFFAOYSA-N 1 0 271.158 1.904 40 0 CDABRO CCN1C(=O)[C@H](N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096526075 390540761 /nfs/dbraw/zinc/54/07/61/390540761.db2.gz FFVTWRQYJMZTKR-ZJUUUORDSA-N 1 0 258.243 1.936 40 0 CDABRO COc1ccccc1CN1CCOC2(CC[NH2+]CC2)C1 ZINC000096531570 390541683 /nfs/dbraw/zinc/54/16/83/390541683.db2.gz KECRAIXCGLDNLX-UHFFFAOYSA-N 1 0 276.380 1.650 40 0 CDABRO CC(=O)N1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216575 390622252 /nfs/dbraw/zinc/62/22/52/390622252.db2.gz VPSFRVRODMLIOX-OAHLLOKOSA-N 1 0 288.395 1.517 40 0 CDABRO C[C@H]1CCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096157309 390913294 /nfs/dbraw/zinc/91/32/94/390913294.db2.gz LWRIIFBOFNRBHI-RYUDHWBXSA-N 1 0 252.358 1.299 40 0 CDABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(c1ncccn1)CC2 ZINC000096206508 390913557 /nfs/dbraw/zinc/91/35/57/390913557.db2.gz VXENXUWBSNLJNX-ZDUSSCGKSA-N 1 0 276.384 1.414 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@H]1c1cccc(F)c1 ZINC000242722798 391944853 /nfs/dbraw/zinc/94/48/53/391944853.db2.gz XVEKETYUKFVLJG-QJPTWQEYSA-N 1 0 257.330 1.301 40 0 CDABRO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[NH2+]C[C@@H]32)cs1 ZINC000306122998 392105323 /nfs/dbraw/zinc/10/53/23/392105323.db2.gz ABYASKGHFRDLRT-OLZOCXBDSA-N 1 0 288.376 1.422 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@H]1c1ccc(Br)cc1 ZINC000252514072 392797115 /nfs/dbraw/zinc/79/71/15/392797115.db2.gz BCAYKDOSAQCOBW-BBBLOLIVSA-N 1 0 290.182 1.287 40 0 CDABRO CC[C@@H]1C[C@H]1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334956382 150113779 /nfs/dbraw/zinc/11/37/79/150113779.db2.gz UQAMWBNVTWUEFU-OLZOCXBDSA-N 1 0 265.401 1.818 40 0 CDABRO Fc1ccc2c(c1)CN(CCn1cccn1)CCO2 ZINC000335783297 151015988 /nfs/dbraw/zinc/01/59/88/151015988.db2.gz PFAUYJKBGRIFOP-UHFFFAOYSA-N 1 0 261.300 1.917 40 0 CDABRO C[C@@H]1CCC[C@H](C)N1C(=O)CNCCC[NH+](C)C ZINC000004969386 170046834 /nfs/dbraw/zinc/04/68/34/170046834.db2.gz UHADFEGDTOFTLP-BETUJISGSA-N 1 0 255.406 1.317 40 0 CDABRO CCCC[NH+](CCCC)CCOCCOCCO ZINC000005419524 170097114 /nfs/dbraw/zinc/09/71/14/170097114.db2.gz DOTWRFMCAAWQII-UHFFFAOYSA-N 1 0 261.406 1.914 40 0 CDABRO Cc1cccc(C)c1NC(=O)CSC1=[NH+]CCN1 ZINC000005548769 170111913 /nfs/dbraw/zinc/11/19/13/170111913.db2.gz SJXNLFMFPMLVAQ-UHFFFAOYSA-N 1 0 263.366 1.934 40 0 CDABRO CC[NH+](CC)CCNC(=O)[C@@H](O)C1CCCCC1 ZINC000006382183 170196593 /nfs/dbraw/zinc/19/65/93/170196593.db2.gz AEJNJYXCFLHBNN-ZDUSSCGKSA-N 1 0 256.390 1.386 40 0 CDABRO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OC ZINC000008326352 170331467 /nfs/dbraw/zinc/33/14/67/170331467.db2.gz DVYDPPBUCVILRK-LBPRGKRZSA-N 1 0 253.342 1.954 40 0 CDABRO CC[NH+](CC)CC(=O)Nc1ccc(OC)cc1N ZINC000008703623 170347932 /nfs/dbraw/zinc/34/79/32/170347932.db2.gz VSRNYSUTAVLQGI-UHFFFAOYSA-N 1 0 251.330 1.558 40 0 CDABRO COc1ccc(NC(=O)C2CC[NH2+]CC2)cc1OC ZINC000019413092 170790392 /nfs/dbraw/zinc/79/03/92/170790392.db2.gz GYDLXOKRBJQNAK-UHFFFAOYSA-N 1 0 264.325 1.642 40 0 CDABRO O=C(C[NH2+]C1CCC1)n1c(=O)sc2ccccc21 ZINC000039943761 174176667 /nfs/dbraw/zinc/17/66/67/174176667.db2.gz NHXHTBGABZQNSN-UHFFFAOYSA-N 1 0 262.334 1.845 40 0 CDABRO O=S(=O)(c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000071585877 176211726 /nfs/dbraw/zinc/21/17/26/176211726.db2.gz CQFKNMOVZKICLX-UHFFFAOYSA-N 1 0 259.758 1.866 40 0 CDABRO COCC(=O)N1CCC[C@@H]1c1cc(N(C)C)cc(C)[nH+]1 ZINC000072356650 176375710 /nfs/dbraw/zinc/37/57/10/176375710.db2.gz XUPZWKGBXNVVNC-CQSZACIVSA-N 1 0 277.368 1.766 40 0 CDABRO CC1(CNc2cc(CC[C@H]3CCCC[NH2+]3)ncn2)COC1 ZINC000072365512 176380482 /nfs/dbraw/zinc/38/04/82/176380482.db2.gz PGOGOAULYYXHHX-CYBMUJFWSA-N 1 0 290.411 2.000 40 0 CDABRO COCCNc1nccnc1C[C@H]1CCC[N@H+](C)CC1 ZINC000072386652 176392000 /nfs/dbraw/zinc/39/20/00/176392000.db2.gz KPRZOJJFDBCNOG-ZDUSSCGKSA-N 1 0 278.400 1.809 40 0 CDABRO COCCNc1nccnc1C[C@@H]1CCC[N@H+](C)CC1 ZINC000072386653 176392355 /nfs/dbraw/zinc/39/23/55/176392355.db2.gz KPRZOJJFDBCNOG-CYBMUJFWSA-N 1 0 278.400 1.809 40 0 CDABRO COCCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717823 262303060 /nfs/dbraw/zinc/30/30/60/262303060.db2.gz GNCXMNBRMVPCHK-UHFFFAOYSA-N 1 0 250.346 1.203 40 0 CDABRO CC(C)C[NH2+]C[C@H]1COCc2nc3cccnc3n21 ZINC000096112790 275582191 /nfs/dbraw/zinc/58/21/91/275582191.db2.gz HEMUVTOWIRRYAH-NSHDSACASA-N 1 0 260.341 1.748 40 0 biogenic,in-vitro CDABRO COc1cccc(CN2CCO[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC000063527650 278010793 /nfs/dbraw/zinc/01/07/93/278010793.db2.gz GCZJWEOPCPBICK-KRWDZBQOSA-N 1 0 290.407 1.992 40 0 CDABRO COc1ccc([C@@H]2CN(C(C)=O)[C@H]3CCC[NH2+][C@H]23)cc1 ZINC000409412904 295225573 /nfs/dbraw/zinc/22/55/73/295225573.db2.gz UNXRUBYHEBJKRZ-HRCADAONSA-N 1 0 274.364 1.762 40 0 CDABRO CC[C@@H](C)[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000062717761 522231081 /nfs/dbraw/zinc/23/10/81/522231081.db2.gz QBXPSKNCNKIPCF-LLVKDONJSA-N 1 0 250.346 1.201 40 0 CDABRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000092747287 567901609 /nfs/dbraw/zinc/90/16/09/567901609.db2.gz BCORXGFOWMHREA-YNEHKIRRSA-N 1 0 274.430 1.436 40 0 CDABRO C[C@H](NC(=O)c1ccc(NC(N)=[NH2+])cc1)C(F)(F)F ZINC000254286845 1160708331 /nfs/dbraw/zinc/70/83/31/1160708331.db2.gz GWHLIATXHJLEEN-LURJTMIESA-N 1 0 274.246 1.673 40 0 CDABRO COC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC000199419687 1184767434 /nfs/dbraw/zinc/76/74/34/1184767434.db2.gz CWWWCFBOPUOWOI-CYBMUJFWSA-N 1 0 291.395 1.445 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC001548448164 967495489 /nfs/dbraw/zinc/49/54/89/967495489.db2.gz PCSWXJPMFVDXGM-WDEREUQCSA-N 1 0 290.697 1.335 40 0 CDABRO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](CCc3ccccc3)C[C@@H]2O1 ZINC000096043221 185070219 /nfs/dbraw/zinc/07/02/19/185070219.db2.gz FKVIWXOCZQSIDV-XHSDSOJGSA-N 1 0 288.391 1.455 40 0 CDABRO O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096053750 185074138 /nfs/dbraw/zinc/07/41/38/185074138.db2.gz LPBJEIWKQSERJG-GJZGRUSLSA-N 1 0 297.358 1.879 40 0 CDABRO C[NH+](C)C[C@@H]1CO[C@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096051916 185074206 /nfs/dbraw/zinc/07/42/06/185074206.db2.gz OEOZLFWSQPTAQX-ZBFHGGJFSA-N 1 0 294.395 1.449 40 0 CDABRO Cn1cc2c(n1)[C@@H](C[NH2+]Cc1ccsc1)OCC2 ZINC000096059677 185081180 /nfs/dbraw/zinc/08/11/80/185081180.db2.gz XZMSNZYAKQCHOU-GFCCVEGCSA-N 1 0 263.366 1.885 40 0 CDABRO CCn1nnc2c1[C@H](COC)C[N@H+](CC1CC1)C2 ZINC000096060847 185082420 /nfs/dbraw/zinc/08/24/20/185082420.db2.gz XRAQBQYEJPJKAU-NSHDSACASA-N 1 0 250.346 1.254 40 0 CDABRO CN(C)C(=O)[C@H]1CCC2(CC[NH+](Cc3ccoc3)CC2)O1 ZINC000096061123 185082489 /nfs/dbraw/zinc/08/24/89/185082489.db2.gz XVZXIRLYPBDFOQ-CQSZACIVSA-N 1 0 292.379 1.881 40 0 CDABRO COCC(=O)N1CCC[C@@]2(C[C@@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000096075665 185089917 /nfs/dbraw/zinc/08/99/17/185089917.db2.gz HMKYSGSLGKCSAA-XJKSGUPXSA-N 1 0 296.411 1.125 40 0 CDABRO COCc1nnc2n1CC[N@@H+](CC1CCC1)[C@H](C)C2 ZINC000585097484 342211608 /nfs/dbraw/zinc/21/16/08/342211608.db2.gz KKNKJWKLRMBHMW-LLVKDONJSA-N 1 0 264.373 1.471 40 0 CDABRO Fc1cccnc1OC[C@H]1CCn2cncc2C[NH2+]1 ZINC000585098580 342211956 /nfs/dbraw/zinc/21/19/56/342211956.db2.gz ZLANUOPAZPAQBW-SNVBAGLBSA-N 1 0 262.288 1.358 40 0 CDABRO CO[C@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1CC(=O)N(C)C ZINC000585276556 342256429 /nfs/dbraw/zinc/25/64/29/342256429.db2.gz PPJNLIIJWJLLDM-ZFWWWQNUSA-N 1 0 291.395 1.315 40 0 CDABRO c1cc2n(n1)[C@H](C[NH+]1CCCC1)CN(C1CCOCC1)C2 ZINC000253603690 362441576 /nfs/dbraw/zinc/44/15/76/362441576.db2.gz KANVNZWWTUJPFI-MRXNPFEDSA-N 1 0 290.411 1.515 40 0 CDABRO c1ccc(COC[C@@H]2CCC[C@@]23C[NH2+]CCO3)nc1 ZINC000306142273 201845845 /nfs/dbraw/zinc/84/58/45/201845845.db2.gz WVEYGDQOCUCMTC-DZGCQCFKSA-N 1 0 262.353 1.757 40 0 CDABRO O=C1NC[C@H]2C[N@H+](CCCc3ccccc3)CCN12 ZINC000085436133 179063012 /nfs/dbraw/zinc/06/30/12/179063012.db2.gz FQEQDZVFRYLGCP-AWEZNQCLSA-N 1 0 259.353 1.329 40 0 biogenic,in-vitro CDABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[NH2+]C2)OC3)cc1 ZINC000306139206 282969747 /nfs/dbraw/zinc/96/97/47/282969747.db2.gz SSCNSDNERGHXBQ-HNNXBMFYSA-N 1 0 273.311 1.952 40 0 CDABRO Cc1ccc(C[N@H+]2CC[C@@H]([NH+](C)C)C[C@H]2C(=O)[O-])cc1 ZINC000107214425 186163426 /nfs/dbraw/zinc/16/34/26/186163426.db2.gz HQRWHMJJEVALCL-CABCVRRESA-N 1 0 276.380 1.974 40 0 CDABRO CC1CCN(C(=O)C[C@@H]2COC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000107490212 186175863 /nfs/dbraw/zinc/17/58/63/186175863.db2.gz OOTVLQZRTREUGN-MCIONIFRSA-N 1 0 266.385 1.117 40 0 CDABRO CN(C)C(=O)NC1CC2(C1)CC[N@H+](Cc1cncn1C)C2 ZINC000108529844 186221829 /nfs/dbraw/zinc/22/18/29/186221829.db2.gz OHNZHCQIOBCQOF-UHFFFAOYSA-N 1 0 291.399 1.046 40 0 CDABRO Cc1nc([C@@H]2CCC[NH2+]C2)ncc1C(=O)NC(C)C ZINC000019766882 351349787 /nfs/dbraw/zinc/34/97/87/351349787.db2.gz CAYQJSCGXPJJAR-LLVKDONJSA-N 1 0 262.357 1.390 40 0 CDABRO CC(C)c1nnc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000074996620 366145184 /nfs/dbraw/zinc/14/51/84/366145184.db2.gz MPQGYLWMXHYOKL-NEPJUHHUSA-N 1 0 264.373 1.862 40 0 CDABRO CCOC(=O)C1(c2cccc(O)c2)CC[NH+](C)CC1 ZINC000000001544 355879582 /nfs/dbraw/zinc/87/95/82/355879582.db2.gz WTJBNMUWRKPFRS-UHFFFAOYSA-N 1 0 263.337 1.919 40 0 in-man CDABRO CS(=O)(=O)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000002043582 355958934 /nfs/dbraw/zinc/95/89/34/355958934.db2.gz YRQSMKZHDMJZRV-ZDUSSCGKSA-N 1 0 274.430 1.677 40 0 CDABRO NC(=O)[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(F)cc1 ZINC000134879480 356444374 /nfs/dbraw/zinc/44/43/74/356444374.db2.gz HJEZXGPFWAXEPI-MNOVXSKESA-N 1 0 254.330 1.447 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)nn1)C1CC1 ZINC000079435884 356996089 /nfs/dbraw/zinc/99/60/89/356996089.db2.gz GTEHFVPWXXDQQB-LBPRGKRZSA-N 1 0 282.775 1.604 40 0 CDABRO Brc1ccc(CCN2CC[NH2+]CC2)cc1 ZINC000041389388 357034121 /nfs/dbraw/zinc/03/41/21/357034121.db2.gz RNPHYPDEAQTYBD-UHFFFAOYSA-N 1 0 269.186 1.897 40 0 CDABRO COc1cc(NC(=O)C2CC[NH2+]CC2)cc(OC)c1 ZINC000019409911 358017778 /nfs/dbraw/zinc/01/77/78/358017778.db2.gz LHSIPORZEHFPIV-UHFFFAOYSA-N 1 0 264.325 1.642 40 0 CDABRO CCOC[C@@H]1C[N@H+](C)C2(CN(c3ncccn3)C2)C1 ZINC000585093869 358099188 /nfs/dbraw/zinc/09/91/88/358099188.db2.gz LRKUUONCUUWRLR-LBPRGKRZSA-N 1 0 262.357 1.024 40 0 CDABRO C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)C[NH+](C)C)C1 ZINC000135278258 358145721 /nfs/dbraw/zinc/14/57/21/358145721.db2.gz BHEZIRZWZCRQBZ-RISCZKNCSA-N 1 0 256.390 1.242 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100177855 358643889 /nfs/dbraw/zinc/64/38/89/358643889.db2.gz ITJISYGAMQNLNP-TXEJJXNPSA-N 1 0 299.415 1.630 40 0 CDABRO O=C([C@@H]1CO[C@@H]2CC[N@H+](CC3CC3)C[C@@H]2C1)N1CCCO1 ZINC000096058174 358707477 /nfs/dbraw/zinc/70/74/77/358707477.db2.gz AKVXBOOLSGOPSZ-SOUVJXGZSA-N 1 0 294.395 1.287 40 0 CDABRO NC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096161720 358711126 /nfs/dbraw/zinc/71/11/26/358711126.db2.gz AHTWIFJNVSMNIA-TXEJJXNPSA-N 1 0 263.316 1.268 40 0 CDABRO CN(Cc1ccco1)[C@@H]1C[N@H+](C)[C@@H]2CCCO[C@H]12 ZINC000096185987 358713694 /nfs/dbraw/zinc/71/36/94/358713694.db2.gz GCSWIXZAFFPDKA-MCIONIFRSA-N 1 0 250.342 1.573 40 0 CDABRO c1coc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1 ZINC000096188607 358715011 /nfs/dbraw/zinc/71/50/11/358715011.db2.gz OEOIEDQFYLQNNM-ZDUSSCGKSA-N 1 0 298.350 1.400 40 0 CDABRO COCC[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccno1)C2 ZINC000096203229 358718930 /nfs/dbraw/zinc/71/89/30/358718930.db2.gz PEZINMJSHPJKIF-HNNXBMFYSA-N 1 0 293.367 1.392 40 0 CDABRO Cc1cnc(N2CC3(C2)CC[N@@H+](Cc2cnn(C)c2)C3)nc1 ZINC000096202671 358719456 /nfs/dbraw/zinc/71/94/56/358719456.db2.gz MMGJBEMKYMUTDB-UHFFFAOYSA-N 1 0 298.394 1.231 40 0 CDABRO CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC000096205920 358719978 /nfs/dbraw/zinc/71/99/78/358719978.db2.gz BYPUIJOPZUZCAZ-GDBMZVCRSA-N 1 0 295.427 1.681 40 0 CDABRO COC[C@@H]1C(=O)NCC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096206135 358720672 /nfs/dbraw/zinc/72/06/72/358720672.db2.gz DEOUDWMKPLKXDY-CQSZACIVSA-N 1 0 292.379 1.563 40 0 CDABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096216311 358721495 /nfs/dbraw/zinc/72/14/95/358721495.db2.gz IPEDRKSMTRBLCH-DOTOQJQBSA-N 1 0 288.391 1.727 40 0 CDABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)CO)C[C@@H]21 ZINC000096251700 358726642 /nfs/dbraw/zinc/72/66/42/358726642.db2.gz OLSGVSYOBDTJSH-ZOBUZTSGSA-N 1 0 288.391 1.616 40 0 CDABRO COc1ncnc2c1CC[N@H+](Cc1cccc(C)n1)CC2 ZINC000096255567 358728887 /nfs/dbraw/zinc/72/88/87/358728887.db2.gz KFLGJPJDFKSTKN-UHFFFAOYSA-N 1 0 284.363 1.789 40 0 CDABRO COc1ncnc2c1CC[N@H+](Cc1ccccn1)CC2 ZINC000096255564 358728919 /nfs/dbraw/zinc/72/89/19/358728919.db2.gz LWLBBUADQVEEBK-UHFFFAOYSA-N 1 0 270.336 1.481 40 0 CDABRO CCOCc1nnc2n1CC[N@@H+](Cc1ccsc1)CC2 ZINC000096259192 358728923 /nfs/dbraw/zinc/72/89/23/358728923.db2.gz LXJVKGHGBLWAFH-UHFFFAOYSA-N 1 0 292.408 1.934 40 0 CDABRO C[N@@H+]1CCC[C@@]2(CN(C(=O)c3ccncc3)CCO2)C1 ZINC000096268587 358730609 /nfs/dbraw/zinc/73/06/09/358730609.db2.gz IAMGLIMEOVXARE-HNNXBMFYSA-N 1 0 275.352 1.018 40 0 CDABRO COc1cccc([C@@H](C[NH3+])N2CCOCC2)c1OC ZINC000019258300 358839522 /nfs/dbraw/zinc/83/95/22/358839522.db2.gz JOOHEYDVJFMCCA-GFCCVEGCSA-N 1 0 266.341 1.036 40 0 CDABRO CCS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019851962 359468196 /nfs/dbraw/zinc/46/81/96/359468196.db2.gz YEUSQQDGKPZLMN-RDBSUJKOSA-N 1 0 284.425 1.166 40 0 CDABRO NC(=[NH2+])COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000226104958 359647259 /nfs/dbraw/zinc/64/72/59/359647259.db2.gz STFYOJPLOYJMDK-UHFFFAOYSA-N 1 0 297.380 1.176 40 0 CDABRO CN(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000075714740 359943406 /nfs/dbraw/zinc/94/34/06/359943406.db2.gz WONLKTGALONBHO-CQSZACIVSA-N 1 0 275.396 1.983 40 0 CDABRO CCCN(CC(N)=[NH2+])S(=O)(=O)c1ccc(C)cc1 ZINC000079785990 359997696 /nfs/dbraw/zinc/99/76/96/359997696.db2.gz ODPMCDGHMJTBNF-UHFFFAOYSA-N 1 0 269.370 1.332 40 0 CDABRO CCCC[N@H+](C)C[C@@H]1OC[C@H](NC(=O)C2CCCC2)[C@H]1O ZINC000514289091 360125488 /nfs/dbraw/zinc/12/54/88/360125488.db2.gz NWUZQBAROQHEHX-SOUVJXGZSA-N 1 0 298.427 1.153 40 0 biogenic,in-vitro CDABRO CC(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(N)c1 ZINC000226262884 360417544 /nfs/dbraw/zinc/41/75/44/360417544.db2.gz KOWQUFBZUMYOMJ-UHFFFAOYSA-N 1 0 276.384 1.615 40 0 CDABRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1cc(F)c(F)cc1F ZINC000237708751 373849305 /nfs/dbraw/zinc/84/93/05/373849305.db2.gz CYNXKFUZMKXNGY-SSDOTTSWSA-N 1 0 294.298 1.134 40 0 CDABRO NC(=O)NC(=O)CC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000048579634 373979796 /nfs/dbraw/zinc/97/97/96/373979796.db2.gz ZAUYCBZCMRODJR-UHFFFAOYSA-N 1 0 295.770 1.889 40 0 CDABRO Fc1cccc(-c2nnc(CN3CC[NH2+]CC3)[nH]2)c1 ZINC000064875479 374240964 /nfs/dbraw/zinc/24/09/64/374240964.db2.gz VGJQKQBSLAFFIB-UHFFFAOYSA-N 1 0 261.304 1.016 40 0 CDABRO CCOc1cc(N2CC[NH2+][C@@H](C)C2)nc(SC)n1 ZINC000079439716 374404827 /nfs/dbraw/zinc/40/48/27/374404827.db2.gz UGENQPYGUGLMIZ-VIFPVBQESA-N 1 0 268.386 1.395 40 0 CDABRO Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1cccnc1)CC2 ZINC000225517976 374647592 /nfs/dbraw/zinc/64/75/92/374647592.db2.gz CJDMZUWCMSVMMK-JTQLQIEISA-N 1 0 256.309 1.857 40 0 CDABRO COC(=O)CC1(CC(=O)N2CC([NH+](C)C)C2)CCCC1 ZINC000225544592 375162843 /nfs/dbraw/zinc/16/28/43/375162843.db2.gz FVWINBFJCDDOHC-UHFFFAOYSA-N 1 0 282.384 1.272 40 0 CDABRO Cc1c(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cnn1C ZINC000256051938 190003546 /nfs/dbraw/zinc/00/35/46/190003546.db2.gz LEDUBSDBAFALPM-UHFFFAOYSA-N 1 0 287.289 1.777 40 0 CDABRO CCOCCC[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256051432 190003674 /nfs/dbraw/zinc/00/36/74/190003674.db2.gz JDHSSEGDWSANNH-UHFFFAOYSA-N 1 0 261.316 1.973 40 0 CDABRO C[N@@H+]1CCC[C@H]1c1ccnc(C(=O)NCC2CC2)c1 ZINC000257205128 190011234 /nfs/dbraw/zinc/01/12/34/190011234.db2.gz AXUPWHQQNRFMSN-AWEZNQCLSA-N 1 0 259.353 1.988 40 0 CDABRO Cc1n[nH]cc1-c1cnc([C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000257214573 190012772 /nfs/dbraw/zinc/01/27/72/190012772.db2.gz CMMVWTXJJMXRQO-LLVKDONJSA-N 1 0 257.341 1.984 40 0 CDABRO Cc1n[nH]c(C)c1-c1cncc(C[C@@H]2CC[NH2+]C2)n1 ZINC000257235677 190017240 /nfs/dbraw/zinc/01/72/40/190017240.db2.gz GYWJQDGYCRJCMK-NSHDSACASA-N 1 0 257.341 1.636 40 0 CDABRO Cc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)s1 ZINC000257237210 190018051 /nfs/dbraw/zinc/01/80/51/190018051.db2.gz HFOSQNZNUDRQKH-YRGRVCCFSA-N 1 0 294.420 1.774 40 0 CDABRO Cc1cnc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[NH2+]3)cn1 ZINC000257245197 190019176 /nfs/dbraw/zinc/01/91/76/190019176.db2.gz IOMDXAQPOBUNGQ-ZIEJDFEHSA-N 1 0 286.379 1.530 40 0 CDABRO CNC(=O)C[N@@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257273880 190025001 /nfs/dbraw/zinc/02/50/01/190025001.db2.gz NIOSZRZJFKYLQH-ZDUSSCGKSA-N 1 0 283.375 1.845 40 0 CDABRO Cc1nc([C@H]2CCC[NH2+]2)ncc1C(=O)N1CCCC1 ZINC000257329815 190035123 /nfs/dbraw/zinc/03/51/23/190035123.db2.gz XLQKVMRVFAVPJY-GFCCVEGCSA-N 1 0 260.341 1.446 40 0 CDABRO OC1(CN2CC[NH2+]C[C@@H]2c2ccccc2)CCOCC1 ZINC000257332361 190035263 /nfs/dbraw/zinc/03/52/63/190035263.db2.gz XWYPBKRAFAINFA-OAHLLOKOSA-N 1 0 276.380 1.174 40 0 CDABRO COCCN(Cc1ccccn1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000042170110 379552355 /nfs/dbraw/zinc/55/23/55/379552355.db2.gz JDLQVCGETUUVDA-CYBMUJFWSA-N 1 0 277.368 1.199 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H](C[NH3+])[C@H]1c1ccc(C)cc1 ZINC000242463624 256698644 /nfs/dbraw/zinc/69/86/44/256698644.db2.gz DGAWDQKYHGEZIB-JHJVBQTASA-N 1 0 253.367 1.470 40 0 CDABRO COCC[NH+]1CCC2(CN(Cc3cccnc3)C2=O)CC1 ZINC000096202887 256822234 /nfs/dbraw/zinc/82/22/34/256822234.db2.gz HINLJEGPOIPGNX-UHFFFAOYSA-N 1 0 289.379 1.152 40 0 CDABRO O=C(C[C@@H]1C[C@H]2C[N@H+](CC3CC3)C[C@H]2O1)N1CCCCO1 ZINC000096215433 256825666 /nfs/dbraw/zinc/82/56/66/256825666.db2.gz BOSHHIUXRVCKHJ-SOUVJXGZSA-N 1 0 294.395 1.430 40 0 CDABRO O=C(NCc1ccccc1)N1C[C@H]2C[NH2+]C[C@@H](C1)C2(F)F ZINC000096261723 256838551 /nfs/dbraw/zinc/83/85/51/256838551.db2.gz WQAXZQVYLVXALT-BETUJISGSA-N 1 0 295.333 1.683 40 0 CDABRO [NH3+]C1CCN(Cc2cc(=O)oc3ccccc23)CC1 ZINC000096517062 390532125 /nfs/dbraw/zinc/53/21/25/390532125.db2.gz YUWKKDJHYCGKOY-UHFFFAOYSA-N 1 0 258.321 1.716 40 0 CDABRO C[NH+]1CCN(c2ncccc2[C@H]2CCCN2C=O)CC1 ZINC000072216570 390622185 /nfs/dbraw/zinc/62/21/85/390622185.db2.gz CUADYKQTUIGDCZ-CQSZACIVSA-N 1 0 274.368 1.127 40 0 CDABRO CC[C@](O)(C[NH3+])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207982 390616619 /nfs/dbraw/zinc/61/66/19/390616619.db2.gz XVIIDNBWPFHEFP-GWCFXTLKSA-N 1 0 258.362 1.486 40 0 CDABRO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3NN)c1 ZINC000062203238 391555511 /nfs/dbraw/zinc/55/55/11/391555511.db2.gz VFXPKCPMPXHHHA-UHFFFAOYSA-N 1 0 254.297 1.718 40 0 CDABRO CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@]2(C[NH3+])CO)cc1 ZINC000252515947 392797176 /nfs/dbraw/zinc/79/71/76/392797176.db2.gz OWGHEIDQVFILHI-QLFBSQMISA-N 1 0 297.420 1.087 40 0 CDABRO Cn1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)n1 ZINC000257674049 140338121 /nfs/dbraw/zinc/33/81/21/140338121.db2.gz HSYSOGKYLNGKGS-NSHDSACASA-N 1 0 250.346 1.656 40 0 CDABRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000004280291 169952877 /nfs/dbraw/zinc/95/28/77/169952877.db2.gz PCYQHVPDZYOFAK-CYBMUJFWSA-N 1 0 280.368 1.773 40 0 CDABRO CC(C)[NH2+]CCCNC(=O)[C@@H]1COc2ccccc2O1 ZINC000004782971 170016409 /nfs/dbraw/zinc/01/64/09/170016409.db2.gz USTVJTQOARUDCL-AWEZNQCLSA-N 1 0 278.352 1.331 40 0 CDABRO Cn1nc2c(C[NH2+]C3CC3)cc(-c3ccccc3)cn2c1=O ZINC000019288540 170773143 /nfs/dbraw/zinc/77/31/43/170773143.db2.gz NFYDNJZWOWHSMM-UHFFFAOYSA-N 1 0 294.358 1.952 40 0 CDABRO COC(=O)C[C@@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000035747956 172395507 /nfs/dbraw/zinc/39/55/07/172395507.db2.gz XQKXOWNZPLPJIJ-LLVKDONJSA-N 1 0 251.326 1.779 40 0 CDABRO CC1(C)[C@@H]([NH3+])C[C@H]1Cc1cc(CN2CCOCC2)on1 ZINC000067890107 175800027 /nfs/dbraw/zinc/80/00/27/175800027.db2.gz FLILZSDJWNYWHY-RISCZKNCSA-N 1 0 279.384 1.423 40 0 biogenic,in-vitro CDABRO CCn1nccc1C(=O)N1CCC[N@H+](CC2CC2)CC1 ZINC000072252824 176349920 /nfs/dbraw/zinc/34/99/20/176349920.db2.gz MIARNDTVOWQFAP-UHFFFAOYSA-N 1 0 276.384 1.461 40 0 CDABRO CC[N@@H+]1CCc2nc(NC[C@H]3CCCO3)ncc2C1 ZINC000072415046 176399150 /nfs/dbraw/zinc/39/91/50/176399150.db2.gz FCNIFPRVILNZLP-GFCCVEGCSA-N 1 0 262.357 1.446 40 0 CDABRO CN1C[C@H]2C[N@H+](Cc3c[nH]c4ccccc34)CCN2C1=O ZINC000077266760 177247394 /nfs/dbraw/zinc/24/73/94/177247394.db2.gz GGYZJMXQHJJXEU-ZDUSSCGKSA-N 1 0 284.363 1.720 40 0 biogenic,in-vitro CDABRO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCCO2)CC1 ZINC000078984434 177411725 /nfs/dbraw/zinc/41/17/25/177411725.db2.gz OTXVVJJQMPDXFR-CYBMUJFWSA-N 1 0 269.389 1.337 40 0 CDABRO CC(=O)N[C@@H]1C[NH2+]C2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000257235865 278150569 /nfs/dbraw/zinc/15/05/69/278150569.db2.gz GZWYMDWRRAXFMU-LBPRGKRZSA-N 1 0 297.399 1.254 40 0 CDABRO Cc1ccnc(NC(=O)c2cnc([C@H]3CCC[NH2+]3)cn2)c1 ZINC000257277837 278987153 /nfs/dbraw/zinc/98/71/53/278987153.db2.gz NZRYKCBFZKHWIW-LLVKDONJSA-N 1 0 283.335 1.857 40 0 CDABRO Cn1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000257334345 294333531 /nfs/dbraw/zinc/33/35/31/294333531.db2.gz YFMSKXAMLVNWIO-CQSZACIVSA-N 1 0 270.336 1.207 40 0 CDABRO CC(=O)NC1=C(c2ccccc2)[NH+]=C2N=CC=CN2C1 ZINC000026771225 1165704717 /nfs/dbraw/zinc/70/47/17/1165704717.db2.gz DHFZRYHEVSIFBX-UHFFFAOYSA-N 1 0 266.304 1.761 40 0 CDABRO C[C@@H]1C[NH2+]C[C@H]1CN1CCn2nc(C(C)(C)C)cc2C1 ZINC000923441601 923836267 /nfs/dbraw/zinc/83/62/67/923836267.db2.gz OVWXXAJNOIMEFN-OLZOCXBDSA-N 1 0 276.428 1.852 40 0 CDABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096039319 185069705 /nfs/dbraw/zinc/06/97/05/185069705.db2.gz WPFGANVDWNSCQZ-HZPDHXFCSA-N 1 0 293.411 1.828 40 0 CDABRO CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000096057366 185077311 /nfs/dbraw/zinc/07/73/11/185077311.db2.gz WQQRBXLWWSGCEW-KFWWJZLASA-N 1 0 292.354 1.694 40 0 CDABRO CCOC[C@H]1C[N@H+](CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060095 185081291 /nfs/dbraw/zinc/08/12/91/185081291.db2.gz WLQDSCJRDKSCRH-OAHLLOKOSA-N 1 0 293.411 1.782 40 0 CDABRO C[C@@H](O)C[NH+]1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC000096073043 185088219 /nfs/dbraw/zinc/08/82/19/185088219.db2.gz QYGUNUJKEQARNY-OLZOCXBDSA-N 1 0 279.384 1.139 40 0 CDABRO CC(C)C(=O)N1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096080873 185090858 /nfs/dbraw/zinc/09/08/58/185090858.db2.gz ODNSROBKFBDQJA-GJZGRUSLSA-N 1 0 273.380 1.628 40 0 CDABRO Cc1ccc(CN2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)o1 ZINC000096108239 185099385 /nfs/dbraw/zinc/09/93/85/185099385.db2.gz IFBXRXKFHUWKOA-HIFRSBDPSA-N 1 0 264.369 1.598 40 0 CDABRO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096108061 185100131 /nfs/dbraw/zinc/10/01/31/185100131.db2.gz BHQPTAXJMAAYBR-GDBMZVCRSA-N 1 0 292.354 1.505 40 0 CDABRO COc1ccccc1CN1Cc2cncn2CC[C@H]1CO ZINC000585096859 342211808 /nfs/dbraw/zinc/21/18/08/342211808.db2.gz DUBDTDKYZGPVGI-AWEZNQCLSA-N 1 0 287.363 1.659 40 0 CDABRO Cc1cnc(NCC[C@H]2CCOC23C[NH+](C(C)C)C3)nc1 ZINC000585102638 342212554 /nfs/dbraw/zinc/21/25/54/342212554.db2.gz DGQJXCBVLVDQAI-AWEZNQCLSA-N 1 0 290.411 1.508 40 0 CDABRO NC(=O)CC[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000585277398 342256401 /nfs/dbraw/zinc/25/64/01/342256401.db2.gz VZNHWOOYGOJBBL-HNNXBMFYSA-N 1 0 262.353 1.279 40 0 CDABRO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCOCC1 ZINC000585282565 342258544 /nfs/dbraw/zinc/25/85/44/342258544.db2.gz GZTZKANZWIJTML-KBPBESRZSA-N 1 0 296.411 1.003 40 0 CDABRO CO[C@@H]1COC[C@@H](C[NH2+]Cc2c(F)cccc2F)[C@@H]1O ZINC000585287096 342258665 /nfs/dbraw/zinc/25/86/65/342258665.db2.gz TWLIHASPLTYBQH-FZQKWOKYSA-N 1 0 287.306 1.077 40 0 CDABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)[C@@H]1O ZINC000585291139 342258882 /nfs/dbraw/zinc/25/88/82/342258882.db2.gz KQZQNDUCLKGAJZ-OAGGEKHMSA-N 1 0 279.380 1.510 40 0 CDABRO [NH3+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382212 344886572 /nfs/dbraw/zinc/88/65/72/344886572.db2.gz KXQTXGUCVJUILH-KLHDSHLOSA-N 1 0 299.374 1.003 40 0 biogenic,in-vitro CDABRO Cc1csc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC000205682552 348744099 /nfs/dbraw/zinc/74/40/99/348744099.db2.gz MCGIQYSFRYIHCZ-ZDUSSCGKSA-N 1 0 268.382 1.195 40 0 CDABRO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ccsc1 ZINC000107499932 186176956 /nfs/dbraw/zinc/17/69/56/186176956.db2.gz OUXAPGBEFGGDIA-ZMLRMANQSA-N 1 0 266.366 1.102 40 0 CDABRO CCOC(=O)[C@@H]1C(C)[C@H](C(=O)OCC)[C@@H](C)[NH2+][C@H]1C ZINC000004404178 356030600 /nfs/dbraw/zinc/03/06/00/356030600.db2.gz LORBKPOPJYPMLM-YIHPLGNESA-N 1 0 271.357 1.361 40 0 CDABRO CC(C)(C)[NH2+]C[C@@H](O)COC[C@@H]1COc2ccccc2O1 ZINC000003623554 356007800 /nfs/dbraw/zinc/00/78/00/356007800.db2.gz ZJWWWCZRROHPDH-CHWSQXEVSA-N 1 0 295.379 1.592 40 0 in-man CDABRO c1ccc2c(c1)OCCOCC[NH2+]CCOCCO2 ZINC000004262160 356025599 /nfs/dbraw/zinc/02/55/99/356025599.db2.gz VYORSCYQLBYHMM-UHFFFAOYSA-N 1 0 267.325 1.081 40 0 CDABRO CCN(CC)C(=O)c1cnc([C@@H]2CCC[NH2+]C2)nc1C ZINC000019766844 356500910 /nfs/dbraw/zinc/50/09/10/356500910.db2.gz MXSVQQXFJBMXPE-GFCCVEGCSA-N 1 0 276.384 1.734 40 0 CDABRO C[NH+](C)CCCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000030946692 356757909 /nfs/dbraw/zinc/75/79/09/356757909.db2.gz LMEIQZVSVJIHFA-UHFFFAOYSA-N 1 0 286.379 1.613 40 0 CDABRO C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000034289456 356811641 /nfs/dbraw/zinc/81/16/41/356811641.db2.gz UHLYNFJBXXJWEJ-UHFFFAOYSA-N 1 0 258.365 1.913 40 0 CDABRO CN(C[C@@H]1CCC[N@@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407865 356991407 /nfs/dbraw/zinc/99/14/07/356991407.db2.gz XQZIQWQYQOVKEB-NSHDSACASA-N 1 0 258.362 1.310 40 0 CDABRO CN(C[C@H]1CCC[N@@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079410936 356993654 /nfs/dbraw/zinc/99/36/54/356993654.db2.gz WGRPIUODNVOVRW-OAHLLOKOSA-N 1 0 292.379 1.712 40 0 CDABRO OCCN1CC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414339 356994180 /nfs/dbraw/zinc/99/41/80/356994180.db2.gz YMRUNCIESDOUHQ-MRXNPFEDSA-N 1 0 260.381 1.718 40 0 CDABRO CCN(CC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1)C(C)=O ZINC000079417972 356994523 /nfs/dbraw/zinc/99/45/23/356994523.db2.gz HLZCZQSDSNGCAH-AWEZNQCLSA-N 1 0 283.416 1.077 40 0 CDABRO CC(=O)N(C(C)C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079417737 356995309 /nfs/dbraw/zinc/99/53/09/356995309.db2.gz CDMZWCASOCCJIS-DRZSPHRISA-N 1 0 269.389 1.018 40 0 CDABRO CNS(=O)(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000019726801 357261758 /nfs/dbraw/zinc/26/17/58/357261758.db2.gz UJNVSBJTSDYBSM-UHFFFAOYSA-N 1 0 268.382 1.137 40 0 CDABRO C[N@@H+]1CCCSCCSCCCN(CC[NH3+])CC1 ZINC000068604366 357651871 /nfs/dbraw/zinc/65/18/71/357651871.db2.gz BCTAYSPMRGUONE-UHFFFAOYSA-N 1 0 291.530 1.439 40 0 CDABRO CCc1ccc(C(=O)N2CC3(C2)C[C@@H](CO)C[N@@H+]3C)cc1 ZINC000585093827 358098976 /nfs/dbraw/zinc/09/89/76/358098976.db2.gz IASUVTCCRLIPSD-CQSZACIVSA-N 1 0 288.391 1.388 40 0 CDABRO c1cnc(N2CC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)nc1 ZINC000096062518 358707554 /nfs/dbraw/zinc/70/75/54/358707554.db2.gz IXVGQSHXQZQIDI-INIZCTEOSA-N 1 0 288.395 1.415 40 0 CDABRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)c1 ZINC000096184510 358714175 /nfs/dbraw/zinc/71/41/75/358714175.db2.gz XSEJLYUQDLZWEU-CABCVRRESA-N 1 0 294.420 1.603 40 0 CDABRO c1cn2c(n1)CN([C@@H]1CCOC1)C[C@H](COCC1CC1)C2 ZINC000096187922 358715022 /nfs/dbraw/zinc/71/50/22/358715022.db2.gz BOHNUBLZQFYJKU-HUUCEWRRSA-N 1 0 291.395 1.530 40 0 CDABRO C[N@@H+]1CC[C@]2(C1)COCCN(C(=O)Cc1cccs1)C2 ZINC000096201945 358719288 /nfs/dbraw/zinc/71/92/88/358719288.db2.gz ASLODNBODIZTSV-OAHLLOKOSA-N 1 0 294.420 1.471 40 0 CDABRO CS(=O)(=O)N1CCC[C@]12CCCN(Cc1ccoc1)C2 ZINC000096215006 358720895 /nfs/dbraw/zinc/72/08/95/358720895.db2.gz SONYKKZEMFEPHR-AWEZNQCLSA-N 1 0 298.408 1.670 40 0 CDABRO CC[N@@H+]1CCO[C@@H]2CN(Cc3scnc3C)C[C@@H]2C1 ZINC000096219595 358722451 /nfs/dbraw/zinc/72/24/51/358722451.db2.gz WAKXXDGTDIKCAF-QWHCGFSZSA-N 1 0 281.425 1.604 40 0 CDABRO CO[C@@H]1CC[N@H+](C)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096220316 358722786 /nfs/dbraw/zinc/72/27/86/358722786.db2.gz ZNLIDARQVRMBQI-BFHYXJOUSA-N 1 0 281.425 1.602 40 0 CDABRO Cc1ccc(CN2CCO[C@]3(C2)COCC[N@@H+](C)C3)s1 ZINC000096229376 358723761 /nfs/dbraw/zinc/72/37/61/358723761.db2.gz VIWTYLKVIUDWKX-OAHLLOKOSA-N 1 0 296.436 1.590 40 0 CDABRO O=C1C[C@@]2(CC[N@H+](Cc3ccco3)C2)CN1c1cncnc1 ZINC000096239198 358724442 /nfs/dbraw/zinc/72/44/42/358724442.db2.gz KMCQCUIYLRBJCF-MRXNPFEDSA-N 1 0 298.346 1.699 40 0 CDABRO c1coc(CN2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)c1 ZINC000096246074 358725740 /nfs/dbraw/zinc/72/57/40/358725740.db2.gz FSGRPDZZEFBKGQ-OFQRWUPVSA-N 1 0 276.380 1.822 40 0 CDABRO CON(C)C(=O)C1CC[NH+](Cc2cccs2)CC1 ZINC000013999917 366505578 /nfs/dbraw/zinc/50/55/78/366505578.db2.gz NCHLWDKLSLTVQH-UHFFFAOYSA-N 1 0 268.382 1.980 40 0 CDABRO C[NH+](C)Cc1cnc2n1CCN(C(=O)C1CC=CC1)CC2 ZINC000104822353 358965816 /nfs/dbraw/zinc/96/58/16/358965816.db2.gz VQDIZKXWYFJITM-UHFFFAOYSA-N 1 0 288.395 1.296 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@H](c2cccnc2)N1 ZINC000022238412 359048133 /nfs/dbraw/zinc/04/81/33/359048133.db2.gz NEHAMUZNKPUGBN-GFCCVEGCSA-N 1 0 292.302 1.079 40 0 CDABRO c1cc2c(cccc2C[NH2+]CCN2CCOCC2)[nH]1 ZINC000023292051 359230901 /nfs/dbraw/zinc/23/09/01/359230901.db2.gz NEORGJVCLIFMFH-UHFFFAOYSA-N 1 0 259.353 1.590 40 0 CDABRO Fc1ccccc1Cc1nsc(N2CC[NH2+]CC2)n1 ZINC000117758028 359721276 /nfs/dbraw/zinc/72/12/76/359721276.db2.gz AMRKPZFRRUETGL-UHFFFAOYSA-N 1 0 278.356 1.678 40 0 CDABRO Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000334607968 360015942 /nfs/dbraw/zinc/01/59/42/360015942.db2.gz HLDGJHBYRHVKPL-UHFFFAOYSA-N 1 0 280.393 1.512 40 0 CDABRO C[N@H+](CCNC(=O)c1cccnc1)Cc1ccccc1 ZINC000053349671 364962589 /nfs/dbraw/zinc/96/25/89/364962589.db2.gz QHKNRKNDUZEXKN-UHFFFAOYSA-N 1 0 269.348 1.943 40 0 CDABRO CN1CC[C@H]([N@@H+]2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000075864082 366906211 /nfs/dbraw/zinc/90/62/11/366906211.db2.gz PSLYIYOXMTWNHE-HOTGVXAUSA-N 1 0 288.391 1.756 40 0 CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000026439579 296122355 /nfs/dbraw/zinc/12/23/55/296122355.db2.gz KXJXPBGNJQXIQU-MGPQQGTHSA-N 1 0 269.433 1.421 40 0 CDABRO COc1ccc(CN(C)C(=O)CCC[NH3+])cc1C ZINC000237228441 189869469 /nfs/dbraw/zinc/86/94/69/189869469.db2.gz RTSULPRGPQISGK-UHFFFAOYSA-N 1 0 250.342 1.701 40 0 CDABRO C[NH2+]C[C@]1(O)CCCN(c2ccnc3ccc(C)nc32)C1 ZINC000257242169 374421554 /nfs/dbraw/zinc/42/15/54/374421554.db2.gz IBJLNUXKXWCGDZ-MRXNPFEDSA-N 1 0 286.379 1.489 40 0 CDABRO CC(C)CCC1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000225489828 374496015 /nfs/dbraw/zinc/49/60/15/374496015.db2.gz BPXRFISPDIQYDR-ZIAGYGMSSA-N 1 0 268.401 1.384 40 0 CDABRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000079351807 374795404 /nfs/dbraw/zinc/79/54/04/374795404.db2.gz CATMOQWUUWEMTL-CQSZACIVSA-N 1 0 278.400 1.654 40 0 CDABRO COCC[C@H]1CO[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]12 ZINC000306133009 374970598 /nfs/dbraw/zinc/97/05/98/374970598.db2.gz LYSZPFILNOENJD-KKUMJFAQSA-N 1 0 262.353 1.565 40 0 CDABRO C(OC[C@]12CCCO[C@H]1CC[NH2+]C2)C1CCOCC1 ZINC000306138080 374970817 /nfs/dbraw/zinc/97/08/17/374970817.db2.gz ROMYBDFXILCMTL-LSDHHAIUSA-N 1 0 269.385 1.588 40 0 CDABRO COC(=O)c1ccc2c(c1)CCC[C@@]21COCC[NH2+]1 ZINC000306145571 374971644 /nfs/dbraw/zinc/97/16/44/374971644.db2.gz ITOAKAWGXJFVTE-OAHLLOKOSA-N 1 0 261.321 1.625 40 0 CDABRO O=C1COC2(CC[NH2+]CC2)CN1c1ccsc1 ZINC000306124390 374967775 /nfs/dbraw/zinc/96/77/75/374967775.db2.gz BOKDKQRKPIXYJA-UHFFFAOYSA-N 1 0 252.339 1.234 40 0 CDABRO Cc1cc(NC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)on1 ZINC000132454093 375497872 /nfs/dbraw/zinc/49/78/72/375497872.db2.gz VSDWUIKCKVLGRK-JTQLQIEISA-N 1 0 281.356 1.857 40 0 CDABRO CC(C)Cn1nccc1C[NH2+]CCCN1CCOCC1 ZINC000256052138 190004390 /nfs/dbraw/zinc/00/43/90/190004390.db2.gz MBAQMJABNITNFE-UHFFFAOYSA-N 1 0 280.416 1.351 40 0 CDABRO CC(C)[NH2+]C[C@@H](O)c1ncccc1Br ZINC000217529981 375663758 /nfs/dbraw/zinc/66/37/58/375663758.db2.gz OQBDVHBJOFENCE-SECBINFHSA-N 1 0 259.147 1.876 40 0 CDABRO COc1ccc(OC)c(-c2ccc3nnc(C[NH3+])n3n2)c1 ZINC000217554238 375671215 /nfs/dbraw/zinc/67/12/15/375671215.db2.gz LTTMTWXTTNANDD-UHFFFAOYSA-N 1 0 285.307 1.267 40 0 CDABRO CNc1cc(Nc2nccc([C@H]3CCC[NH2+]C3)n2)ncn1 ZINC000257229116 190016258 /nfs/dbraw/zinc/01/62/58/190016258.db2.gz FWSRUQQHRRBTPN-JTQLQIEISA-N 1 0 285.355 1.519 40 0 CDABRO Cc1ncc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000257235429 190017095 /nfs/dbraw/zinc/01/70/95/190017095.db2.gz GXUWHDXJSCVXTK-CYBMUJFWSA-N 1 0 257.341 1.888 40 0 CDABRO Cc1cc(CC2CC[NH+](CC(=O)N(C)C)CC2)ccn1 ZINC000257259188 190021491 /nfs/dbraw/zinc/02/14/91/190021491.db2.gz KXFWTQVEGUSZGY-UHFFFAOYSA-N 1 0 275.396 1.733 40 0 CDABRO Cc1ncc(C[N@@H+]2CCC[C@@H](Cc3nccnc3N)C2)cn1 ZINC000257308964 190031505 /nfs/dbraw/zinc/03/15/05/190031505.db2.gz TYYCFUYEFUUQBH-ZDUSSCGKSA-N 1 0 298.394 1.612 40 0 CDABRO Cc1ncc(-c2nccnc2C[C@@H]2CC[NH2+]C2)n1C ZINC000257298193 190029505 /nfs/dbraw/zinc/02/95/05/190029505.db2.gz RKOGPHZEKDVVKI-NSHDSACASA-N 1 0 257.341 1.338 40 0 CDABRO CC[NH+]1CCC(N2CCO[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257320062 190033332 /nfs/dbraw/zinc/03/33/32/190033332.db2.gz VVEDNEGSXDWPJI-CQSZACIVSA-N 1 0 278.400 1.576 40 0 CDABRO Cc1cc(Nc2cnccn2)nc([C@H]2CC[NH2+]C2)n1 ZINC000257338142 190036377 /nfs/dbraw/zinc/03/63/77/190036377.db2.gz YWBWBQKMVWFLPQ-JTQLQIEISA-N 1 0 256.313 1.396 40 0 CDABRO CC(C)(O)c1cc(CC2([NH2+]C3CCC3)COC2)no1 ZINC000067897907 377285888 /nfs/dbraw/zinc/28/58/88/377285888.db2.gz XBCVPYJMUZTEBY-UHFFFAOYSA-N 1 0 266.341 1.356 40 0 biogenic,in-vitro CDABRO C[C@H](Oc1c(Cl)cccc1Cl)C(=O)NCC[NH3+] ZINC000019787323 390229066 /nfs/dbraw/zinc/22/90/66/390229066.db2.gz IYGPXILYSHJRMS-ZETCQYMHSA-N 1 0 277.151 1.836 40 0 in-vitro CDABRO C[C@H](Oc1ncc(Br)cn1)[C@@H]1CC[N@H+](C)C1 ZINC000096515818 390532593 /nfs/dbraw/zinc/53/25/93/390532593.db2.gz ZRRRAEIZYIQRST-DTWKUNHWSA-N 1 0 286.173 1.958 40 0 CDABRO CN1C(=O)C(c2cccc(F)c2)=NC12CC[NH2+]CC2 ZINC000096516437 390533868 /nfs/dbraw/zinc/53/38/68/390533868.db2.gz GPLJGHZBXTZDRG-UHFFFAOYSA-N 1 0 261.300 1.167 40 0 CDABRO COc1ccccc1C1=NC2(CC[NH2+]CC2)N(C)C1=O ZINC000096516438 390534753 /nfs/dbraw/zinc/53/47/53/390534753.db2.gz SKFDTYORJJVWCQ-UHFFFAOYSA-N 1 0 273.336 1.036 40 0 CDABRO CCn1nc(C)c(CN(C)C[C@H]2CCC[NH2+]2)c1C ZINC000096523707 390537456 /nfs/dbraw/zinc/53/74/56/390537456.db2.gz BCPFKJUQQXYZDR-CYBMUJFWSA-N 1 0 250.390 1.704 40 0 CDABRO COc1cccc(CN2CC3(CC[NH2+]CC3)OCC2=O)c1 ZINC000096531539 390542003 /nfs/dbraw/zinc/54/20/03/390542003.db2.gz CBXPQGPUTSPGRO-UHFFFAOYSA-N 1 0 290.363 1.176 40 0 CDABRO O=CN1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216255 390621377 /nfs/dbraw/zinc/62/13/77/390621377.db2.gz WAUVBHQNJUSOGU-CQSZACIVSA-N 1 0 275.352 1.602 40 0 CDABRO O=C1CC2(CC[NH2+]CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000096157189 390913319 /nfs/dbraw/zinc/91/33/19/390913319.db2.gz DKZYXLWUEOHEMY-UHFFFAOYSA-N 1 0 276.311 1.454 40 0 CDABRO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000005699859 533324219 /nfs/dbraw/zinc/32/42/19/533324219.db2.gz LLPOLZWFYMWNKH-VVDPLQPHSA-N 1 0 299.370 1.933 40 0 CDABRO Nc1ncc(C[NH2+]CCCOc2ccccn2)cn1 ZINC000062717415 391570366 /nfs/dbraw/zinc/57/03/66/391570366.db2.gz WKCXAGCWRLMTFK-UHFFFAOYSA-N 1 0 259.313 1.013 40 0 CDABRO CN(C)C(=O)NC[C@H]1CO[C@@H]2C[N@@H+](C3CCCC3)C[C@H]12 ZINC000306131977 392106209 /nfs/dbraw/zinc/10/62/09/392106209.db2.gz KUMZTPVPVGKWPZ-IACUBPJLSA-N 1 0 281.400 1.147 40 0 CDABRO CCC[NH+]1CCN(c2ncnc3c(C)nn(CC)c32)CC1 ZINC000057280092 393212139 /nfs/dbraw/zinc/21/21/39/393212139.db2.gz SSUFMOBZTYURTI-UHFFFAOYSA-N 1 0 288.399 1.687 40 0 CDABRO COc1ccc(-c2cc(N3CC[NH2+]CC3)ncn2)cc1 ZINC000082575622 135008737 /nfs/dbraw/zinc/00/87/37/135008737.db2.gz ZBYRVQOZOIKKGO-UHFFFAOYSA-N 1 0 270.336 1.562 40 0 CDABRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000350261859 154357022 /nfs/dbraw/zinc/35/70/22/154357022.db2.gz GHDJMMSFAXTLNT-JKSUJKDBSA-N 1 0 284.359 1.676 40 0 CDABRO COCC[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000004969267 170046996 /nfs/dbraw/zinc/04/69/96/170046996.db2.gz PJBGEEKZGBIYMU-NSHDSACASA-N 1 0 262.353 1.738 40 0 CDABRO [NH3+]CCN1C(=O)S[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000006506142 170208044 /nfs/dbraw/zinc/20/80/44/170208044.db2.gz DLRNJQDBDOVGAL-SNVBAGLBSA-N 1 0 284.768 1.905 40 0 CDABRO CSc1ccc(CNCC[NH2+]C[C@@H](C)O)cc1 ZINC000022074885 171351920 /nfs/dbraw/zinc/35/19/20/171351920.db2.gz IDKDDQCUUGURJD-LLVKDONJSA-N 1 0 254.399 1.469 40 0 CDABRO COc1ccc2ccccc2c1CNCC[NH2+]CCO ZINC000022076119 171352230 /nfs/dbraw/zinc/35/22/30/171352230.db2.gz RZRWQGOSYQJUJR-UHFFFAOYSA-N 1 0 274.364 1.520 40 0 CDABRO CC[C@@H]1[N@H+](CC2CCOCC2)CCC[C@]12CCC(=O)N2 ZINC000096052409 287312730 /nfs/dbraw/zinc/31/27/30/287312730.db2.gz LDHJBXPZPOBIDR-HOCLYGCPSA-N 1 0 280.412 1.936 40 0 CDABRO Cc1nc([C@H]2CCC[N@@H+](C(C)C)C2)ncc1C(N)=O ZINC000072351999 176374552 /nfs/dbraw/zinc/37/45/52/176374552.db2.gz ZSNHDLZLOJIRJO-NSHDSACASA-N 1 0 262.357 1.472 40 0 CDABRO Cc1c[nH]nc1C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000072364255 176379043 /nfs/dbraw/zinc/37/90/43/176379043.db2.gz HLWJUAMVDKIKTD-UHFFFAOYSA-N 1 0 259.357 1.831 40 0 CDABRO O=C(Nc1ccccn1)c1cncc(C2CC[NH2+]CC2)n1 ZINC000072365682 176381129 /nfs/dbraw/zinc/38/11/29/176381129.db2.gz MRXTUYVARCCMJI-UHFFFAOYSA-N 1 0 283.335 1.591 40 0 CDABRO OCC[N@@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377402 176385561 /nfs/dbraw/zinc/38/55/61/176385561.db2.gz CXQAYBQIKAGLAA-LBPRGKRZSA-N 1 0 286.339 1.139 40 0 CDABRO COc1ccc(C(=O)N[C@H](C)C[NH+]2CCCC2)cn1 ZINC000072398506 176396927 /nfs/dbraw/zinc/39/69/27/176396927.db2.gz LKYXUJNQYCQUON-LLVKDONJSA-N 1 0 263.341 1.304 40 0 CDABRO COCCN1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000078663176 177367677 /nfs/dbraw/zinc/36/76/77/177367677.db2.gz PGUOROYSLNVTFH-CYBMUJFWSA-N 1 0 270.323 1.775 40 0 CDABRO Cc1ccc2c(c1)C(=O)NCC1(CC[NH+](C)CC1)O2 ZINC000019219093 274770782 /nfs/dbraw/zinc/77/07/82/274770782.db2.gz MKLQLLZQQKBUAQ-UHFFFAOYSA-N 1 0 260.337 1.582 40 0 CDABRO CCN1[C@H]2CC[NH2+]CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000306127986 276414436 /nfs/dbraw/zinc/41/44/36/276414436.db2.gz GNBQKTDDOITAFA-RYUDHWBXSA-N 1 0 296.392 1.210 40 0 CDABRO CCn1nc(C)c2ncnc(N3CC[NH+](CC)CC3)c21 ZINC000057280094 276722665 /nfs/dbraw/zinc/72/26/65/276722665.db2.gz RVHKEBCCBGDBTO-UHFFFAOYSA-N 1 0 274.372 1.297 40 0 CDABRO CC(C)(C)OC(=O)N1CCO[C@]2(CCCC[C@H]2[NH3+])C1 ZINC000306140503 277190020 /nfs/dbraw/zinc/19/00/20/277190020.db2.gz UVNQOHDCZZUHKK-BXUZGUMPSA-N 1 0 270.373 1.894 40 0 CDABRO CC[NH+](CC)CCCNCC(=O)N1CCCC[C@@H]1C ZINC000026439623 279099588 /nfs/dbraw/zinc/09/95/88/279099588.db2.gz OHFLNMVGCPHDNF-AWEZNQCLSA-N 1 0 269.433 1.709 40 0 CDABRO CCO[C@@H]1C[C@H](NC(=O)C(C)(C)[NH3+])C12CCCCC2 ZINC000236858585 279842548 /nfs/dbraw/zinc/84/25/48/279842548.db2.gz WKSIZXKTGFOYQY-NWDGAFQWSA-N 1 0 268.401 1.968 40 0 CDABRO Cc1cccc(C)c1N1CC[C@@H](C[NH3+])S1(=O)=O ZINC000222540521 281203772 /nfs/dbraw/zinc/20/37/72/281203772.db2.gz HTXHFCCSMZWFQX-NSHDSACASA-N 1 0 254.355 1.171 40 0 CDABRO CCc1cccc(CC)c1N1CC[C@H](C[NH3+])S1(=O)=O ZINC000260766211 328067335 /nfs/dbraw/zinc/06/73/35/328067335.db2.gz JIHHZJTYVFHSQG-CYBMUJFWSA-N 1 0 282.409 1.679 40 0 CDABRO Cc1nccnc1C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000257278053 327131082 /nfs/dbraw/zinc/13/10/82/327131082.db2.gz OAORJUDBMSEYGZ-KBPBESRZSA-N 1 0 261.369 1.878 40 0 CDABRO COCc1nnc(C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000257339943 327137091 /nfs/dbraw/zinc/13/70/91/327137091.db2.gz ZDWHVYTUMSLWRW-QWHCGFSZSA-N 1 0 295.383 1.699 40 0 CDABRO C[NH+](C)[C@@H]1COC[C@H]1Oc1ncccc1Br ZINC000585654000 1160096349 /nfs/dbraw/zinc/09/63/49/1160096349.db2.gz BHZBUVSKYSLXFF-NXEZZACHSA-N 1 0 287.157 1.552 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC001548448191 969430959 /nfs/dbraw/zinc/43/09/59/969430959.db2.gz VIWZOWWZOAMBLT-BIGNPOOSSA-N 1 0 298.333 1.561 40 0 CDABRO CC[NH+](CC)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C)Cc2ccnn21 ZINC000575405398 342451887 /nfs/dbraw/zinc/45/18/87/342451887.db2.gz HQWYXVCGALZHTO-NWANDNLSSA-N 1 0 290.411 1.764 40 0 CDABRO COCCN1CC[C@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1=O ZINC000096054610 185076045 /nfs/dbraw/zinc/07/60/45/185076045.db2.gz CQRSJTKSJPQWRQ-JSGCOSHPSA-N 1 0 294.420 1.675 40 0 CDABRO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096057527 185077511 /nfs/dbraw/zinc/07/75/11/185077511.db2.gz BKKBZFIIRNBXKS-JHJVBQTASA-N 1 0 280.393 1.616 40 0 CDABRO [NH3+]Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000034527565 342089254 /nfs/dbraw/zinc/08/92/54/342089254.db2.gz QSRSXEHFQCQDRK-UHFFFAOYSA-N 1 0 251.293 1.992 40 0 CDABRO Cc1cccc(CN2CCO[C@H]3C[NH2+]CC[C@H]3C2=O)c1 ZINC000096107153 185099657 /nfs/dbraw/zinc/09/96/57/185099657.db2.gz WLWMVPRPOFSUAG-CABCVRRESA-N 1 0 274.364 1.332 40 0 CDABRO C[NH+](C)C[C@]12COC[C@H]1CN(Cc1ccccn1)C2 ZINC000096108245 185099679 /nfs/dbraw/zinc/09/96/79/185099679.db2.gz YCCQBSDSSUMODN-HIFRSBDPSA-N 1 0 261.369 1.092 40 0 CDABRO C[N@@H+]1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC000096107574 185100036 /nfs/dbraw/zinc/10/00/36/185100036.db2.gz FNZNYYRHADTYCN-FZMZJTMJSA-N 1 0 266.316 1.853 40 0 CDABRO C[N@H+]1Cc2cccn2C[C@H](CC(=O)NCC2CC2)C1 ZINC000585099201 342212151 /nfs/dbraw/zinc/21/21/51/342212151.db2.gz UIAICESIJKTZFS-CYBMUJFWSA-N 1 0 261.369 1.466 40 0 CDABRO CC(C)N1C[C@@]2(CCC[N@H+](C[C@@H]3CCCO3)C2)C1=O ZINC000585099570 342212158 /nfs/dbraw/zinc/21/21/58/342212158.db2.gz QMPQJYRSQSHVIS-ZFWWWQNUSA-N 1 0 266.385 1.498 40 0 CDABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)N3CCCC3)C2)C1 ZINC000585103055 342212607 /nfs/dbraw/zinc/21/26/07/342212607.db2.gz ONSQJUZVBCNTRW-CQSZACIVSA-N 1 0 295.427 1.635 40 0 CDABRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccncc2)[C@H](CO)[C@@H]1O ZINC000585295356 342260756 /nfs/dbraw/zinc/26/07/56/342260756.db2.gz WLJLWPLTKPWWIX-KZNAEPCWSA-N 1 0 298.386 1.711 40 0 CDABRO O=C1CC2(CC[NH2+]CC2)[C@@H](c2cccc(F)c2)CN1 ZINC000585263175 342250933 /nfs/dbraw/zinc/25/09/33/342250933.db2.gz PLUMCWIKGGUQOD-CYBMUJFWSA-N 1 0 262.328 1.799 40 0 CDABRO OC[C@]1(Cc2ccccc2)CN(Cc2cncnc2)CCO1 ZINC000585269038 342254387 /nfs/dbraw/zinc/25/43/87/342254387.db2.gz IPDCLUKITZLHLE-KRWDZBQOSA-N 1 0 299.374 1.283 40 0 CDABRO [NH3+]CCC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 ZINC000585269009 342254482 /nfs/dbraw/zinc/25/44/82/342254482.db2.gz HGHFIMMYLOMAJX-KBPBESRZSA-N 1 0 280.343 1.069 40 0 CDABRO CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2OC(C)(C)C[C@@H]2C1 ZINC000585285899 342258691 /nfs/dbraw/zinc/25/86/91/342258691.db2.gz TWQZNKIQGDUSKF-WOPDTQHZSA-N 1 0 254.374 1.530 40 0 CDABRO CN1CC[NH+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585288578 342258920 /nfs/dbraw/zinc/25/89/20/342258920.db2.gz FCOLCCXCCFXTIP-GVDBMIGSSA-N 1 0 290.407 1.595 40 0 CDABRO C(C[NH+]1CCCCC1)N1CCCC[C@H]1C1OCCO1 ZINC000078601978 362067514 /nfs/dbraw/zinc/06/75/14/362067514.db2.gz VLXTYHRCOSVIPM-AWEZNQCLSA-N 1 0 268.401 1.700 40 0 CDABRO CN(C)C(=O)CO[C@@H]1Cn2cccc2C[N@@H+](C2CCC2)C1 ZINC000248053609 362146602 /nfs/dbraw/zinc/14/66/02/362146602.db2.gz XXUGOLJHBWCPDV-OAHLLOKOSA-N 1 0 291.395 1.330 40 0 CDABRO C[NH+](C)CC[C@@H]1CN(Cc2ccoc2)Cc2ccnn21 ZINC000248095649 362149502 /nfs/dbraw/zinc/14/95/02/362149502.db2.gz GOMFSKHKOAFRCH-OAHLLOKOSA-N 1 0 274.368 1.985 40 0 CDABRO CSc1cncc(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000131202162 136389006 /nfs/dbraw/zinc/38/90/06/136389006.db2.gz XFVVRNSEBZWUTK-UHFFFAOYSA-N 1 0 287.392 1.920 40 0 CDABRO CN1C(=O)CCC[C@@H]2CN(Cc3ncc[nH]3)CC[C@H]21 ZINC000257278630 362582610 /nfs/dbraw/zinc/58/26/10/362582610.db2.gz OCZMOQDSRPXFMO-VXGBXAGGSA-N 1 0 262.357 1.243 40 0 CDABRO c1cncc(COC[C@@]23CCCO[C@@H]2CC[NH2+]C3)c1 ZINC000306128198 201840386 /nfs/dbraw/zinc/84/03/86/201840386.db2.gz GUACBXGGQZSQLF-CABCVRRESA-N 1 0 262.353 1.757 40 0 CDABRO Fc1ccc(C[NH2+]C[C@@H]2Cn3nncc3CO2)cc1 ZINC000096060996 282979404 /nfs/dbraw/zinc/97/94/04/282979404.db2.gz OPKAOEJOPAPVTL-CYBMUJFWSA-N 1 0 262.288 1.106 40 0 CDABRO COC(=O)[C@@H]1C[C@H](O)CN1CCOc1ccc(Cl)cc1 ZINC000158635812 188386367 /nfs/dbraw/zinc/38/63/67/188386367.db2.gz DQRURFGXZHKXDM-AAEUAGOBSA-N 1 0 299.754 1.327 40 0 CDABRO C[NH+](C)CCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000003069664 355993217 /nfs/dbraw/zinc/99/32/17/355993217.db2.gz UOKFKTZIWDCYRF-GQCTYLIASA-N 1 0 262.309 1.106 40 0 CDABRO C1=CC[C@@H]2C[N@@H+](CCCN3CCOCC3)C[C@@H]2C1 ZINC000001682896 355947338 /nfs/dbraw/zinc/94/73/38/355947338.db2.gz QPZDDNOFYNQODF-GASCZTMLSA-N 1 0 250.386 1.607 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000037799468 356865725 /nfs/dbraw/zinc/86/57/25/356865725.db2.gz UATCDRGRJGVPPR-AWEZNQCLSA-N 1 0 278.352 1.400 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000079409594 356991915 /nfs/dbraw/zinc/99/19/15/356991915.db2.gz BLOADHCXNPSCBN-RYUDHWBXSA-N 1 0 299.415 1.582 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000079409491 356991950 /nfs/dbraw/zinc/99/19/50/356991950.db2.gz OFDLHNSVBBGJRF-QWRGUYRKSA-N 1 0 285.388 1.239 40 0 CDABRO CCN(C(=O)OCc1ccccc1)[C@@H]1CC[N@H+](CCO)C1 ZINC000079411012 356994209 /nfs/dbraw/zinc/99/42/09/356994209.db2.gz KRNZIZUIDWCTMY-OAHLLOKOSA-N 1 0 292.379 1.712 40 0 CDABRO C[C@H]1CN(C(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000067799780 357628610 /nfs/dbraw/zinc/62/86/10/357628610.db2.gz HXZLEGAJVQBZKA-VIFPVBQESA-N 1 0 283.169 1.883 40 0 CDABRO CCOc1ccccc1OCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000060411203 357664996 /nfs/dbraw/zinc/66/49/96/357664996.db2.gz UGQXXJQKZNJKFQ-CYBMUJFWSA-N 1 0 292.379 1.675 40 0 CDABRO C[NH+]1CCC(c2nccnc2N2CCC(O)CC2)CC1 ZINC000072386680 357832089 /nfs/dbraw/zinc/83/20/89/357832089.db2.gz UWOISIGXJSVHEO-UHFFFAOYSA-N 1 0 276.384 1.247 40 0 CDABRO CC[C@H](c1nnnn1CCC(C)C)N1CC[NH+](CC)CC1 ZINC000019500635 358097203 /nfs/dbraw/zinc/09/72/03/358097203.db2.gz PGSZBXKXPCNXDP-CQSZACIVSA-N 1 0 294.447 1.808 40 0 CDABRO Cc1nn(C)cc1[C@@H](C)Nc1ncnc(N)c1Cl ZINC000192302298 358187630 /nfs/dbraw/zinc/18/76/30/358187630.db2.gz SFJLXWIRXSLDGF-ZCFIWIBFSA-N 1 0 266.736 1.927 40 0 CDABRO c1nc2c(c(N3CCCC3)n1)CC[N@H+](CC1CC1)CC2 ZINC000096058729 358707582 /nfs/dbraw/zinc/70/75/82/358707582.db2.gz YHJQOGPYMIGFOP-UHFFFAOYSA-N 1 0 272.396 1.887 40 0 CDABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096158716 358710000 /nfs/dbraw/zinc/71/00/00/358710000.db2.gz JFOQNNVKNAYXMF-AWEZNQCLSA-N 1 0 279.384 1.580 40 0 CDABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2C[C@H]2CCOC2)N1c1ccsc1 ZINC000096184151 358712753 /nfs/dbraw/zinc/71/27/53/358712753.db2.gz YTPHLRILXYOMSB-BNOWGMLFSA-N 1 0 292.404 1.964 40 0 CDABRO CCO[C@@H]1C[C@H]2CN(C(=O)c3ccncc3)CC[N@@H+]2C1 ZINC000096183151 358713216 /nfs/dbraw/zinc/71/32/16/358713216.db2.gz CNTMVCKNQBYPGK-UONOGXRCSA-N 1 0 275.352 1.017 40 0 CDABRO CC(C)C[N@@H+]1CCc2n[nH]c(C(=O)N3CCCC3)c2C1 ZINC000096187390 358715027 /nfs/dbraw/zinc/71/50/27/358715027.db2.gz NPNRMECJTPKGAH-UHFFFAOYSA-N 1 0 276.384 1.660 40 0 CDABRO Cc1cc(C[NH2+]C[C@H]2Cn3nnc(C)c3CO2)oc1C ZINC000096199166 358717579 /nfs/dbraw/zinc/71/75/79/358717579.db2.gz VELXINFBMLFLHW-ZDUSSCGKSA-N 1 0 276.340 1.485 40 0 CDABRO COCCN1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1=O ZINC000096201885 358718774 /nfs/dbraw/zinc/71/87/74/358718774.db2.gz XVUNRPUDLCNXNV-GOEBONIOSA-N 1 0 274.364 1.239 40 0 CDABRO Cc1ccnc(C(=O)N2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)c1 ZINC000096207730 358720573 /nfs/dbraw/zinc/72/05/73/358720573.db2.gz ICIVJKFBSKDSMZ-CJNGLKHVSA-N 1 0 289.379 1.040 40 0 CDABRO Fc1cccnc1OC[C@@H]1C[NH2+]Cc2cncn2C1 ZINC000096217691 358722069 /nfs/dbraw/zinc/72/20/69/358722069.db2.gz DJNFIHVQPVUDCW-SNVBAGLBSA-N 1 0 262.288 1.216 40 0 CDABRO CC(C)C[N@@H+]1CCO[C@H]2CCN(c3cnccn3)CC[C@@H]21 ZINC000096249250 358726543 /nfs/dbraw/zinc/72/65/43/358726543.db2.gz VDSPLGZYEDORDQ-GJZGRUSLSA-N 1 0 290.411 1.802 40 0 CDABRO COC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000075838895 366892637 /nfs/dbraw/zinc/89/26/37/366892637.db2.gz OOBDHEYVBWJEML-HOTGVXAUSA-N 1 0 278.396 1.897 40 0 CDABRO CN1CC[C@H]([N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)C1=O ZINC000076075187 366969331 /nfs/dbraw/zinc/96/93/31/366969331.db2.gz NISBGRIODMBHNH-PMPSAXMXSA-N 1 0 288.391 1.805 40 0 CDABRO [NH3+][C@H]1COC[C@H]1Oc1ccc(Br)cc1 ZINC000117371581 367294272 /nfs/dbraw/zinc/29/42/72/367294272.db2.gz GRTOEAAOPRPWSN-VHSXEESVSA-N 1 0 258.115 1.554 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079409149 284193110 /nfs/dbraw/zinc/19/31/10/284193110.db2.gz YBNKGLNUNYOZAN-LLVKDONJSA-N 1 0 285.388 1.193 40 0 CDABRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H](C)[C@H]1CO ZINC000225513342 374628004 /nfs/dbraw/zinc/62/80/04/374628004.db2.gz JLLDCPOUFIYUEK-RBSFLKMASA-N 1 0 297.443 1.663 40 0 CDABRO O=C(c1ccccc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000225626822 375173764 /nfs/dbraw/zinc/17/37/64/375173764.db2.gz ODLAEIAPODOAPQ-HNNXBMFYSA-N 1 0 274.364 1.358 40 0 CDABRO COc1ccc(Nc2cc(C)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000217505014 375661141 /nfs/dbraw/zinc/66/11/41/375661141.db2.gz ZHHVDRBPYJIZLP-UHFFFAOYSA-N 1 0 299.378 1.947 40 0 CDABRO CCn1ncc(CNCCC[NH+](CC)CC)c1F ZINC000256055091 190005700 /nfs/dbraw/zinc/00/57/00/190005700.db2.gz ZDDRKSYHUOIAEF-UHFFFAOYSA-N 1 0 256.369 1.864 40 0 CDABRO Cc1c[nH]c([C@H]2CCC[N@@H+]2CC2(O)CCOCC2)n1 ZINC000257206843 190011760 /nfs/dbraw/zinc/01/17/60/190011760.db2.gz BFCIANYOSLSYDU-GFCCVEGCSA-N 1 0 265.357 1.397 40 0 CDABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2c[nH]cn2)n1 ZINC000257222316 190014977 /nfs/dbraw/zinc/01/49/77/190014977.db2.gz DSVCLWFJZZECCD-CQSZACIVSA-N 1 0 286.383 1.598 40 0 CDABRO NC(=O)C[N@H+]1C[C@@H]2[C@@H](Cc3ccccc3)CC[C@@H]2C1 ZINC000257248924 190020058 /nfs/dbraw/zinc/02/00/58/190020058.db2.gz JFUXVSSSVOOBGY-RBSFLKMASA-N 1 0 258.365 1.672 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2ccccc2F)C1 ZINC000257248521 190020411 /nfs/dbraw/zinc/02/04/11/190020411.db2.gz JEAJLCCBLPZDEH-MRXNPFEDSA-N 1 0 294.370 1.283 40 0 CDABRO CN(C)C(=O)[C@@H]1CN(C)CC[N@H+](CCc2ccccc2)C1 ZINC000257294921 190028160 /nfs/dbraw/zinc/02/81/60/190028160.db2.gz QWHGARRKAPEOPA-MRXNPFEDSA-N 1 0 289.423 1.181 40 0 CDABRO Cn1nccc1-c1cnc(C2CC[NH+](C)CC2)cn1 ZINC000257293923 190028360 /nfs/dbraw/zinc/02/83/60/190028360.db2.gz QRSNKNMAKKBFNU-UHFFFAOYSA-N 1 0 257.341 1.686 40 0 CDABRO Cc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)cn1 ZINC000257304452 190030303 /nfs/dbraw/zinc/03/03/03/190030303.db2.gz SLRTZIGZACNRLO-RBSFLKMASA-N 1 0 289.379 1.108 40 0 CDABRO CNC(=O)c1cccc([C@@H]2C[N@H+](CC3CC3)CCN2C)c1 ZINC000257314545 190032374 /nfs/dbraw/zinc/03/23/74/190032374.db2.gz UXLAUYFIIHVWLB-INIZCTEOSA-N 1 0 287.407 1.745 40 0 CDABRO Cn1ccnc1-c1cncc(C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000257327363 190035084 /nfs/dbraw/zinc/03/50/84/190035084.db2.gz XBBQSLIVNHRFPG-LBPRGKRZSA-N 1 0 271.368 1.761 40 0 CDABRO COCc1cc(CC2([NH2+]CC(C)(C)C)COC2)no1 ZINC000067897985 377285818 /nfs/dbraw/zinc/28/58/18/377285818.db2.gz OJUHTJFYFXNFFK-UHFFFAOYSA-N 1 0 268.357 1.768 40 0 biogenic,in-vitro CDABRO CN1C(=O)CO[C@H]2C[N@@H+](CCCc3ccccc3)C[C@H]21 ZINC000067897248 377286346 /nfs/dbraw/zinc/28/63/46/377286346.db2.gz JANVOAYGGQUHEK-CABCVRRESA-N 1 0 274.364 1.161 40 0 biogenic,in-vitro CDABRO CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040464522 378096823 /nfs/dbraw/zinc/09/68/23/378096823.db2.gz MWIJYLQQAVEHNB-CYBMUJFWSA-N 1 0 278.352 1.747 40 0 CDABRO Cc1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)s1 ZINC000096201325 256821498 /nfs/dbraw/zinc/82/14/98/256821498.db2.gz YSNMYSADGBNZSI-UHFFFAOYSA-N 1 0 280.393 1.538 40 0 CDABRO [NH3+][C@H]1CCN(c2cc(C(F)(F)F)nc(C3CC3)n2)C1 ZINC000096516993 390532043 /nfs/dbraw/zinc/53/20/43/390532043.db2.gz AVNZXPBIYJTCFV-QMMMGPOBSA-N 1 0 272.274 1.910 40 0 CDABRO O=C1COC2(CC[NH2+]CC2)CN1CCc1ccccc1 ZINC000096531516 390541653 /nfs/dbraw/zinc/54/16/53/390541653.db2.gz LTVSEFWURBHXEO-UHFFFAOYSA-N 1 0 274.364 1.210 40 0 CDABRO COc1ccc(CN2CC3(CC[NH2+]CC3)OCC2=O)cc1 ZINC000096531524 390541887 /nfs/dbraw/zinc/54/18/87/390541887.db2.gz LPALDMPPMGIYAC-UHFFFAOYSA-N 1 0 290.363 1.176 40 0 CDABRO O[C@@H](c1ccccc1)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225510 390623084 /nfs/dbraw/zinc/62/30/84/390623084.db2.gz YFTDANIQARHXHI-INIZCTEOSA-N 1 0 269.348 1.573 40 0 CDABRO COC[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc(C)cc1 ZINC000242548278 390862341 /nfs/dbraw/zinc/86/23/41/390862341.db2.gz LHCVXGXKSRWKQN-MGPQQGTHSA-N 1 0 283.393 1.097 40 0 CDABRO CN1CC2(CC[NH+](C)CC2)[C@@H](C(F)(F)F)CC1=O ZINC000096087627 390912718 /nfs/dbraw/zinc/91/27/18/390912718.db2.gz YIFKZVNHDALZTR-VIFPVBQESA-N 1 0 264.291 1.739 40 0 CDABRO CC(C)C(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@@H]2O)[NH2+]1 ZINC000257315673 391649977 /nfs/dbraw/zinc/64/99/77/391649977.db2.gz VCJHALLUMPFDRD-GUIRCDHDSA-N 1 0 268.401 1.430 40 0 CDABRO CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@]2(C[NH3+])COC)cc1 ZINC000252514974 392796816 /nfs/dbraw/zinc/79/68/16/392796816.db2.gz FOVIHOKEFKTLNW-QLFBSQMISA-N 1 0 297.420 1.351 40 0 CDABRO Fc1ccccc1C[NH2+]C[C@H]1Cn2ccnc2CO1 ZINC000096296268 393174628 /nfs/dbraw/zinc/17/46/28/393174628.db2.gz ONDHHCFKWREEHX-LBPRGKRZSA-N 1 0 261.300 1.711 40 0 biogenic,in-vitro CDABRO Cc1cc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)n(C)n1 ZINC000096076139 398070267 /nfs/dbraw/zinc/07/02/67/398070267.db2.gz PQECDKOXLBPWBW-INIZCTEOSA-N 1 0 298.394 1.373 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1CCCC[C@@H](SC)C1 ZINC000157801104 286672414 /nfs/dbraw/zinc/67/24/14/286672414.db2.gz AGKDUBIYKWAHFW-MNOVXSKESA-N 1 0 276.471 1.811 40 0 CDABRO CN(C)CC[NH2+]CC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000022587062 171393058 /nfs/dbraw/zinc/39/30/58/171393058.db2.gz DIHCJCFCGAWNMT-WOSRLPQWSA-N 1 0 281.444 1.469 40 0 CDABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)C(C)C)CC1 ZINC000035291296 172105915 /nfs/dbraw/zinc/10/59/15/172105915.db2.gz SBOJCEIKQOTPQV-CYBMUJFWSA-N 1 0 294.447 1.763 40 0 CDABRO COc1cccc([C@@H](C[NH3+])N2CCCC2)c1OC ZINC000038827571 174156212 /nfs/dbraw/zinc/15/62/12/174156212.db2.gz DEKGLUSDYOVFGR-GFCCVEGCSA-N 1 0 250.342 1.799 40 0 CDABRO C[C@@H](CO)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043325470 175007081 /nfs/dbraw/zinc/00/70/81/175007081.db2.gz HYLJHRPCOVNZQQ-QWRGUYRKSA-N 1 0 258.362 1.356 40 0 CDABRO CCn1nc(C)c2ncnc(NCC[NH+](CC)CC)c21 ZINC000057280114 175590697 /nfs/dbraw/zinc/59/06/97/175590697.db2.gz MPGPHINDDUBMHD-UHFFFAOYSA-N 1 0 276.388 1.908 40 0 CDABRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)ccc1F ZINC000071412729 176157727 /nfs/dbraw/zinc/15/77/27/176157727.db2.gz LQMWYKAFDDITCZ-PRHODGIISA-N 1 0 254.280 1.693 40 0 CDABRO Cc1cc(C(C)(C)C)c(O)c(C)c1CC(=O)NCC[NH3+] ZINC000072188061 176335948 /nfs/dbraw/zinc/33/59/48/176335948.db2.gz OXWQEZCQDVNSNG-UHFFFAOYSA-N 1 0 278.396 1.924 40 0 in-vitro CDABRO CC(C)(C)OC(=O)N1CCC([C@@](C)(O)C[NH3+])CC1 ZINC000072208107 176342766 /nfs/dbraw/zinc/34/27/66/176342766.db2.gz KSSIXVLMGLOOCU-ZDUSSCGKSA-N 1 0 258.362 1.343 40 0 CDABRO CCn1ccc(C(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000072265404 176352250 /nfs/dbraw/zinc/35/22/50/176352250.db2.gz MUOAOZSZRHNFSB-UHFFFAOYSA-N 1 0 264.373 1.507 40 0 CDABRO Cc1nccn1CCNc1cnc(C2CC[NH2+]CC2)cn1 ZINC000072365339 176380504 /nfs/dbraw/zinc/38/05/04/176380504.db2.gz RCQLQSCMPIEZCC-UHFFFAOYSA-N 1 0 286.383 1.561 40 0 CDABRO OCC[N@@H+]1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369815 176384195 /nfs/dbraw/zinc/38/41/95/176384195.db2.gz WNRPKNWHGLWFGV-GFCCVEGCSA-N 1 0 259.309 1.518 40 0 CDABRO Cc1nc([C@H]2CCC[N@H+](C)C2)ncc1C(=O)N(C)C ZINC000072370068 176384373 /nfs/dbraw/zinc/38/43/73/176384373.db2.gz SMKVSZIJBJFFBH-NSHDSACASA-N 1 0 262.357 1.296 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@@](O)(c3nccn3C)CC2)cn1 ZINC000072369581 176384397 /nfs/dbraw/zinc/38/43/97/176384397.db2.gz VYLINYIPDKVRLX-HNNXBMFYSA-N 1 0 289.383 1.027 40 0 CDABRO COCCC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392311 176394604 /nfs/dbraw/zinc/39/46/04/176394604.db2.gz JJJABFJZIWBVHI-UHFFFAOYSA-N 1 0 297.362 1.917 40 0 CDABRO OC[C@H]1CCC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000072397800 176395613 /nfs/dbraw/zinc/39/56/13/176395613.db2.gz NVYCAEJWPWCUKR-ZDUSSCGKSA-N 1 0 257.337 1.834 40 0 CDABRO C[NH+](C)CCNC(=O)c1ccn(-c2ccc3ccccn32)n1 ZINC000096155303 260563338 /nfs/dbraw/zinc/56/33/38/260563338.db2.gz WMYMBZUKBGOXCO-UHFFFAOYSA-N 1 0 297.362 1.416 40 0 CDABRO CNC(=O)N[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC000096241795 265345919 /nfs/dbraw/zinc/34/59/19/265345919.db2.gz AGJBLCRSFRUIJG-CQSZACIVSA-N 1 0 273.380 1.990 40 0 CDABRO CC(C)(CO)[NH2+]C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000009970752 275861551 /nfs/dbraw/zinc/86/15/51/275861551.db2.gz CZMBKTXEGFQCGG-WBOJAVRRSA-N 1 0 299.455 1.939 40 0 CDABRO CC1(C)CC(n2cc3[nH]c(N)ncc-3c2=O)CC(C)(C)[NH2+]1 ZINC000041123033 276100341 /nfs/dbraw/zinc/10/03/41/276100341.db2.gz JCAONGXARSXCTJ-UHFFFAOYSA-N 1 0 289.383 1.324 40 0 CDABRO CCCS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000033286826 276268154 /nfs/dbraw/zinc/26/81/54/276268154.db2.gz CYXYNMSOFRFXOP-ZNMIVQPWSA-N 1 0 298.452 1.556 40 0 CDABRO CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCC[NH2+]C2)n1 ZINC000257197862 276897321 /nfs/dbraw/zinc/89/73/21/276897321.db2.gz LJIZTXJSWYWHGR-NSHDSACASA-N 1 0 286.383 1.410 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CCS[C@H]2C1 ZINC000110915698 277193515 /nfs/dbraw/zinc/19/35/15/277193515.db2.gz NHMOWLFHCDJJHH-ZJUUUORDSA-N 1 0 258.387 1.701 40 0 CDABRO CNc1ncccc1C[N@@H+]1C[C@H](OC)[C@]2(CCCO2)C1 ZINC000257304835 277306024 /nfs/dbraw/zinc/30/60/24/277306024.db2.gz SNJCZLMIIACHDE-ZFWWWQNUSA-N 1 0 277.368 1.503 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079409375 278377348 /nfs/dbraw/zinc/37/73/48/278377348.db2.gz ZFMKLEUZAQGQSH-LBPRGKRZSA-N 1 0 297.399 1.336 40 0 CDABRO CCN(C[C@H]1CCCN(C(=O)C[NH3+])C1)C(=O)OC(C)(C)C ZINC000079409187 279230174 /nfs/dbraw/zinc/23/01/74/279230174.db2.gz SMOIGOVICNSBOJ-GFCCVEGCSA-N 1 0 299.415 1.441 40 0 CDABRO OC[C@H]1C[NH2+]C[C@H]1c1cc(Br)cs1 ZINC000307066995 482442287 /nfs/dbraw/zinc/44/22/87/482442287.db2.gz VADDMJYXMJRJTH-HTRCEHHLSA-N 1 0 262.172 1.806 40 0 CDABRO CCN(C)c1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228934375 570372923 /nfs/dbraw/zinc/37/29/23/570372923.db2.gz RFBHUEGYRFCPDO-UHFFFAOYSA-N 1 0 260.345 1.207 40 0 CDABRO O=CNC(=O)c1cc2c([n+](=O)c3ccccc31)CC=CC2 ZINC001570003240 1170057673 /nfs/dbraw/zinc/05/76/73/1170057673.db2.gz QITRELNQOLPBMM-UHFFFAOYSA-N 1 0 280.283 1.825 40 0 CDABRO O[C@@H]1[C@@H]([NH+]2CCCC2)CCC[C@@]12CC=CCOC2 ZINC000247759742 1181065439 /nfs/dbraw/zinc/06/54/39/1181065439.db2.gz ZZSCFGVXOCIQQJ-RRFJBIMHSA-N 1 0 251.370 1.959 40 0 CDABRO Cc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)sn1 ZINC000876746365 795450086 /nfs/dbraw/zinc/45/00/86/795450086.db2.gz KQASXILGOZRWJD-UHFFFAOYSA-N 1 0 265.382 1.554 40 0 CDABRO Nc1ncc(CNCc2nc3ccccc3[nH]2)cn1 ZINC000062718385 342491707 /nfs/dbraw/zinc/49/17/07/342491707.db2.gz YDPSMFUUSFOSIG-UHFFFAOYSA-N 1 0 254.297 1.225 40 0 CDABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096047495 185073219 /nfs/dbraw/zinc/07/32/19/185073219.db2.gz UFVTZYFUKDRUAI-INIZCTEOSA-N 1 0 290.411 1.787 40 0 CDABRO O=C(c1ccco1)N1CC[N@@H+]2C[C@@H](OCC3CC3)C[C@@H]2C1 ZINC000096054999 185075748 /nfs/dbraw/zinc/07/57/48/185075748.db2.gz IAXBEFAQFSYVPF-KGLIPLIRSA-N 1 0 290.363 1.605 40 0 CDABRO C[C@@H]1C(=O)NC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000096066497 185084413 /nfs/dbraw/zinc/08/44/13/185084413.db2.gz HYUPVXCEZXOOTE-DRZSPHRISA-N 1 0 288.347 1.229 40 0 CDABRO COCC[C@H]1COC2(C1)CC[NH+](Cc1nccn1C)CC2 ZINC000096072973 185088471 /nfs/dbraw/zinc/08/84/71/185088471.db2.gz YSUQNJFHMBRSAM-CQSZACIVSA-N 1 0 293.411 1.828 40 0 CDABRO Fc1cccnc1NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC000096078450 185089790 /nfs/dbraw/zinc/08/97/90/185089790.db2.gz CMUFNKVQSPIEAB-SMDDNHRTSA-N 1 0 281.331 1.028 40 0 CDABRO CC[N@@H+]1CC[C@]12CCN(Cc1cccnc1OC)C2 ZINC000096075920 185089950 /nfs/dbraw/zinc/08/99/50/185089950.db2.gz JEKKBKOATBSJAI-HNNXBMFYSA-N 1 0 261.369 1.760 40 0 CDABRO NC(=[NH2+])[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000228965812 539088568 /nfs/dbraw/zinc/08/85/68/539088568.db2.gz XUFCEFKLEXKDDE-LLVKDONJSA-N 1 0 253.733 1.649 40 0 CDABRO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N(C)C)C1 ZINC000585109470 342213474 /nfs/dbraw/zinc/21/34/74/342213474.db2.gz RUFNPUIWEFFVTG-KFWWJZLASA-N 1 0 282.428 1.848 40 0 CDABRO CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1)C2 ZINC000585103434 342212704 /nfs/dbraw/zinc/21/27/04/342212704.db2.gz CFNXTBANYRJVDD-MRXNPFEDSA-N 1 0 292.354 1.506 40 0 CDABRO OCC[N@@H+]1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585269209 342255073 /nfs/dbraw/zinc/25/50/73/342255073.db2.gz LRUMYEFUZJGCOO-KBPBESRZSA-N 1 0 269.772 1.700 40 0 CDABRO CN(Cc1ccco1)Cc1cncc2c1CC[NH2+]C2 ZINC000104964110 186035946 /nfs/dbraw/zinc/03/59/46/186035946.db2.gz HALLHIOFQBPPHE-UHFFFAOYSA-N 1 0 257.337 1.952 40 0 CDABRO Cc1csc(C[N@@H+]2CCC[C@]3(CCNC3=O)CC2)n1 ZINC000108525625 186221350 /nfs/dbraw/zinc/22/13/50/186221350.db2.gz QDMHAJPFWOMLBX-AWEZNQCLSA-N 1 0 279.409 1.944 40 0 CDABRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3C)C[C@@H]21 ZINC000108533849 186221776 /nfs/dbraw/zinc/22/17/76/186221776.db2.gz WFSOCSAIGFEWEP-IRXDYDNUSA-N 1 0 288.391 1.817 40 0 CDABRO COCCC[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001672758 355946117 /nfs/dbraw/zinc/94/61/17/355946117.db2.gz HHXTUMSQVJOCNA-UHFFFAOYSA-N 1 0 252.314 1.052 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391217 356987896 /nfs/dbraw/zinc/98/78/96/356987896.db2.gz YISXUHPECHODOD-WDEREUQCSA-N 1 0 285.388 1.049 40 0 CDABRO CN(C(=O)OCc1ccccc1)[C@@H]1CC[N@H+](CCO)C1 ZINC000079410921 356994155 /nfs/dbraw/zinc/99/41/55/356994155.db2.gz LCNXOURDJOISIN-CQSZACIVSA-N 1 0 278.352 1.322 40 0 CDABRO COc1cc2c(c(Br)c1O)[C@@H](O)C[NH2+]C2 ZINC000095470480 358694009 /nfs/dbraw/zinc/69/40/09/358694009.db2.gz QAJUGFUQLZDZBN-LURJTMIESA-N 1 0 274.114 1.300 40 0 CDABRO c1cnc(N2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)nc1 ZINC000096053748 358707236 /nfs/dbraw/zinc/70/72/36/358707236.db2.gz PJCHVWHHISTKCQ-HUUCEWRRSA-N 1 0 281.363 1.440 40 0 CDABRO CN(C)C[C@@H]1C[C@@H]2CN(Cc3nccs3)CC[C@@H]2[N@@H+]1C ZINC000096185548 358713571 /nfs/dbraw/zinc/71/35/71/358713571.db2.gz HXWXEALJLMONTB-RDBSUJKOSA-N 1 0 294.468 1.599 40 0 CDABRO COC[C@H]1Cn2ccnc2CN(Cc2csc(C)n2)C1 ZINC000096187744 358715484 /nfs/dbraw/zinc/71/54/84/358715484.db2.gz WSSHIVCKQIQNQF-GFCCVEGCSA-N 1 0 292.408 1.926 40 0 CDABRO COc1ncccc1CN1CC[C@@H]2C[N@H+](C)CCO[C@@H]2C1 ZINC000096249551 358726183 /nfs/dbraw/zinc/72/61/83/358726183.db2.gz XXZNHVDHLQGCLA-UKRRQHHQSA-N 1 0 291.395 1.243 40 0 CDABRO COCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc(C)o1 ZINC000096248810 358726884 /nfs/dbraw/zinc/72/68/84/358726884.db2.gz OVAHZBLSSFGDNO-CABCVRRESA-N 1 0 280.368 1.119 40 0 CDABRO O=C1COC2(CC[NH2+]CC2)CN1Cc1cccc(F)c1 ZINC000096268843 358730455 /nfs/dbraw/zinc/73/04/55/358730455.db2.gz FFIHBYOUCJMQFO-UHFFFAOYSA-N 1 0 278.327 1.307 40 0 CDABRO O=C(NC1CCCCCC1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000096268200 358730807 /nfs/dbraw/zinc/73/08/07/358730807.db2.gz LDDMJEFLNBBQAM-OAHLLOKOSA-N 1 0 279.384 1.724 40 0 CDABRO O=C(c1ccccc1)N1CCC2(CC1)C[NH2+]CCO2 ZINC000096268251 358730993 /nfs/dbraw/zinc/73/09/93/358730993.db2.gz FJWMHZZARCLUCV-UHFFFAOYSA-N 1 0 260.337 1.281 40 0 CDABRO O=S(=O)(C1CC1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC000096268940 358731662 /nfs/dbraw/zinc/73/16/62/358731662.db2.gz LWAUJUOIWZDCPO-UONOGXRCSA-N 1 0 278.377 1.050 40 0 CDABRO C[C@H](Nc1ncnc2c1NC(=O)CN2)c1ccccn1 ZINC000041121386 359684146 /nfs/dbraw/zinc/68/41/46/359684146.db2.gz NVDSTNLGEFBQJX-QMMMGPOBSA-N 1 0 270.296 1.409 40 0 CDABRO Cc1cccc2c1ncnc2N1CC[NH+](CCO)CC1 ZINC000301686439 364327779 /nfs/dbraw/zinc/32/77/79/364327779.db2.gz USPLUEPKOCLHIC-UHFFFAOYSA-N 1 0 272.352 1.053 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@@]1(C[NH3+])COC ZINC000218417543 367924334 /nfs/dbraw/zinc/92/43/34/367924334.db2.gz JYQUWIOREHRYDE-SOUVJXGZSA-N 1 0 297.420 1.487 40 0 CDABRO CCN(C(=O)OC(C)(C)C)C1CCN(CC[NH3+])CC1 ZINC000079408453 284193372 /nfs/dbraw/zinc/19/33/72/284193372.db2.gz LIFVJEOLAZIFNY-UHFFFAOYSA-N 1 0 271.405 1.667 40 0 CDABRO O=C(Nc1nc2c(s1)C[NH2+]CC2)NC1CCCC1 ZINC000075172843 284419660 /nfs/dbraw/zinc/41/96/60/284419660.db2.gz ZVVVOGKADKPYNX-UHFFFAOYSA-N 1 0 266.370 1.853 40 0 CDABRO Cc1ccc(OC[C@@H](O)CN2CCC[NH2+]CC2)cc1 ZINC000064875917 374241245 /nfs/dbraw/zinc/24/12/45/374241245.db2.gz AOPATLMJOOCVIE-AWEZNQCLSA-N 1 0 264.369 1.030 40 0 CDABRO CCOc1cc(N2CCC(C[NH3+])CC2)nc(SC)n1 ZINC000079439781 374405358 /nfs/dbraw/zinc/40/53/58/374405358.db2.gz WQZLBZUBLAULPS-UHFFFAOYSA-N 1 0 282.413 1.772 40 0 CDABRO COc1cc(N2CCC(C[NH3+])CC2)nc(SC)n1 ZINC000079439919 374405684 /nfs/dbraw/zinc/40/56/84/374405684.db2.gz QHYVZFDODXOGKX-UHFFFAOYSA-N 1 0 268.386 1.382 40 0 CDABRO CCN(CC)c1cc(N2CCC(C[NH3+])CC2)ncn1 ZINC000079440232 374407175 /nfs/dbraw/zinc/40/71/75/374407175.db2.gz ZTMQLZRWSKPTED-UHFFFAOYSA-N 1 0 263.389 1.498 40 0 CDABRO CCN(CC)Cc1nc(C2(O)CC[NH+](C)CC2)cs1 ZINC000225462964 374464927 /nfs/dbraw/zinc/46/49/27/374464927.db2.gz RQZOUXPAAFRHOM-UHFFFAOYSA-N 1 0 283.441 1.898 40 0 biogenic,in-vitro CDABRO Cn1cnc2c1[C@@H](COCc1cccnc1)[NH2+]CC2 ZINC000306131775 374970569 /nfs/dbraw/zinc/97/05/69/374970569.db2.gz KPJBMFXKTCPSQB-CYBMUJFWSA-N 1 0 258.325 1.219 40 0 CDABRO CCCC[NH+]1CCC2(C[C@H](CNC(=O)N(C)C)O2)CC1 ZINC000306130948 374967369 /nfs/dbraw/zinc/96/73/69/374967369.db2.gz JTDAQDPMBZVURG-CYBMUJFWSA-N 1 0 283.416 1.681 40 0 CDABRO O=C(C[C@@H]1COC2(C1)CC[NH2+]CC2)N1CCCC1 ZINC000306125926 374967761 /nfs/dbraw/zinc/96/77/61/374967761.db2.gz DFSJYMNCIKXZER-LBPRGKRZSA-N 1 0 252.358 1.158 40 0 CDABRO COCC(=O)N1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000132171330 375406615 /nfs/dbraw/zinc/40/66/15/375406615.db2.gz XRBUKSRLEGEFCN-HNNXBMFYSA-N 1 0 290.407 1.656 40 0 CDABRO CC[C@@H](C)n1nccc1C[NH2+]CCN1CCOCC1 ZINC000256052984 190004369 /nfs/dbraw/zinc/00/43/69/190004369.db2.gz PNVBDRUTPNMOMM-CYBMUJFWSA-N 1 0 266.389 1.276 40 0 CDABRO Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000256054866 190005567 /nfs/dbraw/zinc/00/55/67/190005567.db2.gz YCVNVVRNZCYPQX-VIFPVBQESA-N 1 0 263.263 1.708 40 0 CDABRO CCCn1nccc1-c1cnc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000257204962 190011861 /nfs/dbraw/zinc/01/18/61/190011861.db2.gz AXBFCUYRJSDLAW-LBPRGKRZSA-N 1 0 271.368 1.902 40 0 CDABRO C[C@]12CCC[NH2+][C@@H]1CCCN2S(=O)(=O)c1cccnc1 ZINC000257258479 190021465 /nfs/dbraw/zinc/02/14/65/190021465.db2.gz KUERFWNGFKJOEO-KGLIPLIRSA-N 1 0 295.408 1.377 40 0 CDABRO COC[C@@H]1CN(C(=O)CCc2ccccc2)CC[N@H+](C)C1 ZINC000257273314 190025090 /nfs/dbraw/zinc/02/50/90/190025090.db2.gz NGBXNJDOWDSVTF-INIZCTEOSA-N 1 0 290.407 1.656 40 0 CDABRO O=C1CCCN1C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000257305038 190030730 /nfs/dbraw/zinc/03/07/30/190030730.db2.gz SOEJLQSNCTWCMZ-HNNXBMFYSA-N 1 0 273.380 1.916 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@H]1C[NH3+] ZINC000218614841 375862819 /nfs/dbraw/zinc/86/28/19/375862819.db2.gz XVHGYMBGPQNORA-WOPDTQHZSA-N 1 0 257.330 1.301 40 0 CDABRO Cc1cc(Nc2cc(CC3CC[NH2+]CC3)ncn2)n[nH]1 ZINC000257318266 190032363 /nfs/dbraw/zinc/03/23/63/190032363.db2.gz VNEBIKZIKFGZEW-UHFFFAOYSA-N 1 0 272.356 1.794 40 0 CDABRO COc1ccccc1C(=O)N1C[C@@H]2[NH2+]CCCC[C@H]2C1 ZINC000257330541 190035311 /nfs/dbraw/zinc/03/53/11/190035311.db2.gz XOVDLECQNLFZBE-JSGCOSHPSA-N 1 0 274.364 1.909 40 0 CDABRO CNc1cncc([C@H]2CCCN2C(=O)C2CC[NH2+]CC2)n1 ZINC000257337559 190036222 /nfs/dbraw/zinc/03/62/22/190036222.db2.gz YTHRJKLRGHWCEW-CYBMUJFWSA-N 1 0 289.383 1.181 40 0 CDABRO CCOc1cc(-c2noc(CC[NH3+])n2)ccc1OC ZINC000072220489 256706560 /nfs/dbraw/zinc/70/65/60/256706560.db2.gz UZLYFPNLOHRRKK-UHFFFAOYSA-N 1 0 263.297 1.645 40 0 CDABRO CN1CC[N@H+](CC2CCOCC2)Cc2cccnc21 ZINC000096198817 256819607 /nfs/dbraw/zinc/81/96/07/256819607.db2.gz IGRGQEHKLXKQJN-UHFFFAOYSA-N 1 0 261.369 1.760 40 0 CDABRO CN(C)C(=O)NCC[C@@]12CCO[C@@H]1CC[N@@H+](C1CCC1)C2 ZINC000096208088 256824340 /nfs/dbraw/zinc/82/43/40/256824340.db2.gz QEHDMFCVWYKPLZ-ZBFHGGJFSA-N 1 0 295.427 1.681 40 0 CDABRO CC(C)N(CC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000079421418 390422390 /nfs/dbraw/zinc/42/23/90/390422390.db2.gz HEDJPLOFGJKJJG-LBPRGKRZSA-N 1 0 250.342 1.496 40 0 CDABRO CC(C)OC(=O)[C@H]1CC[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000096510339 390530563 /nfs/dbraw/zinc/53/05/63/390530563.db2.gz GXNVKSKNYMQVPW-WDEREUQCSA-N 1 0 286.372 1.441 40 0 CDABRO C[C@H](Oc1ncc(Br)cn1)[C@H]1CC[N@H+](C)C1 ZINC000096515820 390533270 /nfs/dbraw/zinc/53/32/70/390533270.db2.gz ZRRRAEIZYIQRST-IUCAKERBSA-N 1 0 286.173 1.958 40 0 CDABRO CCN(Cc1cnn(CC)c1)C[C@@H]1CCC[NH2+]C1 ZINC000096523670 390537338 /nfs/dbraw/zinc/53/73/38/390537338.db2.gz CAENFYOUFCZSIH-CYBMUJFWSA-N 1 0 250.390 1.725 40 0 CDABRO O=CN1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216195 390620669 /nfs/dbraw/zinc/62/06/69/390620669.db2.gz IZXGVNDWMMLBDV-CQSZACIVSA-N 1 0 275.352 1.602 40 0 CDABRO CC(C)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096043394 390912086 /nfs/dbraw/zinc/91/20/86/390912086.db2.gz PYLVLNLBWUPDMB-QLFBSQMISA-N 1 0 296.411 1.533 40 0 CDABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccco2)C1 ZINC000096059169 390912323 /nfs/dbraw/zinc/91/23/23/390912323.db2.gz IABUOIACKWRZPI-ZDUSSCGKSA-N 1 0 274.368 1.670 40 0 CDABRO CC(C)[N@@H+]1C[C@H]2CCN(c3cncnc3)C(=O)[C@@H]2C1 ZINC000096249129 390913587 /nfs/dbraw/zinc/91/35/87/390913587.db2.gz PVDVGTPEUHALEB-DGCLKSJQSA-N 1 0 260.341 1.170 40 0 CDABRO CCc1nnc2sc(-c3cc[n+](CC)cc3)nn12 ZINC000226773734 390924560 /nfs/dbraw/zinc/92/45/60/390924560.db2.gz BJANQHWBVQIXDT-UHFFFAOYSA-N 1 0 260.346 1.723 40 0 CDABRO CC[C@](C)(O)C[NH2+][C@H]1[C@@H](O)[C@]2(C)CC[C@H]1C2(C)C ZINC000245239329 391345197 /nfs/dbraw/zinc/34/51/97/391345197.db2.gz HVDIZGMTRLRDBQ-FPVZYODXSA-N 1 0 255.402 1.923 40 0 CDABRO FC1(F)CC[NH2+]C[C@@]12CCN(c1cnccn1)C2 ZINC000096078105 391627514 /nfs/dbraw/zinc/62/75/14/391627514.db2.gz PRCRQWDFMYOJAK-LLVKDONJSA-N 1 0 254.284 1.302 40 0 CDABRO CCOC[C@]1([NH3+])C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218005195 130765259 /nfs/dbraw/zinc/76/52/59/130765259.db2.gz XTTILHAPXQSDJK-VXGBXAGGSA-N 1 0 289.784 1.620 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](C[NH3+])[C@@H]1c1ccc(F)cc1 ZINC000218614663 130769943 /nfs/dbraw/zinc/76/99/43/130769943.db2.gz XVHGYMBGPQNORA-SRVKXCTJSA-N 1 0 257.330 1.301 40 0 CDABRO Cc1c(Cl)c(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)nn1C ZINC000335042608 150219755 /nfs/dbraw/zinc/21/97/55/150219755.db2.gz DINNVLZDBPGFMR-HTQZYQBOSA-N 1 0 270.764 1.204 40 0 CDABRO COc1cc(/C=C\C(=O)NCCCC[NH3+])ccc1O ZINC000008652493 170343822 /nfs/dbraw/zinc/34/38/22/170343822.db2.gz SFUVCMKSYKHYLD-ALCCZGGFSA-N 1 0 264.325 1.269 40 0 endogenous,in-man CDABRO C[C@H]([NH2+]CCN(C)C)C(=O)N1CCc2ccccc21 ZINC000022586168 171393378 /nfs/dbraw/zinc/39/33/78/171393378.db2.gz NHSODKFYYNGQJT-LBPRGKRZSA-N 1 0 261.369 1.115 40 0 CDABRO C[C@@H]([NH2+]CCN(C)C)C(=O)N1CCCCCCC1 ZINC000022586224 171393544 /nfs/dbraw/zinc/39/35/44/171393544.db2.gz HGSCIHYSEIQQAI-CYBMUJFWSA-N 1 0 255.406 1.319 40 0 CDABRO COC[C@H]1CN(C(C)=O)CC[N@H+](Cc2ccccn2)C1 ZINC000072343692 176371888 /nfs/dbraw/zinc/37/18/88/176371888.db2.gz XMIHMWMIMPQJEE-CQSZACIVSA-N 1 0 277.368 1.008 40 0 CDABRO CNC(=O)[C@@]1(CCCc2cnccn2)CCCC[NH2+]1 ZINC000072343806 176372147 /nfs/dbraw/zinc/37/21/47/176372147.db2.gz AGCJZRJGDDJWKH-AWEZNQCLSA-N 1 0 262.357 1.058 40 0 CDABRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358296 176376194 /nfs/dbraw/zinc/37/61/94/176376194.db2.gz JAAOLXJDUMLUCX-ZDUSSCGKSA-N 1 0 289.379 1.363 40 0 CDABRO O=C(NCc1ccccn1)c1cnc([C@@H]2CCC[NH2+]C2)cn1 ZINC000072365666 176381202 /nfs/dbraw/zinc/38/12/02/176381202.db2.gz JPQPDRIXSYETFX-GFCCVEGCSA-N 1 0 297.362 1.269 40 0 CDABRO O=C(c1cccc(C2CC[NH2+]CC2)n1)N1CCCOCC1 ZINC000072365726 176381286 /nfs/dbraw/zinc/38/12/86/176381286.db2.gz OLUONKXLKOMKIF-UHFFFAOYSA-N 1 0 289.379 1.411 40 0 CDABRO OC1(C[NH+]2CCC(c3nnco3)CC2)CCCCC1 ZINC000072366720 176381683 /nfs/dbraw/zinc/38/16/83/176381683.db2.gz GZIKCEIXSICONB-UHFFFAOYSA-N 1 0 265.357 1.944 40 0 CDABRO Cc1nc(C(=O)N2CCCC2)cc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072382865 176388402 /nfs/dbraw/zinc/38/84/02/176388402.db2.gz NESNLYDACRCPIG-ZDUSSCGKSA-N 1 0 288.395 1.830 40 0 CDABRO C[NH+]1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000072383477 176388538 /nfs/dbraw/zinc/38/85/38/176388538.db2.gz VGASXSGNHHENBW-UHFFFAOYSA-N 1 0 284.367 1.895 40 0 CDABRO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)o1 ZINC000072397564 176395035 /nfs/dbraw/zinc/39/50/35/176395035.db2.gz LCVHXNSVPJGZNT-WCFLWFBJSA-N 1 0 250.342 1.227 40 0 CDABRO OCCCn1cc(C[N@@H+]2CCC[C@@H](O)C2)c2ccccc21 ZINC000072397870 176395525 /nfs/dbraw/zinc/39/55/25/176395525.db2.gz UVXZNOJGBSLHPF-OAHLLOKOSA-N 1 0 288.391 1.980 40 0 CDABRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccnc(F)c2)C1 ZINC000077957496 177312697 /nfs/dbraw/zinc/31/26/97/177312697.db2.gz OWEZPQRLKRHDLB-CYBMUJFWSA-N 1 0 296.342 1.734 40 0 CDABRO Cc1cc(C[NH2+]CC2(O)CCOCC2)ccc1F ZINC000078552501 177353331 /nfs/dbraw/zinc/35/33/31/177353331.db2.gz GUIOILSZPNIEPZ-UHFFFAOYSA-N 1 0 253.317 1.765 40 0 CDABRO O[C@@H]1CN(Cc2ccccc2F)CC[C@H]1[NH+]1CCCC1 ZINC000036739938 275054430 /nfs/dbraw/zinc/05/44/30/275054430.db2.gz IDMJRARCHFRRJM-HZPDHXFCSA-N 1 0 278.371 1.857 40 0 CDABRO CCC[NH+]1CCC2(C[C@H](Nc3ncccn3)CO2)CC1 ZINC000096048094 276005253 /nfs/dbraw/zinc/00/52/53/276005253.db2.gz WZTSSLRCGPTVDQ-ZDUSSCGKSA-N 1 0 276.384 1.922 40 0 CDABRO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(-n2cccn2)nc1 ZINC000019656172 277571939 /nfs/dbraw/zinc/57/19/39/277571939.db2.gz XLLBFKMKRXGTNB-ZDUSSCGKSA-N 1 0 299.378 1.481 40 0 CDABRO CO[C@@H]1CCCOC12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000257220590 277646394 /nfs/dbraw/zinc/64/63/94/277646394.db2.gz DLHQARSFRSCILV-OAHLLOKOSA-N 1 0 293.411 1.889 40 0 CDABRO C[C@H]1CN(C[C@@H]2COc3ccccc3O2)[C@@H](C)C[NH2+]1 ZINC000022580957 279862831 /nfs/dbraw/zinc/86/28/31/279862831.db2.gz PGKAQCYZBLUAAE-RWMBFGLXSA-N 1 0 262.353 1.509 40 0 CDABRO CCS(=O)(=O)NCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000075837692 280025296 /nfs/dbraw/zinc/02/52/96/280025296.db2.gz RBZCOTIIGANSMM-UPJWGTAASA-N 1 0 274.430 1.579 40 0 CDABRO O=C(c1cnccn1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062664417 280232457 /nfs/dbraw/zinc/23/24/57/280232457.db2.gz XVKQRRFIXHKJOZ-AWEZNQCLSA-N 1 0 268.320 1.263 40 0 CDABRO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC000019576536 282007275 /nfs/dbraw/zinc/00/72/75/282007275.db2.gz JZRWWLBJRXLPCS-LLVKDONJSA-N 1 0 261.325 1.129 40 0 CDABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2cccnc2)C1 ZINC000096059181 289203297 /nfs/dbraw/zinc/20/32/97/289203297.db2.gz ANFOWCMZAZIUCK-HNNXBMFYSA-N 1 0 285.395 1.472 40 0 CDABRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000044555954 303419777 /nfs/dbraw/zinc/41/97/77/303419777.db2.gz IYAVMTADGXBDLB-SECBINFHSA-N 1 0 260.384 1.250 40 0 CDABRO O=c1cc2c(nn1Cc1ccc(Cl)cc1)CC[NH2+]C2 ZINC000063169745 527484379 /nfs/dbraw/zinc/48/43/79/527484379.db2.gz CBSGSBIAPRWLKF-UHFFFAOYSA-N 1 0 275.739 1.591 40 0 CDABRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000092747289 567901724 /nfs/dbraw/zinc/90/17/24/567901724.db2.gz BCORXGFOWMHREA-XQQFMLRXSA-N 1 0 274.430 1.436 40 0 CDABRO CC1(C)O[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](CO)[C@@H]2O1 ZINC000036406655 1165751115 /nfs/dbraw/zinc/75/11/15/1165751115.db2.gz AUVSIAZDYGROKK-MJBXVCDLSA-N 1 0 263.337 1.383 40 0 CDABRO CCC(CC)n1nc(C)cc1C(=O)N[C@H]1C[NH2+]C[C@H]1OC ZINC001548448011 967501097 /nfs/dbraw/zinc/50/10/97/967501097.db2.gz CZXYRTUZISPNER-GXTWGEPZSA-N 1 0 294.399 1.269 40 0 CDABRO C[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000070187038 361787545 /nfs/dbraw/zinc/78/75/45/361787545.db2.gz KKRVWTYZCOOIGW-UHFFFAOYSA-N 1 0 258.115 1.940 40 0 CDABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccnc2)N1c1cccnc1 ZINC000096055706 185076527 /nfs/dbraw/zinc/07/65/27/185076527.db2.gz CZAWBDCTCNMHAY-JKSUJKDBSA-N 1 0 294.358 1.856 40 0 CDABRO c1nc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)c[nH]1 ZINC000096074631 185087807 /nfs/dbraw/zinc/08/78/07/185087807.db2.gz MQGQXDXMCZVPJE-UHFFFAOYSA-N 1 0 290.411 1.487 40 0 CDABRO C[N@@H+]1CCOCC12CCN(Cc1nccs1)CC2 ZINC000096074707 185088530 /nfs/dbraw/zinc/08/85/30/185088530.db2.gz IBEPXRVIRKKKFZ-UHFFFAOYSA-N 1 0 267.398 1.440 40 0 CDABRO Cc1ccc(CN2C[C@@H]3C[N@H+](C)CCO[C@@H]3C2)s1 ZINC000096107926 185100404 /nfs/dbraw/zinc/10/04/04/185100404.db2.gz YZNLHIWWAYPHCB-GXTWGEPZSA-N 1 0 266.410 1.819 40 0 CDABRO CC[C@H](C)N1C[C@@]2(CCCN(Cc3nccn3C)C2)C1=O ZINC000585099356 342212163 /nfs/dbraw/zinc/21/21/63/342212163.db2.gz HMFNBGVAGBXIIB-BBRMVZONSA-N 1 0 290.411 1.643 40 0 CDABRO C[NH+]1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000585105212 342212858 /nfs/dbraw/zinc/21/28/58/342212858.db2.gz QIMLVIFWRMRSFJ-GFCCVEGCSA-N 1 0 250.367 1.788 40 0 CDABRO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000585109532 342213112 /nfs/dbraw/zinc/21/31/12/342213112.db2.gz AURHOOSERZEVEB-OFQRWUPVSA-N 1 0 296.374 1.550 40 0 CDABRO CNC(=O)C[C@@H]1C[N@H+](Cc2cccc(C)n2)CC[C@H]1OC ZINC000585275403 342256065 /nfs/dbraw/zinc/25/60/65/342256065.db2.gz BHUNHKUWRUKTLM-UKRRQHHQSA-N 1 0 291.395 1.363 40 0 CDABRO CNC(=O)[C@]1(C)CCC[N@H+](CC2(O)CCCC2)C1 ZINC000585282583 342258534 /nfs/dbraw/zinc/25/85/34/342258534.db2.gz HMYXWUFXXRPDDO-CYBMUJFWSA-N 1 0 254.374 1.140 40 0 CDABRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(Cl)o1)CC2 ZINC000332229532 362425992 /nfs/dbraw/zinc/42/59/92/362425992.db2.gz LUPHMVFIQCKPRL-SECBINFHSA-N 1 0 296.758 1.776 40 0 CDABRO c1cc(N2CCCC2)cn2nc([C@H]3CCC[NH2+]C3)nc12 ZINC000306139622 201844176 /nfs/dbraw/zinc/84/41/76/201844176.db2.gz TVYMVIGXEKYNNL-LBPRGKRZSA-N 1 0 271.368 1.797 40 0 CDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1C(=O)OCc1ccccc1 ZINC000230489093 348756389 /nfs/dbraw/zinc/75/63/89/348756389.db2.gz PFWDUAUMYWDGNJ-CHWSQXEVSA-N 1 0 277.320 1.081 40 0 CDABRO Nc1ncc(C[NH2+]CCc2nc3ccccc3[nH]2)cn1 ZINC000062718386 350413300 /nfs/dbraw/zinc/41/33/00/350413300.db2.gz TXYMGJGGVSUOCP-UHFFFAOYSA-N 1 0 268.324 1.267 40 0 CDABRO Cc1cc(=O)[nH]c([C@H]2CC[N@H+](Cc3ccccn3)C2)n1 ZINC000019118490 356475214 /nfs/dbraw/zinc/47/52/14/356475214.db2.gz FYNJFRQLFVGBFV-LBPRGKRZSA-N 1 0 270.336 1.463 40 0 CDABRO Cc1cc2ccncc2n1CC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000019127032 356475612 /nfs/dbraw/zinc/47/56/12/356475612.db2.gz YZMMGGXIVMKQPQ-MZBDJJRSSA-N 1 0 271.364 1.990 40 0 CDABRO CC(C)(C)OC(=O)NC1CCC(OCC[NH3+])CC1 ZINC000079390641 356988489 /nfs/dbraw/zinc/98/84/89/356988489.db2.gz PFQJXVGQJFCUKB-UHFFFAOYSA-N 1 0 258.362 1.798 40 0 CDABRO C[N@H+](CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391650 356988576 /nfs/dbraw/zinc/98/85/76/356988576.db2.gz DTTWTJTZTGLXCU-HNNXBMFYSA-N 1 0 292.379 1.712 40 0 CDABRO CC(C)(C)OC(=O)NCC1CC[NH+](CCO)CC1 ZINC000079407850 356990632 /nfs/dbraw/zinc/99/06/32/356990632.db2.gz JGVGEQNDLMLXNH-UHFFFAOYSA-N 1 0 258.362 1.215 40 0 CDABRO CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(CCO)C1 ZINC000079414196 356993518 /nfs/dbraw/zinc/99/35/18/356993518.db2.gz BJKGRXLGDNZUTM-MRXNPFEDSA-N 1 0 262.397 1.823 40 0 CDABRO NC(=[NH2+])C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000079843354 358081962 /nfs/dbraw/zinc/08/19/62/358081962.db2.gz USEUAEKFNMKTPH-UHFFFAOYSA-N 1 0 267.354 1.023 40 0 CDABRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@@H]1CCOC1 ZINC000096184589 358714323 /nfs/dbraw/zinc/71/43/23/358714323.db2.gz FVUCYKDGHVQXKR-RTXFEEFZSA-N 1 0 293.392 1.221 40 0 CDABRO C[N@@H+]1C[C@@H]2C[C@H](CC(=O)NCc3cccs3)O[C@@H]2C1 ZINC000096208114 358720559 /nfs/dbraw/zinc/72/05/59/358720559.db2.gz HSMXHGFHKCTNMU-DMDPSCGWSA-N 1 0 280.393 1.474 40 0 CDABRO COC[C@H]1Cn2cncc2CN(Cc2c(C)noc2C)C1 ZINC000096217318 358721510 /nfs/dbraw/zinc/72/15/10/358721510.db2.gz FYSQWVBRBWIQSO-CYBMUJFWSA-N 1 0 290.367 1.766 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccsc3)CC[C@H]21 ZINC000096249247 358726913 /nfs/dbraw/zinc/72/69/13/358726913.db2.gz FALPQJAWYHQSDC-ZIAGYGMSSA-N 1 0 294.420 1.612 40 0 CDABRO CC(C)Oc1ncnc2c1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096255652 358728812 /nfs/dbraw/zinc/72/88/12/358728812.db2.gz SDESNTHNNCKRNZ-CYBMUJFWSA-N 1 0 291.395 1.701 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@H](c2ccco2)N1 ZINC000022225439 283409762 /nfs/dbraw/zinc/40/97/62/283409762.db2.gz YNNNYQPWWKKOII-LLVKDONJSA-N 1 0 281.275 1.277 40 0 CDABRO O=C(CC[NH+]1CCC(C(F)(F)F)CC1)N1CCOCC1 ZINC000075996545 366944423 /nfs/dbraw/zinc/94/44/23/366944423.db2.gz DLCDIRZBJVNGLP-UHFFFAOYSA-N 1 0 294.317 1.510 40 0 CDABRO c1cncc(COC[C@@]23CCCO[C@H]2CC[NH2+]C3)c1 ZINC000306128199 367315352 /nfs/dbraw/zinc/31/53/52/367315352.db2.gz GUACBXGGQZSQLF-GJZGRUSLSA-N 1 0 262.353 1.757 40 0 CDABRO CCc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)CC)cc1 ZINC000218582231 373047022 /nfs/dbraw/zinc/04/70/22/373047022.db2.gz NBBAEOSFOGDZKE-MJBXVCDLSA-N 1 0 267.394 1.724 40 0 CDABRO Clc1cccc(-c2nnc(CN3CC[NH2+]CC3)[nH]2)c1 ZINC000064875459 374240604 /nfs/dbraw/zinc/24/06/04/374240604.db2.gz XWYKOZAMMIABTQ-UHFFFAOYSA-N 1 0 277.759 1.530 40 0 CDABRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCNC(=O)C1(C)C ZINC000334329705 374915040 /nfs/dbraw/zinc/91/50/40/374915040.db2.gz OIDIHDSNCDSPAD-CYBMUJFWSA-N 1 0 267.417 1.460 40 0 CDABRO CCCC[C@H]([NH3+])C(=O)N1CCN(c2ncccc2F)CC1 ZINC000225562524 375165061 /nfs/dbraw/zinc/16/50/61/375165061.db2.gz KYMVUJIIBBHYPW-ZDUSSCGKSA-N 1 0 294.374 1.387 40 0 CDABRO COCCn1nc(C)c(C[NH2+]C[C@@H]2CCC=CO2)c1C ZINC000225582787 375166172 /nfs/dbraw/zinc/16/61/72/375166172.db2.gz PUBWRSUWLWYIQC-AWEZNQCLSA-N 1 0 279.384 1.929 40 0 CDABRO Cc1nn(C)c2nc(C)cc(C(=O)NCCC[NH+](C)C)c12 ZINC000027985146 375169698 /nfs/dbraw/zinc/16/96/98/375169698.db2.gz ORCWBSUONNIAFR-UHFFFAOYSA-N 1 0 289.383 1.267 40 0 CDABRO CC(C)n1nc(C2CC2)cc1C[NH2+]CCN(C)C ZINC000256051563 190003606 /nfs/dbraw/zinc/00/36/06/190003606.db2.gz JQUDINIXPMVJJV-UHFFFAOYSA-N 1 0 250.390 1.993 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000257229760 190016447 /nfs/dbraw/zinc/01/64/47/190016447.db2.gz FZKFXBLWLYCAGO-ROJDOSBLSA-N 1 0 274.364 1.225 40 0 CDABRO Cc1c[nH]c(-c2cncc(C[C@@H]3CCC[NH2+]C3)n2)n1 ZINC000257243744 190018796 /nfs/dbraw/zinc/01/87/96/190018796.db2.gz IIJUIVPJCQEGOV-NSHDSACASA-N 1 0 257.341 1.717 40 0 CDABRO Cn1nccc1-c1cccc(C[C@H]2CC[N@H+](C)C2)n1 ZINC000257245490 190019449 /nfs/dbraw/zinc/01/94/49/190019449.db2.gz IPSLBVMIGPEFTI-GFCCVEGCSA-N 1 0 256.353 1.976 40 0 CDABRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000257269717 190023971 /nfs/dbraw/zinc/02/39/71/190023971.db2.gz MRBYRVUNCKKYIP-LLVKDONJSA-N 1 0 288.351 1.694 40 0 CDABRO Cc1nc(C(=O)NC2CC2)cc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257271752 190024189 /nfs/dbraw/zinc/02/41/89/190024189.db2.gz MZRJGFUQTDUEAI-NSHDSACASA-N 1 0 274.368 1.486 40 0 CDABRO Cn1cc(C(=O)N2CCC[C@H]3[N@H+](C)CCC[C@@]32C)cn1 ZINC000257273536 190024885 /nfs/dbraw/zinc/02/48/85/190024885.db2.gz NHAKCSOQWPEAHV-HIFRSBDPSA-N 1 0 276.384 1.509 40 0 CDABRO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cnco1 ZINC000257292751 190027734 /nfs/dbraw/zinc/02/77/34/190027734.db2.gz QMUXYXMYRHLPAY-YRGRVCCFSA-N 1 0 293.367 1.172 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000257291456 190027917 /nfs/dbraw/zinc/02/79/17/190027917.db2.gz QHAMHZNRIKNEMU-KRWDZBQOSA-N 1 0 288.391 1.314 40 0 CDABRO CCn1nccc1-c1nccnc1CC1CC[NH2+]CC1 ZINC000257297026 190029602 /nfs/dbraw/zinc/02/96/02/190029602.db2.gz RFLDZZTYQHGVFT-UHFFFAOYSA-N 1 0 271.368 1.902 40 0 CDABRO NC(=O)c1cncnc1[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000257308057 190030917 /nfs/dbraw/zinc/03/09/17/190030917.db2.gz TVGGTDHMQRBSBF-AWEZNQCLSA-N 1 0 296.374 1.608 40 0 CDABRO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257328605 190034691 /nfs/dbraw/zinc/03/46/91/190034691.db2.gz XGKFOGOBGFJWJK-CYBMUJFWSA-N 1 0 259.357 1.831 40 0 CDABRO CCOCC[N@@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257328643 190035169 /nfs/dbraw/zinc/03/51/69/190035169.db2.gz XGNZVPSTLJCTPK-CYBMUJFWSA-N 1 0 290.367 1.998 40 0 CDABRO C[N@@H+]1CCN(Cc2cccc(Cl)c2)C[C@H](C(N)=O)C1 ZINC000257334608 190036491 /nfs/dbraw/zinc/03/64/91/190036491.db2.gz YGQOPGGAIQJDAL-GFCCVEGCSA-N 1 0 281.787 1.189 40 0 CDABRO CCn1cc(Cl)c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000002767070 378053159 /nfs/dbraw/zinc/05/31/59/378053159.db2.gz CXSAIDGRPUMDSK-SNVBAGLBSA-N 1 0 282.775 1.477 40 0 CDABRO O[C@@H]1CC=C2CC[N@@H+]3Cc4cc5c(cc4[C@@H]1[C@H]23)OCO5 ZINC000005734929 285309814 /nfs/dbraw/zinc/30/98/14/285309814.db2.gz XKYSLILSDJBMCU-KCXAZCMYSA-N 1 0 271.316 1.778 40 0 CDABRO [NH3+]CCn1cccc1-c1nc(-c2ccccn2)no1 ZINC000096517054 390531910 /nfs/dbraw/zinc/53/19/10/390531910.db2.gz JFKOFMOHPLCBPA-UHFFFAOYSA-N 1 0 255.281 1.559 40 0 CDABRO CCOC(=O)[C@@H](CN)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000072210503 390618098 /nfs/dbraw/zinc/61/80/98/390618098.db2.gz WNDMCPZMRMMPIE-QWHCGFSZSA-N 1 0 256.390 1.635 40 0 CDABRO CC(=O)N1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216256 390621321 /nfs/dbraw/zinc/62/13/21/390621321.db2.gz DIYJQZVZZVAJJT-OAHLLOKOSA-N 1 0 289.379 1.992 40 0 CDABRO c1cc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)ccn1 ZINC000253588447 390942396 /nfs/dbraw/zinc/94/23/96/390942396.db2.gz DABADBDWDFLXAT-IRXDYDNUSA-N 1 0 287.407 1.767 40 0 CDABRO O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)c1ccsc1 ZINC000096157250 390913324 /nfs/dbraw/zinc/91/33/24/390913324.db2.gz VHIIDYAVBRHEKR-LBPRGKRZSA-N 1 0 280.393 1.779 40 0 CDABRO COc1ccc(C[C@@H]2C[N@H+](C)CC[C@@H]2O)c(OC)c1OC ZINC000252497671 392794883 /nfs/dbraw/zinc/79/48/83/392794883.db2.gz QMQMRMFUDUJKIO-OLZOCXBDSA-N 1 0 295.379 1.568 40 0 CDABRO CCn1nnc(C)c1C[N@@H+]1CCS[C@H](C)CC1 ZINC000336208373 151360581 /nfs/dbraw/zinc/36/05/81/151360581.db2.gz FWVLFSNGELXIIL-SNVBAGLBSA-N 1 0 254.403 1.934 40 0 CDABRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)C)C12CCOCC2 ZINC000249001137 286283242 /nfs/dbraw/zinc/28/32/42/286283242.db2.gz NAHQORQUIOKNQZ-MGPQQGTHSA-N 1 0 271.401 1.567 40 0 CDABRO O=C1C[C@H](c2ccccc2)[NH2+]CCCCN(O)CCCN1 ZINC000008651676 170343808 /nfs/dbraw/zinc/34/38/08/170343808.db2.gz QGMXLNCOBCGXMO-OAHLLOKOSA-N 1 0 291.395 1.699 40 0 CDABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[NH2+]C2 ZINC000023509062 171423178 /nfs/dbraw/zinc/42/31/78/171423178.db2.gz KBAAUFFHENERPW-OAHLLOKOSA-N 1 0 262.328 1.928 40 0 CDABRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037536776 173255803 /nfs/dbraw/zinc/25/58/03/173255803.db2.gz KYVRMLRYTDRINP-UHFFFAOYSA-N 1 0 272.345 1.198 40 0 CDABRO CN(C)S(=O)(=O)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000044029906 175139002 /nfs/dbraw/zinc/13/90/02/175139002.db2.gz ADEWUCLOOJAHBD-GFCCVEGCSA-N 1 0 284.381 1.068 40 0 CDABRO CCNC(=O)c1cc(C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072369340 176383957 /nfs/dbraw/zinc/38/39/57/176383957.db2.gz PEKHDQRPUNSAAA-LLVKDONJSA-N 1 0 262.357 1.344 40 0 CDABRO Cc1nonc1CNc1cnc(C2CC[NH2+]CC2)cn1 ZINC000072386959 176392506 /nfs/dbraw/zinc/39/25/06/176392506.db2.gz BVEYUKZFMAUNDX-UHFFFAOYSA-N 1 0 274.328 1.247 40 0 CDABRO Cc1nc(NCC2CCOCC2)cc([C@@H]2C[NH2+]CCO2)n1 ZINC000072386950 176392612 /nfs/dbraw/zinc/39/26/12/176392612.db2.gz XXFCIQNXZCQIJI-AWEZNQCLSA-N 1 0 292.383 1.284 40 0 CDABRO Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]CC(C)C)c1 ZINC000072321693 292583061 /nfs/dbraw/zinc/58/30/61/292583061.db2.gz GLCTWXVSHRTINF-KLHDSHLOSA-N 1 0 263.381 1.818 40 0 biogenic,in-vitro CDABRO CC(C)OCCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717822 262303335 /nfs/dbraw/zinc/30/33/35/262303335.db2.gz AUWBCBZUIBEXGU-UHFFFAOYSA-N 1 0 278.400 1.982 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000257301705 273802223 /nfs/dbraw/zinc/80/22/23/273802223.db2.gz RZMXRNKDQWNKJV-QGZVFWFLSA-N 1 0 299.374 1.373 40 0 CDABRO C[NH+](C)C[C@@H]1CCc2cc3c(cc2C1=O)OCCO3 ZINC000005535393 276796639 /nfs/dbraw/zinc/79/66/39/276796639.db2.gz IDNNHIVEBYGLOF-NSHDSACASA-N 1 0 261.321 1.765 40 0 CDABRO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000082334257 277079330 /nfs/dbraw/zinc/07/93/30/277079330.db2.gz OSXQCUVXIBGRLJ-LBPRGKRZSA-N 1 0 275.352 1.925 40 0 CDABRO CN1NC2(CC[NH+](Cc3ccccc3)CC2)NC1=S ZINC000225350306 277214165 /nfs/dbraw/zinc/21/41/65/277214165.db2.gz JUBRQGYDEUCOCD-UHFFFAOYSA-N 1 0 276.409 1.303 40 0 CDABRO C[C@@H]1[C@H]([NH3+])C(=O)N1c1ccc(Br)cc1 ZINC000225776574 278098299 /nfs/dbraw/zinc/09/82/99/278098299.db2.gz NUKWKOBBKZXUHN-MUWHJKNJSA-N 1 0 255.115 1.512 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079409758 279299589 /nfs/dbraw/zinc/29/95/89/279299589.db2.gz HEECPVABHSXKGM-RYUDHWBXSA-N 1 0 299.415 1.580 40 0 CDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccncc2)C1 ZINC000096086773 289218554 /nfs/dbraw/zinc/21/85/54/289218554.db2.gz HHSHNBXVDBNCKT-OAHLLOKOSA-N 1 0 285.395 1.472 40 0 CDABRO Cc1cc(C)cc(N2CC[C@H](C[NH3+])S2(=O)=O)c1 ZINC000260753019 328063785 /nfs/dbraw/zinc/06/37/85/328063785.db2.gz AUEVIXVGMOJPJL-GFCCVEGCSA-N 1 0 254.355 1.171 40 0 CDABRO COc1cc(OC)c([C@@H]2C[C@@]2(C[NH3+])CO)c(OC)c1 ZINC000062713412 522832548 /nfs/dbraw/zinc/83/25/48/522832548.db2.gz VKJXCZRLYWBQEZ-IINYFYTJSA-N 1 0 267.325 1.137 40 0 CDABRO CCOC(=O)[C@H]1CC[C@H]([NH3+])[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000165107320 1180945008 /nfs/dbraw/zinc/94/50/08/1180945008.db2.gz STWAQGKVYHZJCJ-DCAQKATOSA-N 1 0 286.372 1.570 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001548448007 967499902 /nfs/dbraw/zinc/49/99/02/967499902.db2.gz CXGNCIGNRVUNIA-XXILOJSOSA-N 1 0 284.306 1.171 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC001548448206 969430278 /nfs/dbraw/zinc/43/02/78/969430278.db2.gz VIWZOWWZOAMBLT-QCZZGDTMSA-N 1 0 298.333 1.561 40 0 CDABRO c1cnc(N2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096053747 185073744 /nfs/dbraw/zinc/07/37/44/185073744.db2.gz PJCHVWHHISTKCQ-GJZGRUSLSA-N 1 0 281.363 1.440 40 0 CDABRO O=S(=O)(c1cccc(Cl)c1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000096054079 185076716 /nfs/dbraw/zinc/07/67/16/185076716.db2.gz FONDLARPTWVVFQ-JOYOIKCWSA-N 1 0 286.784 1.322 40 0 CDABRO O[C@H]1CC[N@H+](Cc2ccncc2)[C@H]1Cc1ccncc1 ZINC000096061653 185082657 /nfs/dbraw/zinc/08/26/57/185082657.db2.gz KXMZCDIIJIBPKV-HOTGVXAUSA-N 1 0 269.348 1.655 40 0 CDABRO C[NH+](C)CCN1CC[C@]2(C1)CCCN(c1nncs1)C2 ZINC000096071639 185086364 /nfs/dbraw/zinc/08/63/64/185086364.db2.gz PLPXQEPXLASPOJ-AWEZNQCLSA-N 1 0 295.456 1.392 40 0 CDABRO COCCN1C(=O)CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccoc1 ZINC000096083139 185091948 /nfs/dbraw/zinc/09/19/48/185091948.db2.gz IKRPSGXTDZHOHC-KGLIPLIRSA-N 1 0 278.352 1.491 40 0 CDABRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1cnn(C)c1)C2 ZINC000096092491 185094840 /nfs/dbraw/zinc/09/48/40/185094840.db2.gz VTBSBHZNMYKHJH-CQSZACIVSA-N 1 0 286.379 1.249 40 0 CDABRO COCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)noc3C)C[C@@H]21 ZINC000585108610 342213269 /nfs/dbraw/zinc/21/32/69/342213269.db2.gz LRDXYQXRNUJEKI-OLZOCXBDSA-N 1 0 293.367 1.084 40 0 CDABRO COC(=O)c1ccc(Cl)cc1N1CC[NH+](C)CC1 ZINC000575436875 539067793 /nfs/dbraw/zinc/06/77/93/539067793.db2.gz UXKUTRFZEYRKQY-UHFFFAOYSA-N 1 0 268.744 1.878 40 0 CDABRO O=C(CN1CCOCC1)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253493092 342429803 /nfs/dbraw/zinc/42/98/03/342429803.db2.gz SDSXUQAOBNTGTH-HUUCEWRRSA-N 1 0 296.411 1.126 40 0 CDABRO Cc1nnc(N2C[C@@H]([NH+](C)C)[C@H]3OCCC[C@H]3C2)s1 ZINC000096088988 282326441 /nfs/dbraw/zinc/32/64/41/282326441.db2.gz NDIRGKZOGQOSQS-TUAOUCFPSA-N 1 0 282.413 1.392 40 0 CDABRO NC(=O)[C@@H](O[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000217520390 362434342 /nfs/dbraw/zinc/43/43/42/362434342.db2.gz MLAQZLDTZUHNKE-RYUDHWBXSA-N 1 0 252.289 1.121 40 0 CDABRO CNc1cncc([C@@H]2CCC[N@@H+]2C2CCN(C)CC2)n1 ZINC000257261972 362580554 /nfs/dbraw/zinc/58/05/54/362580554.db2.gz LJMPYJRMTJXMIW-AWEZNQCLSA-N 1 0 275.400 1.749 40 0 CDABRO NC(=O)[C@H]1CCCN(c2ccnc(C3CC[NH2+]CC3)c2)C1 ZINC000257335442 362587125 /nfs/dbraw/zinc/58/71/25/362587125.db2.gz YKEGPWRHZLCWOT-ZDUSSCGKSA-N 1 0 288.395 1.250 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[NH2+]CCOC2 ZINC000091303575 180130059 /nfs/dbraw/zinc/13/00/59/180130059.db2.gz WXMRPDPSEFQHSX-CQSZACIVSA-N 1 0 270.373 1.624 40 0 CDABRO O=C1NCC[C@]12CCC[N@H+](Cc1ccncc1)CC2 ZINC000108526765 186221332 /nfs/dbraw/zinc/22/13/32/186221332.db2.gz HBLSKPPHUIOCIS-HNNXBMFYSA-N 1 0 259.353 1.574 40 0 CDABRO CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000108530009 186222341 /nfs/dbraw/zinc/22/23/41/186222341.db2.gz CJJZFCXGSMEJIR-GOEBONIOSA-N 1 0 273.380 1.820 40 0 CDABRO CNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1cnc(C)nc1)C2 ZINC000108535584 186222409 /nfs/dbraw/zinc/22/24/09/186222409.db2.gz WLDHZKNCVXTDRC-HOCLYGCPSA-N 1 0 288.395 1.523 40 0 CDABRO CC1(C(=O)N[C@H]2CCOc3c(Cl)cccc32)C[NH2+]C1 ZINC000333866433 363196838 /nfs/dbraw/zinc/19/68/38/363196838.db2.gz TUYGHOZIHMVEMF-NSHDSACASA-N 1 0 280.755 1.889 40 0 CDABRO CCCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000333884065 363203996 /nfs/dbraw/zinc/20/39/96/363203996.db2.gz WUVOMSSRRXJGII-UKRRQHHQSA-N 1 0 290.411 1.897 40 0 CDABRO CCn1nc(C)c(NC(=O)CC2CC[NH2+]CC2)c1C ZINC000160323443 188466453 /nfs/dbraw/zinc/46/64/53/188466453.db2.gz YGTPFQVBIQCJQB-UHFFFAOYSA-N 1 0 264.373 1.848 40 0 CDABRO NC(=O)[C@@]1(Br)C=[N+](Cc2ccccc2)CCC1 ZINC000001616670 355942112 /nfs/dbraw/zinc/94/21/12/355942112.db2.gz ILUQBDFSDVGEQS-ZDUSSCGKSA-O 1 0 296.188 1.683 40 0 CDABRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012396461 356297784 /nfs/dbraw/zinc/29/77/84/356297784.db2.gz FQHLJVSSOPTSPG-LBPRGKRZSA-N 1 0 251.330 1.195 40 0 CDABRO CCC(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019499088 356488084 /nfs/dbraw/zinc/48/80/84/356488084.db2.gz NSYJYNXWJYJTSY-UHFFFAOYSA-N 1 0 288.395 1.581 40 0 CDABRO CC(C)C(=O)N(C)Cc1cc(C2CC[NH2+]CC2)nn1C ZINC000019710185 356497114 /nfs/dbraw/zinc/49/71/14/356497114.db2.gz LDWQTCWOEGZEEE-UHFFFAOYSA-N 1 0 278.400 1.502 40 0 CDABRO [NH3+]CCOC[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079390647 356988222 /nfs/dbraw/zinc/98/82/22/356988222.db2.gz WCQSRTYAGYAFMI-AWEZNQCLSA-N 1 0 278.352 1.763 40 0 CDABRO CC[N@H+](CCO)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393514 356989339 /nfs/dbraw/zinc/98/93/39/356989339.db2.gz MHKVOFXLYJGGFP-INIZCTEOSA-N 1 0 262.397 1.965 40 0 CDABRO CN(C(=O)OC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000079407895 356990525 /nfs/dbraw/zinc/99/05/25/356990525.db2.gz TULAXAAPZDZFEJ-UHFFFAOYSA-N 1 0 258.362 1.310 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@@H]1CCN(CC[NH3+])C1)C1CC1 ZINC000079408594 356992150 /nfs/dbraw/zinc/99/21/50/356992150.db2.gz XVJZCULGXLAITO-GFCCVEGCSA-N 1 0 283.416 1.667 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)nn1)C(C)C ZINC000079435881 356996117 /nfs/dbraw/zinc/99/61/17/356996117.db2.gz CNJPHICJMGQOSG-LBPRGKRZSA-N 1 0 284.791 1.850 40 0 CDABRO CC(C)[N@@H+]1CCC[C@H](c2cnc(N3CCOCC3)cn2)C1 ZINC000072364847 357830990 /nfs/dbraw/zinc/83/09/90/357830990.db2.gz VPTIORFCROQAMX-AWEZNQCLSA-N 1 0 290.411 1.901 40 0 CDABRO CC(C)(C)OC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000199768865 358093026 /nfs/dbraw/zinc/09/30/26/358093026.db2.gz CPCCORHENBIWIA-JGVFFNPUSA-N 1 0 268.279 1.991 40 0 CDABRO CCn1nc(C)c(C[NH2+]C[C@@H](O)c2ccco2)c1C ZINC000080190024 358714592 /nfs/dbraw/zinc/71/45/92/358714592.db2.gz WHUWAEMIJBXTNJ-CYBMUJFWSA-N 1 0 263.341 1.936 40 0 CDABRO COCC[N@@H+]1CCC[C@]12CCCN(Cc1cnn(C)c1)C2 ZINC000096203220 358718889 /nfs/dbraw/zinc/71/88/89/358718889.db2.gz JXAWNKQTRAIZNV-INIZCTEOSA-N 1 0 292.427 1.497 40 0 CDABRO C[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096201938 358719311 /nfs/dbraw/zinc/71/93/11/358719311.db2.gz NSFNFCONZOBXSR-AWEZNQCLSA-N 1 0 280.393 1.542 40 0 CDABRO CN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc[nH]1)C2 ZINC000096229705 358724190 /nfs/dbraw/zinc/72/41/90/358724190.db2.gz CFXFMORMJVPPRP-OAHLLOKOSA-N 1 0 261.369 1.992 40 0 CDABRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000097953346 358806934 /nfs/dbraw/zinc/80/69/34/358806934.db2.gz JPMLLRBHPMMCJA-TZMCWYRMSA-N 1 0 264.325 1.007 40 0 CDABRO CCC[N@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1C(=O)N2C ZINC000514289639 360119928 /nfs/dbraw/zinc/11/99/28/360119928.db2.gz MPIFQIDBIZUFJK-NEPJUHHUSA-N 1 0 261.325 1.009 40 0 biogenic,in-vitro CDABRO CC(C)(C)OC(=O)N1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000095096503 360319872 /nfs/dbraw/zinc/31/98/72/360319872.db2.gz ZBVAVTOHPUDXRL-UHFFFAOYSA-N 1 0 281.360 1.309 40 0 CDABRO CCCC[C@]1(C(=O)OCC)C[C@@H](SC(N)=[NH2+])OC1=O ZINC000013635324 360506439 /nfs/dbraw/zinc/50/64/39/360506439.db2.gz VQUJWEPUDFTPCU-PRHODGIISA-N 1 0 288.369 1.626 40 0 CDABRO C[N@@H+]1CCC[C@H](CNC(=O)NCCC(F)(F)F)C1 ZINC000074161588 360582054 /nfs/dbraw/zinc/58/20/54/360582054.db2.gz NCYMHJWWWMONMY-SECBINFHSA-N 1 0 267.295 1.580 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@@]1(C[NH3+])COC ZINC000218417464 367923633 /nfs/dbraw/zinc/92/36/33/367923633.db2.gz JYQUWIOREHRYDE-RRFJBIMHSA-N 1 0 297.420 1.487 40 0 CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000026439576 296122269 /nfs/dbraw/zinc/12/22/69/296122269.db2.gz CXABUZLGGVHQRG-MELADBBJSA-N 1 0 269.433 1.706 40 0 CDABRO Cc1cscc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000333117839 205044181 /nfs/dbraw/zinc/04/41/81/205044181.db2.gz HRIAOMJSBJVYRI-SECBINFHSA-N 1 0 255.343 1.166 40 0 CDABRO COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C1)[NH2+]2 ZINC000265540504 291555706 /nfs/dbraw/zinc/55/57/06/291555706.db2.gz AGHLPBBEJOPZON-HUVAQWKNSA-N 1 0 298.383 1.583 40 0 CDABRO c1cnc2c(c1)nc1n2[C@@H](C[NH2+]C2CCC2)COC1 ZINC000096112788 375057409 /nfs/dbraw/zinc/05/74/09/375057409.db2.gz XBTOIYWOBIWYQM-NSHDSACASA-N 1 0 258.325 1.645 40 0 biogenic,in-vitro CDABRO Cc1c(C)n(C[C@@H](O)C[NH2+]CCO)c2ccc(C)cc12 ZINC000028297030 375239773 /nfs/dbraw/zinc/23/97/73/375239773.db2.gz KCURVWCCXVNDAE-AWEZNQCLSA-N 1 0 276.380 1.509 40 0 CDABRO OC[C@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000215723763 375285832 /nfs/dbraw/zinc/28/58/32/375285832.db2.gz ZSRDUHBUWUQNBM-KOLCDFICSA-N 1 0 256.143 1.744 40 0 CDABRO Cc1c(C[NH2+]C[C@@H]2CCCO2)cnn1CC(F)F ZINC000256054204 190005153 /nfs/dbraw/zinc/00/51/53/190005153.db2.gz VKKMNVPILQRDOI-NSHDSACASA-N 1 0 259.300 1.725 40 0 CDABRO CC[NH+](CC)CCCNCc1c(C)nn(C)c1F ZINC000256049975 190003169 /nfs/dbraw/zinc/00/31/69/190003169.db2.gz CCVPBPRKGGESLU-UHFFFAOYSA-N 1 0 256.369 1.689 40 0 CDABRO CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000257207604 190011779 /nfs/dbraw/zinc/01/17/79/190011779.db2.gz BILQVCCARYOOOM-GJZGRUSLSA-N 1 0 262.353 1.148 40 0 CDABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccn(C)n1 ZINC000257218119 190013788 /nfs/dbraw/zinc/01/37/88/190013788.db2.gz DBYNKBQNZHNWHL-OAHLLOKOSA-N 1 0 286.379 1.575 40 0 CDABRO CO[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@]12CCCO2 ZINC000257226934 190015335 /nfs/dbraw/zinc/01/53/35/190015335.db2.gz FMUNDACWBCJZGP-KBPBESRZSA-N 1 0 265.357 1.190 40 0 CDABRO COCCC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000257255438 190021072 /nfs/dbraw/zinc/02/10/72/190021072.db2.gz KHMBUQZIZQVSFZ-AWEZNQCLSA-N 1 0 278.352 1.205 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCC2CCCCC2)C1 ZINC000257294712 190028221 /nfs/dbraw/zinc/02/82/21/190028221.db2.gz QVIZBZVEDHLLNT-INIZCTEOSA-N 1 0 282.428 1.872 40 0 CDABRO CC[NH+]1CCC(N2CCO[C@@H](c3cnccn3)C2)CC1 ZINC000257296164 190028592 /nfs/dbraw/zinc/02/85/92/190028592.db2.gz RBMJMWLDIYVRRY-OAHLLOKOSA-N 1 0 276.384 1.334 40 0 CDABRO C[N@@H+]1CCC[C@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257300543 190029011 /nfs/dbraw/zinc/02/90/11/190029011.db2.gz RURBJGPKDXTDQP-NSHDSACASA-N 1 0 261.325 1.847 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2c[nH]cn2)cc1 ZINC000257321968 190033888 /nfs/dbraw/zinc/03/38/88/190033888.db2.gz WECDYXDNKUZSFD-HNNXBMFYSA-N 1 0 272.352 1.565 40 0 CDABRO Cc1c[nH]c([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257330363 190034796 /nfs/dbraw/zinc/03/47/96/190034796.db2.gz XOBAEPIRNPEXIE-ZDUSSCGKSA-N 1 0 276.384 1.520 40 0 CDABRO CCOCC[N@@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257328644 190034862 /nfs/dbraw/zinc/03/48/62/190034862.db2.gz XGNZVPSTLJCTPK-ZDUSSCGKSA-N 1 0 290.367 1.998 40 0 CDABRO C[NH+]1CCC2(CC1)COCCN(c1ncccn1)C2 ZINC000096239991 256830250 /nfs/dbraw/zinc/83/02/50/256830250.db2.gz QBDJZXLSFUYVRA-UHFFFAOYSA-N 1 0 262.357 1.025 40 0 CDABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)N3CCCC3)C2)C1 ZINC000096049622 285349175 /nfs/dbraw/zinc/34/91/75/285349175.db2.gz WSAZDTAKHVDRCR-INIZCTEOSA-N 1 0 295.427 1.637 40 0 CDABRO CN1CC[NH+]([C@H]2c3ccccc3OC(C)(C)[C@H]2O)CC1 ZINC000019366513 390226986 /nfs/dbraw/zinc/22/69/86/390226986.db2.gz BKTHJGILZXJQLV-GJZGRUSLSA-N 1 0 276.380 1.507 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391240 390421690 /nfs/dbraw/zinc/42/16/90/390421690.db2.gz IZAAUNCPESBDRQ-SRVKXCTJSA-N 1 0 299.415 1.628 40 0 CDABRO CC1=C[C@@H](C)[C@H]2C(=O)N(Cc3ccc[n+](C)c3)C(=O)[C@H]2C1 ZINC000100599099 390449798 /nfs/dbraw/zinc/44/97/98/390449798.db2.gz PYBDZRRKYOKDCJ-VHDGCEQUSA-N 1 0 285.367 1.598 40 0 CDABRO CCn1ncc(CN(C)C[C@@H]2CCCC[NH2+]2)c1C ZINC000096523997 390537503 /nfs/dbraw/zinc/53/75/03/390537503.db2.gz MCKNICNPINFWRX-AWEZNQCLSA-N 1 0 250.390 1.785 40 0 CDABRO Cc1nn(C)c(C)c1CCN(C)C[C@H]1CCC[NH2+]1 ZINC000096523695 390537547 /nfs/dbraw/zinc/53/75/47/390537547.db2.gz IJWPRTBGGVVCFQ-CYBMUJFWSA-N 1 0 250.390 1.263 40 0 CDABRO Cc1nn(C)cc1CN(C)CC1([NH3+])CCCCC1 ZINC000096523883 390537877 /nfs/dbraw/zinc/53/78/77/390537877.db2.gz IHPOJPLFDZHTBS-UHFFFAOYSA-N 1 0 250.390 1.822 40 0 CDABRO CC[C@H]([C@@H]([NH3+])c1ccc(OC)cc1)S(=O)(=O)CC ZINC000096524996 390539546 /nfs/dbraw/zinc/53/95/46/390539546.db2.gz IUGKMHOOMJXAFA-OLZOCXBDSA-N 1 0 271.382 1.908 40 0 CDABRO CC[C@@H]([C@H]([NH3+])c1ccc(OC)cc1)S(=O)(=O)CC ZINC000096524990 390540001 /nfs/dbraw/zinc/54/00/01/390540001.db2.gz IUGKMHOOMJXAFA-QWHCGFSZSA-N 1 0 271.382 1.908 40 0 CDABRO COC(=O)c1cnc(N2CC[NH+](C(C)C)CC2)cc1C ZINC000072223697 390624145 /nfs/dbraw/zinc/62/41/45/390624145.db2.gz JXGBYKIJKWEVNT-UHFFFAOYSA-N 1 0 277.368 1.707 40 0 CDABRO CCCNc1ncc(CNCCC[NH+](C)C)cn1 ZINC000062718465 391576726 /nfs/dbraw/zinc/57/67/26/391576726.db2.gz AZIOUVISPHSKED-UHFFFAOYSA-N 1 0 251.378 1.340 40 0 CDABRO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000078984429 393119925 /nfs/dbraw/zinc/11/99/25/393119925.db2.gz OTXVVJJQMPDXFR-ZDUSSCGKSA-N 1 0 269.389 1.337 40 0 CDABRO c1cnc(N2CC3(C2)CC[C@H](C[NH+]2CCCC2)CO3)nc1 ZINC000247984656 296633044 /nfs/dbraw/zinc/63/30/44/296633044.db2.gz YUPGQWHYCNFBJY-CQSZACIVSA-N 1 0 288.395 1.558 40 0 CDABRO CC[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000004969105 170046953 /nfs/dbraw/zinc/04/69/53/170046953.db2.gz DQBYUQAIMHCDPL-STQMWFEESA-N 1 0 254.374 1.546 40 0 CDABRO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])o2)cc1 ZINC000004993573 170051493 /nfs/dbraw/zinc/05/14/93/170051493.db2.gz URXGYKBCPOYPTE-UHFFFAOYSA-N 1 0 280.349 1.525 40 0 CDABRO CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000008326363 170331216 /nfs/dbraw/zinc/33/12/16/170331216.db2.gz QLNIKHSBMODHAF-NSHDSACASA-N 1 0 269.341 1.573 40 0 CDABRO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC000034382773 171838222 /nfs/dbraw/zinc/83/82/22/171838222.db2.gz XXIQPSQYSBWVII-SNVBAGLBSA-N 1 0 288.388 1.960 40 0 CDABRO [NH3+]CC(=O)N(Cc1ccccc1Br)C1CC1 ZINC000037808838 173752560 /nfs/dbraw/zinc/75/25/60/173752560.db2.gz ULGOJMAUDHRQFA-UHFFFAOYSA-N 1 0 283.169 1.899 40 0 CDABRO O=S(=O)(NCC1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000038584086 174148798 /nfs/dbraw/zinc/14/87/98/174148798.db2.gz UTLSFPTUZKHDFP-UHFFFAOYSA-N 1 0 298.408 1.573 40 0 CDABRO COC(=O)c1cc(I)ccc1C[NH3+] ZINC000039951647 174176434 /nfs/dbraw/zinc/17/64/34/174176434.db2.gz VCUDXSZDIUEGQM-UHFFFAOYSA-N 1 0 291.088 1.537 40 0 CDABRO CN(C)C(=O)[C@]1(CCCc2cccnc2)CCC[NH2+]C1 ZINC000072344211 176372781 /nfs/dbraw/zinc/37/27/81/176372781.db2.gz MEHYNTJVVFMLFY-MRXNPFEDSA-N 1 0 275.396 1.862 40 0 CDABRO O=C(NC1CCC(O)CC1)c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072367574 176382519 /nfs/dbraw/zinc/38/25/19/176382519.db2.gz MALXOFOEUCJRKA-BPCQOVAHSA-N 1 0 289.379 1.539 40 0 CDABRO Cc1cccc(OC[C@@H]2CCC[N@H+](CC(N)=O)C2)c1 ZINC000072367783 176382774 /nfs/dbraw/zinc/38/27/74/176382774.db2.gz HXMIWBPHZSSUQU-CYBMUJFWSA-N 1 0 262.353 1.571 40 0 CDABRO OCC[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000072381319 176387785 /nfs/dbraw/zinc/38/77/85/176387785.db2.gz PEFAIGUWLIYXCS-MRVPVSSYSA-N 1 0 263.263 1.600 40 0 CDABRO FC(F)(F)c1nnc2sc(C3CC[NH2+]CC3)nn21 ZINC000073636200 176480046 /nfs/dbraw/zinc/48/00/46/176480046.db2.gz SRUBMWJWUGQVGE-UHFFFAOYSA-N 1 0 277.275 1.672 40 0 CDABRO O=C1OC2(CC[NH2+]CC2)C(=O)N1c1ccc(F)cc1 ZINC000001705532 275026538 /nfs/dbraw/zinc/02/65/38/275026538.db2.gz PVOTVVMVJPBCFO-UHFFFAOYSA-N 1 0 264.256 1.431 40 0 CDABRO C[N@@H+]1CCc2ncnc(-c3ccc4c(c3)OCO4)c2CC1 ZINC000096084010 277189456 /nfs/dbraw/zinc/18/94/56/277189456.db2.gz LBSSNTKDDUGMRK-UHFFFAOYSA-N 1 0 283.331 1.903 40 0 CDABRO C[C@@H]1Cc2ccccc2N1C[C@@]1(O)CCC[N@H+](C)C1 ZINC000226216208 279019585 /nfs/dbraw/zinc/01/95/85/279019585.db2.gz XHIONXYOTPIENM-CZUORRHYSA-N 1 0 260.381 1.894 40 0 CDABRO Cc1cc(=O)cc([C@H]2CCC[N@@H+]2C2CCOCC2)[nH]1 ZINC000072364353 301066259 /nfs/dbraw/zinc/06/62/59/301066259.db2.gz ITGDSPLUYOQEHF-OAHLLOKOSA-N 1 0 262.353 1.999 40 0 CDABRO C[NH+](C)[C@@H]1CCCC[C@@H]1Oc1nccn2nccc12 ZINC000585651654 1160096187 /nfs/dbraw/zinc/09/61/87/1160096187.db2.gz GASWTLBEEMWSDV-YPMHNXCESA-N 1 0 260.341 1.981 40 0 CDABRO CC(C)(C)Oc1ccc(C[C@@H]([NH3+])C2(O)COC2)cc1 ZINC000584883973 822018856 /nfs/dbraw/zinc/01/88/56/822018856.db2.gz ACPQVHLCSSMDHJ-CYBMUJFWSA-N 1 0 265.353 1.495 40 0 CDABRO O=C(NCc1cscc1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001548449103 967501393 /nfs/dbraw/zinc/50/13/93/967501393.db2.gz GQUHKRKXVXGJNH-IUCAKERBSA-N 1 0 271.773 1.657 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(C2CCCC2)c1C ZINC001548448018 969383582 /nfs/dbraw/zinc/38/35/82/969383582.db2.gz DXVUOYBONLJMLE-ZIAGYGMSSA-N 1 0 292.383 1.023 40 0 CDABRO O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001547139904 974833582 /nfs/dbraw/zinc/83/35/82/974833582.db2.gz GSVVZNYQAGBDOE-YJNKXOJESA-N 1 0 260.381 1.895 40 0 CDABRO CC[NH+](CC)C[C@@H]1CCC2(CN(C(=O)[C@H]3C[C@H]3C)C2)OC1 ZINC000575402626 342451814 /nfs/dbraw/zinc/45/18/14/342451814.db2.gz DEWHHTIDIJNWCG-ILXRZTDVSA-N 1 0 294.439 1.992 40 0 CDABRO [NH3+][C@@H](Cc1ccccc1)c1nc(Cn2cccn2)n[nH]1 ZINC000095534872 185008166 /nfs/dbraw/zinc/00/81/66/185008166.db2.gz DCAIXEXLOGVKAO-LBPRGKRZSA-N 1 0 268.324 1.292 40 0 CDABRO CC(C)(C)OC(=O)N1C=C(N)C=C[C@H]1C1CC[NH2+]CC1 ZINC000100452047 342049466 /nfs/dbraw/zinc/04/94/66/342049466.db2.gz XBJGIPNETRLGQH-ZDUSSCGKSA-N 1 0 279.384 1.962 40 0 CDABRO CNC(=O)[C@@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2N1C ZINC000096054208 185076141 /nfs/dbraw/zinc/07/61/41/185076141.db2.gz RGEQVYSZTPZWDV-AEGPPILISA-N 1 0 291.370 1.076 40 0 CDABRO c1ccc(CO[C@@H]2C[C@H]3C[N@H+](CC4CC4)CCN3C2)nc1 ZINC000096055126 185076154 /nfs/dbraw/zinc/07/61/54/185076154.db2.gz XFZIQEZBAUMNGZ-DLBZAZTESA-N 1 0 287.407 1.767 40 0 CDABRO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 ZINC000096057468 185077365 /nfs/dbraw/zinc/07/73/65/185077365.db2.gz IIPXDHDGFSKASO-IJLUTSLNSA-N 1 0 295.408 1.353 40 0 CDABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(CC1CC1)C2 ZINC000096061790 185083452 /nfs/dbraw/zinc/08/34/52/185083452.db2.gz QSPDHYPZIOHQFK-UHFFFAOYSA-N 1 0 262.401 1.949 40 0 CDABRO CC[N@@H+]1CC[C@H]2C[C@@H](C(=O)NCC3CCOCC3)O[C@@H]2C1 ZINC000096066193 185083606 /nfs/dbraw/zinc/08/36/06/185083606.db2.gz SVZMIOXENYKSNV-SOUVJXGZSA-N 1 0 296.411 1.029 40 0 CDABRO Cc1cccc(Cn2c(=O)ccc3c2CC[NH2+]CC3)n1 ZINC000096067804 185085603 /nfs/dbraw/zinc/08/56/03/185085603.db2.gz UHWNCVBKCJEFSE-UHFFFAOYSA-N 1 0 269.348 1.288 40 0 CDABRO CCOC(=O)Cc1c(C)n(O)c2ccc(OC)cc2[n+]1=O ZINC000408526114 365655050 /nfs/dbraw/zinc/65/50/50/365655050.db2.gz GKDNQTINQBSJHO-UHFFFAOYSA-N 1 0 293.299 1.216 40 0 CDABRO CC(C)[N@@H+]1CCOC[C@](O)(COc2cccc(F)c2)C1 ZINC000585268966 342254471 /nfs/dbraw/zinc/25/44/71/342254471.db2.gz GAUVHKXYPRMRIC-HNNXBMFYSA-N 1 0 283.343 1.676 40 0 CDABRO CC(C)NC(=O)C[C@H]1[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]12 ZINC000107745854 186189118 /nfs/dbraw/zinc/18/91/18/186189118.db2.gz CXBFRXBQHVEJIP-BTTYYORXSA-N 1 0 276.384 1.013 40 0 CDABRO CC(C)(O)C[N@@H+]1CCC[C@@]2(C[C@@H](c3cncnc3)CO2)C1 ZINC000107787174 186191987 /nfs/dbraw/zinc/19/19/87/186191987.db2.gz BMOFOBUCYAPTBV-CZUORRHYSA-N 1 0 291.395 1.586 40 0 CDABRO Cc1ccc(S(=O)(=O)NCCCSCC[NH3+])cc1 ZINC000001632249 355942778 /nfs/dbraw/zinc/94/27/78/355942778.db2.gz PYOJZWAJQZSOND-UHFFFAOYSA-N 1 0 288.438 1.355 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC[NH3+])C1 ZINC000079408368 356992104 /nfs/dbraw/zinc/99/21/04/356992104.db2.gz SVGVNEVPPUPTGE-NSHDSACASA-N 1 0 257.378 1.276 40 0 CDABRO CC(C)N(C[C@@H]1CCCN1C(=O)C[NH3+])C(=O)OC(C)(C)C ZINC000079409237 356992453 /nfs/dbraw/zinc/99/24/53/356992453.db2.gz BBIJRHBGFAALRD-LBPRGKRZSA-N 1 0 299.415 1.582 40 0 CDABRO C[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)nc1)C1CC1 ZINC000079421615 356996344 /nfs/dbraw/zinc/99/63/44/356996344.db2.gz RFUHBQZLUJPGDC-QMMMGPOBSA-N 1 0 253.733 1.573 40 0 CDABRO CSc1nccnc1CN(C(=O)[C@H](C)[NH3+])C(C)C ZINC000079435725 356996748 /nfs/dbraw/zinc/99/67/48/356996748.db2.gz PGYGJMWNOVDFRN-VIFPVBQESA-N 1 0 268.386 1.283 40 0 CDABRO COc1ccc(CCC(=O)NCC[NH+](C)C)cc1 ZINC000047652998 357161989 /nfs/dbraw/zinc/16/19/89/357161989.db2.gz BCLAMAMWXJIXOY-UHFFFAOYSA-N 1 0 250.342 1.306 40 0 CDABRO COc1ccc(O[C@@H](C)C(=O)NCCC[NH+](C)C)cc1 ZINC000014399624 357216891 /nfs/dbraw/zinc/21/68/91/357216891.db2.gz UHKQZLMYVOUEFN-LBPRGKRZSA-N 1 0 280.368 1.530 40 0 CDABRO CO[C@H]1CC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000225584598 357287424 /nfs/dbraw/zinc/28/74/24/357287424.db2.gz PPZJGGGULNKLEU-KGLIPLIRSA-N 1 0 283.416 1.681 40 0 CDABRO Cn1cccc1C(=O)N1CCC2(CC([NH+](C)C)C2)CC1 ZINC000096159208 358710985 /nfs/dbraw/zinc/71/09/85/358710985.db2.gz VASIWFPURKJPML-UHFFFAOYSA-N 1 0 275.396 1.972 40 0 CDABRO O=C(C[C@H]1OC[C@H]2C[NH2+]CC[C@H]21)NCCc1cccs1 ZINC000096206490 358720194 /nfs/dbraw/zinc/72/01/94/358720194.db2.gz QRVVJSPAPISVEX-MRVWCRGKSA-N 1 0 294.420 1.421 40 0 CDABRO c1cnc(NCc2nnn3c2C[N@H+](CC2CC2)CCC3)nc1 ZINC000096259496 358728830 /nfs/dbraw/zinc/72/88/30/358728830.db2.gz KSDBYZLVWRMXRX-UHFFFAOYSA-N 1 0 299.382 1.296 40 0 CDABRO CC(C)[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC000096261157 358729480 /nfs/dbraw/zinc/72/94/80/358729480.db2.gz CVAQNROICZOFPK-CQSZACIVSA-N 1 0 273.380 1.928 40 0 CDABRO C(c1noc2c1C[N@H+](C[C@H]1CCOC1)CC2)N1CCCC1 ZINC000096259730 358729519 /nfs/dbraw/zinc/72/95/19/358729519.db2.gz VEHWFCBHTZNXOD-CYBMUJFWSA-N 1 0 291.395 1.665 40 0 CDABRO CCc1cnc(N2CCC3(C[C@H]([NH+](C)C)CO3)CC2)nc1 ZINC000104798480 358965063 /nfs/dbraw/zinc/96/50/63/358965063.db2.gz GPPSFQGNZXONED-AWEZNQCLSA-N 1 0 290.411 1.729 40 0 CDABRO [NH3+]C[C@@H]1CCN(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000222537537 359351651 /nfs/dbraw/zinc/35/16/51/359351651.db2.gz ZRQKOGUCJBDTKO-NSHDSACASA-N 1 0 274.773 1.203 40 0 CDABRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000305212687 364890907 /nfs/dbraw/zinc/89/09/07/364890907.db2.gz HMOSRHFGTRUENM-CZUORRHYSA-N 1 0 294.395 1.078 40 0 CDABRO C[NH2+]C1CCN(C(=O)c2cccnc2Cl)CC1 ZINC000079440111 374405673 /nfs/dbraw/zinc/40/56/73/374405673.db2.gz NDYDSMOYEDQFFL-UHFFFAOYSA-N 1 0 253.733 1.559 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)COCCC[NH2+]2 ZINC000306146006 374971564 /nfs/dbraw/zinc/97/15/64/374971564.db2.gz ZCDNBFZXTFHFBJ-CYBMUJFWSA-N 1 0 256.346 1.376 40 0 CDABRO CC[NH+](CC)CCNCc1cc(C(F)(F)F)nn1C ZINC000256054565 190005582 /nfs/dbraw/zinc/00/55/82/190005582.db2.gz WVMZWPYLQXLCTI-UHFFFAOYSA-N 1 0 278.322 1.870 40 0 CDABRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2cnccn2)CC1 ZINC000257209503 190012205 /nfs/dbraw/zinc/01/22/05/190012205.db2.gz BQRHDKJGQHDANL-AWEZNQCLSA-N 1 0 274.368 1.277 40 0 CDABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccnc(C)n1 ZINC000257230288 190016492 /nfs/dbraw/zinc/01/64/92/190016492.db2.gz GBPBHFOKDKXLPA-INIZCTEOSA-N 1 0 298.390 1.940 40 0 CDABRO O[C@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@@]12CCCO2 ZINC000257230916 190016553 /nfs/dbraw/zinc/01/65/53/190016553.db2.gz GEMNEHRELGWSPO-GJZGRUSLSA-N 1 0 265.328 1.942 40 0 CDABRO CNC(=O)[C@H]1CN(Cc2cccc(Cl)c2)CC[N@H+](C)C1 ZINC000257223828 190014558 /nfs/dbraw/zinc/01/45/58/190014558.db2.gz DZBYOBIWWAKSQB-CYBMUJFWSA-N 1 0 295.814 1.450 40 0 CDABRO CC(C)n1nccc1C[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000257263379 190022005 /nfs/dbraw/zinc/02/20/05/190022005.db2.gz LPQBHQLSKPAQRJ-OAHLLOKOSA-N 1 0 293.411 1.970 40 0 CDABRO COCC[NH+]1CC2(C1)CO[C@H](Cc1cccnc1)C2 ZINC000257279029 190025286 /nfs/dbraw/zinc/02/52/86/190025286.db2.gz OERPUPAAQNCIQM-CQSZACIVSA-N 1 0 262.353 1.361 40 0 CDABRO O[C@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@]12CCCO2 ZINC000257282631 190026235 /nfs/dbraw/zinc/02/62/35/190026235.db2.gz OUOKJZCDYNSQJM-GJZGRUSLSA-N 1 0 281.327 1.430 40 0 CDABRO Cc1cnc(CCNC(=O)C2CC[NH+](C(C)C)CC2)nc1 ZINC000330492793 376164867 /nfs/dbraw/zinc/16/48/67/376164867.db2.gz QANPWFHTRZUMNC-UHFFFAOYSA-N 1 0 290.411 1.564 40 0 CDABRO CCCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(N)c1 ZINC000070461627 377035451 /nfs/dbraw/zinc/03/54/51/377035451.db2.gz ZJMVWRMOHXTWAG-UHFFFAOYSA-N 1 0 291.395 1.978 40 0 CDABRO CC[NH+]1CCN(C[C@@H](O)COC2CCC(C)CC2)CC1 ZINC000041690168 379449268 /nfs/dbraw/zinc/44/92/68/379449268.db2.gz SOMFTOZWGVTKOY-HWOWSKLDSA-N 1 0 284.444 1.580 40 0 CDABRO O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1C[NH+]1CCCCCC1 ZINC000095394550 284989657 /nfs/dbraw/zinc/98/96/57/284989657.db2.gz AFAZTTCPOISWOF-KPWCQOOUSA-N 1 0 274.364 1.627 40 0 CDABRO COc1ccc(N2CC[C@]3(CCC[NH2+]C3)C2=O)cc1 ZINC000044136520 390434287 /nfs/dbraw/zinc/43/42/87/390434287.db2.gz ZTWKARKFXALKDE-HNNXBMFYSA-N 1 0 260.337 1.802 40 0 CDABRO CC(=O)N1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216197 390621329 /nfs/dbraw/zinc/62/13/29/390621329.db2.gz VCIQHGBNAIGLRK-HNNXBMFYSA-N 1 0 289.379 1.992 40 0 CDABRO Cc1cc(-c2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)n[nH]1 ZINC000257217619 391648012 /nfs/dbraw/zinc/64/80/12/391648012.db2.gz CZUARZMZVJRMGU-LLVKDONJSA-N 1 0 257.341 1.951 40 0 CDABRO CC(=O)N1CCCC2(CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000096071866 398069513 /nfs/dbraw/zinc/06/95/13/398069513.db2.gz JWRBTWURNRLOCQ-UHFFFAOYSA-N 1 0 293.455 1.807 40 0 CDABRO CO[C@H]1C[N@@H+](C2CCOCC2)CC[C@@]12CCCO2 ZINC000257260515 286072961 /nfs/dbraw/zinc/07/29/61/286072961.db2.gz LDFBPUQQAFJSQY-KBPBESRZSA-N 1 0 255.358 1.435 40 0 CDABRO COc1ccc([C@@H]2C[NH2+][C@@H]3CCCN(C(C)=O)[C@H]32)cc1 ZINC000409412902 286363542 /nfs/dbraw/zinc/36/35/42/286363542.db2.gz UIPRDYMNHVODCQ-XHSDSOJGSA-N 1 0 274.364 1.762 40 0 CDABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](CC1CC1)C2 ZINC000225495062 292377235 /nfs/dbraw/zinc/37/72/35/292377235.db2.gz MOFKCFJZIXAKHF-HNNXBMFYSA-N 1 0 275.396 1.803 40 0 biogenic,in-vitro CDABRO CCOc1ccc(CN2CC(=O)[O+]=N2)cc1OC ZINC000001698530 169744374 /nfs/dbraw/zinc/74/43/74/169744374.db2.gz ATRYTHHENKAAEM-UHFFFAOYSA-O 1 0 251.262 1.123 40 0 CDABRO CCn1cc(C[NH2+]Cc2ccc(O)c(OC)c2)cn1 ZINC000020352613 171156839 /nfs/dbraw/zinc/15/68/39/171156839.db2.gz OKHXNPCFPZCJIR-UHFFFAOYSA-N 1 0 261.325 1.907 40 0 CDABRO C[C@@H]1CN([C@H](C[NH3+])c2cccc(F)c2)C[C@@H](C)O1 ZINC000022168453 171366790 /nfs/dbraw/zinc/36/67/90/171366790.db2.gz KOSVWTNJZPXZKA-JTNHKYCSSA-N 1 0 252.333 1.935 40 0 CDABRO COCC[NH+]1CCC(CNC(=O)C2CCC2)CC1 ZINC000038582759 174148826 /nfs/dbraw/zinc/14/88/26/174148826.db2.gz HOPJJZOQXMTXQS-UHFFFAOYSA-N 1 0 254.374 1.261 40 0 CDABRO O=C(Nc1nncs1)c1cccc(C2CC[NH2+]CC2)n1 ZINC000072387058 176392606 /nfs/dbraw/zinc/39/26/06/176392606.db2.gz XKAFNDUDPBJRSA-UHFFFAOYSA-N 1 0 289.364 1.652 40 0 CDABRO C[NH+]1CCN(c2nn3cnnc3c3ccccc32)CC1 ZINC000027913317 273901457 /nfs/dbraw/zinc/90/14/57/273901457.db2.gz OBQLYQCGNKHDIJ-UHFFFAOYSA-N 1 0 268.324 1.029 40 0 CDABRO CCC[N@@H+]1C[C@H]2[C@H](C1)N(CC1CC1)C(=O)c1cccn12 ZINC000306141444 276014561 /nfs/dbraw/zinc/01/45/61/276014561.db2.gz VWKUIKSVVUPRLY-GJZGRUSLSA-N 1 0 273.380 1.989 40 0 CDABRO CC[N@@H+]1CCOCC12CCN(c1cnccn1)CC2 ZINC000096226156 276204179 /nfs/dbraw/zinc/20/41/79/276204179.db2.gz ZWWLQLAKGUWHRO-UHFFFAOYSA-N 1 0 262.357 1.168 40 0 CDABRO COc1cc2c(c(Br)c1O)[C@H](O)C[NH2+]C2 ZINC000095470479 277841567 /nfs/dbraw/zinc/84/15/67/277841567.db2.gz QAJUGFUQLZDZBN-ZCFIWIBFSA-N 1 0 274.114 1.300 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000058041001 277902586 /nfs/dbraw/zinc/90/25/86/277902586.db2.gz GHGVVJCGKGEARC-LBPRGKRZSA-N 1 0 299.415 1.485 40 0 CDABRO CS[C@H]1CCC[C@@H]1[N@H+](C)CC(=O)N1CCOCC1 ZINC000076147205 278161782 /nfs/dbraw/zinc/16/17/82/278161782.db2.gz PRPJFNRITHLYGP-RYUDHWBXSA-N 1 0 272.414 1.061 40 0 CDABRO CC(C)(CO)[NH2+]C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000009970751 278623584 /nfs/dbraw/zinc/62/35/84/278623584.db2.gz CZMBKTXEGFQCGG-ZOMKSWQUSA-N 1 0 299.455 1.939 40 0 CDABRO C[C@]1(C(=O)N2CCOCC2)C[N@@H+](C2CCCCC2)CCO1 ZINC000072379388 280145703 /nfs/dbraw/zinc/14/57/03/280145703.db2.gz ROUPPRWLGRZFNR-MRXNPFEDSA-N 1 0 296.411 1.269 40 0 CDABRO C[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000257197992 282059101 /nfs/dbraw/zinc/05/91/01/282059101.db2.gz PIMXJHXUJSVPCG-LBPRGKRZSA-N 1 0 299.415 1.454 40 0 CDABRO CC(C)Nc1ncc(C[NH2+]CCCN2CCCC2=O)cn1 ZINC000062717652 333176188 /nfs/dbraw/zinc/17/61/88/333176188.db2.gz PMOLKVGJCJYIBW-UHFFFAOYSA-N 1 0 291.399 1.399 40 0 CDABRO Cc1nc(COC[C@H]2CC[C@@H]3[NH2+]CC[C@@H]3O2)cs1 ZINC000107206580 342451662 /nfs/dbraw/zinc/45/16/62/342451662.db2.gz LSPVDZHJZBUIBA-AGIUHOORSA-N 1 0 268.382 1.878 40 0 CDABRO c1c2c(nn1CC1CC1)[C@H](C[NH2+]C1CCOCC1)OCC2 ZINC000097953876 230388478 /nfs/dbraw/zinc/38/84/78/230388478.db2.gz APTMZEBFJHHPLK-HNNXBMFYSA-N 1 0 291.395 1.676 40 0 CDABRO CC(=O)N[C@H]1C[N@@H+](C)C2(C1)CC[NH+](C1CCCCC1)CC2 ZINC000019695874 342538515 /nfs/dbraw/zinc/53/85/15/342538515.db2.gz ORBXWUGYJAWTAH-OAHLLOKOSA-N 1 0 293.455 1.994 40 0 CDABRO O=C1C[C@@]2(CC[N@H+](Cc3ccoc3)C2)CN1c1cncnc1 ZINC000096050824 185074212 /nfs/dbraw/zinc/07/42/12/185074212.db2.gz RMECSFACCLOEBG-MRXNPFEDSA-N 1 0 298.346 1.699 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1scnc1C)CC[C@H]2OC ZINC000096108531 185099535 /nfs/dbraw/zinc/09/95/35/185099535.db2.gz NWLPRWALAPKJFG-BFHYXJOUSA-N 1 0 295.452 1.993 40 0 CDABRO OC[C@H]1CCn2nccc2C[N@@H+]1CCc1ccccc1 ZINC000585097387 342211478 /nfs/dbraw/zinc/21/14/78/342211478.db2.gz KOVSWBFZOVPGIX-MRXNPFEDSA-N 1 0 271.364 1.692 40 0 CDABRO Cc1snnc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000585108111 342213329 /nfs/dbraw/zinc/21/33/29/342213329.db2.gz FHTSXBSFSPLEMU-NWDGAFQWSA-N 1 0 292.408 1.545 40 0 CDABRO Cc1nnsc1C(=O)N1CCC[C@@]12CCC[N@@H+](C)CC2 ZINC000585100603 342211939 /nfs/dbraw/zinc/21/19/39/342211939.db2.gz PHOSJFJIXQLLJN-CQSZACIVSA-N 1 0 294.424 1.937 40 0 CDABRO C[NH+](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000685936390 539098938 /nfs/dbraw/zinc/09/89/38/539098938.db2.gz VISKNHQIOAJQFV-GXFFZTMASA-N 1 0 258.362 1.308 40 0 CDABRO COC[C@@H]1CC[N@H+](C)C2(CN(c3cc(OC)ncn3)C2)C1 ZINC000248083977 362149482 /nfs/dbraw/zinc/14/94/82/362149482.db2.gz AVNKHVXUCZWPAR-GFCCVEGCSA-N 1 0 292.383 1.032 40 0 CDABRO Cc1cccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000157534051 136396386 /nfs/dbraw/zinc/39/63/86/136396386.db2.gz HCMUEQPGEAZINA-OAHLLOKOSA-N 1 0 275.396 1.939 40 0 CDABRO COCc1ccc([C@H]2CCC[N@@H+]2C[C@](C)(O)C(C)=O)o1 ZINC000332386903 362500545 /nfs/dbraw/zinc/50/05/45/362500545.db2.gz QCEOFVMKDGVYEC-HIFRSBDPSA-N 1 0 281.352 1.903 40 0 CDABRO C[C@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+](C)C ZINC000013595987 348736563 /nfs/dbraw/zinc/73/65/63/348736563.db2.gz JMOKBMJIHMYJKW-NSHDSACASA-N 1 0 268.332 1.661 40 0 CDABRO CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062114732 363012875 /nfs/dbraw/zinc/01/28/75/363012875.db2.gz WCIBZSHMJWMXFK-NSHDSACASA-N 1 0 252.745 1.908 40 0 CDABRO CCCOc1ccc(C(=O)OCC[NH2+]CC)cc1N ZINC000001661073 355945583 /nfs/dbraw/zinc/94/55/83/355945583.db2.gz DYWYWVAKAKIAJK-UHFFFAOYSA-N 1 0 266.341 1.824 40 0 CDABRO C(CN1CCOCC1)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001676235 355945794 /nfs/dbraw/zinc/94/57/94/355945794.db2.gz RIRPALZBRVUNDU-GASCZTMLSA-N 1 0 252.402 1.831 40 0 CDABRO OC1CC[NH+](Cc2ccnc(-c3cccnc3)n2)CC1 ZINC000019341307 356480712 /nfs/dbraw/zinc/48/07/12/356480712.db2.gz RWBCZIXZRLQRGC-UHFFFAOYSA-N 1 0 270.336 1.495 40 0 CDABRO CN1CC[NH+]([C@@H]2c3ccccc3OC(C)(C)[C@H]2O)CC1 ZINC000019366514 356482369 /nfs/dbraw/zinc/48/23/69/356482369.db2.gz BKTHJGILZXJQLV-CABCVRRESA-N 1 0 276.380 1.507 40 0 CDABRO Cc1c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cnn1C ZINC000019553409 356491223 /nfs/dbraw/zinc/49/12/23/356491223.db2.gz PBNBHXRUUDSMFG-OAHLLOKOSA-N 1 0 286.379 1.761 40 0 CDABRO CCc1ncc(C[N@@H+]2CCCC[C@@H]2CCNC(C)=O)cn1 ZINC000019745878 356498930 /nfs/dbraw/zinc/49/89/30/356498930.db2.gz DLLITCOBJWUFFJ-OAHLLOKOSA-N 1 0 290.411 1.920 40 0 CDABRO CN(CC1CC[NH+](CCO)CC1)C(=O)OC(C)(C)C ZINC000079407919 356991272 /nfs/dbraw/zinc/99/12/72/356991272.db2.gz SJHWSSKAUSSKMI-UHFFFAOYSA-N 1 0 272.389 1.558 40 0 CDABRO CCN(C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1)C(=O)OC(C)(C)C ZINC000079409683 356992710 /nfs/dbraw/zinc/99/27/10/356992710.db2.gz KQCUPAOKFDUKGI-RYUDHWBXSA-N 1 0 299.415 1.439 40 0 CDABRO CN(C[C@@H]1CCCCN1C(=O)C[NH3+])C(=O)OC(C)(C)C ZINC000079409064 356992731 /nfs/dbraw/zinc/99/27/31/356992731.db2.gz IPJJYXMSAFHJNX-NSHDSACASA-N 1 0 285.388 1.193 40 0 CDABRO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000079415204 356993278 /nfs/dbraw/zinc/99/32/78/356993278.db2.gz DCCQCYZGIHGECG-HNNXBMFYSA-N 1 0 275.396 1.458 40 0 CDABRO CC(=O)N(C(C)C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079418067 356994548 /nfs/dbraw/zinc/99/45/48/356994548.db2.gz BLVZRGWIGXNXEM-KKUMJFAQSA-N 1 0 297.443 1.654 40 0 CDABRO COC(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000047219174 357154088 /nfs/dbraw/zinc/15/40/88/357154088.db2.gz UXXUHBOGEKSZOW-VIFPVBQESA-N 1 0 251.282 1.457 40 0 CDABRO COc1ccc(C(=O)NCC[NH+](C)C)cc1Cl ZINC000059400253 357429725 /nfs/dbraw/zinc/42/97/25/357429725.db2.gz HRIOYNWBWQWLOG-UHFFFAOYSA-N 1 0 256.733 1.640 40 0 CDABRO O=C(Cc1cccs1)NCCC[NH+]1CCCC1 ZINC000061547568 357456449 /nfs/dbraw/zinc/45/64/49/357456449.db2.gz PNXRAIFIUXSOCV-UHFFFAOYSA-N 1 0 252.383 1.893 40 0 CDABRO Cc1cccc(C)c1S(=O)(=O)C1CC[NH2+]CC1 ZINC000199773455 358093000 /nfs/dbraw/zinc/09/30/00/358093000.db2.gz ULSWMEBJYUTNEC-UHFFFAOYSA-N 1 0 253.367 1.829 40 0 CDABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000082307829 358158133 /nfs/dbraw/zinc/15/81/33/358158133.db2.gz RGXPNAKKVJCQJJ-GFCCVEGCSA-N 1 0 276.336 1.373 40 0 CDABRO [NH3+]C[C@H](O)COCc1cc(Cl)ccc1Cl ZINC000095096230 366432150 /nfs/dbraw/zinc/43/21/50/366432150.db2.gz QLWRZWMAYYGZGU-VIFPVBQESA-N 1 0 250.125 1.830 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC000096185762 358714042 /nfs/dbraw/zinc/71/40/42/358714042.db2.gz VNFKMFUWAOVYDA-INMHGKMJSA-N 1 0 288.391 1.549 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096185766 358714111 /nfs/dbraw/zinc/71/41/11/358714111.db2.gz LHUQOMXYEYMNHS-WZRBSPASSA-N 1 0 280.393 1.682 40 0 CDABRO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096187229 358715493 /nfs/dbraw/zinc/71/54/93/358715493.db2.gz FLWVQBGTGWDTLC-MGPQQGTHSA-N 1 0 294.420 1.958 40 0 CDABRO Cc1nnn2c1COC[C@H](C[NH2+]Cc1ccoc1)C2 ZINC000096199306 358717585 /nfs/dbraw/zinc/71/75/85/358717585.db2.gz YGLGQFHHAYSJTE-GFCCVEGCSA-N 1 0 262.313 1.116 40 0 CDABRO O[C@@H]1CC[N@H+](C[C@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200039 358718072 /nfs/dbraw/zinc/71/80/72/358718072.db2.gz LZKVVOHGYNJTET-OWCLPIDISA-N 1 0 261.365 1.701 40 0 CDABRO CO[C@@H]1CC[N@H+](C[C@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200149 358718533 /nfs/dbraw/zinc/71/85/33/358718533.db2.gz OPHSKPHKPVVZEQ-OWCLPIDISA-N 1 0 276.380 1.750 40 0 CDABRO COC[C@@H]1C(=O)NCC12CC[NH+](Cc1cccs1)CC2 ZINC000096206087 358720009 /nfs/dbraw/zinc/72/00/09/358720009.db2.gz QAXDAEYILUDVOG-CYBMUJFWSA-N 1 0 294.420 1.723 40 0 CDABRO O=C1C[C@@]2(CC[N@H+](CC3CC3)C2)CN1c1cccnc1 ZINC000096239130 358724083 /nfs/dbraw/zinc/72/40/83/358724083.db2.gz VDVMXJYPNRJPQQ-MRXNPFEDSA-N 1 0 271.364 1.920 40 0 CDABRO C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244281 358725111 /nfs/dbraw/zinc/72/51/11/358725111.db2.gz WROPEUSVOUHQBO-INIZCTEOSA-N 1 0 282.347 1.642 40 0 CDABRO Cn1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2=O)cn1 ZINC000096245258 358725353 /nfs/dbraw/zinc/72/53/53/358725353.db2.gz WYIJKEDZMIQWDK-HOCLYGCPSA-N 1 0 296.374 1.515 40 0 CDABRO CC(C)Nc1ncnc2c1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096255541 358728425 /nfs/dbraw/zinc/72/84/25/358728425.db2.gz VOUHAGOKCXNOJP-CYBMUJFWSA-N 1 0 290.411 1.734 40 0 CDABRO COCC[NH2+]Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013998570 358826987 /nfs/dbraw/zinc/82/69/87/358826987.db2.gz KDBJVSFBGHNPGB-UHFFFAOYSA-N 1 0 260.337 1.881 40 0 CDABRO CCNC(=S)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225214221 359561384 /nfs/dbraw/zinc/56/13/84/359561384.db2.gz OAPBECZSMRSLCN-UHFFFAOYSA-N 1 0 271.430 1.114 40 0 CDABRO CO[C@H]1CCN(C(=O)c2ccoc2C)[C@H](C[NH3+])C1 ZINC000161069161 360558357 /nfs/dbraw/zinc/55/83/57/360558357.db2.gz VIJYKZMVWZALFD-QWRGUYRKSA-N 1 0 252.314 1.166 40 0 CDABRO Cc1cc(F)cc(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000135216382 361704260 /nfs/dbraw/zinc/70/42/60/361704260.db2.gz FYYFXTJDIATTKE-UHFFFAOYSA-N 1 0 250.317 1.864 40 0 CDABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218250172 365044289 /nfs/dbraw/zinc/04/42/89/365044289.db2.gz ARXKOCAAFLCZJU-KKUMJFAQSA-N 1 0 297.420 1.487 40 0 CDABRO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000075838896 366893808 /nfs/dbraw/zinc/89/38/08/366893808.db2.gz OOBDHEYVBWJEML-JKSUJKDBSA-N 1 0 278.396 1.897 40 0 CDABRO CC(C)(C)NC(=O)N1CCC[N@H+](CCn2cccn2)CC1 ZINC000075162621 367948915 /nfs/dbraw/zinc/94/89/15/367948915.db2.gz QHUCQJJJVGWDKM-UHFFFAOYSA-N 1 0 293.415 1.399 40 0 CDABRO OCC1(C[NH2+]Cc2ccc(Cl)o2)CCOCC1 ZINC000330679616 203108379 /nfs/dbraw/zinc/10/83/79/203108379.db2.gz KZRSDATUXNQLLH-UHFFFAOYSA-N 1 0 259.733 1.812 40 0 CDABRO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1cnn(C)c1 ZINC000096081915 296187439 /nfs/dbraw/zinc/18/74/39/296187439.db2.gz AHLHTZHQRRSCAB-HLPPOEQASA-N 1 0 292.427 1.561 40 0 CDABRO CN(C)c1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cn1 ZINC000049155469 373981854 /nfs/dbraw/zinc/98/18/54/373981854.db2.gz HUHRRRVLXQXNSN-JTQLQIEISA-N 1 0 259.313 1.622 40 0 biogenic,in-vitro CDABRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000061045506 374081855 /nfs/dbraw/zinc/08/18/55/374081855.db2.gz UUYMIPRVMXQWCC-UHFFFAOYSA-N 1 0 282.409 1.969 40 0 CDABRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000130917422 374228857 /nfs/dbraw/zinc/22/88/57/374228857.db2.gz YEHFJTNBLOHEQK-GJZGRUSLSA-N 1 0 288.391 1.798 40 0 CDABRO CC(C)COCCN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000225426976 374359956 /nfs/dbraw/zinc/35/99/56/374359956.db2.gz UMOJEDJTZYOFSW-LBPRGKRZSA-N 1 0 263.403 1.026 40 0 CDABRO CCCNC(=O)CCCC(=O)N1CCC[N@H+](CC)CC1 ZINC000079001691 374754473 /nfs/dbraw/zinc/75/44/73/374754473.db2.gz PIJQVGHCYJTTGT-UHFFFAOYSA-N 1 0 283.416 1.237 40 0 CDABRO CCOC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000079355231 374795708 /nfs/dbraw/zinc/79/57/08/374795708.db2.gz WBIUPXVTPZEVTL-ZFWWWQNUSA-N 1 0 265.353 1.537 40 0 CDABRO COc1c(F)cccc1NC(=O)C1CC[NH2+]CC1 ZINC000228938809 541984215 /nfs/dbraw/zinc/98/42/15/541984215.db2.gz NDXXGUGCFOPSGM-UHFFFAOYSA-N 1 0 252.289 1.772 40 0 CDABRO O=C1c2cccn2[C@H]2C[NH2+]C[C@H]2N1Cc1ccccn1 ZINC000306135342 374969837 /nfs/dbraw/zinc/96/98/37/374969837.db2.gz ONZVJIYBGKVGHK-UONOGXRCSA-N 1 0 268.320 1.052 40 0 CDABRO CO[C@@H]1CC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000225584534 375166419 /nfs/dbraw/zinc/16/64/19/375166419.db2.gz PPZJGGGULNKLEU-UONOGXRCSA-N 1 0 283.416 1.681 40 0 CDABRO CN(C)CC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256053802 190004673 /nfs/dbraw/zinc/00/46/73/190004673.db2.gz SXJYZZIQEXJFRT-UHFFFAOYSA-N 1 0 250.268 1.097 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CC[C@@H](c3n[nH]cc3C)C2)CC1 ZINC000257205533 190011519 /nfs/dbraw/zinc/01/15/19/190011519.db2.gz AZMWZGPTBTYUCZ-CYBMUJFWSA-N 1 0 276.384 1.518 40 0 CDABRO COC(=O)c1cc2c(nc1C(F)(F)F)CC[NH2+]C2 ZINC000090513313 284536837 /nfs/dbraw/zinc/53/68/37/284536837.db2.gz ROHRKMIUPOLEBP-UHFFFAOYSA-N 1 0 260.215 1.533 40 0 CDABRO Cc1nn(C)c(C)c1-c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000257240299 190018947 /nfs/dbraw/zinc/01/89/47/190018947.db2.gz HSXPPXBZXKHIGN-LBPRGKRZSA-N 1 0 271.368 1.961 40 0 CDABRO Cc1noc(C)c1-c1cc(CC[C@H]2C[NH2+]CCO2)ncn1 ZINC000257245088 190019324 /nfs/dbraw/zinc/01/93/24/190019324.db2.gz IOAWGOJDJMEHBR-ZDUSSCGKSA-N 1 0 288.351 1.669 40 0 CDABRO Cc1cc(-c2cnc(CC3CC[NH2+]CC3)cn2)n[nH]1 ZINC000257301008 190030546 /nfs/dbraw/zinc/03/05/46/190030546.db2.gz RWNGTTRTXQOORD-UHFFFAOYSA-N 1 0 257.341 1.717 40 0 CDABRO O=C(Cc1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257718058 190038128 /nfs/dbraw/zinc/03/81/28/190038128.db2.gz VCIVZSBYAGAYFW-INIZCTEOSA-N 1 0 258.365 1.831 40 0 CDABRO COc1nc(C)cc(C)c1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000331168376 376652426 /nfs/dbraw/zinc/65/24/26/376652426.db2.gz UQNCLURCWLYMEN-AWEZNQCLSA-N 1 0 293.411 1.909 40 0 CDABRO CCn1cc(Cl)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000002767069 378053871 /nfs/dbraw/zinc/05/38/71/378053871.db2.gz CXSAIDGRPUMDSK-JTQLQIEISA-N 1 0 282.775 1.477 40 0 CDABRO CCOC(=O)[C@@H]1C(C)[C@H](C(=O)OCC)[C@H](C)[NH2+][C@@H]1C ZINC000004404174 390153499 /nfs/dbraw/zinc/15/34/99/390153499.db2.gz LORBKPOPJYPMLM-CQGIUEJESA-N 1 0 271.357 1.361 40 0 CDABRO COc1cc(NC[C@H]2C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000096509418 390529917 /nfs/dbraw/zinc/52/99/17/390529917.db2.gz LOFDRLWZYWIXDB-NXEZZACHSA-N 1 0 266.341 1.719 40 0 CDABRO O=C(Nc1cccc(F)c1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC000096157290 390913292 /nfs/dbraw/zinc/91/32/92/390913292.db2.gz UOOSMWYVWHSJKN-CYBMUJFWSA-N 1 0 263.272 1.273 40 0 CDABRO CC(C)S(=O)(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC000096157353 390913332 /nfs/dbraw/zinc/91/33/32/390913332.db2.gz LWOGCZXPEUJSCR-UONOGXRCSA-N 1 0 280.393 1.296 40 0 CDABRO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](C)C1 ZINC000257322594 391649773 /nfs/dbraw/zinc/64/97/73/391649773.db2.gz WGPUJYJHJUBJSH-VIFPVBQESA-N 1 0 290.392 1.812 40 0 CDABRO CCc1nc2c(c(=O)n1C)CC[N@H+](CC1CCC1)CC2 ZINC000306132223 392104975 /nfs/dbraw/zinc/10/49/75/392104975.db2.gz LCCVMOJXRPDOIM-UHFFFAOYSA-N 1 0 275.396 1.543 40 0 CDABRO Cc1c(Cl)c(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)nn1C ZINC000335042611 150219573 /nfs/dbraw/zinc/21/95/73/150219573.db2.gz DINNVLZDBPGFMR-SFYZADRCSA-N 1 0 270.764 1.204 40 0 CDABRO COc1cc2ccc(=NN3CC[NH2+]CC3)[nH]c2cc1OC ZINC000033359455 286261600 /nfs/dbraw/zinc/26/16/00/286261600.db2.gz PXCLRSJWUUOYIA-UHFFFAOYSA-N 1 0 288.351 1.484 40 0 CDABRO CC(C)N(C(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1)C(C)C ZINC000004969157 170046981 /nfs/dbraw/zinc/04/69/81/170046981.db2.gz NCETZSSCAXGGDG-STQMWFEESA-N 1 0 256.390 1.789 40 0 CDABRO CN(C)C(=O)Oc1cc(O)cc([C@@H](O)C[NH2+]C(C)(C)C)c1 ZINC000005353075 170088934 /nfs/dbraw/zinc/08/89/34/170088934.db2.gz ZFYNJGOPBVNUDF-ZDUSSCGKSA-N 1 0 296.367 1.874 40 0 in-vitro CDABRO COc1ccc(C[NH2+]C(C)(C)CO)c(OC)c1OC ZINC000006883149 170252870 /nfs/dbraw/zinc/25/28/70/170252870.db2.gz CTYKUZOFNALFCH-UHFFFAOYSA-N 1 0 269.341 1.573 40 0 CDABRO C[N@@H+]1CCC[C@@H](CNC(=S)NCc2ccco2)C1 ZINC000009876514 170388180 /nfs/dbraw/zinc/38/81/80/170388180.db2.gz YEQARTZAKPVZCP-NSHDSACASA-N 1 0 267.398 1.586 40 0 CDABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCC[NH+](C)C ZINC000020495092 171226858 /nfs/dbraw/zinc/22/68/58/171226858.db2.gz ATZSRQYNRDHEOV-CQSZACIVSA-N 1 0 264.369 1.830 40 0 CDABRO COc1cc(OC)c([C@H](C[NH3+])N(C)C)c(OC)c1 ZINC000037376738 173165675 /nfs/dbraw/zinc/16/56/75/173165675.db2.gz KJCTXCBDMWSXEB-JTQLQIEISA-N 1 0 254.330 1.274 40 0 CDABRO COc1ccccc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000044513084 175188966 /nfs/dbraw/zinc/18/89/66/175188966.db2.gz GVFPVVSVXCGIRE-UHFFFAOYSA-N 1 0 263.341 1.898 40 0 CDABRO O=c1ccc(N2CCC[NH2+]CC2)nn1-c1ccccc1 ZINC000049455963 175480024 /nfs/dbraw/zinc/48/00/24/175480024.db2.gz SZAWBZMXPZIYCY-UHFFFAOYSA-N 1 0 270.336 1.032 40 0 CDABRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000071144713 176041370 /nfs/dbraw/zinc/04/13/70/176041370.db2.gz ZAZYHAUJWKKGPL-SNVBAGLBSA-N 1 0 288.800 1.570 40 0 CDABRO COCCn1cnnc1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000072359878 176377033 /nfs/dbraw/zinc/37/70/33/176377033.db2.gz DMQJZFPJQKXYRK-LBPRGKRZSA-N 1 0 252.362 1.512 40 0 CDABRO C[C@@]1(C(=O)N2CCOCC2)C[N@@H+](C2CCCCC2)CCO1 ZINC000072379389 176386415 /nfs/dbraw/zinc/38/64/15/176386415.db2.gz ROUPPRWLGRZFNR-INIZCTEOSA-N 1 0 296.411 1.269 40 0 CDABRO CC[NH+](CC)CC(=O)NCCc1cccc(C(=O)NC)c1 ZINC000077617050 177287264 /nfs/dbraw/zinc/28/72/64/177287264.db2.gz WDCGMXYDZGSKGY-UHFFFAOYSA-N 1 0 291.395 1.047 40 0 CDABRO CSc1nc(Cl)cc(N2CCC[C@H]([NH3+])C2)n1 ZINC000072203403 274189416 /nfs/dbraw/zinc/18/94/16/274189416.db2.gz QHEODEZITXKQGT-ZETCQYMHSA-N 1 0 258.778 1.779 40 0 CDABRO CC(C)C[NH+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096080969 275580352 /nfs/dbraw/zinc/58/03/52/275580352.db2.gz IYYWLGUGPXANNQ-VXGBXAGGSA-N 1 0 279.409 1.803 40 0 CDABRO CC[NH+](CC)CCN1C(=O)NC2(CCCCC2)C1=O ZINC000005759262 276098145 /nfs/dbraw/zinc/09/81/45/276098145.db2.gz ZFHUWBAYRMFSNE-UHFFFAOYSA-N 1 0 267.373 1.583 40 0 CDABRO C[C@@H](O)C[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC000096071878 278396147 /nfs/dbraw/zinc/39/61/47/278396147.db2.gz JXYKAAZUXKAMII-CQSZACIVSA-N 1 0 290.411 1.540 40 0 CDABRO CC[NH+]1CCC2(CC1)c1cc(C(=O)NC)ccc1NC2=O ZINC000105220483 279263070 /nfs/dbraw/zinc/26/30/70/279263070.db2.gz FAMFZAURVLCLGU-UHFFFAOYSA-N 1 0 287.363 1.352 40 0 CDABRO Cc1cc(-c2cc([C@H]3CCC[NH2+]C3)nc(C)n2)n[nH]1 ZINC000257217620 280284389 /nfs/dbraw/zinc/28/43/89/280284389.db2.gz CZUARZMZVJRMGU-NSHDSACASA-N 1 0 257.341 1.951 40 0 CDABRO C[C@@]12C[C@H]3CN(C(=O)c4ccno4)[C@@H]1CCC[C@@H]2[NH2+]3 ZINC000257260082 289231219 /nfs/dbraw/zinc/23/12/19/289231219.db2.gz LBGKMJSJCIEECD-ZKCLLBTKSA-N 1 0 261.325 1.420 40 0 CDABRO O=C(CC[NH+]1CCCCC1)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257230145 295473681 /nfs/dbraw/zinc/47/36/81/295473681.db2.gz GAZVDQPDWFQAQZ-HOCLYGCPSA-N 1 0 296.411 1.005 40 0 CDABRO Fc1cccc(N2CCC[C@]3(C[NH2+]CCO3)C2)c1 ZINC000096226764 303135048 /nfs/dbraw/zinc/13/50/48/303135048.db2.gz XRLWTTAPMUSJBB-AWEZNQCLSA-N 1 0 250.317 1.785 40 0 CDABRO [NH3+]CCN1C(=O)O[C@@H](Cc2ccc(Cl)cc2)C1=O ZINC000039320088 303381614 /nfs/dbraw/zinc/38/16/14/303381614.db2.gz AJDHZBROXHPFQN-JTQLQIEISA-N 1 0 268.700 1.189 40 0 CDABRO c1nc(N2CCOCC2)ncc1C[NH2+]C1CCCC1 ZINC000062717750 526601214 /nfs/dbraw/zinc/60/12/14/526601214.db2.gz NYRUDFAXNPCFEI-UHFFFAOYSA-N 1 0 262.357 1.345 40 0 CDABRO [NH3+][C@@H](Cc1ccccc1)c1nc([C@@H]2CCCO2)n[nH]1 ZINC000095534904 185007968 /nfs/dbraw/zinc/00/79/68/185007968.db2.gz CSEGQTQTHWYHON-RYUDHWBXSA-N 1 0 258.325 1.899 40 0 CDABRO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096040974 185068712 /nfs/dbraw/zinc/06/87/12/185068712.db2.gz OKFVGCIOKQWXMU-IHRRRGAJSA-N 1 0 294.420 1.816 40 0 CDABRO C(C1CC1)N1CCOCC12CC[NH+](CC1CC1)CC2 ZINC000096048920 185072333 /nfs/dbraw/zinc/07/23/33/185072333.db2.gz QTACBOBWQBUVDJ-UHFFFAOYSA-N 1 0 264.413 1.973 40 0 CDABRO O=C1C[C@@]2(CC[N@H+](CC3CC3)C2)CN1c1ccccn1 ZINC000096050812 185073774 /nfs/dbraw/zinc/07/37/74/185073774.db2.gz CNWSXTCOJHZHRU-MRXNPFEDSA-N 1 0 271.364 1.920 40 0 CDABRO c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)cn1 ZINC000096052082 185074659 /nfs/dbraw/zinc/07/46/59/185074659.db2.gz PKAXKJCIPPEIKT-HZPDHXFCSA-N 1 0 291.395 1.401 40 0 CDABRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)O1 ZINC000096055561 185075576 /nfs/dbraw/zinc/07/55/76/185075576.db2.gz WHMJKGJCEBSYAR-UPJWGTAASA-N 1 0 264.325 1.100 40 0 CDABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)o1 ZINC000096057469 185078230 /nfs/dbraw/zinc/07/82/30/185078230.db2.gz IQJBKHYCOSSOFV-RBSFLKMASA-N 1 0 292.379 1.798 40 0 CDABRO COCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cscn1 ZINC000096063971 185083896 /nfs/dbraw/zinc/08/38/96/185083896.db2.gz BOTQCHMKWAFTCY-RYUDHWBXSA-N 1 0 281.381 1.078 40 0 CDABRO COCC[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1cnn(C)c1 ZINC000096081913 185091228 /nfs/dbraw/zinc/09/12/28/185091228.db2.gz GORYBEZABZZINZ-SQWLQELKSA-N 1 0 292.427 1.827 40 0 CDABRO C[C@@H]1Cc2nnc(COc3cncc(Cl)c3)n2CC[NH2+]1 ZINC000585097275 342211500 /nfs/dbraw/zinc/21/15/00/342211500.db2.gz HPKOYHSXUXPQEC-SECBINFHSA-N 1 0 293.758 1.440 40 0 CDABRO COc1cccc([C@H](CO)[NH+]2CCCC2)c1OC ZINC000070453274 361970649 /nfs/dbraw/zinc/97/06/49/361970649.db2.gz ZPAOHEAMKXZJSP-LBPRGKRZSA-N 1 0 251.326 1.833 40 0 CDABRO Cc1cc(N2CC[NH+](C)CC2)nc2c(N)cccc12 ZINC000258138622 539100692 /nfs/dbraw/zinc/10/06/92/539100692.db2.gz ZAWAVTUXCUCSBT-UHFFFAOYSA-N 1 0 256.353 1.877 40 0 CDABRO Cc1ccc(OC[C@@]2(O)C[N@@H+](C3CCC3)CC[C@@H]2O)cc1 ZINC000585283176 342258548 /nfs/dbraw/zinc/25/85/48/342258548.db2.gz QRYNBWDHUDLOIY-IRXDYDNUSA-N 1 0 291.391 1.724 40 0 CDABRO Cc1ccc(OC[C@@]2(O)COCC[N@@H+](C3CCC3)C2)cc1 ZINC000585284281 342258564 /nfs/dbraw/zinc/25/85/64/342258564.db2.gz WOGSNWUXCVHXBM-KRWDZBQOSA-N 1 0 291.391 1.990 40 0 CDABRO CCCCC[C@]1(O)CCN(C(=O)/C=C/C[NH+](C)C)C[C@@H]1O ZINC000585289265 342258740 /nfs/dbraw/zinc/25/87/40/342258740.db2.gz HAHSRTLDHQTTRD-MNJDHSKXSA-N 1 0 298.427 1.009 40 0 CDABRO Cc1noc(C)c1CN1CCOCC12CC[NH2+]CC2 ZINC000306141143 201844872 /nfs/dbraw/zinc/84/48/72/201844872.db2.gz VMDVSAHIAJGOCO-UHFFFAOYSA-N 1 0 265.357 1.246 40 0 CDABRO COCc1noc([C@@H](C)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000333449452 362994634 /nfs/dbraw/zinc/99/46/34/362994634.db2.gz RKEPFNQLFHPMRT-NWDGAFQWSA-N 1 0 294.399 1.693 40 0 CDABRO CC[NH+](CC)CCSc1ncnc2[nH]cnc21 ZINC000001722080 355949674 /nfs/dbraw/zinc/94/96/74/355949674.db2.gz GYQUTMCSVJOXJW-UHFFFAOYSA-N 1 0 251.359 1.787 40 0 CDABRO Cc1cc(C)cc(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000004583604 356037611 /nfs/dbraw/zinc/03/76/11/356037611.db2.gz XNUUECZHNMJWMF-UHFFFAOYSA-N 1 0 277.368 1.310 40 0 CDABRO CC1CC[NH+](CC(=O)N[C@H](CO)c2ccccc2)CC1 ZINC000225560405 356165243 /nfs/dbraw/zinc/16/52/43/356165243.db2.gz FFKWMUOFZJMDHQ-OAHLLOKOSA-N 1 0 276.380 1.568 40 0 CDABRO CCOC(=O)[C@@H](C[NH2+]C)Cc1ccc(OC)cc1 ZINC000012649767 356316004 /nfs/dbraw/zinc/31/60/04/356316004.db2.gz PASCYLAFGHJSHW-GFCCVEGCSA-N 1 0 251.326 1.636 40 0 CDABRO CC(C)Oc1cc(CCC(=O)N[C@@H]2CCC[N@H+](C)C2)on1 ZINC000019450527 356485509 /nfs/dbraw/zinc/48/55/09/356485509.db2.gz KVPBTGWGXRMVJM-GFCCVEGCSA-N 1 0 295.383 1.605 40 0 CDABRO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc2c(c1)ncn2C ZINC000019718641 356496812 /nfs/dbraw/zinc/49/68/12/356496812.db2.gz VAJIYARKCGEFRN-LBPRGKRZSA-N 1 0 286.379 1.787 40 0 CDABRO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000019719143 356497105 /nfs/dbraw/zinc/49/71/05/356497105.db2.gz KKPKFIYKTHWUAD-CQSZACIVSA-N 1 0 289.379 1.791 40 0 CDABRO Cc1c(C[N@@H+]2CC[C@H](C(=O)NC3CCCC3)C2)cnn1C ZINC000019747835 356499277 /nfs/dbraw/zinc/49/92/77/356499277.db2.gz CMSNPIJHMGFNMH-ZDUSSCGKSA-N 1 0 290.411 1.609 40 0 CDABRO COc1cc2c(c(Br)c1O)C[NH2+]CC2 ZINC000024717784 356660288 /nfs/dbraw/zinc/66/02/88/356660288.db2.gz WEYGYSPOSHISSP-UHFFFAOYSA-N 1 0 258.115 1.809 40 0 CDABRO CC[N@H+](CCO)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393512 356990156 /nfs/dbraw/zinc/99/01/56/356990156.db2.gz MHKVOFXLYJGGFP-MRXNPFEDSA-N 1 0 262.397 1.965 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000079409959 356992698 /nfs/dbraw/zinc/99/26/98/356992698.db2.gz HLTWTBKSJBHYQY-QWRGUYRKSA-N 1 0 285.388 1.095 40 0 CDABRO [NH3+]CCN1CCCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000079411418 356993952 /nfs/dbraw/zinc/99/39/52/356993952.db2.gz RBYHRCVNXAGCJY-OAHLLOKOSA-N 1 0 291.395 1.726 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(Br)nc1 ZINC000079421654 356996711 /nfs/dbraw/zinc/99/67/11/356996711.db2.gz DTFWGQXIWVTTQB-JTQLQIEISA-N 1 0 286.173 1.444 40 0 CDABRO C[C@@H](C[NH2+]CCCN1CCOCC1)C(=O)OC(C)(C)C ZINC000047219060 357153795 /nfs/dbraw/zinc/15/37/95/357153795.db2.gz JBJFBZHMKBAIFI-ZDUSSCGKSA-N 1 0 286.416 1.276 40 0 CDABRO C[NH+](C)CCCNC(=O)CCc1ccccc1F ZINC000047339972 357156180 /nfs/dbraw/zinc/15/61/80/357156180.db2.gz QWEPCXRNTGIXBJ-UHFFFAOYSA-N 1 0 252.333 1.826 40 0 CDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)cc1F ZINC000054369905 357318517 /nfs/dbraw/zinc/31/85/17/357318517.db2.gz AIPACXYDYMAOJO-QMMMGPOBSA-N 1 0 256.708 1.913 40 0 CDABRO N#[N+]c1ccc(Br)cc1-c1nc(N)nc(N)n1 ZINC000005053096 283260373 /nfs/dbraw/zinc/26/03/73/283260373.db2.gz GETGOFNWKWBLDR-UHFFFAOYSA-N 1 0 293.108 1.950 40 0 CDABRO OC1CCN(c2cccc(C[C@@H]3CCC[NH2+]CC3)n2)CC1 ZINC000072364930 357830885 /nfs/dbraw/zinc/83/08/85/357830885.db2.gz QFCAUZUYVIVZIN-CQSZACIVSA-N 1 0 289.423 1.975 40 0 CDABRO CO[C@@H]1CC[C@H]2[C@H]1OCCN2CC[NH+]1CCCCC1 ZINC000096065741 358707115 /nfs/dbraw/zinc/70/71/15/358707115.db2.gz ZMYWZOLLLLJVGB-RRFJBIMHSA-N 1 0 268.401 1.351 40 0 CDABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2Cc2cccnc2)cn1 ZINC000096200896 358718640 /nfs/dbraw/zinc/71/86/40/358718640.db2.gz NQJRZQGYZPQTOT-SJORKVTESA-N 1 0 299.422 1.562 40 0 CDABRO CN(C)C1=NOC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096240286 358724716 /nfs/dbraw/zinc/72/47/16/358724716.db2.gz OYYMWMNCLRHXIC-UHFFFAOYSA-N 1 0 274.368 1.712 40 0 CDABRO Fc1cnc(N2CCO[C@H]3C[N@H+](CC4CCC4)C[C@H]32)nc1 ZINC000096248861 358726874 /nfs/dbraw/zinc/72/68/74/358726874.db2.gz QPXMYRIRWRLUGX-KGLIPLIRSA-N 1 0 292.358 1.305 40 0 CDABRO CN(C)c1ncnc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096255384 358728380 /nfs/dbraw/zinc/72/83/80/358728380.db2.gz RNYSYZRILWJNCU-UHFFFAOYSA-N 1 0 272.352 1.736 40 0 CDABRO COCC[N@@H+]1CCc2ncnc(NC3CC3)c2CC1 ZINC000096255490 358728770 /nfs/dbraw/zinc/72/87/70/358728770.db2.gz MEUQXWOQJNUISO-UHFFFAOYSA-N 1 0 262.357 1.098 40 0 CDABRO c1coc(CN2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)c1 ZINC000107252162 359017762 /nfs/dbraw/zinc/01/77/62/359017762.db2.gz FSGRPDZZEFBKGQ-IJEWVQPXSA-N 1 0 276.380 1.822 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CCS[C@@H]2C1 ZINC000110915692 359155822 /nfs/dbraw/zinc/15/58/22/359155822.db2.gz NHMOWLFHCDJJHH-NXEZZACHSA-N 1 0 258.387 1.701 40 0 CDABRO CO[C@@H](C[NH2+][C@@H](C(N)=O)c1ccccc1)C(C)C ZINC000073410588 360459951 /nfs/dbraw/zinc/45/99/51/360459951.db2.gz ZGAWJFLUXPHQQZ-QWHCGFSZSA-N 1 0 250.342 1.474 40 0 CDABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](CC3CC3)C[C@H]21)N1CCCC1 ZINC000096058271 296039043 /nfs/dbraw/zinc/03/90/43/296039043.db2.gz NERABSQRMSCSFL-OWCLPIDISA-N 1 0 292.423 1.746 40 0 CDABRO CS[C@H]1CCC[C@H]1[N@H+](C)CC(=O)N(C)C1CC1 ZINC000076147573 367003197 /nfs/dbraw/zinc/00/31/97/367003197.db2.gz KCPWTQJIEKOVMT-NEPJUHHUSA-N 1 0 256.415 1.823 40 0 CDABRO Cc1cscc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333117840 205044425 /nfs/dbraw/zinc/04/44/25/205044425.db2.gz HRIAOMJSBJVYRI-VIFPVBQESA-N 1 0 255.343 1.166 40 0 CDABRO CC(C)CCOCC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000079355216 374795931 /nfs/dbraw/zinc/79/59/31/374795931.db2.gz KGMBOMOHSGPTHB-AWEZNQCLSA-N 1 0 283.416 1.539 40 0 CDABRO Cc1nn(C)c2c1nc(C1CC1)nc2NCCC[NH+](C)C ZINC000057356002 375421549 /nfs/dbraw/zinc/42/15/49/375421549.db2.gz JPMYOUFGFSEDKV-UHFFFAOYSA-N 1 0 288.399 1.913 40 0 CDABRO CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000230177900 375532527 /nfs/dbraw/zinc/53/25/27/375532527.db2.gz DIIJGYMCKOAPRN-MGPQQGTHSA-N 1 0 267.373 1.163 40 0 CDABRO Cc1cnn(C)c1C[NH2+]Cc1cnn(CCF)c1 ZINC000256054218 190004762 /nfs/dbraw/zinc/00/47/62/190004762.db2.gz VMJKQMHAEHJYRZ-UHFFFAOYSA-N 1 0 251.309 1.184 40 0 CDABRO O=C(CCCn1ccnc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257200881 190011109 /nfs/dbraw/zinc/01/11/09/190011109.db2.gz AFFVUJUROCICSF-MRXNPFEDSA-N 1 0 298.390 1.836 40 0 CDABRO Cc1c[nH]c([C@@H]2CCC[N@@H+]2CC2(O)CCOCC2)n1 ZINC000257206844 190011853 /nfs/dbraw/zinc/01/18/53/190011853.db2.gz BFCIANYOSLSYDU-LBPRGKRZSA-N 1 0 265.357 1.397 40 0 CDABRO CN(C(=O)c1cncs1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257218070 190013650 /nfs/dbraw/zinc/01/36/50/190013650.db2.gz DBTLQTIVHGURAC-NQBHXWOUSA-N 1 0 295.408 1.203 40 0 CDABRO CCOC[C@@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217978656 375770485 /nfs/dbraw/zinc/77/04/85/375770485.db2.gz WWPMYTOKVNMVIW-STQMWFEESA-N 1 0 269.366 1.214 40 0 CDABRO Cn1cc(CN2CCC[C@@]3(C)[C@H]2CCC[N@@H+]3C)cn1 ZINC000257278897 190025542 /nfs/dbraw/zinc/02/55/42/190025542.db2.gz OECOGBMJSPSETA-CABCVRRESA-N 1 0 262.401 1.869 40 0 CDABRO CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CC[NH2+]C2 ZINC000257288479 190026734 /nfs/dbraw/zinc/02/67/34/190026734.db2.gz PUISHZVIYUKBBV-BZUAXINKSA-N 1 0 273.380 1.158 40 0 CDABRO Cn1nccc1-c1cc(C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000257287345 190027276 /nfs/dbraw/zinc/02/72/76/190027276.db2.gz PPNILNOXVBNLQA-ZDUSSCGKSA-N 1 0 256.353 1.976 40 0 CDABRO O=c1cc(C[C@H]2COCC[N@H+](Cc3ccccc3)C2)nc[nH]1 ZINC000257321247 190033412 /nfs/dbraw/zinc/03/34/12/190033412.db2.gz WAVCABKZBUJQQT-OAHLLOKOSA-N 1 0 299.374 1.873 40 0 CDABRO c1cnc(Nc2nccc(C3CC[NH2+]CC3)n2)cn1 ZINC000257326479 190034621 /nfs/dbraw/zinc/03/46/21/190034621.db2.gz WXJBVNRWMYVFQF-UHFFFAOYSA-N 1 0 256.313 1.477 40 0 CDABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000257335595 190036671 /nfs/dbraw/zinc/03/66/71/190036671.db2.gz YKYZQLAQXQASCO-CYBMUJFWSA-N 1 0 282.409 1.957 40 0 CDABRO CC[N@@H+]1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000334824749 377671386 /nfs/dbraw/zinc/67/13/86/377671386.db2.gz MOUUWWAEWODECL-OAHLLOKOSA-N 1 0 258.365 1.612 40 0 CDABRO CC(C)(CNC(=O)c1cc[n+]([O-])cc1)[NH+]1CCCCC1 ZINC000041298090 379362204 /nfs/dbraw/zinc/36/22/04/379362204.db2.gz CRULLSNFFSXBCZ-UHFFFAOYSA-N 1 0 277.368 1.314 40 0 CDABRO CN(C)C(=O)c1cc2c(nc1NCC1CC1)CC[NH2+]CC2 ZINC000096260580 256838038 /nfs/dbraw/zinc/83/80/38/256838038.db2.gz NNZUGVVQITVZTB-UHFFFAOYSA-N 1 0 288.395 1.294 40 0 CDABRO CC(C)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)OC(C)(C)C ZINC000001581736 390139683 /nfs/dbraw/zinc/13/96/83/390139683.db2.gz MXDWBAYBLVBWAW-NXEZZACHSA-N 1 0 258.362 1.206 40 0 CDABRO Cc1nn(C)c(C)c1-c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000095095286 184942683 /nfs/dbraw/zinc/94/26/83/184942683.db2.gz VOHNPLLJRLOJGG-SNVBAGLBSA-N 1 0 261.329 1.554 40 0 CDABRO CC(=O)N(C1CC1)C1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000079418125 390421369 /nfs/dbraw/zinc/42/13/69/390421369.db2.gz GUXKDOBCLBMDOV-PIMMBPRGSA-N 1 0 295.427 1.408 40 0 CDABRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ncc(C)s2)CC1 ZINC000019527888 391324490 /nfs/dbraw/zinc/32/44/90/391324490.db2.gz OTCSBMDIVGIYBH-NSHDSACASA-N 1 0 282.413 1.416 40 0 CDABRO C[N@@H+]1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2O)C1 ZINC000004102420 391498958 /nfs/dbraw/zinc/49/89/58/391498958.db2.gz OYSGWKOGUVOGFQ-RBOXIYTFSA-N 1 0 273.332 1.547 40 0 in-vitro CDABRO Fc1cccc(NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC000306122985 392105752 /nfs/dbraw/zinc/10/57/52/392105752.db2.gz ABJPOERBBNAPOS-SWLSCSKDSA-N 1 0 280.343 1.633 40 0 CDABRO [NH3+][C@H](Cc1ccccc1)c1nc(Cn2cccn2)n[nH]1 ZINC000095534873 393149524 /nfs/dbraw/zinc/14/95/24/393149524.db2.gz DCAIXEXLOGVKAO-GFCCVEGCSA-N 1 0 268.324 1.292 40 0 CDABRO O=C([C@@H]1CCCO1)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426473 304334845 /nfs/dbraw/zinc/33/48/45/304334845.db2.gz BXWAOZFKYDPKHU-JSGCOSHPSA-N 1 0 252.358 1.158 40 0 CDABRO CC[NH+](CC)CCCNC(=S)NCc1cn(C)nc1C ZINC000006462745 170202869 /nfs/dbraw/zinc/20/28/69/170202869.db2.gz MLMPICBHFCTWGG-UHFFFAOYSA-N 1 0 297.472 1.425 40 0 CDABRO CN(C)C(=O)c1ccc(NC(=S)NCC[NH+](C)C)cc1 ZINC000007586162 170291444 /nfs/dbraw/zinc/29/14/44/170291444.db2.gz FKEIZWZPBFKZLW-UHFFFAOYSA-N 1 0 294.424 1.236 40 0 CDABRO CC[NH+]1CCN([C@H](CC(C)C)c2nnnn2C(C)C)CC1 ZINC000020140394 171026899 /nfs/dbraw/zinc/02/68/99/171026899.db2.gz FMDXDUHUBMRBHX-CQSZACIVSA-N 1 0 294.447 1.979 40 0 CDABRO COc1ccc(-c2n[nH]c3c2C[NH2+]CC3)cc1OC ZINC000020221840 171083665 /nfs/dbraw/zinc/08/36/65/171083665.db2.gz ACDKBVSYIDXPDC-UHFFFAOYSA-N 1 0 259.309 1.740 40 0 CDABRO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000020269852 171125375 /nfs/dbraw/zinc/12/53/75/171125375.db2.gz NHAHPKYHURIBTP-LBPRGKRZSA-N 1 0 276.336 1.801 40 0 CDABRO COc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000022165630 171365734 /nfs/dbraw/zinc/36/57/34/171365734.db2.gz HUYPIKDZTWEIMM-ZOWXZIJZSA-N 1 0 294.395 1.813 40 0 CDABRO Nc1ncncc1-c1noc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000035426067 172193850 /nfs/dbraw/zinc/19/38/50/172193850.db2.gz UJSFTAWFJWRZNC-NSHDSACASA-N 1 0 286.339 1.656 40 0 biogenic,in-vitro CDABRO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccc(F)cc1 ZINC000054290265 175556878 /nfs/dbraw/zinc/55/68/78/175556878.db2.gz OELIDEZVSVPEMT-GFCCVEGCSA-N 1 0 250.317 1.832 40 0 CDABRO Cc1cc(CCC(=O)N(C)C)nc(C2CC[NH+](C)CC2)n1 ZINC000072366401 176380875 /nfs/dbraw/zinc/38/08/75/176380875.db2.gz AVQCVAYYRWEQIT-UHFFFAOYSA-N 1 0 290.411 1.615 40 0 CDABRO Cc1nc(C(=O)NC(C)C)cc(C2CC[NH+](C)CC2)n1 ZINC000072387048 176392632 /nfs/dbraw/zinc/39/26/32/176392632.db2.gz OTJQHGUMNNEQCB-UHFFFAOYSA-N 1 0 276.384 1.732 40 0 CDABRO OCCCn1cc(C[N@@H+]2CCC[C@H](O)C2)c2ccccc21 ZINC000072397869 176395701 /nfs/dbraw/zinc/39/57/01/176395701.db2.gz UVXZNOJGBSLHPF-HNNXBMFYSA-N 1 0 288.391 1.980 40 0 CDABRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccnc(F)c2)C1 ZINC000077957493 177312679 /nfs/dbraw/zinc/31/26/79/177312679.db2.gz OWEZPQRLKRHDLB-ZDUSSCGKSA-N 1 0 296.342 1.734 40 0 CDABRO COc1ccc(CC(=O)NCC[NH+](C)C)cc1C ZINC000074959613 260288506 /nfs/dbraw/zinc/28/85/06/260288506.db2.gz WVYAECMCCIYXBM-UHFFFAOYSA-N 1 0 250.342 1.224 40 0 CDABRO CCOc1c(CNCC[NH2+]C[C@H](C)O)cccc1OC ZINC000022075956 262344406 /nfs/dbraw/zinc/34/44/06/262344406.db2.gz REEIZOLRHJZZQZ-LBPRGKRZSA-N 1 0 282.384 1.154 40 0 CDABRO O=C(Nc1ccccc1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000096225178 265335905 /nfs/dbraw/zinc/33/59/05/265335905.db2.gz XLZCUKQOQYDCOH-CQSZACIVSA-N 1 0 259.309 1.524 40 0 CDABRO CCN1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1=O ZINC000333526549 276414225 /nfs/dbraw/zinc/41/42/25/276414225.db2.gz IDAKOMFEEHRMBA-LERXQTSPSA-N 1 0 259.353 1.342 40 0 CDABRO CO[C@@H]1CCCC[C@@H](N(C)C(=O)C[NH+]2CCCCC2)[C@H]1O ZINC000257263338 277282383 /nfs/dbraw/zinc/28/23/83/277282383.db2.gz LPKKLUSXJBGHAK-IIAWOOMASA-N 1 0 298.427 1.249 40 0 CDABRO CC(C)(C)C(=O)Nc1ccc2n(c1=O)C[C@@H]1C[NH2+]C[C@H]2C1 ZINC000005396435 278294301 /nfs/dbraw/zinc/29/43/01/278294301.db2.gz RFUPGAVQVMPKCW-WDEREUQCSA-N 1 0 289.379 1.540 40 0 biogenic,in-vitro CDABRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCN(CC[NH3+])C1 ZINC000079408579 278377359 /nfs/dbraw/zinc/37/73/59/278377359.db2.gz ARQLPGGJOUMGKO-LBPRGKRZSA-N 1 0 269.389 1.419 40 0 CDABRO CC1CC[NH+]([C@@H](C(=O)NC(N)=O)c2ccccc2)CC1 ZINC000057406334 278549839 /nfs/dbraw/zinc/54/98/39/278549839.db2.gz CTVVQLVDQLGYOM-CYBMUJFWSA-N 1 0 275.352 1.655 40 0 CDABRO FC1(F)CC[NH2+]C[C@]12CCN(c1ncccn1)C2 ZINC000096078142 279453394 /nfs/dbraw/zinc/45/33/94/279453394.db2.gz SAMKBMJSKJFASG-NSHDSACASA-N 1 0 254.284 1.302 40 0 CDABRO O=C1C[C@@]2(CC[NH2+]C2)CN1c1ccc2c(c1)OCCO2 ZINC000306126989 280270753 /nfs/dbraw/zinc/27/07/53/280270753.db2.gz FKYUQBLTWGGOPE-OAHLLOKOSA-N 1 0 274.320 1.174 40 0 CDABRO Cc1cccc(NCC2(S(N)(=O)=O)CCC2)n1 ZINC000721536052 842841208 /nfs/dbraw/zinc/84/12/08/842841208.db2.gz RNKMZKCTLCORLH-UHFFFAOYSA-N 1 0 255.343 1.013 40 0 CDABRO c1cnc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)nc1 ZINC000096048402 185072707 /nfs/dbraw/zinc/07/27/07/185072707.db2.gz DGERXOLUBVBWDX-ZBFHGGJFSA-N 1 0 288.395 1.922 40 0 CDABRO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096057320 185077787 /nfs/dbraw/zinc/07/77/87/185077787.db2.gz NTAWNVJEYFKPLN-MCIONIFRSA-N 1 0 294.420 1.958 40 0 CDABRO CNC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc(C)s2)C1 ZINC000096057646 185077978 /nfs/dbraw/zinc/07/79/78/185077978.db2.gz VNASTJAJLLAAFJ-IACUBPJLSA-N 1 0 294.420 1.782 40 0 CDABRO Cn1cc(C[C@H]2[C@H](O)CC[N@@H+]2Cc2cccs2)cn1 ZINC000096061611 185082215 /nfs/dbraw/zinc/08/22/15/185082215.db2.gz GVMWDQLQXASADU-UONOGXRCSA-N 1 0 277.393 1.660 40 0 CDABRO c1cc(-c2nnn3c2CO[C@@H](C[NH2+]CC2CC2)C3)cs1 ZINC000096061058 185082244 /nfs/dbraw/zinc/08/22/44/185082244.db2.gz KUEIHHOXFIXVGM-LBPRGKRZSA-N 1 0 290.392 1.905 40 0 CDABRO O=C1C[C@@H](c2cccnc2)C2(CC[NH+](CC3CC3)CC2)N1 ZINC000096061474 185083027 /nfs/dbraw/zinc/08/30/27/185083027.db2.gz IEJKTZMJNPAVGR-HNNXBMFYSA-N 1 0 285.391 1.930 40 0 CDABRO CCOCC(=O)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096064028 185083981 /nfs/dbraw/zinc/08/39/81/185083981.db2.gz VXLFBMKHSFVVRJ-HUUCEWRRSA-N 1 0 289.379 1.293 40 0 CDABRO O=C1CCC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)N1 ZINC000096076996 185089171 /nfs/dbraw/zinc/08/91/71/185089171.db2.gz IJBCBPKCTVCSFV-HNNXBMFYSA-N 1 0 259.353 1.716 40 0 CDABRO CCC(CC)C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)COC)C1 ZINC000096108411 185099402 /nfs/dbraw/zinc/09/94/02/185099402.db2.gz YTXVNLPNQBXCEI-ZBFHGGJFSA-N 1 0 298.427 1.134 40 0 CDABRO O=C(N[C@@H]1C[NH2+]C[C@@H]1CF)OCc1ccccc1 ZINC000083317123 178380637 /nfs/dbraw/zinc/38/06/37/178380637.db2.gz UNQLVWCIVGSREZ-NWDGAFQWSA-N 1 0 252.289 1.470 40 0 CDABRO CCOCC(=O)N1Cc2ccnn2[C@H](C[NH+](CC)CC)C1 ZINC000585095334 342211459 /nfs/dbraw/zinc/21/14/59/342211459.db2.gz NUSXHKKLWWBDPZ-CQSZACIVSA-N 1 0 294.399 1.145 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)C2CC(F)C2)C[C@@H]2CCCO[C@H]12 ZINC000585108511 342213241 /nfs/dbraw/zinc/21/32/41/342213241.db2.gz PWTFYURJWDGGGU-MGYRSQIZSA-N 1 0 284.375 1.302 40 0 CDABRO CC[NH+](CC)CCNC(=O)c1nn(C(C)C)cc1N ZINC000685936761 539099056 /nfs/dbraw/zinc/09/90/56/539099056.db2.gz WGFGBYUUZJNALE-UHFFFAOYSA-N 1 0 267.377 1.118 40 0 CDABRO c1cn(C[C@H]2CC[C@@H]3[C@@H]2OCCN3Cc2ccccn2)cn1 ZINC000248078759 362148886 /nfs/dbraw/zinc/14/88/86/362148886.db2.gz HYCNUIXRCHWTES-DJIMGWMZSA-N 1 0 298.390 1.958 40 0 CDABRO CC(=O)N1CCN(c2cccc([C@H]3CCC[NH2+]3)n2)CC1 ZINC000072386749 136481478 /nfs/dbraw/zinc/48/14/78/136481478.db2.gz XOXLOAJTMXGGMC-CYBMUJFWSA-N 1 0 274.368 1.175 40 0 CDABRO CCC[N@@H+]1CCN(C)C(=O)[C@@H](Cc2ccccn2)C1 ZINC000019700823 348736048 /nfs/dbraw/zinc/73/60/48/348736048.db2.gz UKBUOKHPVYGZNW-ZDUSSCGKSA-N 1 0 261.369 1.424 40 0 CDABRO [NH3+][C@H](C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)C1CCC1 ZINC000333236621 362962680 /nfs/dbraw/zinc/96/26/80/362962680.db2.gz DCBLETCAWHEMFF-LJISPDSOSA-N 1 0 256.349 1.568 40 0 CDABRO CNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cncn1C)C2 ZINC000108535807 186222365 /nfs/dbraw/zinc/22/23/65/186222365.db2.gz RBLNWRQCEDSKPF-HIFRSBDPSA-N 1 0 276.384 1.158 40 0 CDABRO [NH3+]CCSc1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000256054735 350909411 /nfs/dbraw/zinc/90/94/11/350909411.db2.gz XOAJUVKOZGKSEK-UHFFFAOYSA-N 1 0 261.350 1.394 40 0 CDABRO C[C@@H]1C[C@@H](NCc2nncn2-c2ccccc2)CC[N@@H+]1C ZINC000152621872 188032271 /nfs/dbraw/zinc/03/22/71/188032271.db2.gz BNZSPDSGMKDABE-KGLIPLIRSA-N 1 0 285.395 1.840 40 0 CDABRO C[NH+](C)CCCNc1c2c(nc3ncnn31)CCCC2 ZINC000004516981 363247103 /nfs/dbraw/zinc/24/71/03/363247103.db2.gz LFRVFOIEJDYGPV-UHFFFAOYSA-N 1 0 274.372 1.367 40 0 CDABRO CCC[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000019503473 356487441 /nfs/dbraw/zinc/48/74/41/356487441.db2.gz XTXJLVBDAAVWGE-UHFFFAOYSA-N 1 0 286.379 1.451 40 0 CDABRO CCN(C(=O)c1cnc(NC)nc1)C1CC[NH+](C)CC1 ZINC000019656107 356494284 /nfs/dbraw/zinc/49/42/84/356494284.db2.gz OVJMUYATBCVKHZ-UHFFFAOYSA-N 1 0 277.372 1.075 40 0 CDABRO c1cc2cc(C[NH2+]CCN3CCOCC3)ccc2[nH]1 ZINC000023292053 356639735 /nfs/dbraw/zinc/63/97/35/356639735.db2.gz IZCFDRKVDBKMTI-UHFFFAOYSA-N 1 0 259.353 1.590 40 0 CDABRO CN(CC[NH3+])[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393786 356989922 /nfs/dbraw/zinc/98/99/22/356989922.db2.gz HSKAPJWLYWCIGA-HNNXBMFYSA-N 1 0 291.395 1.678 40 0 CDABRO CN(C)c1nccnc1[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000072364354 357830974 /nfs/dbraw/zinc/83/09/74/357830974.db2.gz ZKXNTVNVDAXERO-ZDUSSCGKSA-N 1 0 276.384 1.859 40 0 CDABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397378 357832946 /nfs/dbraw/zinc/83/29/46/357832946.db2.gz BCHDRTJILNPJNE-OKILXGFUSA-N 1 0 290.411 1.791 40 0 CDABRO COCCO[C@@H]1C[C@H]2CN(Cc3ccccn3)CC[N@@H+]2C1 ZINC000096183181 358713299 /nfs/dbraw/zinc/71/32/99/358713299.db2.gz WWROIWGKUFBFHM-JKSUJKDBSA-N 1 0 291.395 1.003 40 0 CDABRO CCc1ccc(C[N@@H+]2C[C@H](OC)[C@H]3COC[C@H]32)o1 ZINC000096184959 358714161 /nfs/dbraw/zinc/71/41/61/358714161.db2.gz LVHAVYWHLMNWBD-MJBXVCDLSA-N 1 0 251.326 1.688 40 0 CDABRO C[C@H]1CCCN1C(=O)c1[nH]nc2c1C[N@H+](CC1CC1)CC2 ZINC000096187415 358714895 /nfs/dbraw/zinc/71/48/95/358714895.db2.gz KUYYWMWOXWKPEM-NSHDSACASA-N 1 0 288.395 1.802 40 0 CDABRO Cn1c(=O)ccc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096196633 358716296 /nfs/dbraw/zinc/71/62/96/358716296.db2.gz VKTSMQBIXITCKW-UHFFFAOYSA-N 1 0 258.321 1.579 40 0 CDABRO C[C@@H]1N(C)C(=O)COC12CC[NH+](Cc1cccs1)CC2 ZINC000096201499 358718256 /nfs/dbraw/zinc/71/82/56/358718256.db2.gz KTPJYPUMOUGRAC-LBPRGKRZSA-N 1 0 294.420 1.960 40 0 CDABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(c1ncc(F)cn1)CC2 ZINC000096206928 358720022 /nfs/dbraw/zinc/72/00/22/358720022.db2.gz ZXUCPKUGVAUDEW-ZDUSSCGKSA-N 1 0 294.374 1.553 40 0 CDABRO CCC(=O)N1C[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@@H]2C1 ZINC000096246157 358725941 /nfs/dbraw/zinc/72/59/41/358725941.db2.gz DHSMBPFOBVLFKC-UONOGXRCSA-N 1 0 291.395 1.982 40 0 CDABRO Cc1ncnc2c1CC[N@H+](Cc1ccncc1)CC2 ZINC000096254960 358727742 /nfs/dbraw/zinc/72/77/42/358727742.db2.gz SJEPCBJXDJZIMY-UHFFFAOYSA-N 1 0 254.337 1.781 40 0 CDABRO CCOc1ncnc2c1CC[N@@H+]([C@H]1CCOC1)CC2 ZINC000096255625 358728867 /nfs/dbraw/zinc/72/88/67/358728867.db2.gz HYWBIHHQCXNICM-NSHDSACASA-N 1 0 263.341 1.065 40 0 CDABRO COc1ccc(-c2nc3c(c(=O)[nH]2)CC[NH2+]C3)cc1 ZINC000132010140 361179441 /nfs/dbraw/zinc/17/94/41/361179441.db2.gz SBWWLNQWKPPZIQ-UHFFFAOYSA-N 1 0 257.293 1.091 40 0 CDABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=[NH2+])C2)cc1 ZINC000203598904 364848528 /nfs/dbraw/zinc/84/85/28/364848528.db2.gz VKBSONLEBBHWSW-LLVKDONJSA-N 1 0 281.381 1.332 40 0 CDABRO CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000199768908 189683910 /nfs/dbraw/zinc/68/39/10/189683910.db2.gz CPCCORHENBIWIA-YUMQZZPRSA-N 1 0 268.279 1.991 40 0 CDABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218250104 365043908 /nfs/dbraw/zinc/04/39/08/365043908.db2.gz ARXKOCAAFLCZJU-QLFBSQMISA-N 1 0 297.420 1.487 40 0 CDABRO O[C@@H](C[C@H]1CCC[N@@H+]1CCn1cncn1)c1ccccc1 ZINC000076106978 366980680 /nfs/dbraw/zinc/98/06/80/366980680.db2.gz WRPKONRKGMSSNK-CVEARBPZSA-N 1 0 286.379 1.866 40 0 CDABRO [NH3+]C[C@@H](c1ccccc1OC(F)(F)F)N1CCOCC1 ZINC000019254764 367280983 /nfs/dbraw/zinc/28/09/83/367280983.db2.gz LCZGKZFCSMWXEN-NSHDSACASA-N 1 0 290.285 1.917 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218468319 372828371 /nfs/dbraw/zinc/82/83/71/372828371.db2.gz KVMCSSHMWXSLEN-GARJFASQSA-N 1 0 259.758 1.568 40 0 CDABRO CN(C)c1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000027932863 375162370 /nfs/dbraw/zinc/16/23/70/375162370.db2.gz ZBMPDEROBVWRCX-OAHLLOKOSA-N 1 0 273.380 1.673 40 0 CDABRO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000257244159 190019172 /nfs/dbraw/zinc/01/91/72/190019172.db2.gz IKDRWRMUHCNPSL-ZDUSSCGKSA-N 1 0 273.384 1.906 40 0 CDABRO Cc1nccn1-c1nccnc1CC1CC[NH2+]CC1 ZINC000257250053 190020177 /nfs/dbraw/zinc/02/01/77/190020177.db2.gz JKVHGLQFWSMTGS-UHFFFAOYSA-N 1 0 257.341 1.513 40 0 CDABRO CS(=O)(=O)[C@H]1[C@@H]([NH3+])[C@@H]1c1ccc(Br)cc1 ZINC000218197585 375805529 /nfs/dbraw/zinc/80/55/29/375805529.db2.gz BCAYKDOSAQCOBW-LPEHRKFASA-N 1 0 290.182 1.287 40 0 CDABRO CNC(=O)C[N@@H+]1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257273879 190024671 /nfs/dbraw/zinc/02/46/71/190024671.db2.gz NIOSZRZJFKYLQH-CYBMUJFWSA-N 1 0 283.375 1.845 40 0 CDABRO COC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[N@H+](C)C1 ZINC000257294767 190028351 /nfs/dbraw/zinc/02/83/51/190028351.db2.gz QVQCSINPPKBWGX-LBPRGKRZSA-N 1 0 280.343 1.476 40 0 CDABRO CC(C)c1ccc(OC[C@H](O)C[NH2+]C(C)(C)CO)cc1 ZINC000026781295 376319578 /nfs/dbraw/zinc/31/95/78/376319578.db2.gz RGCSYINLDHNTKP-CQSZACIVSA-N 1 0 281.396 1.910 40 0 CDABRO CC[N@@H+]1CCC[C@](O)(CN2CCc3sccc3C2)C1 ZINC000041124083 379336378 /nfs/dbraw/zinc/33/63/78/379336378.db2.gz LKGPJZSPNNIOQE-OAHLLOKOSA-N 1 0 280.437 1.953 40 0 CDABRO COCC[N@@H+]1CC[C@H]2CN(C(=O)CC(C)C)C[C@H]2C1 ZINC000096081403 285060641 /nfs/dbraw/zinc/06/06/41/285060641.db2.gz OPOXMVYFOCHHCR-UONOGXRCSA-N 1 0 268.401 1.459 40 0 CDABRO O=C1C[C@@]2(CC[N@@H+](CCO)C2)CN1c1cccc(F)c1 ZINC000096239428 256829748 /nfs/dbraw/zinc/82/97/48/256829748.db2.gz SWNBLDFMJTWMGU-OAHLLOKOSA-N 1 0 278.327 1.247 40 0 CDABRO CN(C)c1ncc2c(cc([C@@H]3CCC[NH2+]C3)[nH]c2=O)n1 ZINC000019585688 390228355 /nfs/dbraw/zinc/22/83/55/390228355.db2.gz PNWCDAJQQNMTOE-SECBINFHSA-N 1 0 273.340 1.263 40 0 CDABRO C[N@@H+](CC(=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393352 390421702 /nfs/dbraw/zinc/42/17/02/390421702.db2.gz KLKISZADWOFJCZ-AWEZNQCLSA-N 1 0 262.353 1.525 40 0 CDABRO Fc1ccccc1CN1CCOC2(CC[NH2+]CC2)C1 ZINC000096531564 390541801 /nfs/dbraw/zinc/54/18/01/390541801.db2.gz YGQOCPNXHXLZSP-UHFFFAOYSA-N 1 0 264.344 1.780 40 0 CDABRO Fc1ccc2[nH]c3c(ncnc3N3CC[NH2+]CC3)c2c1 ZINC000009050935 391555274 /nfs/dbraw/zinc/55/52/74/391555274.db2.gz BDKUPPZIOZIVPN-UHFFFAOYSA-N 1 0 271.299 1.660 40 0 CDABRO Cc1ncc(C(=O)N2CCCC2)c(CC2CC[NH2+]CC2)n1 ZINC000257322574 391649839 /nfs/dbraw/zinc/64/98/39/391649839.db2.gz WGNONAMUERYWDG-UHFFFAOYSA-N 1 0 288.395 1.563 40 0 CDABRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCN1CCOC1=O ZINC000076325351 392599768 /nfs/dbraw/zinc/59/97/68/392599768.db2.gz PHRBDCPEMDIBGR-VXGBXAGGSA-N 1 0 256.346 1.064 40 0 CDABRO CC[NH+]1CCN(c2ccc(NC)cc2C(=O)OC)CC1 ZINC000226277825 393191366 /nfs/dbraw/zinc/19/13/66/393191366.db2.gz HNNGMUGZJREWQO-UHFFFAOYSA-N 1 0 277.368 1.657 40 0 CDABRO CC[NH+](CC)CC(=O)Nc1ccc(N)cc1OC ZINC000008703617 170347959 /nfs/dbraw/zinc/34/79/59/170347959.db2.gz HJBCFZANSIGWJW-UHFFFAOYSA-N 1 0 251.330 1.558 40 0 CDABRO CC[NH+](CC)CCN[C@H](C)C(=O)N1CCc2ccccc21 ZINC000022586271 171393200 /nfs/dbraw/zinc/39/32/00/171393200.db2.gz GENAEMYXVFBVFV-CQSZACIVSA-N 1 0 289.423 1.896 40 0 CDABRO CC[NH+](CC)CCCNC(=O)Cn1nnc2ccccc21 ZINC000028224704 171551496 /nfs/dbraw/zinc/55/14/96/171551496.db2.gz AXHYRAWNBIHMJH-UHFFFAOYSA-N 1 0 289.383 1.279 40 0 CDABRO C[C@]1([NH2+]Cc2cccc(F)c2)CCS(=O)(=O)C1 ZINC000035223159 172067586 /nfs/dbraw/zinc/06/75/86/172067586.db2.gz IDYMKDWHGPHFHE-LBPRGKRZSA-N 1 0 257.330 1.493 40 0 CDABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)C(C)C)CC1 ZINC000035291298 172105775 /nfs/dbraw/zinc/10/57/75/172105775.db2.gz SBOJCEIKQOTPQV-ZDUSSCGKSA-N 1 0 294.447 1.763 40 0 CDABRO COc1cc(OC)c([C@H](C[NH3+])N2CCCC2)c(OC)c1 ZINC000037376718 173165201 /nfs/dbraw/zinc/16/52/01/173165201.db2.gz MWUHPMBXIDAIDT-LBPRGKRZSA-N 1 0 280.368 1.808 40 0 CDABRO O=C(NCCc1ccccc1)c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000072365581 176380569 /nfs/dbraw/zinc/38/05/69/176380569.db2.gz TXMWGPNYALXTAD-CQSZACIVSA-N 1 0 296.374 1.874 40 0 CDABRO c1cc([C@@H]2CCCC[NH2+]2)nc(Nc2cncnc2)n1 ZINC000072376747 176385106 /nfs/dbraw/zinc/38/51/06/176385106.db2.gz PJWHWYXNISAFRW-NSHDSACASA-N 1 0 256.313 1.825 40 0 CDABRO C[N@@H+]1CCC[C@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377391 176385639 /nfs/dbraw/zinc/38/56/39/176385639.db2.gz BJXLFBSGAAWKEA-LBPRGKRZSA-N 1 0 256.313 1.777 40 0 CDABRO O=C(NC1CCCC1)c1cc([C@H]2CCC[NH2+]C2)n[nH]1 ZINC000072380020 176387318 /nfs/dbraw/zinc/38/73/18/176387318.db2.gz BLEDDTCGRYRADK-JTQLQIEISA-N 1 0 262.357 1.549 40 0 CDABRO C[N@@H+]1CCC[C@@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1 ZINC000072382863 176387901 /nfs/dbraw/zinc/38/79/01/176387901.db2.gz XYHFLLYGORLYLT-ZDUSSCGKSA-N 1 0 288.395 1.597 40 0 CDABRO O=C1CCCN1CCNc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072386887 176392059 /nfs/dbraw/zinc/39/20/59/176392059.db2.gz SGCBZANVKXCAIB-GFCCVEGCSA-N 1 0 274.368 1.540 40 0 CDABRO C[C@H](C(N)=O)[N@H+](C)CCc1ccc(Br)cc1 ZINC000078611036 177360032 /nfs/dbraw/zinc/36/00/32/177360032.db2.gz HQSMPCGVNBBRDV-SECBINFHSA-N 1 0 285.185 1.797 40 0 CDABRO Cc1cnc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000257329167 281571024 /nfs/dbraw/zinc/57/10/24/281571024.db2.gz XITWOGMTRUXLEN-HNNXBMFYSA-N 1 0 282.347 1.572 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000079409640 298948061 /nfs/dbraw/zinc/94/80/61/298948061.db2.gz KZEPYOWDSSZRPE-SRVKXCTJSA-N 1 0 299.415 1.628 40 0 CDABRO Cc1cc(N2CC[NH2+]C[C@H]2c2ccccc2)ncn1 ZINC000257275627 301338953 /nfs/dbraw/zinc/33/89/53/301338953.db2.gz NQEGNYJSRJWIPY-AWEZNQCLSA-N 1 0 254.337 1.936 40 0 CDABRO Cc1ccc(CCNC(=O)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000057547510 329522793 /nfs/dbraw/zinc/52/27/93/329522793.db2.gz ZCWCXGPJMCASOI-HNNXBMFYSA-N 1 0 260.381 1.962 40 0 CDABRO OC[C@@H]1C[NH2+]C[C@H]1c1cc(Br)cs1 ZINC000307066996 482442324 /nfs/dbraw/zinc/44/23/24/482442324.db2.gz VADDMJYXMJRJTH-POYBYMJQSA-N 1 0 262.172 1.806 40 0 CDABRO COc1ccccc1OC[C@H](C)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000225485285 518169731 /nfs/dbraw/zinc/16/97/31/518169731.db2.gz LXAUUNWICKZBSW-OLZOCXBDSA-N 1 0 292.379 1.578 40 0 CDABRO CCCC(=O)N1Cc2ccnn2[C@@H](C[NH+](CC)CC)C1 ZINC000575404946 342451794 /nfs/dbraw/zinc/45/17/94/342451794.db2.gz FWTXMIQLEZNXNH-AWEZNQCLSA-N 1 0 278.400 1.908 40 0 CDABRO C[C@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@@H](C[NH+]3CCCCC3)[C@H]2C1 ZINC000575405199 342451910 /nfs/dbraw/zinc/45/19/10/342451910.db2.gz GUFYFOHXHKOALJ-UYJHQMFVSA-N 1 0 292.423 1.602 40 0 CDABRO c1c2c(nn1CC1CC1)[C@@H](C[NH2+]C1CCOCC1)OCC2 ZINC000097953877 230388648 /nfs/dbraw/zinc/38/86/48/230388648.db2.gz APTMZEBFJHHPLK-OAHLLOKOSA-N 1 0 291.395 1.676 40 0 CDABRO COc1ccc(Cl)cc1-c1noc(CC[NH3+])n1 ZINC000082556447 178094092 /nfs/dbraw/zinc/09/40/92/178094092.db2.gz VAVAHERGODDUIO-UHFFFAOYSA-N 1 0 253.689 1.900 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1O ZINC000205681812 342572485 /nfs/dbraw/zinc/57/24/85/342572485.db2.gz LEZPWGBWQAJMHK-VXGBXAGGSA-N 1 0 268.744 1.087 40 0 CDABRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccsc1 ZINC000096056463 185077165 /nfs/dbraw/zinc/07/71/65/185077165.db2.gz URUVNTWGDQTZMM-VXGBXAGGSA-N 1 0 250.367 1.943 40 0 CDABRO COCCN1CC[N@H+](CC2CC2)Cc2cccnc21 ZINC000096060939 185083371 /nfs/dbraw/zinc/08/33/71/185083371.db2.gz XXTLQNQNWFVVJF-UHFFFAOYSA-N 1 0 261.369 1.760 40 0 CDABRO Cn1cc(C[N@@H+]2CC[C@@H]3O[C@@H](c4ccncn4)C[C@H]3C2)cn1 ZINC000096070570 185086825 /nfs/dbraw/zinc/08/68/25/185086825.db2.gz YPWAOSOFXBIBKF-CWRNSKLLSA-N 1 0 299.378 1.562 40 0 CDABRO CCN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C)n1 ZINC000096081182 185090938 /nfs/dbraw/zinc/09/09/38/185090938.db2.gz MXOBEFGLJUQCRZ-UONOGXRCSA-N 1 0 259.353 1.585 40 0 CDABRO c1ccc(CN2CCc3c(C[NH+]4CCCC4)[nH]nc3C2)nc1 ZINC000096084109 185092489 /nfs/dbraw/zinc/09/24/89/185092489.db2.gz NNHFNAVLOVUWDR-UHFFFAOYSA-N 1 0 297.406 1.959 40 0 CDABRO CCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1cnn(C)c1)C2 ZINC000096092490 185094943 /nfs/dbraw/zinc/09/49/43/185094943.db2.gz VTBSBHZNMYKHJH-AWEZNQCLSA-N 1 0 286.379 1.249 40 0 CDABRO C[NH+](C)C[C@]12COC[C@H]1CN(Cc1nccs1)C2 ZINC000096108238 185100424 /nfs/dbraw/zinc/10/04/24/185100424.db2.gz DNVYBUFTEMBYQV-YPMHNXCESA-N 1 0 267.398 1.153 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1)CC[C@H]2OC ZINC000096110972 185100725 /nfs/dbraw/zinc/10/07/25/185100725.db2.gz RMTHSGVXJAFBHS-ARFHVFGLSA-N 1 0 288.391 1.868 40 0 CDABRO O=C1CC2(CC[NH2+]CC2)[C@H](c2cccc(F)c2)CN1 ZINC000585263213 342251002 /nfs/dbraw/zinc/25/10/02/342251002.db2.gz PLUMCWIKGGUQOD-ZDUSSCGKSA-N 1 0 262.328 1.799 40 0 CDABRO C[NH2+]CC(=O)N1CC[C@](COc2cccc(F)c2)(OC)C1 ZINC000585273065 342255818 /nfs/dbraw/zinc/25/58/18/342255818.db2.gz ABEOOYSRLPAVOO-HNNXBMFYSA-N 1 0 296.342 1.041 40 0 CDABRO CC1(C)C[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CC[C@@H]2O1 ZINC000585284969 342258588 /nfs/dbraw/zinc/25/85/88/342258588.db2.gz KSCCYQIJZZYWGR-WOPDTQHZSA-N 1 0 252.358 1.154 40 0 CDABRO Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)n1 ZINC000585292805 342258998 /nfs/dbraw/zinc/25/89/98/342258998.db2.gz OIHQAAVLXHTQEX-KZNAEPCWSA-N 1 0 298.386 1.711 40 0 CDABRO C[C@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000037363640 343164692 /nfs/dbraw/zinc/16/46/92/343164692.db2.gz RDVDUFLJQMMCNS-HUBLWGQQSA-N 1 0 276.380 1.731 40 0 CDABRO CN(C)C(=O)CO[C@H]1Cn2cccc2C[N@@H+](C2CCC2)C1 ZINC000248053606 362147323 /nfs/dbraw/zinc/14/73/23/362147323.db2.gz XXUGOLJHBWCPDV-HNNXBMFYSA-N 1 0 291.395 1.330 40 0 CDABRO CN(C)C(=O)c1cnc(C2(C)CC[NH2+]CC2)s1 ZINC000205694267 350326845 /nfs/dbraw/zinc/32/68/45/350326845.db2.gz YUDWAQZNJMMAAT-UHFFFAOYSA-N 1 0 253.371 1.486 40 0 CDABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](C)[C@H]2C1 ZINC000107260292 186164839 /nfs/dbraw/zinc/16/48/39/186164839.db2.gz DVLZWPLMKDAPIO-HOTGVXAUSA-N 1 0 258.365 1.881 40 0 CDABRO O=C(N[C@@H]1CCC[C@@H](CO)C1)C1C[NH+](C2CCCCC2)C1 ZINC000334057347 363408219 /nfs/dbraw/zinc/40/82/19/363408219.db2.gz WCSLOMZNMSSVTP-UKRRQHHQSA-N 1 0 294.439 1.918 40 0 CDABRO CCS(=O)(=O)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004703364 356040892 /nfs/dbraw/zinc/04/08/92/356040892.db2.gz QWYOZARWPQFUCL-YNEHKIRRSA-N 1 0 272.414 1.142 40 0 CDABRO CC[NH+](CC)CCN1C(=O)COc2ncc(Cl)cc21 ZINC000005715200 356059425 /nfs/dbraw/zinc/05/94/25/356059425.db2.gz RHSJMVFCKOFJTL-UHFFFAOYSA-N 1 0 283.759 1.802 40 0 CDABRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2Cn2cccn2)C1 ZINC000019588530 356492656 /nfs/dbraw/zinc/49/26/56/356492656.db2.gz DTGKKUWJBIJIJO-OAHLLOKOSA-N 1 0 298.390 1.755 40 0 CDABRO C[C@H](NCCC[NH+](C)C)C(=O)NC1CCCCC1 ZINC000020299805 356536013 /nfs/dbraw/zinc/53/60/13/356536013.db2.gz HIXWDYAWKNTXDA-LBPRGKRZSA-N 1 0 255.406 1.365 40 0 CDABRO CN(C(=O)OCc1ccccc1)[C@@H]1CCC[N@H+](CCO)C1 ZINC000079410955 356993736 /nfs/dbraw/zinc/99/37/36/356993736.db2.gz DOHVETKXYNZRRL-OAHLLOKOSA-N 1 0 292.379 1.712 40 0 CDABRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nccc(N)n1 ZINC000135070381 357431872 /nfs/dbraw/zinc/43/18/72/357431872.db2.gz NTLLYAGFNHDQJX-CQSZACIVSA-N 1 0 297.406 1.765 40 0 CDABRO Cc1nc(CCC(N)=O)cc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072366557 357831267 /nfs/dbraw/zinc/83/12/67/357831267.db2.gz IEDDUQVLUGAFLT-AWEZNQCLSA-N 1 0 276.384 1.748 40 0 CDABRO CCOCC(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225566817 358354814 /nfs/dbraw/zinc/35/48/14/358354814.db2.gz LSNLOQXCDWTMOJ-ZDUSSCGKSA-N 1 0 286.441 1.357 40 0 CDABRO COC(=O)[C@@H]1C[NH2+][C@@H]2Cc3cccc(OC)c3C[C@H]2C1 ZINC000150025771 358544438 /nfs/dbraw/zinc/54/44/38/358544438.db2.gz ZBWWOTROKLWPOH-MBNYWOFBSA-N 1 0 275.348 1.561 40 0 CDABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096056505 358707417 /nfs/dbraw/zinc/70/74/17/358707417.db2.gz XISIPXXDVQCAFL-CHWSQXEVSA-N 1 0 252.358 1.108 40 0 CDABRO Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC2CC2)cn1 ZINC000096186514 358714415 /nfs/dbraw/zinc/71/44/15/358714415.db2.gz XKENXDTVVZHRMX-ZIAGYGMSSA-N 1 0 274.368 1.400 40 0 CDABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 ZINC000096199820 358716969 /nfs/dbraw/zinc/71/69/69/358716969.db2.gz MPSWKADNLJOOQF-CQSZACIVSA-N 1 0 290.411 1.514 40 0 CDABRO COCC[N@@H+]1CCC[C@@]12CCCN(Cc1cnn(C)c1)C2 ZINC000096203221 358719140 /nfs/dbraw/zinc/71/91/40/358719140.db2.gz JXAWNKQTRAIZNV-MRXNPFEDSA-N 1 0 292.427 1.497 40 0 CDABRO O=C1CCC2(CC[NH+](CCO)CC2)N1Cc1ccncc1 ZINC000096228318 358723878 /nfs/dbraw/zinc/72/38/78/358723878.db2.gz OCAYXOSDNJXICR-UHFFFAOYSA-N 1 0 289.379 1.031 40 0 CDABRO OCC[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096239817 358724666 /nfs/dbraw/zinc/72/46/66/358724666.db2.gz RWGQXEWBUALLBJ-CYBMUJFWSA-N 1 0 298.337 1.006 40 0 CDABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(CCO)C[C@H]12 ZINC000096251836 358727676 /nfs/dbraw/zinc/72/76/76/358727676.db2.gz KTKVBRBKVDEJEQ-HOTGVXAUSA-N 1 0 260.381 1.327 40 0 CDABRO CC(C)CC[N@@H+]1C[C@H]2C[C@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000096252906 358728016 /nfs/dbraw/zinc/72/80/16/358728016.db2.gz WWOUFUXPKOXBOC-HZSPNIEDSA-N 1 0 268.401 1.646 40 0 CDABRO Cc1cccc(-c2nsc(N3CC[NH2+]CC3)n2)c1 ZINC000216642985 358954767 /nfs/dbraw/zinc/95/47/67/358954767.db2.gz PXIQXGZYPRZLEO-UHFFFAOYSA-N 1 0 260.366 1.923 40 0 CDABRO [NH3+]C[C@H]1[C@H]2CN(c3cc(C(F)(F)F)ncn3)C[C@@H]12 ZINC000107745757 359027999 /nfs/dbraw/zinc/02/79/99/359027999.db2.gz KMWKYBXSCJGKKD-RNLVFQAGSA-N 1 0 258.247 1.136 40 0 CDABRO CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@H]2C[NH3+])cc1 ZINC000218582090 373046730 /nfs/dbraw/zinc/04/67/30/373046730.db2.gz NBBAEOSFOGDZKE-MCIONIFRSA-N 1 0 267.394 1.724 40 0 CDABRO COC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)[C@H](O)[C@@H]1O ZINC000225508652 374580273 /nfs/dbraw/zinc/58/02/73/374580273.db2.gz WNPTVANSMWQYFG-ZRJCITRHSA-N 1 0 285.771 1.186 40 0 biogenic,in-vitro CDABRO Cc1cccc(CN2C(=O)COC3(CC[NH2+]CC3)[C@H]2C)n1 ZINC000306133684 374970804 /nfs/dbraw/zinc/97/08/04/374970804.db2.gz MSQCMCFTAYDFHG-CYBMUJFWSA-N 1 0 289.379 1.260 40 0 CDABRO C[C@H]1C[NH2+]CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC000306141705 374972121 /nfs/dbraw/zinc/97/21/21/374972121.db2.gz WEHHGDMMOQMIKQ-NJZAAPMLSA-N 1 0 275.352 1.567 40 0 CDABRO FC(F)n1nccc1C[NH2+]CCCN1CCOCC1 ZINC000256050878 190002832 /nfs/dbraw/zinc/00/28/32/190002832.db2.gz GVLLHPOTEHHTCL-UHFFFAOYSA-N 1 0 274.315 1.090 40 0 CDABRO C[C@@H]1[NH2+]CC=CC[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000257198175 190010497 /nfs/dbraw/zinc/01/04/97/190010497.db2.gz VFDWHCQCCOTDNK-SMDDNHRTSA-N 1 0 262.328 1.996 40 0 CDABRO Cn1cncc1C[N@@H+]1CCOC[C@@H](Cc2cccnc2)C1 ZINC000257223194 190015034 /nfs/dbraw/zinc/01/50/34/190015034.db2.gz DWHWNPIVEMAUER-HNNXBMFYSA-N 1 0 286.379 1.506 40 0 CDABRO CN(Cc1ccc(F)cc1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000257239289 190017601 /nfs/dbraw/zinc/01/76/01/190017601.db2.gz HORGZKLUOICIMB-AWEZNQCLSA-N 1 0 266.316 1.163 40 0 CDABRO Cc1noc(C)c1-c1cc(CC[C@@H]2C[NH2+]CCO2)ncn1 ZINC000257245087 190019337 /nfs/dbraw/zinc/01/93/37/190019337.db2.gz IOAWGOJDJMEHBR-CYBMUJFWSA-N 1 0 288.351 1.669 40 0 CDABRO CCCn1nccc1-c1cc(C[C@@H]2CC[NH2+]C2)ncn1 ZINC000257258262 190021383 /nfs/dbraw/zinc/02/13/83/190021383.db2.gz KTALSLIBLSSYEO-LBPRGKRZSA-N 1 0 271.368 1.902 40 0 CDABRO Cn1nccc1-c1cc(C[C@H]2CC[N@H+](C)C2)ccn1 ZINC000257287344 190027083 /nfs/dbraw/zinc/02/70/83/190027083.db2.gz PPNILNOXVBNLQA-CYBMUJFWSA-N 1 0 256.353 1.976 40 0 CDABRO Cc1nccc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@H+]3C)n1 ZINC000257289925 190027403 /nfs/dbraw/zinc/02/74/03/190027403.db2.gz QAVAOWCKSUVKQL-HOCLYGCPSA-N 1 0 288.395 1.874 40 0 CDABRO CNC(=O)[C@@H]1CN(Cc2cc(F)ccc2F)CC[N@H+](C)C1 ZINC000257310410 190031776 /nfs/dbraw/zinc/03/17/76/190031776.db2.gz UEZAGOAQHMZUOM-LBPRGKRZSA-N 1 0 297.349 1.074 40 0 CDABRO Cc1c(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cnn1C ZINC000257303511 190030088 /nfs/dbraw/zinc/03/00/88/190030088.db2.gz SHNQBVYPOCMMRT-HZPDHXFCSA-N 1 0 287.363 1.353 40 0 CDABRO CO[C@H]1CC[N@H+](Cc2cncn2C)C[C@@]12CCCO2 ZINC000257309505 190030869 /nfs/dbraw/zinc/03/08/69/190030869.db2.gz UBESYBXYKDJMRC-KBPBESRZSA-N 1 0 265.357 1.190 40 0 CDABRO Cc1cc(Nc2ccnc(NC3CC[NH2+]CC3)n2)n[nH]1 ZINC000257308714 190030992 /nfs/dbraw/zinc/03/09/92/190030992.db2.gz TXVBYZCUVAJJHZ-UHFFFAOYSA-N 1 0 273.344 1.416 40 0 CDABRO c1cc([C@H]2CC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)n[nH]1 ZINC000257315965 190032505 /nfs/dbraw/zinc/03/25/05/190032505.db2.gz VDNPYRGUHNHIBX-ZDUSSCGKSA-N 1 0 298.394 1.789 40 0 CDABRO Cc1cc(C)n(CC(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)n1 ZINC000257318501 190033472 /nfs/dbraw/zinc/03/34/72/190033472.db2.gz VOFCXHXTIBONPQ-ZBFHGGJFSA-N 1 0 290.411 1.633 40 0 CDABRO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CC2 ZINC000238801072 376013736 /nfs/dbraw/zinc/01/37/36/376013736.db2.gz XNWFUTXQCYIPOV-YGRLFVJLSA-N 1 0 284.356 1.149 40 0 CDABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000000000056 377935858 /nfs/dbraw/zinc/93/58/58/377935858.db2.gz RKUNBYITZUJHSG-VFSICIBPSA-N 1 0 289.375 1.931 40 0 biogenic,in-vitro CDABRO COc1cc(NC(=O)[C@H]2CCC[NH2+]2)cc(OC)c1 ZINC000019412539 378179568 /nfs/dbraw/zinc/17/95/68/378179568.db2.gz BYLAYHSDODZAJV-GFCCVEGCSA-N 1 0 250.298 1.394 40 0 CDABRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](CCO)CC2 ZINC000096261140 256837822 /nfs/dbraw/zinc/83/78/22/256837822.db2.gz HMWXSJQXUCSFQP-OAHLLOKOSA-N 1 0 288.391 1.459 40 0 CDABRO Cc1cc(C)n(-c2cc(N3CC[NH+](C)CC3)ncn2)n1 ZINC000001560830 390139165 /nfs/dbraw/zinc/13/91/65/390139165.db2.gz OAORQDGTRWJPNE-UHFFFAOYSA-N 1 0 272.356 1.031 40 0 CDABRO C[C@H]1CCCN(S(=O)(=O)c2ccsc2C[NH3+])C1 ZINC000015424084 390216771 /nfs/dbraw/zinc/21/67/71/390216771.db2.gz GMCRLPGIMVXHAG-VIFPVBQESA-N 1 0 274.411 1.627 40 0 CDABRO Cc1cc(-c2cc(C)nc([C@@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000257203806 391648099 /nfs/dbraw/zinc/64/80/99/391648099.db2.gz ARSFHHLXYZEFLA-LLVKDONJSA-N 1 0 257.341 1.951 40 0 CDABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000306123098 392105290 /nfs/dbraw/zinc/10/52/90/392105290.db2.gz AEIMMDQKHJRTPC-MJBXVCDLSA-N 1 0 280.412 1.602 40 0 CDABRO c1cnc(N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@H]3C2)nc1 ZINC000096054019 285548126 /nfs/dbraw/zinc/54/81/26/285548126.db2.gz JCEFMOZUTBFHNW-HUUCEWRRSA-N 1 0 288.395 1.271 40 0 CDABRO [NH3+]Cc1ccc(I)c(F)c1 ZINC000199713788 397719477 /nfs/dbraw/zinc/71/94/77/397719477.db2.gz VTHLPHQOKQJTNO-UHFFFAOYSA-N 1 0 251.042 1.889 40 0 CDABRO Cc1cccc(C(N)=[NH2+])c1I ZINC000199760766 397719539 /nfs/dbraw/zinc/71/95/39/397719539.db2.gz WOZLVYZXFXMSTL-UHFFFAOYSA-N 1 0 260.078 1.884 40 0 CDABRO CN(CC[NH3+])C(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000054417355 289647399 /nfs/dbraw/zinc/64/73/99/289647399.db2.gz OKMQAKQQWOZPIR-KBPBESRZSA-N 1 0 262.353 1.571 40 0 CDABRO Cc1ccc(S(=O)(=O)CCSC(N)=[NH2+])cc1 ZINC000004697667 170000979 /nfs/dbraw/zinc/00/09/79/170000979.db2.gz MOQNFCMCORWEQJ-UHFFFAOYSA-N 1 0 258.368 1.395 40 0 CDABRO CC[NH+](CC)CCCN[C@@H](C)C(=O)N1CCCCC1 ZINC000004969451 170047097 /nfs/dbraw/zinc/04/70/97/170047097.db2.gz IEBYOGRTJXACPT-AWEZNQCLSA-N 1 0 269.433 1.709 40 0 CDABRO COC(=O)C1=C[C@H]2[C@H](C1)[C@H]1C[C@@H]2[C@@H](OC(C)=O)[C@H]1[NH+](C)C ZINC000005031575 170058690 /nfs/dbraw/zinc/05/86/90/170058690.db2.gz OEGPFLRTIQSEOX-RODWMJHOSA-N 1 0 293.363 1.234 40 0 CDABRO O=C(NCO)c1ccc[n+](Cc2cccc3ccccc32)c1 ZINC000005605000 170118783 /nfs/dbraw/zinc/11/87/83/170118783.db2.gz QVAPTBAXOGBFRQ-UHFFFAOYSA-O 1 0 293.346 1.855 40 0 CDABRO CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CCC[C@H]12)C(C)C ZINC000008618659 170343245 /nfs/dbraw/zinc/34/32/45/170343245.db2.gz AORFDVNAPHMKAU-XNRPHZJLSA-N 1 0 297.395 1.356 40 0 CDABRO CCOC(=O)N1CCC(Nc2cc[nH+]cc2N)CC1 ZINC000020384299 171175325 /nfs/dbraw/zinc/17/53/25/171175325.db2.gz MTQYCYXBFNOYTG-UHFFFAOYSA-N 1 0 264.329 1.697 40 0 CDABRO C[NH+](C)CCNC(=O)CSCc1ccc(F)cc1 ZINC000020457273 171208685 /nfs/dbraw/zinc/20/86/85/171208685.db2.gz QRFRYECSOUOAIJ-UHFFFAOYSA-N 1 0 270.373 1.737 40 0 CDABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+](C)C ZINC000020460374 171209783 /nfs/dbraw/zinc/20/97/83/171209783.db2.gz UWODOZDHFYNPNV-HNNXBMFYSA-N 1 0 294.395 1.921 40 0 CDABRO COCCOc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cn1 ZINC000035425475 172193253 /nfs/dbraw/zinc/19/32/53/172193253.db2.gz IOXIQVDHSCXDHZ-NSHDSACASA-N 1 0 290.323 1.581 40 0 biogenic,in-vitro CDABRO CCOCC(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038583715 174148644 /nfs/dbraw/zinc/14/86/44/174148644.db2.gz QZNWVMZHOYPHGR-UHFFFAOYSA-N 1 0 280.368 1.644 40 0 CDABRO CCS(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038583501 174148687 /nfs/dbraw/zinc/14/86/87/174148687.db2.gz QKYWDQZPOKEYBM-UHFFFAOYSA-N 1 0 296.436 1.838 40 0 CDABRO CN(C)C(=O)[C@]1(CCCc2cnccn2)CCC[NH2+]1 ZINC000072343803 176372173 /nfs/dbraw/zinc/37/21/73/176372173.db2.gz AWBIHLRBULICPF-AWEZNQCLSA-N 1 0 262.357 1.010 40 0 CDABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000072351224 176374407 /nfs/dbraw/zinc/37/44/07/176374407.db2.gz OABOLFJPEVSNPW-CYBMUJFWSA-N 1 0 286.379 1.831 40 0 CDABRO Cn1ccnc1CNc1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072365425 176380534 /nfs/dbraw/zinc/38/05/34/176380534.db2.gz YILAZSLNWVJNGD-GFCCVEGCSA-N 1 0 286.383 1.631 40 0 CDABRO C[NH+](C)CCc1cn(CO)c2ccc(Cn3cncn3)cc12 ZINC000077300728 177250517 /nfs/dbraw/zinc/25/05/17/177250517.db2.gz XDLNVZCYHAMVFJ-UHFFFAOYSA-N 1 0 299.378 1.335 40 0 in-vitro CDABRO C[N@@H+]1CCC[C@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087384 423939178 /nfs/dbraw/zinc/93/91/78/423939178.db2.gz LNEZLZQNIHGLNV-GOSISDBHSA-N 1 0 299.418 1.983 40 0 CDABRO Cc1cc(-c2cc(C)nc([C@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000257203807 274671787 /nfs/dbraw/zinc/67/17/87/274671787.db2.gz ARSFHHLXYZEFLA-NSHDSACASA-N 1 0 257.341 1.951 40 0 CDABRO O=c1ccn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc12 ZINC000022055476 275044106 /nfs/dbraw/zinc/04/41/06/275044106.db2.gz QDYUSAJJDOBXBM-UHFFFAOYSA-N 1 0 287.338 1.885 40 0 in-vitro CDABRO O=c1[nH]c(N2CC[N@@H+]3CCC[C@H]3C2)nc2ccccc21 ZINC000242701554 275062130 /nfs/dbraw/zinc/06/21/30/275062130.db2.gz WIGUXPUMEWFJAL-NSHDSACASA-N 1 0 270.336 1.620 40 0 CDABRO CC(=O)NC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000072584651 275779480 /nfs/dbraw/zinc/77/94/80/275779480.db2.gz ZZMUGSXVUDJKMM-UHFFFAOYSA-N 1 0 275.396 1.853 40 0 CDABRO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000006304905 277080857 /nfs/dbraw/zinc/08/08/57/277080857.db2.gz FHLMBSXYJBELQN-CQSZACIVSA-N 1 0 278.352 1.481 40 0 CDABRO C[C@@H]([NH3+])c1nc(-c2ccc(Br)o2)n[nH]1 ZINC000095534675 278319097 /nfs/dbraw/zinc/31/90/97/278319097.db2.gz JXOVRGQJESHOEM-SCSAIBSYSA-N 1 0 257.091 1.847 40 0 CDABRO Cc1cnc(N2CCC3(C[C@H]3C[NH+](C)C)CC2)nc1 ZINC000096238289 279014599 /nfs/dbraw/zinc/01/45/99/279014599.db2.gz CGCBSGDIZITUDK-ZDUSSCGKSA-N 1 0 260.385 1.953 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001548447971 969376125 /nfs/dbraw/zinc/37/61/25/969376125.db2.gz AHFLTGLJBDZNJA-HRDYMLBCSA-N 1 0 288.800 1.608 40 0 CDABRO c1ccc(CO[C@@H]2C[C@@H]3C[N@H+](CC4CC4)CCN3C2)nc1 ZINC000096055124 185075867 /nfs/dbraw/zinc/07/58/67/185075867.db2.gz XFZIQEZBAUMNGZ-IAGOWNOFSA-N 1 0 287.407 1.767 40 0 CDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N1CCCC1 ZINC000096057218 185078048 /nfs/dbraw/zinc/07/80/48/185078048.db2.gz WOVGFTLMRMRVLR-OAGGEKHMSA-N 1 0 292.423 1.603 40 0 CDABRO CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1c(C)noc1C ZINC000096057761 185078086 /nfs/dbraw/zinc/07/80/86/185078086.db2.gz PGNQHMQTIXNFCL-BFHYXJOUSA-N 1 0 266.341 1.670 40 0 CDABRO Cc1csc(C(C)(C)[NH2+]CCCS(C)(=O)=O)n1 ZINC000072663054 361819668 /nfs/dbraw/zinc/81/96/68/361819668.db2.gz IIIXQQQYKIXHJY-UHFFFAOYSA-N 1 0 276.427 1.711 40 0 CDABRO Cn1cccc1C(=O)N1C[C@@H]([NH+](C)C)[C@H]2OCCC[C@H]2C1 ZINC000096065165 185084270 /nfs/dbraw/zinc/08/42/70/185084270.db2.gz BHKLALWTIGXOPY-CFVMTHIKSA-N 1 0 291.395 1.206 40 0 CDABRO Cc1cccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cnn(C)c2)n1 ZINC000096063975 185084298 /nfs/dbraw/zinc/08/42/98/185084298.db2.gz SAYGZLGRSMOSSE-HOTGVXAUSA-N 1 0 297.406 1.977 40 0 CDABRO CCOCC(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096064026 185084501 /nfs/dbraw/zinc/08/45/01/185084501.db2.gz VXLFBMKHSFVVRJ-CABCVRRESA-N 1 0 289.379 1.293 40 0 CDABRO COCC[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096072448 185088418 /nfs/dbraw/zinc/08/84/18/185088418.db2.gz QFUGTLDKZSMHCV-GJZGRUSLSA-N 1 0 278.352 1.340 40 0 CDABRO COc1cccc(CN2C[C@@H]3C[N@H+](C)CCO[C@@H]3C2)c1 ZINC000096107935 185099963 /nfs/dbraw/zinc/09/99/63/185099963.db2.gz JCXRBHOFZVLSQL-GOEBONIOSA-N 1 0 276.380 1.458 40 0 CDABRO NC(=O)c1ccc[n+](C/C=C/CN2C=CC(=CN=O)C=C2)c1 ZINC000059151580 342138950 /nfs/dbraw/zinc/13/89/50/342138950.db2.gz LEUXHRLHVOLUNP-OWOJBTEDSA-O 1 0 297.338 1.623 40 0 CDABRO c1cc2n(n1)CC[C@H](COc1cnccn1)[N@@H+](CC1CC1)C2 ZINC000585098167 342211641 /nfs/dbraw/zinc/21/16/41/342211641.db2.gz VLJOFWMKEWSZPS-OAHLLOKOSA-N 1 0 299.378 1.736 40 0 CDABRO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](C)C1 ZINC000585275701 342256032 /nfs/dbraw/zinc/25/60/32/342256032.db2.gz IGFWTEXDSSBVMT-AWEZNQCLSA-N 1 0 251.326 1.067 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000257250796 362580542 /nfs/dbraw/zinc/58/05/42/362580542.db2.gz JOAQLSGPYBQTJS-MRVPVSSYSA-N 1 0 285.273 1.952 40 0 CDABRO Cc1ccc(CC23CN4CC(C[N@H+](C2)CC4)C3=O)c(C)c1 ZINC000085822020 179183935 /nfs/dbraw/zinc/18/39/35/179183935.db2.gz VINLQVKHIQKNQW-UHFFFAOYSA-N 1 0 284.403 1.662 40 0 CDABRO Cc1nn(C)cc1C[NH+]1CCC2(CCC(=O)NC2)CC1 ZINC000108531763 186222232 /nfs/dbraw/zinc/22/22/32/186222232.db2.gz VSSZIZJKRXSAMI-UHFFFAOYSA-N 1 0 276.384 1.221 40 0 CDABRO O=C(c1cccs1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000109521869 186258980 /nfs/dbraw/zinc/25/89/80/186258980.db2.gz LYIDTNGQPGOVNM-ZDUSSCGKSA-N 1 0 250.367 1.964 40 0 CDABRO COC(=O)CC[N@@H+]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC000154738817 351329943 /nfs/dbraw/zinc/32/99/43/351329943.db2.gz FHVXABKJNCBASF-ZDUSSCGKSA-N 1 0 291.395 1.459 40 0 CDABRO O=C(C[NH2+][C@@H]1CCCSC1)NC1CCCCC1 ZINC000167462729 363246158 /nfs/dbraw/zinc/24/61/58/363246158.db2.gz OWBGULDHZXYTQG-GFCCVEGCSA-N 1 0 256.415 1.921 40 0 CDABRO Ic1ccc2c(c1)C[NH2+]CC2 ZINC000012503940 283041112 /nfs/dbraw/zinc/04/11/12/283041112.db2.gz FFCFXJXBXUOFIU-UHFFFAOYSA-N 1 0 259.090 1.937 40 0 in-vivo CDABRO CC(C)c1ccc(=O)n(CC2(O)C[C@H]3CCC[C@@H](C2)[NH2+]3)n1 ZINC000019453083 356485550 /nfs/dbraw/zinc/48/55/50/356485550.db2.gz BPGBQGMYQUCPOX-OCZCAGDBSA-N 1 0 291.395 1.402 40 0 CDABRO Cc1nn(C)c(C)c1-c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000095095289 366364379 /nfs/dbraw/zinc/36/43/79/366364379.db2.gz NEPLITBKVFNELZ-SNVBAGLBSA-N 1 0 261.329 1.902 40 0 CDABRO CCN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)[NH3+] ZINC000079391252 356987948 /nfs/dbraw/zinc/98/79/48/356987948.db2.gz PUJKMNIFCDUXSQ-NWDGAFQWSA-N 1 0 299.415 1.439 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@@H](CSCC[NH3+])C1 ZINC000079392225 356989969 /nfs/dbraw/zinc/98/99/69/356989969.db2.gz OYNRIYYXTOECBG-SNVBAGLBSA-N 1 0 260.403 1.935 40 0 CDABRO CN(C[C@@H]1CCC[N@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407912 356991140 /nfs/dbraw/zinc/99/11/40/356991140.db2.gz FJCKMBBHVDETNU-LBPRGKRZSA-N 1 0 272.389 1.558 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(CC[NH3+])C1 ZINC000079408609 356992612 /nfs/dbraw/zinc/99/26/12/356992612.db2.gz KATVMCCUPJFUHQ-ZDUSSCGKSA-N 1 0 283.416 1.809 40 0 CDABRO CS(=O)(=O)Oc1ccc2cc(C(N)=[NH2+])ccc2c1 ZINC000040448546 356999944 /nfs/dbraw/zinc/99/99/44/356999944.db2.gz NCVIXRFLZFTMOS-UHFFFAOYSA-N 1 0 264.306 1.462 40 0 CDABRO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415194 356993375 /nfs/dbraw/zinc/99/33/75/356993375.db2.gz RXDQJWUAYAOUJX-HNNXBMFYSA-N 1 0 275.396 1.316 40 0 CDABRO C[C@H]([NH3+])C(=O)NCc1ccccc1Br ZINC000042419498 357066171 /nfs/dbraw/zinc/06/61/71/357066171.db2.gz XHRKEPDFQGOKBZ-ZETCQYMHSA-N 1 0 257.131 1.413 40 0 CDABRO C[C@@H](C[NH2+]CCN1CCCC1)C(=O)OC(C)(C)C ZINC000047219044 357153993 /nfs/dbraw/zinc/15/39/93/357153993.db2.gz YVSXCKGFZTWVQS-LBPRGKRZSA-N 1 0 256.390 1.650 40 0 CDABRO C[NH+]1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC000074861057 357929017 /nfs/dbraw/zinc/92/90/17/357929017.db2.gz BOQWKBHNJMHSCD-UHFFFAOYSA-N 1 0 272.270 1.928 40 0 CDABRO Cn1ccnc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096161540 358711196 /nfs/dbraw/zinc/71/11/96/358711196.db2.gz FCFBQYUZNPOGSB-CALCHBBNSA-N 1 0 296.418 1.984 40 0 CDABRO c1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)co1 ZINC000096184800 358714258 /nfs/dbraw/zinc/71/42/58/358714258.db2.gz LJOYYFIOZPKVRB-KGLIPLIRSA-N 1 0 270.336 1.923 40 0 CDABRO c1cn2c(n1)CN([C@@H]1CCOC1)C[C@@H](COCC1CC1)C2 ZINC000096187923 358714998 /nfs/dbraw/zinc/71/49/98/358714998.db2.gz BOHNUBLZQFYJKU-LSDHHAIUSA-N 1 0 291.395 1.530 40 0 CDABRO CCOC[C@H]1Cn2nccc2CN(Cc2nccn2C)C1 ZINC000096188923 358715552 /nfs/dbraw/zinc/71/55/52/358715552.db2.gz MRNSQZJYVWCERX-CYBMUJFWSA-N 1 0 289.383 1.285 40 0 CDABRO c1c(C[NH+]2CCCC2)nc2n1CCN(C1CCOCC1)C2 ZINC000096197244 358716520 /nfs/dbraw/zinc/71/65/20/358716520.db2.gz WRCDLNZHNGYGDZ-UHFFFAOYSA-N 1 0 290.411 1.474 40 0 CDABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(C)C)o1 ZINC000096248680 358726678 /nfs/dbraw/zinc/72/66/78/358726678.db2.gz PBFVMAWXUBKRCL-CABCVRRESA-N 1 0 264.369 1.881 40 0 CDABRO [NH3+]CCN1C(=O)S[C@H](CC2CCCCC2)C1=O ZINC000113466399 358731332 /nfs/dbraw/zinc/73/13/32/358731332.db2.gz LEKLOEUEJXLUNK-SNVBAGLBSA-N 1 0 256.371 1.980 40 0 CDABRO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CCCO1 ZINC000013998889 358827279 /nfs/dbraw/zinc/82/72/79/358827279.db2.gz ADVRDAPKXBOLAQ-ZDUSSCGKSA-N 1 0 258.321 1.797 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@H](c2cccs2)N1 ZINC000022238432 359048179 /nfs/dbraw/zinc/04/81/79/359048179.db2.gz LRDQGPVDAFDJEJ-LLVKDONJSA-N 1 0 297.343 1.745 40 0 CDABRO S=C(NCCC[NH+]1CCCC1)Nc1ccncc1 ZINC000225435346 359588882 /nfs/dbraw/zinc/58/88/82/359588882.db2.gz DWBOTHJAWLFSNA-UHFFFAOYSA-N 1 0 264.398 1.854 40 0 CDABRO Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(N)=[NH2+] ZINC000226105248 359647201 /nfs/dbraw/zinc/64/72/01/359647201.db2.gz RHMDJJXRUZGROA-UHFFFAOYSA-N 1 0 297.380 1.094 40 0 CDABRO CCC[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(F)ccc1C(=O)N2C ZINC000514288654 360123579 /nfs/dbraw/zinc/12/35/79/360123579.db2.gz NMYYAFCTWVYTQQ-OCCSQVGLSA-N 1 0 278.327 1.753 40 0 biogenic,in-vitro CDABRO CN1C(=O)c2cccnc2O[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC000514290184 360126016 /nfs/dbraw/zinc/12/60/16/360126016.db2.gz URXDVXVCODBKTQ-KGLIPLIRSA-N 1 0 287.363 1.541 40 0 biogenic,in-vitro CDABRO CS[C@H]1CCC[C@@H]1[N@H+](C)CC(=O)NCc1cccnc1 ZINC000076146344 367003265 /nfs/dbraw/zinc/00/32/65/367003265.db2.gz DWXKTPNKHXATGG-KBPBESRZSA-N 1 0 293.436 1.914 40 0 CDABRO O=C(N[C@@H]1CCc2ccccc21)C1=NOC2(C1)CC[NH2+]CC2 ZINC000096088467 284106751 /nfs/dbraw/zinc/10/67/51/284106751.db2.gz ZDYTTXHZXLENHU-CQSZACIVSA-N 1 0 299.374 1.689 40 0 CDABRO CCOc1ccccc1CNC(=O)C1CC[NH2+]CC1 ZINC000236924201 189852745 /nfs/dbraw/zinc/85/27/45/189852745.db2.gz SZBVKVDSCFHGPW-UHFFFAOYSA-N 1 0 262.353 1.701 40 0 CDABRO CC(C)Cn1ncnc1C[NH2+][C@H]1CCCCC[C@@H]1C(N)=O ZINC000132847854 375612518 /nfs/dbraw/zinc/61/25/18/375612518.db2.gz AUSWCJCFQXZSEK-STQMWFEESA-N 1 0 293.415 1.458 40 0 CDABRO Cc1c(C[NH2+]Cc2ccnn2CC(C)C)cnn1C ZINC000256051995 190003657 /nfs/dbraw/zinc/00/36/57/190003657.db2.gz LLJAXSSABTWGOB-UHFFFAOYSA-N 1 0 261.373 1.871 40 0 CDABRO CC[NH+](CC)CCNCc1ccnn1CC(C)C ZINC000256051564 190003752 /nfs/dbraw/zinc/00/37/52/190003752.db2.gz JQZAVPSMYTUKIS-UHFFFAOYSA-N 1 0 252.406 1.971 40 0 CDABRO Cn1ncc(C[NH2+]CCCCO)c1C(F)(F)F ZINC000256052759 190004381 /nfs/dbraw/zinc/00/43/81/190004381.db2.gz ONUAXFAHEGQYMW-UHFFFAOYSA-N 1 0 251.252 1.301 40 0 CDABRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(c2cnccn2)CC1 ZINC000257209504 190012675 /nfs/dbraw/zinc/01/26/75/190012675.db2.gz BQRHDKJGQHDANL-CQSZACIVSA-N 1 0 274.368 1.277 40 0 CDABRO COc1ccc(-c2cncc([C@H]3C[NH2+]CCO3)n2)cc1 ZINC000257197891 190010141 /nfs/dbraw/zinc/01/01/41/190010141.db2.gz MJJIULYNYVGVHG-OAHLLOKOSA-N 1 0 271.320 1.813 40 0 CDABRO CC(C)[N@@H+]1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@H]2C1 ZINC000257235301 190017041 /nfs/dbraw/zinc/01/70/41/190017041.db2.gz GXFZIPWPBVOUHM-GJZGRUSLSA-N 1 0 292.354 1.646 40 0 CDABRO CNC(=O)c1cc(C[C@H]2CCC[N@H+](C)C2)nc(C)n1 ZINC000257247379 190019658 /nfs/dbraw/zinc/01/96/58/190019658.db2.gz IYTRDNOHYJSUFS-LLVKDONJSA-N 1 0 262.357 1.029 40 0 CDABRO Cc1n[nH]cc1C[N@@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257249314 190020097 /nfs/dbraw/zinc/02/00/97/190020097.db2.gz JHQJAUJHKQMOIP-UHFFFAOYSA-N 1 0 298.394 1.975 40 0 CDABRO Cn1cc(CN2CCC[C@H]3[N@H+](C)CCC[C@@]32C)cn1 ZINC000257271285 190024160 /nfs/dbraw/zinc/02/41/60/190024160.db2.gz MXRMKTSLVLKDNT-CABCVRRESA-N 1 0 262.401 1.869 40 0 CDABRO COCC[N@@H+]1CCC[C@@H]1c1nccnc1-c1cc[nH]n1 ZINC000257305774 190030958 /nfs/dbraw/zinc/03/09/58/190030958.db2.gz SRLZAKDICDGENJ-GFCCVEGCSA-N 1 0 273.340 1.650 40 0 CDABRO c1cc([C@@H]2CC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)n[nH]1 ZINC000257315964 190033020 /nfs/dbraw/zinc/03/30/20/190033020.db2.gz VDNPYRGUHNHIBX-CYBMUJFWSA-N 1 0 298.394 1.789 40 0 CDABRO Cn1nccc1CN1CCC[C@@]2(C)[C@H]1CCC[N@@H+]2C ZINC000257327254 190034766 /nfs/dbraw/zinc/03/47/66/190034766.db2.gz XARHLMNETOXJKM-CABCVRRESA-N 1 0 262.401 1.869 40 0 CDABRO C[C@@H]1CCc2[nH]nc(C(=O)N[C@H]3C[NH+]4CCC3CC4)c2C1 ZINC000012146882 390202142 /nfs/dbraw/zinc/20/21/42/390202142.db2.gz IPZMEBHLTDWGEL-YGRLFVJLSA-N 1 0 288.395 1.359 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@]1(C[NH3+])COC ZINC000242543370 390276101 /nfs/dbraw/zinc/27/61/01/390276101.db2.gz JYQUWIOREHRYDE-KFWWJZLASA-N 1 0 297.420 1.487 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000079409536 390421074 /nfs/dbraw/zinc/42/10/74/390421074.db2.gz QDAGZZYGPUZUSQ-QWRGUYRKSA-N 1 0 285.388 1.192 40 0 CDABRO CCN(Cc1cnn(CC)c1)C[C@H]1CCCC[NH2+]1 ZINC000096524000 390537582 /nfs/dbraw/zinc/53/75/82/390537582.db2.gz MDXYRUORADICMV-CQSZACIVSA-N 1 0 250.390 1.867 40 0 CDABRO CCn1cc(CN(C)C[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000096523676 390537654 /nfs/dbraw/zinc/53/76/54/390537654.db2.gz HWCRWVSEGHMXCC-CYBMUJFWSA-N 1 0 250.390 1.643 40 0 CDABRO Cn1nc(CNC(=O)OC(C)(C)C)c2c1CC[NH2+]C2 ZINC000072209780 390619251 /nfs/dbraw/zinc/61/92/51/390619251.db2.gz HQIYMTFGPHZTMU-UHFFFAOYSA-N 1 0 266.345 1.091 40 0 CDABRO CC[NH+]1CCN(c2nc(C(C)(C)C)cc(=O)[nH]2)CC1 ZINC000013639761 391190831 /nfs/dbraw/zinc/19/08/31/391190831.db2.gz YBZZWPXTTZQQHU-UHFFFAOYSA-N 1 0 264.373 1.209 40 0 CDABRO CN(C)C(=O)[C@H]1CN(Cc2ccoc2)Cc2ncn(C)c21 ZINC000247960784 391424018 /nfs/dbraw/zinc/42/40/18/391424018.db2.gz FHTUPVXWFYTCHL-LBPRGKRZSA-N 1 0 288.351 1.201 40 0 CDABRO CC(C)[NH2+]C[C@H](O)c1ncccc1Br ZINC000217530069 130761158 /nfs/dbraw/zinc/76/11/58/130761158.db2.gz OQBDVHBJOFENCE-VIFPVBQESA-N 1 0 259.147 1.876 40 0 CDABRO CC(C)n1c(=O)c2cnccc2nc1[C@H]1CCC[NH2+]1 ZINC000252489435 392795036 /nfs/dbraw/zinc/79/50/36/392795036.db2.gz JRCDUZKTGUEYAO-GFCCVEGCSA-N 1 0 258.325 1.797 40 0 CDABRO COc1ccc(C(=O)OCC[NH+](C)C)cc1OC ZINC000005248074 170078741 /nfs/dbraw/zinc/07/87/41/170078741.db2.gz WBQBNIPKJJKMNQ-UHFFFAOYSA-N 1 0 253.298 1.422 40 0 CDABRO CO[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CCC[C@H]12)C(C)C ZINC000008618661 170343212 /nfs/dbraw/zinc/34/32/12/170343212.db2.gz AORFDVNAPHMKAU-JGGQBBKZSA-N 1 0 297.395 1.356 40 0 CDABRO C[C@@H](O)C[NH2+]CCNCc1ccc(Br)cc1 ZINC000022074971 171352186 /nfs/dbraw/zinc/35/21/86/171352186.db2.gz YDAVAFKRNPDFRB-SNVBAGLBSA-N 1 0 287.201 1.509 40 0 CDABRO Cc1cccc(C)c1NC(=O)C[NH2+]CCN1CCOCC1 ZINC000035311498 172121959 /nfs/dbraw/zinc/12/19/59/172121959.db2.gz FUHOHSVVEPCFKA-UHFFFAOYSA-N 1 0 291.395 1.164 40 0 CDABRO [NH3+]CC1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000044512599 175188381 /nfs/dbraw/zinc/18/83/81/175188381.db2.gz XWOBFOVZTJFKKR-UHFFFAOYSA-N 1 0 276.336 1.269 40 0 CDABRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000044528279 175193069 /nfs/dbraw/zinc/19/30/69/175193069.db2.gz OURUWIVYHGLYBY-NSHDSACASA-N 1 0 276.336 1.269 40 0 CDABRO COC[C@H]1C[NH2+]CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072343684 176372298 /nfs/dbraw/zinc/37/22/98/176372298.db2.gz ACBMVNXTIKNHCQ-NSHDSACASA-N 1 0 282.771 1.648 40 0 CDABRO COCc1nnc(C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000072367451 176381998 /nfs/dbraw/zinc/38/19/98/176381998.db2.gz ZDWHVYTUMSLWRW-CHWSQXEVSA-N 1 0 295.383 1.699 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cc(F)ccc1F ZINC000072397677 176394958 /nfs/dbraw/zinc/39/49/58/176394958.db2.gz CXRGNYDKPUQGJC-DDTOSNHZSA-N 1 0 282.334 1.604 40 0 CDABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@H](CO)C1)OCO2 ZINC000072397876 176395644 /nfs/dbraw/zinc/39/56/44/176395644.db2.gz PXJVUWDPNBJNIO-LBPRGKRZSA-N 1 0 263.337 1.928 40 0 CDABRO CO[C@@H]1CCN(C(=O)c2occc2C)[C@H](C[NH3+])C1 ZINC000161088166 274064015 /nfs/dbraw/zinc/06/40/15/274064015.db2.gz SWUNSRFFLVLJCO-WDEREUQCSA-N 1 0 252.314 1.166 40 0 CDABRO COCCN1CCCC[C@@H](C2CC[NH2+]CC2)C1=O ZINC000072353588 277515350 /nfs/dbraw/zinc/51/53/50/277515350.db2.gz TUNNHGOKQUSMQE-ZDUSSCGKSA-N 1 0 254.374 1.261 40 0 CDABRO CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCC(=O)[O-] ZINC000062718569 327915726 /nfs/dbraw/zinc/91/57/26/327915726.db2.gz WLTNJQGOZOHQNV-UHFFFAOYSA-N 1 0 296.367 1.248 40 0 CDABRO CCc1ccc(N2CC[C@H](C[NH3+])S2(=O)=O)cc1 ZINC000260762997 328066897 /nfs/dbraw/zinc/06/68/97/328066897.db2.gz HYHHXXWOSLHMER-GFCCVEGCSA-N 1 0 254.355 1.116 40 0 CDABRO Nc1ncc(C[NH2+]C2C3CC4CC(C3)CC2C4)cn1 ZINC000062717351 333175844 /nfs/dbraw/zinc/17/58/44/333175844.db2.gz GCPGVAWYTOECHS-UHFFFAOYSA-N 1 0 258.369 1.973 40 0 CDABRO CCOCCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019482771 521711166 /nfs/dbraw/zinc/71/11/66/521711166.db2.gz OWFUZIYJXLRVAY-ZDUSSCGKSA-N 1 0 250.342 1.619 40 0 CDABRO C[N@@H+]1C[C@@H](C(=O)NC2CC2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595570 1159317324 /nfs/dbraw/zinc/31/73/24/1159317324.db2.gz GSHFATLNXYGLMA-IPYPFGDCSA-N 1 0 272.348 1.577 40 0 CDABRO CN1CC[N@H+](CC2CCC3(CC3)CC2)C[C@@H]1CO ZINC000931397945 711505844 /nfs/dbraw/zinc/50/58/44/711505844.db2.gz CLMPFUVNKUQXBM-CQSZACIVSA-N 1 0 252.402 1.565 40 0 CDABRO CN1OC2(CC1=O)CC[NH+](Cc1cccnc1)CC2 ZINC001549168082 968052246 /nfs/dbraw/zinc/05/22/46/968052246.db2.gz SWLCSKWNOSRTRA-UHFFFAOYSA-N 1 0 261.325 1.210 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001548447979 969377152 /nfs/dbraw/zinc/37/71/52/969377152.db2.gz AHFLTGLJBDZNJA-XHNCKOQMSA-N 1 0 288.800 1.608 40 0 CDABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cnn(C)c1 ZINC000096055773 185075554 /nfs/dbraw/zinc/07/55/54/185075554.db2.gz XYIWOVTZPFGSHV-LSDHHAIUSA-N 1 0 262.401 1.725 40 0 CDABRO Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c(=O)ccc3C2)o1 ZINC000096067513 185085787 /nfs/dbraw/zinc/08/57/87/185085787.db2.gz SZQMQYZLZHHUSX-GFCCVEGCSA-N 1 0 258.321 1.923 40 0 CDABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccncc2)N1CC1CC1 ZINC000096081286 185091255 /nfs/dbraw/zinc/09/12/55/185091255.db2.gz KOYGPXBKSNQJAG-CABCVRRESA-N 1 0 271.364 1.667 40 0 CDABRO CO[C@@H]1CCN(C(C)=O)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096108579 185099699 /nfs/dbraw/zinc/09/96/99/185099699.db2.gz QDZFBVJCIVTETL-ARFHVFGLSA-N 1 0 289.379 1.149 40 0 CDABRO CCCC[N@@H+]1CCC[C@]2(CC(C(=O)NC)=NO2)C1 ZINC000585101298 342212332 /nfs/dbraw/zinc/21/23/32/342212332.db2.gz WGPJCZKHPTWNIZ-ZDUSSCGKSA-N 1 0 253.346 1.143 40 0 CDABRO COCC[C@@H]1CCOC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000585102873 342212563 /nfs/dbraw/zinc/21/25/63/342212563.db2.gz LPGKVCGYNDAVHY-OAHLLOKOSA-N 1 0 293.411 1.828 40 0 CDABRO CO[C@H]1C[N@H+](Cc2c[nH]c3ccccc23)C[C@@H]1CC(N)=O ZINC000585277643 342256385 /nfs/dbraw/zinc/25/63/85/342256385.db2.gz NYZMZHGCSOUDFY-NHYWBVRUSA-N 1 0 287.363 1.490 40 0 CDABRO CO[C@H]1C[N@H+](Cc2c[nH]c3ccccc23)C[C@H]1CC(N)=O ZINC000585277642 342256493 /nfs/dbraw/zinc/25/64/93/342256493.db2.gz NYZMZHGCSOUDFY-ABAIWWIYSA-N 1 0 287.363 1.490 40 0 CDABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(F)(F)F ZINC000254303150 342434295 /nfs/dbraw/zinc/43/42/95/342434295.db2.gz GHBNKDTUGOITPV-NXEZZACHSA-N 1 0 264.291 1.929 40 0 CDABRO [NH3+]Cc1ccc(N2CCOCC2=O)c(C(F)(F)F)c1 ZINC000199775212 136476062 /nfs/dbraw/zinc/47/60/62/136476062.db2.gz JKIAUEGIZQBEJC-UHFFFAOYSA-N 1 0 274.242 1.527 40 0 CDABRO c1cnnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4cncnc4)C[C@H]23)c1 ZINC000257344200 362588336 /nfs/dbraw/zinc/58/83/36/362588336.db2.gz ZWDNHKUWSULSHM-QLFBSQMISA-N 1 0 296.378 1.589 40 0 CDABRO COC(=O)CC[N@@H+]1CCN(Cc2cccn2C)[C@H](C)C1 ZINC000154775321 351336091 /nfs/dbraw/zinc/33/60/91/351336091.db2.gz PIBYXKDUUXRAIY-CYBMUJFWSA-N 1 0 279.384 1.094 40 0 CDABRO C[C@@H]1CCC[C@@H](OCC(=O)NCc2nccn2C)C1 ZINC000079034463 363360731 /nfs/dbraw/zinc/36/07/31/363360731.db2.gz KCNPVBIVJRIWMU-VXGBXAGGSA-N 1 0 265.357 1.632 40 0 CDABRO CC[NH+](CC)CCCNC(=O)c1ccc(N)cc1O ZINC000001733840 355950909 /nfs/dbraw/zinc/95/09/09/355950909.db2.gz YWGKSDGQWZVOQM-UHFFFAOYSA-N 1 0 265.357 1.436 40 0 CDABRO COc1ccc(CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000005738480 356060285 /nfs/dbraw/zinc/06/02/85/356060285.db2.gz XKNFKPLPAIRNJN-UHFFFAOYSA-N 1 0 262.338 1.942 40 0 CDABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccn(C(F)F)n1)C2 ZINC000002790889 358502556 /nfs/dbraw/zinc/50/25/56/358502556.db2.gz OSBBEYDYVYSHQG-PBINXNQUSA-N 1 0 284.310 1.633 40 0 CDABRO [NH3+][C@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000019369261 356483076 /nfs/dbraw/zinc/48/30/76/356483076.db2.gz HXGRFEYEFSYRLH-CYBMUJFWSA-N 1 0 255.321 1.890 40 0 CDABRO CCC(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019498542 356488042 /nfs/dbraw/zinc/48/80/42/356488042.db2.gz PVTRSLMCVIYUCG-UHFFFAOYSA-N 1 0 274.368 1.238 40 0 CDABRO CC1CCN(C(=O)COc2cccc(C[NH3+])c2)CC1 ZINC000036720719 356878991 /nfs/dbraw/zinc/87/89/91/356878991.db2.gz ZWKRIVFFIDYKTP-UHFFFAOYSA-N 1 0 262.353 1.783 40 0 CDABRO CN(C[C@H]1CC[N@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407880 356991223 /nfs/dbraw/zinc/99/12/23/356991223.db2.gz IJSLDRLGZISIDT-LLVKDONJSA-N 1 0 258.362 1.168 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000079421680 356996602 /nfs/dbraw/zinc/99/66/02/356996602.db2.gz SQQQMUWXKHYRAW-NSHDSACASA-N 1 0 255.749 1.677 40 0 CDABRO COc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000027932418 357947589 /nfs/dbraw/zinc/94/75/89/357947589.db2.gz QVEXLZPLUKRTBR-ZDUSSCGKSA-N 1 0 290.363 1.624 40 0 CDABRO Cc1ccsc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932520 357949250 /nfs/dbraw/zinc/94/92/50/357949250.db2.gz DFFZSMVMBMPKMY-NSHDSACASA-N 1 0 250.367 1.977 40 0 CDABRO COc1cc(OC)c2nccc(N3CC[NH2+]CC3)c2c1 ZINC000077255281 358015768 /nfs/dbraw/zinc/01/57/68/358015768.db2.gz DGJSOCREVVTLGP-UHFFFAOYSA-N 1 0 273.336 1.662 40 0 CDABRO Cc1cc(N2CC[NH2+]CC2)nc(-c2ccccc2)n1 ZINC000008731083 358388350 /nfs/dbraw/zinc/38/83/50/358388350.db2.gz ZVPVJYGANFVGLV-UHFFFAOYSA-N 1 0 254.337 1.862 40 0 CDABRO C[NH+](C)Cc1cncc2c1CCN(C(=O)c1ccoc1)C2 ZINC000096189452 358716002 /nfs/dbraw/zinc/71/60/02/358716002.db2.gz RAZMSHGYDSOSKB-UHFFFAOYSA-N 1 0 285.347 1.935 40 0 CDABRO CC[N@@H+]1CCC2(CN(C(=O)NCc3ccccc3)C2)C1 ZINC000096202739 358719091 /nfs/dbraw/zinc/71/90/91/358719091.db2.gz MMDJRHNVVASERJ-UHFFFAOYSA-N 1 0 273.380 1.924 40 0 CDABRO CCOC[C@@H]1CCC2(CCN(c3ncccn3)CC2)[N@@H+]1C ZINC000096207112 358719973 /nfs/dbraw/zinc/71/99/73/358719973.db2.gz KWAOHHPLXZJIOQ-AWEZNQCLSA-N 1 0 290.411 1.946 40 0 CDABRO O=C(C[C@]12COC[C@H]1C[N@H+](CC1CCC1)C2)N1CCCC1 ZINC000096206019 358720599 /nfs/dbraw/zinc/72/05/99/358720599.db2.gz SDKAFSQCOYPGPV-WBVHZDCISA-N 1 0 292.423 1.747 40 0 CDABRO CN1CCOCC12CCN(C(=O)c1cscn1)CC2 ZINC000096226204 358723159 /nfs/dbraw/zinc/72/31/59/358723159.db2.gz HONZSKPUFCVPTD-UHFFFAOYSA-N 1 0 281.381 1.080 40 0 CDABRO O=C1[C@H]2C[N@H+](CC3CC3)C[C@H]2CN1Cc1ccncc1 ZINC000096245133 358724503 /nfs/dbraw/zinc/72/45/03/358724503.db2.gz WOWDIJNJOIPQKY-GJZGRUSLSA-N 1 0 271.364 1.382 40 0 CDABRO CC(C)Oc1ncnc2c1CC[N@@H+]([C@@H]1CCOC1)CC2 ZINC000096255653 358728703 /nfs/dbraw/zinc/72/87/03/358728703.db2.gz SSFFRKWISHZVLT-GFCCVEGCSA-N 1 0 277.368 1.453 40 0 CDABRO CC(C)(C)c1ccc(CN2CC[C@@H](C[NH3+])S2(=O)=O)cc1 ZINC000222539221 359351921 /nfs/dbraw/zinc/35/19/21/359351921.db2.gz LHBKZNDAWXZZQW-AWEZNQCLSA-N 1 0 296.436 1.847 40 0 CDABRO CN1C(=O)c2cccnc2O[C@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000514289729 360119953 /nfs/dbraw/zinc/11/99/53/360119953.db2.gz NWMPLMILXZPERC-OLZOCXBDSA-N 1 0 273.336 1.151 40 0 biogenic,in-vitro CDABRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1COc2ccccc2O1 ZINC000047339088 361027777 /nfs/dbraw/zinc/02/77/77/361027777.db2.gz XEYJUDXHUNWZHZ-AWEZNQCLSA-N 1 0 292.379 1.530 40 0 CDABRO CCOC[C@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(C)(=O)=O ZINC000218013545 367259930 /nfs/dbraw/zinc/25/99/30/367259930.db2.gz HUWQZPKWFVVEMZ-HZSPNIEDSA-N 1 0 283.393 1.179 40 0 CDABRO Cc1cc(C)c(C(=O)NC[C@H]2C[NH2+]CCCO2)c(C)c1 ZINC000333212699 205123441 /nfs/dbraw/zinc/12/34/41/205123441.db2.gz QBLMAJXQCVGVLV-CQSZACIVSA-N 1 0 276.380 1.720 40 0 CDABRO CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@]2(N)COC)cc1 ZINC000218493876 372926212 /nfs/dbraw/zinc/92/62/12/372926212.db2.gz DVJULQOTMMBCMX-MGPQQGTHSA-N 1 0 283.393 1.103 40 0 CDABRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH2+]CC2 ZINC000306134727 374969886 /nfs/dbraw/zinc/96/98/86/374969886.db2.gz NWFVHNRWRMIHSH-HNNXBMFYSA-N 1 0 288.391 1.771 40 0 CDABRO Cc1nc2c(s1)C[NH2+]CC21CCN(C(=O)N(C)C)CC1 ZINC000306143776 374972823 /nfs/dbraw/zinc/97/28/23/374972823.db2.gz YLVJWDAXYRIXSA-UHFFFAOYSA-N 1 0 294.424 1.570 40 0 CDABRO COCCNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000027984196 375167706 /nfs/dbraw/zinc/16/77/06/375167706.db2.gz FZFKXCOAYTUSHG-UHFFFAOYSA-N 1 0 252.314 1.252 40 0 CDABRO C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H](C)N1C[C@H]1CCOC1 ZINC000225598761 375170054 /nfs/dbraw/zinc/17/00/54/375170054.db2.gz DXKAABMWUJOQEF-XUWVNRHRSA-N 1 0 282.428 1.454 40 0 CDABRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1C(C)=CCC[C@@H]1C ZINC000230311831 375561041 /nfs/dbraw/zinc/56/10/41/375561041.db2.gz GVMYSEUEEJARIT-XUXIUFHCSA-N 1 0 267.369 1.587 40 0 CDABRO FCCn1cc(C[NH2+]Cc2cnn(CC(F)F)c2)cn1 ZINC000256053346 190004896 /nfs/dbraw/zinc/00/48/96/190004896.db2.gz RBWQUXTZLPDDFY-UHFFFAOYSA-N 1 0 287.289 1.604 40 0 CDABRO CC[NH+](CC)CCNCc1cnn(C)c1C(F)(F)F ZINC000256050462 190003263 /nfs/dbraw/zinc/00/32/63/190003263.db2.gz FCEHFSFSDJGWNH-UHFFFAOYSA-N 1 0 278.322 1.870 40 0 CDABRO CCn1cc(C[NH2+]Cc2cnn(CC(F)F)c2)cn1 ZINC000256050110 190003282 /nfs/dbraw/zinc/00/32/82/190003282.db2.gz CSMPIPSUVMALGQ-UHFFFAOYSA-N 1 0 269.299 1.654 40 0 CDABRO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000257201477 190011117 /nfs/dbraw/zinc/01/11/17/190011117.db2.gz AHVRZNSFWZVUOF-CYBMUJFWSA-N 1 0 259.357 1.831 40 0 CDABRO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@H]12 ZINC000257203438 190011489 /nfs/dbraw/zinc/01/14/89/190011489.db2.gz AQAWGKVDACZHMZ-VHDGCEQUSA-N 1 0 298.394 1.547 40 0 CDABRO CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000257244709 190019103 /nfs/dbraw/zinc/01/91/03/190019103.db2.gz IMLLHFSUWPMWCQ-OAGGEKHMSA-N 1 0 273.380 1.158 40 0 CDABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000257288285 190026762 /nfs/dbraw/zinc/02/67/62/190026762.db2.gz PTPJVTAWHTZZPS-GFCCVEGCSA-N 1 0 257.341 1.806 40 0 CDABRO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000257321138 190033665 /nfs/dbraw/zinc/03/36/65/190033665.db2.gz WAFGZRPKNBRENL-NSHDSACASA-N 1 0 270.340 1.786 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CC[C@@H](c3nccc(C)n3)C2)CC1 ZINC000257333304 190035639 /nfs/dbraw/zinc/03/56/39/190035639.db2.gz YBALMMPAUMWYJU-CQSZACIVSA-N 1 0 288.395 1.585 40 0 CDABRO C[C@@H]1CN([C@H](C[NH3+])c2ccc3c(c2)CCO3)C[C@@H](C)O1 ZINC000108350266 412999193 /nfs/dbraw/zinc/99/91/93/412999193.db2.gz RDVDUFLJQMMCNS-LALPHHSUSA-N 1 0 276.380 1.731 40 0 CDABRO O=c1n(O)c2cc(Cl)ccc2n1C1CC[NH2+]CC1 ZINC000095933113 285225169 /nfs/dbraw/zinc/22/51/69/285225169.db2.gz BBTFZGKARTWTFE-UHFFFAOYSA-N 1 0 267.716 1.618 40 0 CDABRO Cc1nc(COC[C@@H]2CC[C@@H]3[NH2+]CC[C@@H]3O2)cs1 ZINC000107206576 256701185 /nfs/dbraw/zinc/70/11/85/256701185.db2.gz LSPVDZHJZBUIBA-AVGNSLFASA-N 1 0 268.382 1.878 40 0 CDABRO CCn1nc(C)c(CN(C)C[C@@H]2CCC[NH2+]2)c1C ZINC000096523706 256731664 /nfs/dbraw/zinc/73/16/64/256731664.db2.gz BCPFKJUQQXYZDR-ZDUSSCGKSA-N 1 0 250.390 1.704 40 0 CDABRO CCn1cc(CN(C)C[C@H]2CCCC[NH2+]2)c(C)n1 ZINC000096524006 256732531 /nfs/dbraw/zinc/73/25/31/256732531.db2.gz KVDQATOXCDGPRP-CQSZACIVSA-N 1 0 250.390 1.785 40 0 CDABRO Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)C[NH+](C)C ZINC000019130396 390226294 /nfs/dbraw/zinc/22/62/94/390226294.db2.gz FVJJFTZQMCAOAF-WCQYABFASA-N 1 0 299.378 1.188 40 0 CDABRO C[NH+]1CCN(c2ccc([C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000072216535 390621364 /nfs/dbraw/zinc/62/13/64/390621364.db2.gz QDJDBDQKADVQHC-CQSZACIVSA-N 1 0 260.385 1.648 40 0 CDABRO Cc1c[nH]nc1[C@@H]1CCCN1c1cc(C)[nH+]c(N)n1 ZINC000072388630 390935084 /nfs/dbraw/zinc/93/50/84/390935084.db2.gz SOJONISSYDIRIA-JTQLQIEISA-N 1 0 258.329 1.740 40 0 CDABRO CCOc1ncnc2c1CC[N@H+](CC1CCOCC1)CC2 ZINC000096058773 390912415 /nfs/dbraw/zinc/91/24/15/390912415.db2.gz KHJQYUCWERCWFL-UHFFFAOYSA-N 1 0 291.395 1.703 40 0 CDABRO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@@H+](C1CCC1)C2 ZINC000096109179 390913120 /nfs/dbraw/zinc/91/31/20/390913120.db2.gz VIUQQTIPHNHOIS-CJNGLKHVSA-N 1 0 280.412 1.746 40 0 CDABRO CCNc1ncc(C[NH2+]C[C@@H]2CCCN2CC)cn1 ZINC000062718430 391575712 /nfs/dbraw/zinc/57/57/12/391575712.db2.gz FTJVUOKDJGNQRH-ZDUSSCGKSA-N 1 0 263.389 1.482 40 0 CDABRO CC(C)CC[N@@H+]1C[C@H]2[C@H](C1)N(C)C(=O)c1cccn12 ZINC000306123445 392105182 /nfs/dbraw/zinc/10/51/82/392105182.db2.gz ANEFRZGDMJIKNJ-KBPBESRZSA-N 1 0 261.369 1.845 40 0 CDABRO CN(C)C(=O)[C@H]1CN(Cc2ccsc2)CC[N@H+](C)C1 ZINC000257275080 397607396 /nfs/dbraw/zinc/60/73/96/397607396.db2.gz NNVKGWFZLBKZTP-CYBMUJFWSA-N 1 0 281.425 1.200 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cnco2)cc1 ZINC000257245600 286379217 /nfs/dbraw/zinc/37/92/17/286379217.db2.gz IQGSEIWZDCECFB-CYBMUJFWSA-N 1 0 287.319 1.470 40 0 CDABRO C[NH+](C)CCCNCC(=O)N[C@]1(C)[C@H]2CC[C@H](C2)C1(C)C ZINC000005000542 170052638 /nfs/dbraw/zinc/05/26/38/170052638.db2.gz HCBNJBQMOMQHLW-JKIFEVAISA-N 1 0 295.471 1.859 40 0 CDABRO C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000005183974 170074557 /nfs/dbraw/zinc/07/45/57/170074557.db2.gz LKUOMJSIWXMQTM-UHFFFAOYSA-N 1 0 283.759 1.346 40 0 CDABRO CC[NH+](CC)CCCn1c(=O)oc2ccccc2c1=O ZINC000006555539 170212710 /nfs/dbraw/zinc/21/27/10/170212710.db2.gz HEFRCVQAAPXKKL-UHFFFAOYSA-N 1 0 276.336 1.687 40 0 CDABRO COC[C@H](C)NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000006792089 170244564 /nfs/dbraw/zinc/24/45/64/170244564.db2.gz IVFCYQSRCUEEFR-ZDUSSCGKSA-N 1 0 291.395 1.445 40 0 CDABRO Cc1ccc(NC(=S)NCCC[NH+](C)C)nc1 ZINC000007143619 170268874 /nfs/dbraw/zinc/26/88/74/170268874.db2.gz IKZDZMGODIIQJR-UHFFFAOYSA-N 1 0 252.387 1.628 40 0 CDABRO COc1ccc(CN2CC[C@@]3(CCC[NH2+]C3)C2=O)cc1 ZINC000035571415 172267281 /nfs/dbraw/zinc/26/72/81/172267281.db2.gz RUOCCEAZJSBPJA-MRXNPFEDSA-N 1 0 274.364 1.797 40 0 CDABRO COc1cc(OC)c([C@@H](C[NH3+])N2CCOCC2)c(OC)c1 ZINC000037376721 173165190 /nfs/dbraw/zinc/16/51/90/173165190.db2.gz PSKRLELIWZGQBO-GFCCVEGCSA-N 1 0 296.367 1.044 40 0 CDABRO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2cccc(C)c2)C1 ZINC000052136868 175533033 /nfs/dbraw/zinc/53/30/33/175533033.db2.gz OHEDNCYLJGSFMK-HNNXBMFYSA-N 1 0 260.381 1.996 40 0 CDABRO COc1cccc(C(=O)N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000063527608 175687293 /nfs/dbraw/zinc/68/72/93/175687293.db2.gz RKFJSDNYIQQSQM-STQMWFEESA-N 1 0 260.337 1.329 40 0 CDABRO Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]C2CCOCC2)c1 ZINC000072321691 176368851 /nfs/dbraw/zinc/36/88/51/176368851.db2.gz WGENXFNQKIAVLH-QBPKDAKJSA-N 1 0 291.391 1.341 40 0 biogenic,in-vitro CDABRO c1cnc(CCNc2cnc([C@@H]3CCC[NH2+]C3)cn2)cn1 ZINC000072365345 176380649 /nfs/dbraw/zinc/38/06/49/176380649.db2.gz QFHHXKMLRSBWEZ-GFCCVEGCSA-N 1 0 284.367 1.388 40 0 CDABRO Cc1nc(CCC(N)=O)cc(C2CC[NH+](C(C)C)CC2)n1 ZINC000072366377 176381384 /nfs/dbraw/zinc/38/13/84/176381384.db2.gz BLPNZALLMRZHLR-UHFFFAOYSA-N 1 0 290.411 1.791 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377395 176386088 /nfs/dbraw/zinc/38/60/88/176386088.db2.gz PLTQPIJFWJYSAI-LLVKDONJSA-N 1 0 270.340 1.819 40 0 CDABRO C[N@@H+]1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000072379357 176386888 /nfs/dbraw/zinc/38/68/88/176386888.db2.gz MFPSCQAJVWDAPZ-ZDUSSCGKSA-N 1 0 283.335 1.891 40 0 CDABRO CCCC(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000072390777 176394034 /nfs/dbraw/zinc/39/40/34/176394034.db2.gz PMRQBCHVICGHBZ-CQSZACIVSA-N 1 0 288.395 1.976 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000079419992 277903006 /nfs/dbraw/zinc/90/30/06/277903006.db2.gz BNBBHFZRXZGYSE-LBPRGKRZSA-N 1 0 299.415 1.439 40 0 CDABRO C[C@]12CCC[NH2+][C@@H]1CCCN2C(=O)c1cnccn1 ZINC000257278477 280176457 /nfs/dbraw/zinc/17/64/57/280176457.db2.gz OCKUHSKURBFXNQ-OCCSQVGLSA-N 1 0 260.341 1.223 40 0 CDABRO Cc1cccc(NCC2CCS(=O)(=O)CC2)[nH+]1 ZINC000158228426 281243856 /nfs/dbraw/zinc/24/38/56/281243856.db2.gz IVDKMTCSUSGXNQ-UHFFFAOYSA-N 1 0 254.355 1.627 40 0 CDABRO [NH3+][C@H]1Cc2ccc(S(=O)(=O)NC3CCCC3)cc2C1 ZINC000257221273 295343185 /nfs/dbraw/zinc/34/31/85/295343185.db2.gz DOGKMDLDOCJLBA-LBPRGKRZSA-N 1 0 280.393 1.333 40 0 CDABRO Cc1c[nH]nc1[C@H]1COCCN1C1CC[NH+](C)CC1 ZINC000257336200 302330214 /nfs/dbraw/zinc/33/02/14/302330214.db2.gz YNNDFULJNQUTFF-CYBMUJFWSA-N 1 0 264.373 1.186 40 0 CDABRO CCCN(C(=O)Cc1ccon1)C1CC[NH2+]CC1 ZINC000163321108 323213623 /nfs/dbraw/zinc/21/36/23/323213623.db2.gz XVTYPCPXCRRJCX-UHFFFAOYSA-N 1 0 251.330 1.208 40 0 CDABRO NC(=[NH2+])Cc1ccccc1I ZINC000200189879 333209189 /nfs/dbraw/zinc/20/91/89/333209189.db2.gz QCULZFAYSFCUPR-UHFFFAOYSA-N 1 0 260.078 1.770 40 0 CDABRO OC[C@H]1C[NH2+]C[C@@H]1c1cc(Br)cs1 ZINC000307066997 482442319 /nfs/dbraw/zinc/44/23/19/482442319.db2.gz VADDMJYXMJRJTH-SVRRBLITSA-N 1 0 262.172 1.806 40 0 CDABRO COc1cc(OC)c([C@H]2C[C@]2(C[NH3+])CO)c(OC)c1 ZINC000062713421 522834399 /nfs/dbraw/zinc/83/43/99/522834399.db2.gz VKJXCZRLYWBQEZ-YGRLFVJLSA-N 1 0 267.325 1.137 40 0 CDABRO CCOC(=O)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000074920950 567903657 /nfs/dbraw/zinc/90/36/57/567903657.db2.gz XXFUDJJPKXJALX-UHFFFAOYSA-N 1 0 296.411 1.520 40 0 CDABRO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000074713392 567903711 /nfs/dbraw/zinc/90/37/11/567903711.db2.gz UCKXNOQMSJSGRX-UHFFFAOYSA-N 1 0 275.352 1.925 40 0 CDABRO C[NH+](C)[C@H]1CCCC[C@H]1Oc1nccn2nccc12 ZINC000585651651 1160096879 /nfs/dbraw/zinc/09/68/79/1160096879.db2.gz GASWTLBEEMWSDV-WCQYABFASA-N 1 0 260.341 1.981 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001548448180 967499863 /nfs/dbraw/zinc/49/98/63/967499863.db2.gz SBSGREQCZXQENQ-ZLKJLUDKSA-N 1 0 296.798 1.622 40 0 CDABRO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@@H](C[NH+]3CCCCC3)[C@H]2C1 ZINC000575405198 342451938 /nfs/dbraw/zinc/45/19/38/342451938.db2.gz GUFYFOHXHKOALJ-OXGONZEZSA-N 1 0 292.423 1.602 40 0 CDABRO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3C3CCOCC3)O2)o1 ZINC000096040918 185068999 /nfs/dbraw/zinc/06/89/99/185068999.db2.gz IJFBYCSHFFYXAW-MCIONIFRSA-N 1 0 293.367 1.851 40 0 CDABRO CCN(C)c1ncnc2c1CC[N@H+](CC1CC1)CC2 ZINC000096058812 185078783 /nfs/dbraw/zinc/07/87/83/185078783.db2.gz DYBINLPFVOYFEE-UHFFFAOYSA-N 1 0 260.385 1.743 40 0 CDABRO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)o1 ZINC000096061616 185082918 /nfs/dbraw/zinc/08/29/18/185082918.db2.gz XTIPRLCHKLVWJP-LSDHHAIUSA-N 1 0 275.352 1.499 40 0 CDABRO Cc1nocc1C(=O)N1CCC2(C[C@H]([NH+](C)C)CO2)CC1 ZINC000096074120 185087786 /nfs/dbraw/zinc/08/77/86/185087786.db2.gz QMRIXNXKSMBLBD-LBPRGKRZSA-N 1 0 293.367 1.308 40 0 CDABRO CC(C)(O)C[N@@H+]1CCC[C@@]2(C[C@H](c3cncnc3)CO2)C1 ZINC000096073485 185088373 /nfs/dbraw/zinc/08/83/73/185088373.db2.gz BMOFOBUCYAPTBV-XJKSGUPXSA-N 1 0 291.395 1.586 40 0 CDABRO CCN1CCC([NH+]2CCC(C(=O)NC3CCC3)CC2)CC1 ZINC000096087193 185093530 /nfs/dbraw/zinc/09/35/30/185093530.db2.gz DJXSCQGTDGUQSP-UHFFFAOYSA-N 1 0 293.455 1.851 40 0 CDABRO O=C(N1CCCC1)N1C[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096107988 185099688 /nfs/dbraw/zinc/09/96/88/185099688.db2.gz UTNANMFOEKQZJM-LSDHHAIUSA-N 1 0 293.411 1.245 40 0 CDABRO O=c1[nH]nc(C2CC[NH2+]CC2)n1-c1ccc(F)cc1 ZINC000096517325 342165831 /nfs/dbraw/zinc/16/58/31/342165831.db2.gz VBAGEDJBZJXOTN-UHFFFAOYSA-N 1 0 262.288 1.167 40 0 CDABRO C[N@H+]1Cc2cccn2C[C@@H](CC(=O)NCc2ccco2)C1 ZINC000585099114 342212256 /nfs/dbraw/zinc/21/22/56/342212256.db2.gz MTVAOTRLWPGJOW-ZDUSSCGKSA-N 1 0 287.363 1.849 40 0 CDABRO Cn1cccc1C(=O)NCC[C@@H]1CN(C)Cc2ccnn21 ZINC000248109518 362151230 /nfs/dbraw/zinc/15/12/30/362151230.db2.gz GTMZSGPUUVVDMD-GFCCVEGCSA-N 1 0 287.367 1.028 40 0 CDABRO [NH3+]C[C@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 ZINC000044528694 370650740 /nfs/dbraw/zinc/65/07/40/370650740.db2.gz AMIUZKSUZJOKKX-BXUZGUMPSA-N 1 0 276.336 1.024 40 0 CDABRO COc1ccc2c3c1O[C@@H]1C(=O)CC[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000002034102 347413380 /nfs/dbraw/zinc/41/33/80/347413380.db2.gz LLPOLZWFYMWNKH-MIFHMHLRSA-N 1 0 299.370 1.933 40 0 CDABRO CC(C)(C)OC(=O)N[C@H](CC[NH3+])C(=O)OC(C)(C)C ZINC000104847678 186028399 /nfs/dbraw/zinc/02/83/99/186028399.db2.gz VTAQKRDOQHUEKC-SECBINFHSA-N 1 0 274.361 1.570 40 0 CDABRO C[NH+](C)[C@@H]1CCOC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC000108530597 186222490 /nfs/dbraw/zinc/22/24/90/186222490.db2.gz RZEHDLRMIKPHGR-ZIAGYGMSSA-N 1 0 296.411 1.125 40 0 CDABRO CC[C@@H](OC[C@H](O)C[NH2+]C(C)(C)CO)c1ccccc1 ZINC000002694709 355978942 /nfs/dbraw/zinc/97/89/42/355978942.db2.gz FCTIXENUHXHGQX-HUUCEWRRSA-N 1 0 281.396 1.876 40 0 CDABRO CC[NH+](CC)CCNC(=O)[C@H](O)C1CCCCC1 ZINC000001710963 355948646 /nfs/dbraw/zinc/94/86/46/355948646.db2.gz AEJNJYXCFLHBNN-CYBMUJFWSA-N 1 0 256.390 1.386 40 0 CDABRO CC[NH+](CC)CCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000004126224 356020044 /nfs/dbraw/zinc/02/00/44/356020044.db2.gz FVRBUVBHHPPIPL-CRWXNKLISA-N 1 0 276.380 1.525 40 0 CDABRO O=C([O-])C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393341 356989870 /nfs/dbraw/zinc/98/98/70/356989870.db2.gz IFEIQTGDRPSKFT-CQSZACIVSA-N 1 0 262.353 1.573 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079409700 356992437 /nfs/dbraw/zinc/99/24/37/356992437.db2.gz HCRBRIGZWZATCV-RYUDHWBXSA-N 1 0 299.415 1.582 40 0 CDABRO C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415197 356993774 /nfs/dbraw/zinc/99/37/74/356993774.db2.gz RXDQJWUAYAOUJX-OAHLLOKOSA-N 1 0 275.396 1.316 40 0 CDABRO CC(C)[N@H+](Cc1ccccc1)[C@H]1CCN(CCO)C1 ZINC000079414259 356994170 /nfs/dbraw/zinc/99/41/70/356994170.db2.gz RWTSLPHCOFWTFX-INIZCTEOSA-N 1 0 262.397 1.964 40 0 CDABRO CC(=O)N(C(C)C)C1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000079418062 356995209 /nfs/dbraw/zinc/99/52/09/356995209.db2.gz HEENRMXCSKRFHD-NRXISQOPSA-N 1 0 297.443 1.654 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000079418814 356995355 /nfs/dbraw/zinc/99/53/55/356995355.db2.gz ZJCHQHDIKKEDEN-CMPLNLGQSA-N 1 0 276.336 1.165 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1ccco1)C(C)C ZINC000079436304 356996242 /nfs/dbraw/zinc/99/62/42/356996242.db2.gz AURZJCKUNFUZJZ-ZDUSSCGKSA-N 1 0 266.341 1.683 40 0 CDABRO COc1cc(NC[C@@H]2CCC[NH2+]C2)nc(SC)n1 ZINC000079439720 356996533 /nfs/dbraw/zinc/99/65/33/356996533.db2.gz PPQIVUCFNSEUDA-SECBINFHSA-N 1 0 268.386 1.619 40 0 CDABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2F)C[C@H](C)O1 ZINC000019271905 357229749 /nfs/dbraw/zinc/22/97/49/357229749.db2.gz BINUIMUTYHIZNB-WDMOLILDSA-N 1 0 252.333 1.935 40 0 CDABRO COc1ccc(NC(=S)NC2CC[NH+](C)CC2)cn1 ZINC000063142762 357506592 /nfs/dbraw/zinc/50/65/92/357506592.db2.gz AOULISGTNZRXFU-UHFFFAOYSA-N 1 0 280.397 1.471 40 0 CDABRO C[NH+]1CCC(c2nccnc2N2CCC[C@@H](CO)C2)CC1 ZINC000072365224 357830774 /nfs/dbraw/zinc/83/07/74/357830774.db2.gz FNKSXYBQLVXWOL-CYBMUJFWSA-N 1 0 290.411 1.495 40 0 CDABRO CO[C@@H]1C=CC2=CC[N@@H+]3CCC4=C(CC(=O)OC4)[C@@]23C1 ZINC000078193505 358033141 /nfs/dbraw/zinc/03/31/41/358033141.db2.gz PXWINCSLFXUWBZ-CZUORRHYSA-N 1 0 273.332 1.589 40 0 CDABRO CN(C)CC[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000022586124 358051104 /nfs/dbraw/zinc/05/11/04/358051104.db2.gz JQJOBZXGICHECK-UHFFFAOYSA-N 1 0 261.369 1.117 40 0 CDABRO C[N@@H+]1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000082309222 358158566 /nfs/dbraw/zinc/15/85/66/358158566.db2.gz NJGAASCOCWCGAB-HNNXBMFYSA-N 1 0 258.365 1.913 40 0 CDABRO CN(C)C(=O)CN1CCC2(C[NH+](Cc3ccccc3)C2)C1 ZINC000096202653 358719276 /nfs/dbraw/zinc/71/92/76/358719276.db2.gz HTXQUPBNRORGLR-UHFFFAOYSA-N 1 0 287.407 1.283 40 0 CDABRO COc1ccc(C[NH+]2CC3(C2)CCN(C(C)=O)C3)cc1 ZINC000096202638 358719354 /nfs/dbraw/zinc/71/93/54/358719354.db2.gz WTORFGAEOKLSFG-UHFFFAOYSA-N 1 0 274.364 1.749 40 0 CDABRO COC[C@H]1C(=O)NCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096207626 358720027 /nfs/dbraw/zinc/72/00/27/358720027.db2.gz HGEHFHMKKHNKNB-ZDUSSCGKSA-N 1 0 278.352 1.254 40 0 CDABRO COC[C@]12COC[C@H]1C[N@H+](CCOCc1ccccc1)C2 ZINC000096209596 358721020 /nfs/dbraw/zinc/72/10/20/358721020.db2.gz VAXWHXDKXUIQRV-IAGOWNOFSA-N 1 0 291.391 1.798 40 0 CDABRO OCC[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC000096240068 358724637 /nfs/dbraw/zinc/72/46/37/358724637.db2.gz AQUOQPYNYYXEOV-UHFFFAOYSA-N 1 0 297.424 1.054 40 0 CDABRO O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccoc2)N1c1cncnc1 ZINC000096245929 358725788 /nfs/dbraw/zinc/72/57/88/358725788.db2.gz GKUJDYHWUXQGSA-KBPBESRZSA-N 1 0 284.319 1.449 40 0 CDABRO CC(C)Oc1ncnc2c1CC[N@@H+]([C@H]1CCOC1)CC2 ZINC000096255654 358728962 /nfs/dbraw/zinc/72/89/62/358728962.db2.gz SSFFRKWISHZVLT-LBPRGKRZSA-N 1 0 277.368 1.453 40 0 CDABRO O=C1C[C@H](c2ccccc2)C2(CC[NH+](CCO)CC2)N1 ZINC000096261184 358729466 /nfs/dbraw/zinc/72/94/66/358729466.db2.gz ACWBIKMWEBFJLG-CQSZACIVSA-N 1 0 274.364 1.117 40 0 CDABRO O=C(c1ccccc1Cl)N1CCC2(CC1)C[NH2+]CCO2 ZINC000096268848 358730332 /nfs/dbraw/zinc/73/03/32/358730332.db2.gz WAUBNRTUJDWCGN-UHFFFAOYSA-N 1 0 294.782 1.935 40 0 CDABRO CCO[C@H]1C[C@H](NC(=O)C(C)(C)[NH3+])C12CCCCC2 ZINC000236959015 358988264 /nfs/dbraw/zinc/98/82/64/358988264.db2.gz WKSIZXKTGFOYQY-RYUDHWBXSA-N 1 0 268.401 1.968 40 0 CDABRO [NH3+]C[C@@H]1CCN(c2cccc(C(F)(F)F)c2)S1(=O)=O ZINC000222545599 359353989 /nfs/dbraw/zinc/35/39/89/359353989.db2.gz PRQOOQSBEVISAS-JTQLQIEISA-N 1 0 294.298 1.573 40 0 CDABRO S=c1[nH]cnc2c1ncn2CC[NH+]1CCCCC1 ZINC000033281831 359701150 /nfs/dbraw/zinc/70/11/50/359701150.db2.gz POGGJMGRSAAELH-UHFFFAOYSA-N 1 0 263.370 1.601 40 0 CDABRO CO[C@@H](C[NH2+][C@H](C(N)=O)c1ccccc1)C(C)C ZINC000073410584 360460178 /nfs/dbraw/zinc/46/01/78/360460178.db2.gz ZGAWJFLUXPHQQZ-STQMWFEESA-N 1 0 250.342 1.474 40 0 CDABRO C[C@H](O)CN1CCN(C(=O)c2ccncc2Cl)[C@H](C)C1 ZINC000225425620 374360441 /nfs/dbraw/zinc/36/04/41/374360441.db2.gz QKPNFAHRDAQHRM-MNOVXSKESA-N 1 0 297.786 1.262 40 0 CDABRO C[NH2+]CC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000225475011 374481725 /nfs/dbraw/zinc/48/17/25/374481725.db2.gz DAYRIRXHSGGMRA-SNVBAGLBSA-N 1 0 283.322 1.127 40 0 CDABRO CN(C)c1nccc(N2CC[NH+](CCCCCF)CC2)n1 ZINC000225466625 374466884 /nfs/dbraw/zinc/46/68/84/374466884.db2.gz KQNNMMHXXLJCSF-UHFFFAOYSA-N 1 0 295.406 1.804 40 0 CDABRO Cc1nc(CN2CC[C@@]3(CC[NH2+]C3)C2=O)cs1 ZINC000306131906 374970757 /nfs/dbraw/zinc/97/07/57/374970757.db2.gz KSKZFELDKRFQHD-GFCCVEGCSA-N 1 0 251.355 1.164 40 0 CDABRO COC(=O)c1cc2c(nc1NCC1CC1)CC[NH2+]CC2 ZINC000306129970 374968308 /nfs/dbraw/zinc/96/83/08/374968308.db2.gz ISVPLTMWXFTYDX-UHFFFAOYSA-N 1 0 275.352 1.378 40 0 CDABRO COc1ccnc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1OC ZINC000225598644 375169949 /nfs/dbraw/zinc/16/99/49/375169949.db2.gz SVFVMBQTUSDEGE-TXEJJXNPSA-N 1 0 279.384 1.623 40 0 CDABRO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1C ZINC000057369366 375488769 /nfs/dbraw/zinc/48/87/69/375488769.db2.gz WAWOPVTWFWUGSL-NSHDSACASA-N 1 0 295.383 1.381 40 0 CDABRO CC[NH+](CC)CCNCc1cn(C)nc1C(F)(F)F ZINC000256053180 190004579 /nfs/dbraw/zinc/00/45/79/190004579.db2.gz QJVWFQUONYUFJZ-UHFFFAOYSA-N 1 0 278.322 1.870 40 0 CDABRO COc1cccc(-c2cncc([C@@H]3C[NH2+]CCO3)n2)c1 ZINC000257197788 190009950 /nfs/dbraw/zinc/00/99/50/190009950.db2.gz JHEFSEMVQUNQFT-HNNXBMFYSA-N 1 0 271.320 1.813 40 0 CDABRO Cc1cc(C)n(C[C@@H](C)NC(=O)CC2CC[NH2+]CC2)n1 ZINC000257198329 190010652 /nfs/dbraw/zinc/01/06/52/190010652.db2.gz ZEUZCQCPJATPSZ-GFCCVEGCSA-N 1 0 278.400 1.394 40 0 CDABRO O[C@H]1CCCC[C@@H]1[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000257210844 190012065 /nfs/dbraw/zinc/01/20/65/190012065.db2.gz BWJSMFJFSYEBDH-GJZGRUSLSA-N 1 0 276.380 1.669 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257213790 190013561 /nfs/dbraw/zinc/01/35/61/190013561.db2.gz CJBPDSMHBNYUCE-LLVKDONJSA-N 1 0 270.340 1.819 40 0 CDABRO Cc1nccc(C(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)n1 ZINC000257231696 190016421 /nfs/dbraw/zinc/01/64/21/190016421.db2.gz GHWOOONVRSZHAT-HOCLYGCPSA-N 1 0 288.395 1.922 40 0 CDABRO CCOC[C@@]1([NH3+])C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218005120 375776016 /nfs/dbraw/zinc/77/60/16/375776016.db2.gz XTTILHAPXQSDJK-NEPJUHHUSA-N 1 0 289.784 1.620 40 0 CDABRO Cc1ncc(-c2nccnc2C2CC[NH2+]CC2)n1C ZINC000257280389 190025525 /nfs/dbraw/zinc/02/55/25/190025525.db2.gz OKQKIQUNSJLETO-UHFFFAOYSA-N 1 0 257.341 1.653 40 0 CDABRO CC(=O)N1CC[NH2+]C[C@H](Cc2cncc3ccccc32)C1 ZINC000257291938 190027477 /nfs/dbraw/zinc/02/74/77/190027477.db2.gz QJICTGKSCOGGFJ-AWEZNQCLSA-N 1 0 283.375 1.845 40 0 CDABRO Cn1nccc1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000257274364 190024644 /nfs/dbraw/zinc/02/46/44/190024644.db2.gz NKSBGMCVHCHGIX-CYBMUJFWSA-N 1 0 285.351 1.834 40 0 CDABRO O=C(c1cncs1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257231893 296291911 /nfs/dbraw/zinc/29/19/11/296291911.db2.gz GIPWQRLRGJDRBI-LBPRGKRZSA-N 1 0 273.361 1.930 40 0 CDABRO CCCN(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC000041160670 379341959 /nfs/dbraw/zinc/34/19/59/379341959.db2.gz KYMSHJLROPBLLU-UHFFFAOYSA-N 1 0 293.392 1.594 40 0 CDABRO CC[NH+]1CCN(C[C@H](O)COC2CCC(C)CC2)CC1 ZINC000041690165 379448740 /nfs/dbraw/zinc/44/87/40/379448740.db2.gz SOMFTOZWGVTKOY-PCKAHOCUSA-N 1 0 284.444 1.580 40 0 CDABRO CCO[C@H]1C[C@H](O)C12CC[NH+](C[C@H](O)CC)CC2 ZINC000096421802 256788982 /nfs/dbraw/zinc/78/89/82/256788982.db2.gz OEOHHUKMKDUVPJ-AGIUHOORSA-N 1 0 257.374 1.009 40 0 CDABRO CO[C@@H]1CC[NH2+][C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096219939 256827166 /nfs/dbraw/zinc/82/71/66/256827166.db2.gz BOKKEPQERABWRI-YNEHKIRRSA-N 1 0 267.398 1.260 40 0 CDABRO c1csc(N2CCOCC3(CC[NH2+]CC3)C2)n1 ZINC000096240067 256829438 /nfs/dbraw/zinc/82/94/38/256829438.db2.gz KZVRBBNZAFNBOK-UHFFFAOYSA-N 1 0 253.371 1.350 40 0 CDABRO CCc1[nH+]c(N)nc(N)c1-c1ccc(N(C)C)cc1 ZINC000013212476 390207531 /nfs/dbraw/zinc/20/75/31/390207531.db2.gz BRKOBFPNLIWTRE-UHFFFAOYSA-N 1 0 257.341 1.936 40 0 CDABRO C[C@@H]([C@H]([NH3+])c1ccc(Br)cc1)S(C)(=O)=O ZINC000096524763 390539878 /nfs/dbraw/zinc/53/98/78/390539878.db2.gz PHUSHTWAGLAZOI-XVKPBYJWSA-N 1 0 292.198 1.882 40 0 CDABRO CC[C@@H](O)c1ccc(N2CC[NH+](CC)CC2)nc1C ZINC000072224675 390624971 /nfs/dbraw/zinc/62/49/71/390624971.db2.gz XITITTXYHFCXGU-CQSZACIVSA-N 1 0 263.385 1.975 40 0 CDABRO Cc1noc(CC[NH2+]Cc2cc3ccccc3n(C)c2=O)n1 ZINC000072206571 390615289 /nfs/dbraw/zinc/61/52/89/390615289.db2.gz ZXOQDHGLAXTGBO-UHFFFAOYSA-N 1 0 298.346 1.562 40 0 CDABRO Cc1ccc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3CC2)nn1 ZINC000096082182 390912772 /nfs/dbraw/zinc/91/27/72/390912772.db2.gz RUAFSQMCKDJSHL-QWHCGFSZSA-N 1 0 262.357 1.084 40 0 CDABRO C[N@@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](c2ccccc2)C1 ZINC000332845712 390979938 /nfs/dbraw/zinc/97/99/38/390979938.db2.gz GRBFRFCPROXMFO-HUUCEWRRSA-N 1 0 282.347 1.304 40 0 CDABRO O=C(CC[N@H+](Cc1ccccc1)C1CC1)N1CCOCC1 ZINC000051403055 391571620 /nfs/dbraw/zinc/57/16/20/391571620.db2.gz VQLOBFOPCCWZLO-UHFFFAOYSA-N 1 0 288.391 1.900 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1C[NH3+] ZINC000218513823 130769071 /nfs/dbraw/zinc/76/90/71/130769071.db2.gz PMYFSPNGJWZBLC-VWYCJHECSA-N 1 0 259.758 1.425 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@H]1c1ccc(C)cc1 ZINC000242463625 393119789 /nfs/dbraw/zinc/11/97/89/393119789.db2.gz DGAWDQKYHGEZIB-YNEHKIRRSA-N 1 0 253.367 1.470 40 0 CDABRO CC[NH+](CC)CCCNS(=O)(=O)c1ccccc1 ZINC000005453210 170100494 /nfs/dbraw/zinc/10/04/94/170100494.db2.gz HELPYAYIWURZDA-UHFFFAOYSA-N 1 0 270.398 1.697 40 0 CDABRO CC[NH+](CC)C[C@@H](O)Cn1cnc2c1ncnc2SC ZINC000005573195 170114912 /nfs/dbraw/zinc/11/49/12/170114912.db2.gz ISSMLRUIZPSBPE-SNVBAGLBSA-N 1 0 295.412 1.251 40 0 CDABRO C[NH+](C)CCCNC(=O)CSc1ccccn1 ZINC000006247433 170185499 /nfs/dbraw/zinc/18/54/99/170185499.db2.gz CYQWLHDFADCITH-UHFFFAOYSA-N 1 0 253.371 1.242 40 0 CDABRO CCCCc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000006652834 170222249 /nfs/dbraw/zinc/22/22/49/170222249.db2.gz IYFMAJVVVAIYOF-UHFFFAOYSA-N 1 0 291.395 1.646 40 0 CDABRO CCOc1cc(C[NH2+]CCO)cc(Cl)c1OC ZINC000008253670 170327475 /nfs/dbraw/zinc/32/74/75/170327475.db2.gz HEAUYAJYMQWBLL-UHFFFAOYSA-N 1 0 259.733 1.829 40 0 CDABRO COc1ccc(S[C@@H](C)C(=O)NCC[NH+](C)C)cc1 ZINC000020462049 171209541 /nfs/dbraw/zinc/20/95/41/171209541.db2.gz IBGYECPSCBFANS-NSHDSACASA-N 1 0 282.409 1.854 40 0 CDABRO OC1(c2cccnc2)CCN(CC[NH+]2CCCCC2)CC1 ZINC000022912341 171403193 /nfs/dbraw/zinc/40/31/93/171403193.db2.gz CSMXWEUKKIGAEJ-UHFFFAOYSA-N 1 0 289.423 1.851 40 0 CDABRO C[C@@]1(C(F)F)CN(C(=O)C2([NH3+])CC3(CCC3)C2)CCO1 ZINC000663003581 413801102 /nfs/dbraw/zinc/80/11/02/413801102.db2.gz ZLAPDZKTVGZULR-LBPRGKRZSA-N 1 0 288.338 1.531 40 0 CDABRO COCC[NH+]1CCC(NCc2nccn2C(C)C)CC1 ZINC000657331098 414180373 /nfs/dbraw/zinc/18/03/73/414180373.db2.gz NUHTZWFHBAYRSE-UHFFFAOYSA-N 1 0 280.416 1.664 40 0 CDABRO Cc1cc(N(C)C)nc(NCCNC(=O)C2CCCC2)[nH+]1 ZINC000038488324 174142711 /nfs/dbraw/zinc/14/27/11/174142711.db2.gz BLTPLMRNCMMBAV-UHFFFAOYSA-N 1 0 291.399 1.569 40 0 CDABRO C[C@@H](C[NH3+])n1cc(I)cn1 ZINC000070677387 176000590 /nfs/dbraw/zinc/00/05/90/176000590.db2.gz MCRSNLWURZZUMQ-YFKPBYRVSA-N 1 0 251.071 1.007 40 0 CDABRO COC[C@H]1C[NH2+]CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000072343698 176372066 /nfs/dbraw/zinc/37/20/66/176372066.db2.gz JSBXLQALPQEFEM-ZDUSSCGKSA-N 1 0 296.798 1.577 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cc(CCO)n[nH]3)C2)cn1 ZINC000072364268 176379080 /nfs/dbraw/zinc/37/90/80/176379080.db2.gz DKYXCLSYJFZDBL-CYBMUJFWSA-N 1 0 289.383 1.058 40 0 CDABRO NC(=O)c1cccc(-c2cnc([C@@H]3CCC[NH2+]C3)cn2)c1 ZINC000072365520 176380590 /nfs/dbraw/zinc/38/05/90/176380590.db2.gz HURHFHIRUAEKPW-CYBMUJFWSA-N 1 0 282.347 1.710 40 0 CDABRO C[C@H](CCn1ncn2c3ccoc3cc2c1=O)[NH2+]C1CC1 ZINC000072397696 176395381 /nfs/dbraw/zinc/39/53/81/176395381.db2.gz BYQZJEPIFHZPHP-SNVBAGLBSA-N 1 0 286.335 1.773 40 0 CDABRO Cc1nn(CC(=O)N[C@@H]2C[NH+]3CCC2CC3)c(C)c1C ZINC000072397971 176395588 /nfs/dbraw/zinc/39/55/88/176395588.db2.gz PNLHQJACALIKDJ-CQSZACIVSA-N 1 0 276.384 1.019 40 0 CDABRO Cc1cc(C)nc(NCC[NH2+]Cc2cccnc2)n1 ZINC000062717851 262303996 /nfs/dbraw/zinc/30/39/96/262303996.db2.gz QCJAZMALXDSUGC-UHFFFAOYSA-N 1 0 257.341 1.690 40 0 CDABRO O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1CC[NH+]1CCCC1 ZINC000005832499 275028633 /nfs/dbraw/zinc/02/86/33/275028633.db2.gz FDAIKWTXWRINOB-HNNXBMFYSA-N 1 0 299.374 1.471 40 0 CDABRO CCS(=O)(=O)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC000096088787 276391142 /nfs/dbraw/zinc/39/11/42/276391142.db2.gz LCGLQQOZEHLFOR-UHFFFAOYSA-N 1 0 294.420 1.473 40 0 CDABRO COC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257258259 277175672 /nfs/dbraw/zinc/17/56/72/277175672.db2.gz KTAFBLCBSZFTIX-MGPQQGTHSA-N 1 0 298.427 1.296 40 0 CDABRO C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306137019 277200133 /nfs/dbraw/zinc/20/01/33/277200133.db2.gz QJDIPSTZVXQNOK-NWDGAFQWSA-N 1 0 297.362 1.264 40 0 CDABRO CCc1ccccc1NC(=O)CN1CCC[NH2+]CC1 ZINC000061269095 521864407 /nfs/dbraw/zinc/86/44/07/521864407.db2.gz QNOAHKQYGMNNDG-UHFFFAOYSA-N 1 0 261.369 1.483 40 0 CDABRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(N)c2)CC1 ZINC000084677796 534841143 /nfs/dbraw/zinc/84/11/43/534841143.db2.gz ICNBTOYLGTVUCE-UHFFFAOYSA-N 1 0 278.356 1.721 40 0 CDABRO CCC(=O)Nc1nnc(CC[NH+]2CCCCC2)s1 ZINC000095116497 1174496640 /nfs/dbraw/zinc/49/66/40/1174496640.db2.gz ZMYFTUGDWUMPHZ-UHFFFAOYSA-N 1 0 268.386 1.915 40 0 CDABRO COc1ccc(OC)c(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000074713372 567903636 /nfs/dbraw/zinc/90/36/36/567903636.db2.gz WWTXEPLXRRIGFF-UHFFFAOYSA-N 1 0 278.352 1.984 40 0 CDABRO CCCC[N@H+](C)C[C@@H]1[C@H](CC)CN(C(=O)CC)[C@@H]1CO ZINC001772595017 1159309832 /nfs/dbraw/zinc/30/98/32/1159309832.db2.gz PSCRQHCDWQCHOL-RBSFLKMASA-N 1 0 284.444 1.974 40 0 CDABRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000028245660 930230987 /nfs/dbraw/zinc/23/09/87/930230987.db2.gz PQUCIVARBGKVFU-OAHLLOKOSA-N 1 0 289.379 1.556 40 0 CDABRO Cc1ccccc1CSCC(=O)NCC[NH+](C)C ZINC000010111500 230370733 /nfs/dbraw/zinc/37/07/33/230370733.db2.gz ARWCCSUJMOCBAT-UHFFFAOYSA-N 1 0 266.410 1.906 40 0 CDABRO C[NH+](C)CCCN1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C ZINC000001694694 282085293 /nfs/dbraw/zinc/08/52/93/282085293.db2.gz YYIRMWWWGWTKMF-XHDPSFHLSA-N 1 0 266.385 1.749 40 0 CDABRO C[C@H](CNC(=O)c1ccnc(C2CC2)n1)[N@H+](C)C1CC1 ZINC000069701840 342008360 /nfs/dbraw/zinc/00/83/60/342008360.db2.gz JJGRTHAJTSSIIL-SNVBAGLBSA-N 1 0 274.368 1.567 40 0 CDABRO C[N@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]2CN(C(N)=O)C[C@@H]21 ZINC000096038537 185069265 /nfs/dbraw/zinc/06/92/65/185069265.db2.gz YAHFKEQTIVKDCB-QLFBSQMISA-N 1 0 288.395 1.693 40 0 CDABRO O=C(N1CCCO1)[C@@]12CCO[C@@H]1CC[N@H+](CC1CCC1)C2 ZINC000096038842 185069514 /nfs/dbraw/zinc/06/95/14/185069514.db2.gz IZGIMCTXTYWTSZ-GDBMZVCRSA-N 1 0 294.395 1.431 40 0 CDABRO CN1CCOCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096048900 185073410 /nfs/dbraw/zinc/07/34/10/185073410.db2.gz NTTNRFSHAVTYMJ-UHFFFAOYSA-N 1 0 250.342 1.576 40 0 CDABRO CN(C)C(=O)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053841 185076338 /nfs/dbraw/zinc/07/63/38/185076338.db2.gz XEBIEWPGBGCTRB-CHWSQXEVSA-N 1 0 274.368 1.127 40 0 CDABRO c1cncc(CO[C@H]2C[C@H]3C[N@H+](CC4CC4)CCN3C2)c1 ZINC000096055050 185076411 /nfs/dbraw/zinc/07/64/11/185076411.db2.gz YRLXUVSHVKUPFH-IRXDYDNUSA-N 1 0 287.407 1.767 40 0 CDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N1CCCO1 ZINC000096057313 185077623 /nfs/dbraw/zinc/07/76/23/185077623.db2.gz LRVBFXRMLUNSJB-KFWWJZLASA-N 1 0 294.395 1.145 40 0 CDABRO O=C(NC1CC1)N1CC2(C1)CC[N@H+](Cc1ccncc1)C2 ZINC000096070830 185087074 /nfs/dbraw/zinc/08/70/74/185087074.db2.gz RIOPOLAJXPOKFO-UHFFFAOYSA-N 1 0 286.379 1.461 40 0 CDABRO COCC[C@@H]1CO[C@@]2(CC[N@H+](Cc3[nH]cnc3C)C2)C1 ZINC000096072070 185087111 /nfs/dbraw/zinc/08/71/11/185087111.db2.gz ANNNFYNOQVMSNQ-ZFWWWQNUSA-N 1 0 279.384 1.736 40 0 CDABRO Cc1nc(CN2CC[C@]3(CCC[NH2+]C3)C2=O)cs1 ZINC000096088760 185094208 /nfs/dbraw/zinc/09/42/08/185094208.db2.gz YZZMMNVUBQDOCU-ZDUSSCGKSA-N 1 0 265.382 1.554 40 0 CDABRO c1[nH]nc2c1C[C@@H]([NH2+]C1CCC3(CC1)OCCO3)CC2 ZINC000156736249 342162820 /nfs/dbraw/zinc/16/28/20/342162820.db2.gz LTXONCQZLNJYAF-ZDUSSCGKSA-N 1 0 277.368 1.542 40 0 CDABRO C[C@]1(C(N)=O)CCC[N@H+](CC2(O)CCCCCC2)C1 ZINC000585283334 342258493 /nfs/dbraw/zinc/25/84/93/342258493.db2.gz NODBLQHMPRQFHW-AWEZNQCLSA-N 1 0 268.401 1.659 40 0 CDABRO Cc1n[nH]c(C)c1-c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000257224746 362577983 /nfs/dbraw/zinc/57/79/83/362577983.db2.gz FDEFRGPTCYJOCR-NSHDSACASA-N 1 0 257.341 1.951 40 0 CDABRO NC(=O)[C@@H]1CCCN(c2ccnc(C3CC[NH2+]CC3)c2)C1 ZINC000257335441 362586992 /nfs/dbraw/zinc/58/69/92/362586992.db2.gz YKEGPWRHZLCWOT-CYBMUJFWSA-N 1 0 288.395 1.250 40 0 CDABRO Cc1nc([C@@H]2CCC[NH2+]C2)ncc1C(=O)NC(C)(C)C ZINC000019766848 351349727 /nfs/dbraw/zinc/34/97/27/351349727.db2.gz LCCSAXZRJXIGEL-LLVKDONJSA-N 1 0 276.384 1.780 40 0 CDABRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000157782906 188338184 /nfs/dbraw/zinc/33/81/84/188338184.db2.gz KGBQMIWFESCUES-WCQYABFASA-N 1 0 285.384 1.924 40 0 CDABRO Nc1nn(-c2ccc(Br)cc2)c2cccc[n+]12 ZINC000005438828 356053431 /nfs/dbraw/zinc/05/34/31/356053431.db2.gz JWKLDWMIZAHGOE-UHFFFAOYSA-N 1 0 290.144 1.956 40 0 CDABRO CC[NH2+]CCN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000016161633 356433248 /nfs/dbraw/zinc/43/32/48/356433248.db2.gz RGRQXHKTKPYWCG-UHFFFAOYSA-N 1 0 270.398 1.625 40 0 CDABRO C[N@@H+]1C[C@@H]2CN(C(=O)C3CCCCC3)CCN2C(C)(C)C1 ZINC000253401092 283206867 /nfs/dbraw/zinc/20/68/67/283206867.db2.gz MLLMZRWWMJPOQL-OAHLLOKOSA-N 1 0 293.455 1.804 40 0 biogenic,in-vitro CDABRO CCOC(=O)C[C@@H]([NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000026896491 356701006 /nfs/dbraw/zinc/70/10/06/356701006.db2.gz GGMFEDHKWJGYGA-WDEREUQCSA-N 1 0 286.372 1.524 40 0 CDABRO [NH3+]CCOC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079390657 356988054 /nfs/dbraw/zinc/98/80/54/356988054.db2.gz LNTHTAODKGXCRU-UHFFFAOYSA-N 1 0 278.352 1.763 40 0 CDABRO CC(C)N(C[C@H]1CCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408521 356992560 /nfs/dbraw/zinc/99/25/60/356992560.db2.gz IRURXPHXOBTBIY-ZDUSSCGKSA-N 1 0 285.432 1.913 40 0 CDABRO O=C(NC[C@H]1CCC[N@@H+](CCO)C1)OCc1ccccc1 ZINC000079410910 356993158 /nfs/dbraw/zinc/99/31/58/356993158.db2.gz ONWVBSRIXBQHIJ-OAHLLOKOSA-N 1 0 292.379 1.617 40 0 CDABRO [NH3+]CC(=O)N(Cc1nccc2ccccc21)C1CC1 ZINC000079422192 356996496 /nfs/dbraw/zinc/99/64/96/356996496.db2.gz OYFMPGKRUGNDAP-UHFFFAOYSA-N 1 0 255.321 1.685 40 0 CDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)cc1F ZINC000054369901 357318848 /nfs/dbraw/zinc/31/88/48/357318848.db2.gz AIPACXYDYMAOJO-MRVPVSSYSA-N 1 0 256.708 1.913 40 0 CDABRO Cc1ccc(C)c(C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000061523662 357456711 /nfs/dbraw/zinc/45/67/11/357456711.db2.gz VVDVOGMBJGMSDJ-UHFFFAOYSA-N 1 0 289.423 1.671 40 0 CDABRO c1cc(C[NH+]2CCCCC2)nc(N2CCOCC2)n1 ZINC000072397865 357832921 /nfs/dbraw/zinc/83/29/21/357832921.db2.gz FNWBJYHHWXSSOA-UHFFFAOYSA-N 1 0 262.357 1.299 40 0 CDABRO Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)c(C)c1 ZINC000061523863 358554395 /nfs/dbraw/zinc/55/43/95/358554395.db2.gz HCQUODVGUSZRGO-UHFFFAOYSA-N 1 0 289.423 1.671 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178051 358643952 /nfs/dbraw/zinc/64/39/52/358643952.db2.gz OQXDVNIZXIIZRP-SDDRHHMPSA-N 1 0 299.415 1.628 40 0 CDABRO COC[C@H]1CC2(CN1C(=O)c1cscn1)CC[NH2+]CC2 ZINC000096217039 358721042 /nfs/dbraw/zinc/72/10/42/358721042.db2.gz FVQIFBXYJIYURZ-LLVKDONJSA-N 1 0 295.408 1.374 40 0 CDABRO CCN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1=O ZINC000096244948 358725076 /nfs/dbraw/zinc/72/50/76/358725076.db2.gz SJJPFYKUFCCGTN-JQWIXIFHSA-N 1 0 250.367 1.658 40 0 CDABRO CNC(=O)c1cc2c(nc1NCC1CC1)CC[N@H+](C)CC2 ZINC000096260556 358729454 /nfs/dbraw/zinc/72/94/54/358729454.db2.gz DWKNBDXMEYJLDV-UHFFFAOYSA-N 1 0 288.395 1.294 40 0 CDABRO COCC[NH2+]Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000013998460 366506058 /nfs/dbraw/zinc/50/60/58/366506058.db2.gz UFUVAQBSTOVTDN-UHFFFAOYSA-N 1 0 292.335 1.281 40 0 CDABRO Cc1ccc(S(=O)(=O)n2ccc(C[NH3+])c2)cc1 ZINC000034218861 359391126 /nfs/dbraw/zinc/39/11/26/359391126.db2.gz FRJLFINERYZOGL-UHFFFAOYSA-N 1 0 250.323 1.492 40 0 CDABRO O=C1CNc2ncnc(NCCc3ccc(F)cc3)c2N1 ZINC000041121377 359683884 /nfs/dbraw/zinc/68/38/84/359683884.db2.gz WXRXBMQQVAXYCX-UHFFFAOYSA-N 1 0 287.298 1.634 40 0 CDABRO COC[C@@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001262 360654253 /nfs/dbraw/zinc/65/42/53/360654253.db2.gz ZYNPKUQUMYUHDL-NEPJUHHUSA-N 1 0 289.784 1.478 40 0 CDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1Br ZINC000067173324 291483164 /nfs/dbraw/zinc/48/31/64/291483164.db2.gz MTPGTGKQVPJNAH-VHSXEESVSA-N 1 0 284.153 1.925 40 0 CDABRO CCN1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1=O ZINC000333526551 371734536 /nfs/dbraw/zinc/73/45/36/371734536.db2.gz IDAKOMFEEHRMBA-SWHYSGLUSA-N 1 0 259.353 1.342 40 0 CDABRO COCCN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cn1 ZINC000225396174 374284756 /nfs/dbraw/zinc/28/47/56/374284756.db2.gz JUNGOBWGANKIAL-HIFRSBDPSA-N 1 0 293.411 1.367 40 0 CDABRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000053203175 374469776 /nfs/dbraw/zinc/46/97/76/374469776.db2.gz ARGLFINBGOUYMM-SECBINFHSA-N 1 0 260.384 1.121 40 0 CDABRO Cc1c(C)n(C[C@H](O)C[NH2+]CCO)c2ccc(C)cc12 ZINC000028297032 375240074 /nfs/dbraw/zinc/24/00/74/375240074.db2.gz KCURVWCCXVNDAE-CQSZACIVSA-N 1 0 276.380 1.509 40 0 CDABRO C[C@H](Cc1ccccc1)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000132265431 375430236 /nfs/dbraw/zinc/43/02/36/375430236.db2.gz KGMFQPSWOHKWCD-CQSZACIVSA-N 1 0 275.396 1.952 40 0 CDABRO C[C@@H]1CN(c2cc(CC3CC[NH2+]CC3)ncn2)C(=O)O1 ZINC000257205375 190011475 /nfs/dbraw/zinc/01/14/75/190011475.db2.gz AYSXSQLLTUZVGD-SNVBAGLBSA-N 1 0 276.340 1.364 40 0 CDABRO Cn1cc(-c2nccnc2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257231393 190015868 /nfs/dbraw/zinc/01/58/68/190015868.db2.gz GGNCFAHNVUTQMG-NSHDSACASA-N 1 0 257.341 1.419 40 0 CDABRO C[NH+]1CCC(Cc2cncc(-c3cn[nH]c3)n2)CC1 ZINC000257231718 190015977 /nfs/dbraw/zinc/01/59/77/190015977.db2.gz GHXWKLVKSBKOEP-UHFFFAOYSA-N 1 0 257.341 1.751 40 0 CDABRO Cn1ccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+]C2 ZINC000257234442 190017350 /nfs/dbraw/zinc/01/73/50/190017350.db2.gz GTNYKBVYYQTPFA-RSUWNVLCSA-N 1 0 288.395 1.555 40 0 CDABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)N2CCOCC2)c1 ZINC000257238577 190017689 /nfs/dbraw/zinc/01/76/89/190017689.db2.gz HLRAVRDLFGNSQT-UHFFFAOYSA-N 1 0 297.358 1.680 40 0 CDABRO COCCNC(=O)CCc1cccc(C2CC[NH2+]CC2)n1 ZINC000257259809 190022711 /nfs/dbraw/zinc/02/27/11/190022711.db2.gz LADBSYVSUJECCC-UHFFFAOYSA-N 1 0 291.395 1.244 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@H](Cc3cc[nH]n3)C2)cn1 ZINC000257281416 190026411 /nfs/dbraw/zinc/02/64/11/190026411.db2.gz OPCGSYBIZKBSAL-GFCCVEGCSA-N 1 0 259.357 1.598 40 0 CDABRO c1cc(Nc2cnccn2)nc([C@H]2C[NH2+]CCO2)c1 ZINC000257298635 190029031 /nfs/dbraw/zinc/02/90/31/190029031.db2.gz RMQJFGQJQMDWMX-LLVKDONJSA-N 1 0 257.297 1.276 40 0 CDABRO Cc1c[nH]c([C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000257297742 190029239 /nfs/dbraw/zinc/02/92/39/190029239.db2.gz RIQNSEWMJKCKDK-ZDUSSCGKSA-N 1 0 276.384 1.520 40 0 CDABRO CN1CC[NH2+]C[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000257320929 190033541 /nfs/dbraw/zinc/03/35/41/190033541.db2.gz VZIVEQIACUVVLE-HNNXBMFYSA-N 1 0 288.395 1.129 40 0 CDABRO [NH3+]CCOc1ccc2c(c1)CCC(=O)N2CCF ZINC000218792321 375899600 /nfs/dbraw/zinc/89/96/00/375899600.db2.gz IHQGWZZSQADKAU-UHFFFAOYSA-N 1 0 252.289 1.273 40 0 CDABRO COc1cccc(OC)c1C[N@@H+]1C[C@@H]2C[C@@H](O)C[C@@H]2C1 ZINC000257336204 190036348 /nfs/dbraw/zinc/03/63/48/190036348.db2.gz YNNOTEPRMBEPCW-ITGUQSILSA-N 1 0 277.364 1.907 40 0 CDABRO COCC[NH2+]CCNC(=O)c1cc(C)ccc1C ZINC000212805687 377818531 /nfs/dbraw/zinc/81/85/31/377818531.db2.gz KLWVDQXHBYUQTH-UHFFFAOYSA-N 1 0 250.342 1.269 40 0 CDABRO CCn1nccc1CNC(=S)NCCC[NH+](CC)CC ZINC000002791140 378055302 /nfs/dbraw/zinc/05/53/02/378055302.db2.gz BRIQSDNDLPHQIG-UHFFFAOYSA-N 1 0 297.472 1.599 40 0 CDABRO CC(C)[N@H+](C)C[C@H]1C[C@@H]2CN(c3ncccn3)C[C@@H]2O1 ZINC000096251655 256834689 /nfs/dbraw/zinc/83/46/89/256834689.db2.gz QFBALGPBCJMNIC-MCIONIFRSA-N 1 0 276.384 1.411 40 0 CDABRO [NH3+]C[C@@H](c1cncc(Br)c1)N1CCCC1 ZINC000096511145 390530826 /nfs/dbraw/zinc/53/08/26/390530826.db2.gz JLZZPQIWBPOIKR-NSHDSACASA-N 1 0 270.174 1.940 40 0 CDABRO Cc1nc(N2CCC[NH2+]CC2)cc(C(F)(F)F)n1 ZINC000096516913 390531689 /nfs/dbraw/zinc/53/16/89/390531689.db2.gz SCODFTQKGBPEEK-UHFFFAOYSA-N 1 0 260.263 1.604 40 0 CDABRO CC(=O)N1CCN(c2ccc([C@H](C)[NH3+])c(C)n2)CC1 ZINC000072224783 390625229 /nfs/dbraw/zinc/62/52/29/390625229.db2.gz CVZGOJVVYDXPDA-JTQLQIEISA-N 1 0 262.357 1.078 40 0 CDABRO CCOC[C@@H]1C[N@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096060224 390912388 /nfs/dbraw/zinc/91/23/88/390912388.db2.gz OVLITQGLBCUGNT-AWEZNQCLSA-N 1 0 293.411 1.782 40 0 CDABRO CC[NH+](CC)CCCNCC(=O)N1CCCC[C@H]1C ZINC000026439627 391106133 /nfs/dbraw/zinc/10/61/33/391106133.db2.gz OHFLNMVGCPHDNF-CQSZACIVSA-N 1 0 269.433 1.709 40 0 CDABRO CCSc1ncc(CNCCC[NH+](C)C)cn1 ZINC000062718356 391574716 /nfs/dbraw/zinc/57/47/16/391574716.db2.gz MHIUVVKBUDPEJC-UHFFFAOYSA-N 1 0 254.403 1.630 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1C[NH3+] ZINC000218510868 130769707 /nfs/dbraw/zinc/76/97/07/130769707.db2.gz GZGSBWKRRLBILB-VWYCJHECSA-N 1 0 259.758 1.425 40 0 CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1CCc2ccccc21 ZINC000026439547 287023504 /nfs/dbraw/zinc/02/35/04/287023504.db2.gz RZFQQANCJYPVAM-CYBMUJFWSA-N 1 0 275.396 1.506 40 0 CDABRO CC(C)[NH2+]C[C@H](O)COc1cccc2c1OCCO2 ZINC000004826104 170024298 /nfs/dbraw/zinc/02/42/98/170024298.db2.gz NLUUGSAKIXOSLG-NSHDSACASA-N 1 0 267.325 1.196 40 0 CDABRO CCOC(=O)CC[NH2+]CCc1ccc(OC)cc1 ZINC000036984832 172851011 /nfs/dbraw/zinc/85/10/11/172851011.db2.gz VDISWEKPXWQKQD-UHFFFAOYSA-N 1 0 251.326 1.781 40 0 CDABRO COC(=O)c1cc(Br)ccc1CC[NH3+] ZINC000039951710 174176178 /nfs/dbraw/zinc/17/61/78/174176178.db2.gz AVJGDSYBQXZDGM-UHFFFAOYSA-N 1 0 258.115 1.737 40 0 CDABRO [NH3+]C[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000044541941 175201780 /nfs/dbraw/zinc/20/17/80/175201780.db2.gz KXKOKZADWCPBEX-CYBMUJFWSA-N 1 0 250.317 1.708 40 0 CDABRO COC(=O)c1cccc(NC(=S)NCC[NH+](C)C)c1C ZINC000044663062 175226417 /nfs/dbraw/zinc/22/64/17/175226417.db2.gz VNMMPBJLTRSTOW-UHFFFAOYSA-N 1 0 295.408 1.630 40 0 CDABRO COCC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046239030 175395265 /nfs/dbraw/zinc/39/52/65/175395265.db2.gz DWEBQAUMOVANQB-UHFFFAOYSA-N 1 0 262.353 1.197 40 0 CDABRO CN(Cc1ccccc1)C(=O)CNC(=[NH2+])NC1CCCC1 ZINC000058111885 175607732 /nfs/dbraw/zinc/60/77/32/175607732.db2.gz YDKKQRZWVJNTLZ-UHFFFAOYSA-N 1 0 288.395 1.702 40 0 CDABRO CN(C)C(=O)[C@]1(CCCc2cnccn2)CCCC[NH2+]1 ZINC000072344231 176372490 /nfs/dbraw/zinc/37/24/90/176372490.db2.gz UNPASLHBPRFVQD-OAHLLOKOSA-N 1 0 276.384 1.400 40 0 CDABRO Cc1cc(CCC(=O)N(C)C)nc([C@H]2CCCC[NH2+]2)n1 ZINC000072363379 176377650 /nfs/dbraw/zinc/37/76/50/176377650.db2.gz QJCUBAYVDMYBIB-CYBMUJFWSA-N 1 0 276.384 1.620 40 0 CDABRO Cc1ccnc(NC(=O)c2cncc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000072365647 176381362 /nfs/dbraw/zinc/38/13/62/176381362.db2.gz FCGXSWUKYCKPEZ-NSHDSACASA-N 1 0 283.335 1.857 40 0 CDABRO Cn1ccnc1[C@@]1(O)CCC[N@H+](Cc2ccncc2)CC1 ZINC000072369580 176384307 /nfs/dbraw/zinc/38/43/07/176384307.db2.gz RMIDSUKFMJRSGB-MRXNPFEDSA-N 1 0 286.379 1.689 40 0 CDABRO CCCC(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000072390776 176393830 /nfs/dbraw/zinc/39/38/30/176393830.db2.gz PMRQBCHVICGHBZ-AWEZNQCLSA-N 1 0 288.395 1.976 40 0 CDABRO CCSc1ncc(C[NH2+]CCCN2CCCC2=O)cn1 ZINC000062717331 262299277 /nfs/dbraw/zinc/29/92/77/262299277.db2.gz XOIOUELJDNLIIB-UHFFFAOYSA-N 1 0 294.424 1.691 40 0 CDABRO C(OC[C@@]12CCCO[C@@H]1CC[NH2+]C2)C1CCOCC1 ZINC000306138077 276817565 /nfs/dbraw/zinc/81/75/65/276817565.db2.gz ROMYBDFXILCMTL-CABCVRRESA-N 1 0 269.385 1.588 40 0 CDABRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCN[C@H]1CCC[C@@]1(C)CO ZINC000104245193 278124560 /nfs/dbraw/zinc/12/45/60/278124560.db2.gz LBNBPYQPTNKLFN-FZKCQIBNSA-N 1 0 284.444 1.268 40 0 CDABRO CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)C(=O)OC(C)(C)C ZINC000079409081 289737997 /nfs/dbraw/zinc/73/79/97/289737997.db2.gz BGJVREPUQRAPQJ-LLVKDONJSA-N 1 0 285.388 1.051 40 0 CDABRO CCN1OC2(CC1=O)CC[NH+](Cc1ccc(CO)o1)CC2 ZINC001549166785 968052169 /nfs/dbraw/zinc/05/21/69/968052169.db2.gz IQDFFTIYCCZMBB-UHFFFAOYSA-N 1 0 294.351 1.290 40 0 CDABRO COc1ccc(C[NH2+]C[C@@H]2OCCc3cn(C)nc32)cc1 ZINC000096044268 185071502 /nfs/dbraw/zinc/07/15/02/185071502.db2.gz OIDOZJKGLHEMMS-HNNXBMFYSA-N 1 0 287.363 1.832 40 0 CDABRO Cc1noc([C@@H]2C[C@H]3C[N@H+](CC4CCOCC4)C[C@H]3O2)n1 ZINC000096045806 185072029 /nfs/dbraw/zinc/07/20/29/185072029.db2.gz CAOOLKVAZVKYQO-MELADBBJSA-N 1 0 293.367 1.566 40 0 CDABRO O=C1CCCC2(CC[NH+](Cc3ccccn3)CC2)N1 ZINC000096047390 185072392 /nfs/dbraw/zinc/07/23/92/185072392.db2.gz MLMFVTUSCVUTFD-UHFFFAOYSA-N 1 0 259.353 1.716 40 0 CDABRO CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(C)o1 ZINC000096057759 185076985 /nfs/dbraw/zinc/07/69/85/185076985.db2.gz CUUHNWVOURBHOL-BFHYXJOUSA-N 1 0 251.326 1.966 40 0 CDABRO Cc1ccc(C[NH2+]C[C@H]2COCc3c(C)nnn3C2)o1 ZINC000096061114 185082372 /nfs/dbraw/zinc/08/23/72/185082372.db2.gz AHMBGTXDXFAAPG-GFCCVEGCSA-N 1 0 276.340 1.424 40 0 CDABRO CNC(=O)C1=NO[C@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096074488 185088728 /nfs/dbraw/zinc/08/87/28/185088728.db2.gz NHVISRZKXPIPKP-MRXNPFEDSA-N 1 0 287.363 1.196 40 0 CDABRO c1coc(CN2CCO[C@@H]3C[N@H+](CC4CC4)C[C@@H]3C2)c1 ZINC000096108160 185100297 /nfs/dbraw/zinc/10/02/97/185100297.db2.gz IWTNQHGNKRCSED-GOEBONIOSA-N 1 0 276.380 1.822 40 0 CDABRO c1cncc(CN2C[C@@H]3C[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096110639 185100696 /nfs/dbraw/zinc/10/06/96/185100696.db2.gz BAWMYWGYJPVUOM-HOTGVXAUSA-N 1 0 257.381 1.855 40 0 CDABRO Cc1nc(-c2ccnn2C)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000585180127 342232536 /nfs/dbraw/zinc/23/25/36/342232536.db2.gz IIHMVGNOMNUYKM-LLVKDONJSA-N 1 0 257.341 1.653 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](C[NH3+])[C@@H]1c1ccc(OC)cc1 ZINC000218085632 362197926 /nfs/dbraw/zinc/19/79/26/362197926.db2.gz WHOQDXPLWJZSMR-AVGNSLFASA-N 1 0 269.366 1.171 40 0 CDABRO CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CC[NH2+]CC1)CC2=O ZINC000085385635 179046393 /nfs/dbraw/zinc/04/63/93/179046393.db2.gz OYTYSASBDMVZTC-LSDHHAIUSA-N 1 0 264.369 1.204 40 0 CDABRO Cc1ccc(C[N@H+]2CC[C@H]([NH+](C)C)C[C@H]2C(=O)[O-])cc1 ZINC000107214428 186163630 /nfs/dbraw/zinc/16/36/30/186163630.db2.gz HQRWHMJJEVALCL-GJZGRUSLSA-N 1 0 276.380 1.974 40 0 CDABRO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)CO ZINC000002694385 355979171 /nfs/dbraw/zinc/97/91/71/355979171.db2.gz XPDGRPLZWISTPT-CYBMUJFWSA-N 1 0 281.396 1.910 40 0 CDABRO CC[NH+](CC)CCOC(=O)c1ccc(N)cc1O ZINC000001724537 355949829 /nfs/dbraw/zinc/94/98/29/355949829.db2.gz GHSCYMOJHVOGDJ-UHFFFAOYSA-N 1 0 252.314 1.473 40 0 in-man CDABRO O=C(CN1CC[NH2+]CC1)Nc1cccc(Br)c1 ZINC000019270548 356478568 /nfs/dbraw/zinc/47/85/68/356478568.db2.gz KEUAKXIVUZXWDZ-UHFFFAOYSA-N 1 0 298.184 1.293 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000079409488 356992009 /nfs/dbraw/zinc/99/20/09/356992009.db2.gz OFDLHNSVBBGJRF-WDEREUQCSA-N 1 0 285.388 1.239 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)NCc1nccc2ccccc21 ZINC000079422210 356996111 /nfs/dbraw/zinc/99/61/11/356996111.db2.gz NUFRJTMOOGXVFJ-AWEZNQCLSA-N 1 0 257.337 1.834 40 0 CDABRO [NH3+]CC(=O)N(Cc1ccnc(Br)c1)C1CC1 ZINC000079421570 356996305 /nfs/dbraw/zinc/99/63/05/356996305.db2.gz YZHGSPJKFMVICB-UHFFFAOYSA-N 1 0 284.157 1.294 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N([C@H](C)c1cnccn1)C1CC1 ZINC000079435841 356996330 /nfs/dbraw/zinc/99/63/30/356996330.db2.gz GBZLLEWBFWMHGJ-MFKMUULPSA-N 1 0 262.357 1.512 40 0 CDABRO Cc1nnc(C[C@H]2C[C@H]3C[N@H+](Cc4ccco4)C[C@H]3O2)o1 ZINC000096220033 358721987 /nfs/dbraw/zinc/72/19/87/358721987.db2.gz NLAHVSOBSNFQFN-IACUBPJLSA-N 1 0 289.335 1.803 40 0 CDABRO COCCC[N@@H+]1CCCC12CCN(c1ncccn1)CC2 ZINC000096227925 358723810 /nfs/dbraw/zinc/72/38/10/358723810.db2.gz CSVBKHRXLQGMEM-UHFFFAOYSA-N 1 0 290.411 1.948 40 0 CDABRO c1nnc(N2C[C@@H]3C[N@H+](CC4CC4)CC[C@@H]3C2)s1 ZINC000096246233 358725471 /nfs/dbraw/zinc/72/54/71/358725471.db2.gz OFWHCFDXGDSYQG-NEPJUHHUSA-N 1 0 264.398 1.706 40 0 CDABRO CC(=O)N1C[C@H]2CCC[N@H+](Cc3cccc(C)n3)[C@H]2C1 ZINC000096246251 358725880 /nfs/dbraw/zinc/72/58/80/358725880.db2.gz NUSHNRVAUSMCED-ZBFHGGJFSA-N 1 0 273.380 1.833 40 0 CDABRO C(c1noc2c1C[N@H+](C[C@@H]1CCOC1)CC2)N1CCCC1 ZINC000096259729 358729694 /nfs/dbraw/zinc/72/96/94/358729694.db2.gz VEHWFCBHTZNXOD-ZDUSSCGKSA-N 1 0 291.395 1.665 40 0 CDABRO CCC[n+]1ccc(-c2nn3c(C)nnc3s2)cc1 ZINC000226773802 360743257 /nfs/dbraw/zinc/74/32/57/360743257.db2.gz XSEPBFSMXPRHMI-UHFFFAOYSA-N 1 0 260.346 1.859 40 0 CDABRO C[NH+](C)CCNC(=O)Cc1ccc(Cl)cc1F ZINC000169831049 365051382 /nfs/dbraw/zinc/05/13/82/365051382.db2.gz BVEBKNHWRXFTGL-UHFFFAOYSA-N 1 0 258.724 1.699 40 0 CDABRO CC(=O)NC1CCC([NH2+]CCc2ccc(CO)cc2)CC1 ZINC000133706931 365484918 /nfs/dbraw/zinc/48/49/18/365484918.db2.gz JEZJECRDYXFLAX-UHFFFAOYSA-N 1 0 290.407 1.758 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1O ZINC000205672142 373616241 /nfs/dbraw/zinc/61/62/41/373616241.db2.gz DQURTGQTPHBQKI-VXGBXAGGSA-N 1 0 268.744 1.087 40 0 CDABRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000004280292 373671556 /nfs/dbraw/zinc/67/15/56/373671556.db2.gz PCYQHVPDZYOFAK-ZDUSSCGKSA-N 1 0 280.368 1.773 40 0 CDABRO CC(C)(C)OC(C)(C)C(=O)NCc1cc(N)cc[nH+]1 ZINC000584578793 374031431 /nfs/dbraw/zinc/03/14/31/374031431.db2.gz GFILTVJXBLAVOH-UHFFFAOYSA-N 1 0 265.357 1.874 40 0 CDABRO CCN(CC)c1cc(OCC2CC[NH2+]CC2)ncn1 ZINC000079440071 374404981 /nfs/dbraw/zinc/40/49/81/374404981.db2.gz FNOKPGIVHMDHFM-UHFFFAOYSA-N 1 0 264.373 1.701 40 0 CDABRO C[NH2+]CC1(O)CCN(c2ccnc3ccc(C)nc32)CC1 ZINC000257240214 374421791 /nfs/dbraw/zinc/42/17/91/374421791.db2.gz HSOXOLHRSGYAGY-UHFFFAOYSA-N 1 0 286.379 1.489 40 0 CDABRO COC1CC[NH+](CCNC(=O)Cc2ccc(C)cc2)CC1 ZINC000079670408 374833533 /nfs/dbraw/zinc/83/35/33/374833533.db2.gz RAPMIHDFPOINDT-UHFFFAOYSA-N 1 0 290.407 1.765 40 0 CDABRO Fc1cccnc1O[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC000306131697 374969832 /nfs/dbraw/zinc/96/98/32/374969832.db2.gz KNCPSNWZMVFXKP-GXFFZTMASA-N 1 0 252.289 1.511 40 0 CDABRO Cc1ccc(OCC[C@@H](O)C[NH+]2CCN(C)CC2)cc1C ZINC000028295310 375239689 /nfs/dbraw/zinc/23/96/89/375239689.db2.gz WBYVTDDNZJEJPW-MRXNPFEDSA-N 1 0 292.423 1.681 40 0 CDABRO Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCCO1 ZINC000256054865 190005591 /nfs/dbraw/zinc/00/55/91/190005591.db2.gz YCVNVVRNZCYPQX-SECBINFHSA-N 1 0 263.263 1.708 40 0 CDABRO Cc1cc(C[C@@H]2COCC[N@@H+](C3CCOCC3)C2)ncn1 ZINC000257207618 190012497 /nfs/dbraw/zinc/01/24/97/190012497.db2.gz BIMXAPANGKSOSZ-AWEZNQCLSA-N 1 0 291.395 1.455 40 0 CDABRO O=C(Nc1cc(-c2ccccc2F)[nH]n1)[C@H]1C[NH2+]CCO1 ZINC000257197565 190010137 /nfs/dbraw/zinc/01/01/37/190010137.db2.gz CYELPCCMTPIIEQ-GFCCVEGCSA-N 1 0 290.298 1.143 40 0 CDABRO O=C(c1ccccc1Cl)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257232015 190017164 /nfs/dbraw/zinc/01/71/64/190017164.db2.gz GIZWZTCZYCKWGB-ZIAGYGMSSA-N 1 0 294.782 1.621 40 0 CDABRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000133188809 375715741 /nfs/dbraw/zinc/71/57/41/375715741.db2.gz BJWGZSWLMSQYER-NSHDSACASA-N 1 0 254.355 1.059 40 0 CDABRO Nc1cc(CC[C@H]2CN(Cc3ccccn3)CCO2)cc[nH+]1 ZINC000257243076 190018575 /nfs/dbraw/zinc/01/85/75/190018575.db2.gz IFJSECAKJCJEHH-INIZCTEOSA-N 1 0 298.390 1.892 40 0 CDABRO COCC[N@@H+]1CCC[C@@H](c2cncc(-c3cn[nH]c3)n2)C1 ZINC000257246733 190019428 /nfs/dbraw/zinc/01/94/28/190019428.db2.gz IVOUOBQUWHWJOZ-GFCCVEGCSA-N 1 0 287.367 1.693 40 0 CDABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1c[nH]cn1 ZINC000257250779 190020395 /nfs/dbraw/zinc/02/03/95/190020395.db2.gz JNYXUSMPOBVMTE-CQSZACIVSA-N 1 0 272.352 1.565 40 0 CDABRO Cc1ncc(-c2cncc(C3CC[NH2+]CC3)n2)n1C ZINC000257266692 190023574 /nfs/dbraw/zinc/02/35/74/190023574.db2.gz MEBRAJQDZDYSRT-UHFFFAOYSA-N 1 0 257.341 1.653 40 0 CDABRO Cn1nccc1C(=O)N1CCCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257253741 190021175 /nfs/dbraw/zinc/02/11/75/190021175.db2.gz KABLJILTIICQPY-HOCLYGCPSA-N 1 0 290.411 1.899 40 0 CDABRO CCOC[C@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217990392 375770975 /nfs/dbraw/zinc/77/09/75/375770975.db2.gz DAQSKKYMPSSIME-ZIAGYGMSSA-N 1 0 283.393 1.523 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000257290939 190028074 /nfs/dbraw/zinc/02/80/74/190028074.db2.gz QEZKOYZANUUZHY-AWEZNQCLSA-N 1 0 284.306 1.103 40 0 CDABRO Cc1nc([C@H]2CC[NH2+]C2)ncc1C(=O)N1CCCC1 ZINC000257293198 190028475 /nfs/dbraw/zinc/02/84/75/190028475.db2.gz QONBTZJUQGHHTD-NSHDSACASA-N 1 0 260.341 1.098 40 0 CDABRO CCn1nccc1-c1cc(C)nc([C@@H]2CC[NH2+]C2)n1 ZINC000257301756 190030395 /nfs/dbraw/zinc/03/03/95/190030395.db2.gz RZVOOVQDYGAIAZ-LLVKDONJSA-N 1 0 257.341 1.745 40 0 CDABRO O=C(Cc1cccnc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257319331 190033578 /nfs/dbraw/zinc/03/35/78/190033578.db2.gz VRXSTWMMCLFDLP-INIZCTEOSA-N 1 0 281.359 1.797 40 0 CDABRO CCN1CCC([N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257331858 190035607 /nfs/dbraw/zinc/03/56/07/190035607.db2.gz XUOQPVZQBYEZEG-ZDUSSCGKSA-N 1 0 262.401 1.992 40 0 CDABRO O=C(NC[C@@H]1C[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000096526157 256730646 /nfs/dbraw/zinc/73/06/46/256730646.db2.gz ILTARTRLDPBUMK-LSDHHAIUSA-N 1 0 258.365 1.906 40 0 CDABRO CC(C)N(CC[NH3+])Cc1cccc2c1OCCO2 ZINC000079421409 390422683 /nfs/dbraw/zinc/42/26/83/390422683.db2.gz WZXDDRDJWNQMLH-UHFFFAOYSA-N 1 0 250.342 1.627 40 0 CDABRO CC[C@H]([C@@H]([NH3+])c1ccc(N)cc1)S(=O)(=O)CC ZINC000096524942 390539862 /nfs/dbraw/zinc/53/98/62/390539862.db2.gz PIGZCAWJJHMCOH-NEPJUHHUSA-N 1 0 256.371 1.482 40 0 CDABRO COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)nc1C ZINC000072224742 390624825 /nfs/dbraw/zinc/62/48/25/390624825.db2.gz JQFGMVQWJPBHGU-UHFFFAOYSA-N 1 0 277.368 1.707 40 0 CDABRO CNC(=O)c1sc2ccccc2c1[C@H]1C[NH2+]CCO1 ZINC000072344090 390627395 /nfs/dbraw/zinc/62/73/95/390627395.db2.gz RWSGZPZIKROELC-SNVBAGLBSA-N 1 0 276.361 1.922 40 0 CDABRO O=C(C[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000072208324 390616064 /nfs/dbraw/zinc/61/60/64/390616064.db2.gz GTLQTNJYWYMNSI-HOTGVXAUSA-N 1 0 288.391 1.771 40 0 CDABRO c1cc(COC[C@H]2CCC[C@]23C[NH2+]CCO3)ccn1 ZINC000096160028 390947546 /nfs/dbraw/zinc/94/75/46/390947546.db2.gz YEPHJZWQXAVDIR-CABCVRRESA-N 1 0 262.353 1.757 40 0 CDABRO O=C(CCn1cnc2ccccc21)N[C@@H]1CCC[NH2+]C1 ZINC000238092967 390903681 /nfs/dbraw/zinc/90/36/81/390903681.db2.gz JJWDIRCHVMHAOZ-GFCCVEGCSA-N 1 0 272.352 1.295 40 0 CDABRO CC[NH+](CC)CCCNCC(=O)Nc1cc(C)on1 ZINC000026439616 391105963 /nfs/dbraw/zinc/10/59/63/391105963.db2.gz REYQXKJNEBTFNM-UHFFFAOYSA-N 1 0 268.361 1.243 40 0 CDABRO CCN(CC)C(=O)C[NH+]1CCC2(CC1)OCCC[C@H]2OC ZINC000257322744 391650040 /nfs/dbraw/zinc/65/00/40/391650040.db2.gz WHFFMJXBCLENGV-CQSZACIVSA-N 1 0 298.427 1.515 40 0 CDABRO C[C@H](O)C[NH2+]CCNCc1c(F)cccc1Cl ZINC000022075253 171352310 /nfs/dbraw/zinc/35/23/10/171352310.db2.gz RYPMVLLDSFZRQI-VIFPVBQESA-N 1 0 260.740 1.539 40 0 CDABRO COc1ccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022174875 171369895 /nfs/dbraw/zinc/36/98/95/171369895.db2.gz SDSLHHOEKIAOFX-HUBLWGQQSA-N 1 0 264.369 1.804 40 0 CDABRO C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000037469288 173227374 /nfs/dbraw/zinc/22/73/74/173227374.db2.gz KUQIDUMJSUXMMY-UHFFFAOYSA-N 1 0 260.384 1.121 40 0 CDABRO COc1ccccc1CN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000038059152 174069311 /nfs/dbraw/zinc/06/93/11/174069311.db2.gz VHRJGSTYFKDSDT-ZDUSSCGKSA-N 1 0 250.342 1.637 40 0 CDABRO Cc1ccc(CN(C)C[C@]2(O)CCC[N@H+](C)C2)o1 ZINC000046087365 175392018 /nfs/dbraw/zinc/39/20/18/175392018.db2.gz CXHZLDMQJPLJRK-AWEZNQCLSA-N 1 0 252.358 1.477 40 0 CDABRO Brc1ccc(C[C@H]2C[NH2+]CCO2)cc1 ZINC000071577317 176205453 /nfs/dbraw/zinc/20/54/53/176205453.db2.gz WHCQUFGJLIZABU-NSHDSACASA-N 1 0 256.143 1.980 40 0 CDABRO COC[C@@H]1C[NH2+]CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000072343697 176372145 /nfs/dbraw/zinc/37/21/45/176372145.db2.gz JSBXLQALPQEFEM-CYBMUJFWSA-N 1 0 296.798 1.577 40 0 CDABRO CN(C)C(=O)CCc1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072344282 176372778 /nfs/dbraw/zinc/37/27/78/176372778.db2.gz WPPRVTQVBKXHKN-GFCCVEGCSA-N 1 0 261.369 1.569 40 0 CDABRO O=C(c1cccc([C@@H]2CCC[NH2+]C2)n1)N1CCOCC1 ZINC000072348381 176373009 /nfs/dbraw/zinc/37/30/09/176373009.db2.gz KCUVNTMBAREIGE-GFCCVEGCSA-N 1 0 275.352 1.021 40 0 CDABRO COCC[NH+]1CCC(c2cccc(CCC(N)=O)n2)CC1 ZINC000072360457 176376928 /nfs/dbraw/zinc/37/69/28/176376928.db2.gz PPARGDIMRSMPEN-UHFFFAOYSA-N 1 0 291.395 1.325 40 0 CDABRO CC(C)C[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000072361112 176377036 /nfs/dbraw/zinc/37/70/36/176377036.db2.gz JHLVOVDNOCGKPH-SNVBAGLBSA-N 1 0 250.346 1.344 40 0 CDABRO NC(=O)c1cccc(-c2cncc(CC[C@@H]3CCC[NH2+]3)n2)c1 ZINC000072365527 176380815 /nfs/dbraw/zinc/38/08/15/176380815.db2.gz JDXUVMTXXNVPIK-AWEZNQCLSA-N 1 0 296.374 1.927 40 0 CDABRO NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[NH2+]C1 ZINC000072391941 176394092 /nfs/dbraw/zinc/39/40/92/176394092.db2.gz XDCSJDURAISEGV-KRWDZBQOSA-N 1 0 296.374 1.541 40 0 CDABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cnco1 ZINC000257265558 277070867 /nfs/dbraw/zinc/07/08/67/277070867.db2.gz LZEBZQQWJWOOGY-JSGCOSHPSA-N 1 0 263.341 1.764 40 0 CDABRO C[N@@H+]1CCC[C@H]1c1ccc(N2CCC(C(N)=O)CC2)cn1 ZINC000257257883 277082602 /nfs/dbraw/zinc/08/26/02/277082602.db2.gz KRMBFJPSEJPCMT-HNNXBMFYSA-N 1 0 288.395 1.550 40 0 CDABRO COc1ccc(OC)c2c(N3CC[NH2+]CC3)ccnc12 ZINC000077255283 277920525 /nfs/dbraw/zinc/92/05/25/277920525.db2.gz NQBMNIADRJOHSP-UHFFFAOYSA-N 1 0 273.336 1.662 40 0 CDABRO COc1ccc2nc(N3CC[NH+](C)CC3)c(C)nc2c1 ZINC000292643678 278004117 /nfs/dbraw/zinc/00/41/17/278004117.db2.gz BVBOWYJIGPUWAB-UHFFFAOYSA-N 1 0 272.352 1.699 40 0 CDABRO CC[NH+](CC)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000004280271 279133448 /nfs/dbraw/zinc/13/34/48/279133448.db2.gz LEIZMQQJZKZPKQ-AWEZNQCLSA-N 1 0 280.368 1.727 40 0 CDABRO CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)C[NH3+] ZINC000079390867 279219030 /nfs/dbraw/zinc/21/90/30/279219030.db2.gz KBQMPBJMSADWPO-LBPRGKRZSA-N 1 0 299.415 1.441 40 0 CDABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(CCO)C[C@@H]12 ZINC000107260334 290252771 /nfs/dbraw/zinc/25/27/71/290252771.db2.gz KTKVBRBKVDEJEQ-HZPDHXFCSA-N 1 0 260.381 1.327 40 0 CDABRO Cc1cc(C)cc(CN2CC[C@H](C[NH3+])S2(=O)=O)c1 ZINC000260784078 328069181 /nfs/dbraw/zinc/06/91/81/328069181.db2.gz USXZDEDICGKISS-CYBMUJFWSA-N 1 0 268.382 1.166 40 0 CDABRO C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000247354636 524521368 /nfs/dbraw/zinc/52/13/68/524521368.db2.gz HDCYVZHEHHPOQK-VNQPRFMTSA-N 1 0 298.390 1.993 40 0 CDABRO CCC[C@H]1CN(C(=O)[C@@H]([NH3+])CCSC)CCO1 ZINC000158056836 528396620 /nfs/dbraw/zinc/39/66/20/528396620.db2.gz JIMNUTUPCVBHIQ-QWRGUYRKSA-N 1 0 260.403 1.094 40 0 CDABRO C[N@@H+]1CCC[C@@H](Cc2ccc(N3CCOCC3)nn2)C1 ZINC000072386622 536364691 /nfs/dbraw/zinc/36/46/91/536364691.db2.gz BHXBRLRAOWFXIG-ZDUSSCGKSA-N 1 0 276.384 1.198 40 0 CDABRO O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[NH2+]C[C@@H]2C1 ZINC000088385648 1161390112 /nfs/dbraw/zinc/39/01/12/1161390112.db2.gz GOYASQWDLRLAPK-YPMHNXCESA-N 1 0 267.332 1.617 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC/C=C/c1ccccc1 ZINC001548448054 969400158 /nfs/dbraw/zinc/40/01/58/969400158.db2.gz JHBRNYDEDNAXRU-KOMYPQRHSA-N 1 0 274.364 1.583 40 0 CDABRO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21 ZINC000096080552 185091395 /nfs/dbraw/zinc/09/13/95/185091395.db2.gz VGKQIWWCSFBJTP-KGLIPLIRSA-N 1 0 259.353 1.494 40 0 CDABRO c1coc(C[N@H+]2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)c1 ZINC000096108272 185099726 /nfs/dbraw/zinc/09/97/26/185099726.db2.gz IHMDHSMIQXDVSX-ZBFHGGJFSA-N 1 0 292.379 1.060 40 0 CDABRO O=C(NCc1ccccc1)c1nc2c(s1)CC[NH2+]CC2 ZINC000096146933 185106904 /nfs/dbraw/zinc/10/69/04/185106904.db2.gz SMCDOVANZKRRDD-UHFFFAOYSA-N 1 0 287.388 1.761 40 0 CDABRO CO[C@H]1C[N@H+](Cc2ncccc2C)C[C@H]1CC(=O)N(C)C ZINC000585276546 342256376 /nfs/dbraw/zinc/25/63/76/342256376.db2.gz PPJNLIIJWJLLDM-HIFRSBDPSA-N 1 0 291.395 1.315 40 0 CDABRO CCn1cc(C[N@@H+]2CCC[C@]2(COC)CC(=O)NC)cn1 ZINC000585279539 342256945 /nfs/dbraw/zinc/25/69/45/342256945.db2.gz ZWSGMIXHWPRIFW-OAHLLOKOSA-N 1 0 294.399 1.020 40 0 CDABRO CC(C)C[C@H](C(=O)[O-])[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000629487262 362101409 /nfs/dbraw/zinc/10/14/09/362101409.db2.gz AIDKOOWAPGDJJH-CYBMUJFWSA-N 1 0 256.390 1.948 40 0 CDABRO CC(C)[N@H+]1Cc2ncn(C)c2[C@@H](C(=O)NCC2CCC2)C1 ZINC000248063313 362147857 /nfs/dbraw/zinc/14/78/57/362147857.db2.gz VHFNGSWRUVBBAZ-ZDUSSCGKSA-N 1 0 290.411 1.644 40 0 CDABRO CN1CC[NH2+]CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000067425109 290060275 /nfs/dbraw/zinc/06/02/75/290060275.db2.gz DMXYUAATJHYZKB-UHFFFAOYSA-N 1 0 269.389 1.291 40 0 CDABRO Cc1nnn2c1COC[C@H](C[NH2+]Cc1ccco1)C2 ZINC000096061111 282369897 /nfs/dbraw/zinc/36/98/97/282369897.db2.gz RPSPYSKZTUQFGZ-LLVKDONJSA-N 1 0 262.313 1.116 40 0 CDABRO CC[NH2+][C@@H]1CCOC2(CCN(c3cc(C)ncn3)CC2)C1 ZINC000257259183 362580599 /nfs/dbraw/zinc/58/05/99/362580599.db2.gz KXFKOHDWUZLLLV-CQSZACIVSA-N 1 0 290.411 1.913 40 0 CDABRO OC1CCN(c2cncc(CC[C@@H]3CCC[NH2+]3)n2)CC1 ZINC000072386676 136481356 /nfs/dbraw/zinc/48/13/56/136481356.db2.gz IYOAYUWVYVQRGE-LBPRGKRZSA-N 1 0 276.384 1.122 40 0 CDABRO CO[C@@H]1C[N@H+](Cc2scnc2C)[C@@H]2CCCO[C@H]12 ZINC000107716919 186188591 /nfs/dbraw/zinc/18/85/91/186188591.db2.gz BSNWPJOPLDFQDX-WZRBSPASSA-N 1 0 268.382 1.830 40 0 CDABRO Cc1csc(C[N@@H+]2CCC[C@@]3(CCNC3=O)CC2)n1 ZINC000108525629 186220833 /nfs/dbraw/zinc/22/08/33/186220833.db2.gz QDMHAJPFWOMLBX-CQSZACIVSA-N 1 0 279.409 1.944 40 0 CDABRO Cc1ncc(C[NH+]2CCC3(CCCNC3=O)CC2)cn1 ZINC000108525897 186220873 /nfs/dbraw/zinc/22/08/73/186220873.db2.gz PVMKYUULBYQXNA-UHFFFAOYSA-N 1 0 274.368 1.277 40 0 CDABRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCN(C)C1=O ZINC000136449151 363080295 /nfs/dbraw/zinc/08/02/95/363080295.db2.gz NNIKQRNRXYDFIM-SMDDNHRTSA-N 1 0 262.353 1.534 40 0 CDABRO CCOC(=O)C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000001705547 355949103 /nfs/dbraw/zinc/94/91/03/355949103.db2.gz DQQMUKDYUGBROV-UHFFFAOYSA-N 1 0 263.337 1.577 40 0 CDABRO Cc1ccc2c(c1)C(=O)N[C@@]1(CC[C@H]3C[NH2+]C[C@H]31)N2 ZINC000019218735 356477248 /nfs/dbraw/zinc/47/72/48/356477248.db2.gz SPJGJEKIJAOKSK-JVLSTEMRSA-N 1 0 257.337 1.476 40 0 CDABRO CN(CCc1ccccc1)C(=O)[C@@H]1C[NH2+]Cc2c[nH]nc21 ZINC000019701813 356496025 /nfs/dbraw/zinc/49/60/25/356496025.db2.gz STWMARMCEVRUAT-CQSZACIVSA-N 1 0 284.363 1.298 40 0 CDABRO S=c1oc(-c2ccncc2)nn1CN1CC[NH2+]CC1 ZINC000019690801 356496179 /nfs/dbraw/zinc/49/61/79/356496179.db2.gz KFYFVHRLWXUELK-UHFFFAOYSA-N 1 0 277.353 1.130 40 0 CDABRO [NH3+]CCN1C(=O)O[C@@H](c2ccc(Cl)cc2)C1=O ZINC000039320060 356972662 /nfs/dbraw/zinc/97/26/62/356972662.db2.gz OJRLTIOKXKWFAO-VIFPVBQESA-N 1 0 254.673 1.319 40 0 CDABRO CCN(C[C@H]1CCCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408476 356992202 /nfs/dbraw/zinc/99/22/02/356992202.db2.gz JIPNMEKCUCIOFP-ZDUSSCGKSA-N 1 0 285.432 1.914 40 0 CDABRO CC(C)N(Cc1ccc(Cl)nc1)C(=O)[C@H](C)[NH3+] ZINC000079421612 356996323 /nfs/dbraw/zinc/99/63/23/356996323.db2.gz GSABKAGUXFQKTC-VIFPVBQESA-N 1 0 255.749 1.819 40 0 CDABRO CC(C)(C)OC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000002569683 357153336 /nfs/dbraw/zinc/15/33/36/357153336.db2.gz ITPFEPDHSLWUED-NEPJUHHUSA-N 1 0 251.326 1.259 40 0 CDABRO COC(=O)Cn1nc(C)c([C@@H]2CCCCC[NH2+]2)c1C ZINC000217459399 357497415 /nfs/dbraw/zinc/49/74/15/357497415.db2.gz IQRZJNDQOQZQPW-LBPRGKRZSA-N 1 0 265.357 1.878 40 0 CDABRO CNc1nccnc1[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000072364349 357830625 /nfs/dbraw/zinc/83/06/25/357830625.db2.gz TWNURECLJDDFOV-GFCCVEGCSA-N 1 0 262.357 1.834 40 0 CDABRO CC[NH+](CC)CCNCC(=O)N1CCCc2ccccc21 ZINC000022586234 358051388 /nfs/dbraw/zinc/05/13/88/358051388.db2.gz YJANTIPTDHHYNX-UHFFFAOYSA-N 1 0 289.423 1.897 40 0 CDABRO CC(C)CNC(=O)c1nc2c(s1)CC[NH2+]CC2 ZINC000096146970 358709310 /nfs/dbraw/zinc/70/93/10/358709310.db2.gz TUGFPTIEIKYHSY-UHFFFAOYSA-N 1 0 253.371 1.217 40 0 CDABRO COc1ncccc1C[NH+]1CCC2(CCNC2=O)CC1 ZINC000096157708 358710182 /nfs/dbraw/zinc/71/01/82/358710182.db2.gz QPVXLVJCZAEJFD-UHFFFAOYSA-N 1 0 275.352 1.192 40 0 CDABRO COC[C@@H]1Cn2nccc2CN(Cc2nccs2)C1 ZINC000096188888 358714984 /nfs/dbraw/zinc/71/49/84/358714984.db2.gz BJKFICUOLDMVFB-NSHDSACASA-N 1 0 278.381 1.618 40 0 CDABRO Cn1cc(CN2CCO[C@@H]3C[N@@H+](C4CCC4)C[C@@H]3C2)cn1 ZINC000096209780 358720946 /nfs/dbraw/zinc/72/09/46/358720946.db2.gz IFFSVIXFVPTPSE-GOEBONIOSA-N 1 0 290.411 1.105 40 0 CDABRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)CCO[C@@H]3C2)cc(C)n1 ZINC000096209927 358721191 /nfs/dbraw/zinc/72/11/91/358721191.db2.gz CFLOXESYCJBFIA-LSDHHAIUSA-N 1 0 289.379 1.101 40 0 CDABRO CN1CCOCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096226205 358723131 /nfs/dbraw/zinc/72/31/31/358723131.db2.gz CQNVXKNQWWZEGT-UHFFFAOYSA-N 1 0 275.352 1.018 40 0 CDABRO Cn1cc(N2C[C@@]3(CC[N@H+](CC4CC4)C3)CC2=O)cn1 ZINC000096239323 358725128 /nfs/dbraw/zinc/72/51/28/358725128.db2.gz WEOYGRXWWHIMBE-HNNXBMFYSA-N 1 0 274.368 1.259 40 0 CDABRO COc1ncnc2c1CC[N@H+](Cc1ccc(C)o1)CC2 ZINC000096255559 358728847 /nfs/dbraw/zinc/72/88/47/358728847.db2.gz DJVFPBGRADSNHN-UHFFFAOYSA-N 1 0 273.336 1.987 40 0 CDABRO C[C@@H]1CN([C@H](C[NH3+])c2ccccc2F)C[C@@H](C)O1 ZINC000019271907 358895142 /nfs/dbraw/zinc/89/51/42/358895142.db2.gz BINUIMUTYHIZNB-JTNHKYCSSA-N 1 0 252.333 1.935 40 0 CDABRO Cc1ccc(CC(=O)NCCCN2CCOCC2)c(C)c1 ZINC000223111113 359401847 /nfs/dbraw/zinc/40/18/47/359401847.db2.gz MSLWXVCRFVTIPF-UHFFFAOYSA-N 1 0 290.407 1.684 40 0 CDABRO COc1cccnc1NC(=S)NCCC[NH+]1CCCC1 ZINC000225435443 359588890 /nfs/dbraw/zinc/58/88/90/359588890.db2.gz WUPYSNKJSOCROB-UHFFFAOYSA-N 1 0 294.424 1.863 40 0 CDABRO CC(C)CC[N@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1C(=O)N2C ZINC000514290374 360126392 /nfs/dbraw/zinc/12/63/92/360126392.db2.gz ZGECPIRXDARPGX-KGLIPLIRSA-N 1 0 289.379 1.645 40 0 biogenic,in-vitro CDABRO C[C@@H]([NH3+])C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000157427840 296013893 /nfs/dbraw/zinc/01/38/93/296013893.db2.gz JJOWOVLCKLXQBM-PWSUYJOCSA-N 1 0 252.314 1.134 40 0 CDABRO CCn1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)c(C)n1 ZINC000575410775 364761079 /nfs/dbraw/zinc/76/10/79/364761079.db2.gz GUBDURSYIGNNGO-JTQLQIEISA-N 1 0 261.329 1.728 40 0 CDABRO C[C@@H]1CC[NH2+]C[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000217680040 189711230 /nfs/dbraw/zinc/71/12/30/189711230.db2.gz UOSNPYUZLQLHQU-DOMZBBRYSA-N 1 0 258.365 1.817 40 0 CDABRO CO[C@H]1CCN(C(=O)Cc2cccs2)[C@H](C[NH3+])C1 ZINC000161112517 367123062 /nfs/dbraw/zinc/12/30/62/367123062.db2.gz UKLNDPHLDGONKK-QWRGUYRKSA-N 1 0 268.382 1.255 40 0 CDABRO COCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224698578 189742601 /nfs/dbraw/zinc/74/26/01/189742601.db2.gz XXMVQYXUZFGHMP-UHFFFAOYSA-N 1 0 276.380 1.935 40 0 CDABRO OC[C@H]([NH2+]CCO[C@H]1CCCCO1)c1ccsc1 ZINC000225532229 189756540 /nfs/dbraw/zinc/75/65/40/189756540.db2.gz PMJUCVRJFXGTKZ-STQMWFEESA-N 1 0 271.382 1.914 40 0 CDABRO Cc1cc(C)c(C(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)c1 ZINC000333212697 205122578 /nfs/dbraw/zinc/12/25/78/205122578.db2.gz QBLMAJXQCVGVLV-AWEZNQCLSA-N 1 0 276.380 1.720 40 0 CDABRO Cc1nn(C)cc1C[NH2+]Cc1ccnn1CC(C)C ZINC000256049937 190003338 /nfs/dbraw/zinc/00/33/38/190003338.db2.gz BZZRKBWRLITLKT-UHFFFAOYSA-N 1 0 261.373 1.871 40 0 CDABRO Cc1ncoc1C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257203959 190011635 /nfs/dbraw/zinc/01/16/35/190011635.db2.gz ASJJGHOGYBACHR-JHJVBQTASA-N 1 0 293.367 1.091 40 0 CDABRO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000257204024 190011907 /nfs/dbraw/zinc/01/19/07/190011907.db2.gz ASSUOFWNRRCKNN-NSHDSACASA-N 1 0 257.341 1.951 40 0 CDABRO CC[C@@H](C)NC(=O)CCNC(=[NH2+])NCc1ccccc1 ZINC000058329450 375730698 /nfs/dbraw/zinc/73/06/98/375730698.db2.gz HQIJEJREEIOXIJ-GFCCVEGCSA-N 1 0 276.384 1.605 40 0 CDABRO CCNC(=O)c1cnc(C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000257241129 190018348 /nfs/dbraw/zinc/01/83/48/190018348.db2.gz HWRQIIXXWVPGFA-LLVKDONJSA-N 1 0 262.357 1.111 40 0 CDABRO CCOC[C@]1([NH3+])C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217993112 375772929 /nfs/dbraw/zinc/77/29/29/375772929.db2.gz ROTMIRMNNONLBQ-QWHCGFSZSA-N 1 0 269.366 1.275 40 0 CDABRO CN(C)C(=O)[C@@H]1CN(Cc2ccsc2)CC[N@H+](C)C1 ZINC000257275081 190024565 /nfs/dbraw/zinc/02/45/65/190024565.db2.gz NNVKGWFZLBKZTP-ZDUSSCGKSA-N 1 0 281.425 1.200 40 0 CDABRO Cn1nccc1-c1ccc(C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000257312620 190031919 /nfs/dbraw/zinc/03/19/19/190031919.db2.gz UOUZSAZBMASKFD-ZDUSSCGKSA-N 1 0 256.353 1.976 40 0 CDABRO C[N@@H+]1CCC[C@H](c2ccnc(C(=O)NC3CC3)c2)C1 ZINC000257315183 190032587 /nfs/dbraw/zinc/03/25/87/190032587.db2.gz VAGVCNPAKVRPBT-LBPRGKRZSA-N 1 0 259.353 1.783 40 0 CDABRO C[C@H]1CC2(CN1S(=O)(=O)CCC1CC1)CC[NH2+]CC2 ZINC000335031070 377780503 /nfs/dbraw/zinc/78/05/03/377780503.db2.gz FLYFMNHRIHOBMG-LBPRGKRZSA-N 1 0 286.441 1.580 40 0 CDABRO C[NH+](C)[C@H]1COC2(C1)CCN(C(=O)c1ccccn1)CC2 ZINC000063527049 378303275 /nfs/dbraw/zinc/30/32/75/378303275.db2.gz YVHWRJATGHWELC-CYBMUJFWSA-N 1 0 289.379 1.407 40 0 CDABRO CCN(C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1)C(C)=O ZINC000079417966 285022423 /nfs/dbraw/zinc/02/24/23/285022423.db2.gz XPNHQZRZNLMVED-KBPBESRZSA-N 1 0 283.416 1.077 40 0 CDABRO CC(C)c1noc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000096516263 390534363 /nfs/dbraw/zinc/53/43/63/390534363.db2.gz JHZJYXGHJGFZNG-SECBINFHSA-N 1 0 262.317 1.376 40 0 CDABRO CC[C@H](O)c1ccc(N2CC[NH+](CC)CC2)nc1C ZINC000072224674 390625049 /nfs/dbraw/zinc/62/50/49/390625049.db2.gz XITITTXYHFCXGU-AWEZNQCLSA-N 1 0 263.385 1.975 40 0 CDABRO Cc1ocnc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000332813321 390978584 /nfs/dbraw/zinc/97/85/84/390978584.db2.gz QAOUKPKTNQHFDU-GWCFXTLKSA-N 1 0 280.372 1.465 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000257329548 391649489 /nfs/dbraw/zinc/64/94/89/391649489.db2.gz XKKGFXGMBLNFLO-ZDUSSCGKSA-N 1 0 290.354 1.337 40 0 CDABRO CCCNc1ncc(C[NH2+]C[C@H]2CCCN2CC)cn1 ZINC000062718472 392804428 /nfs/dbraw/zinc/80/44/28/392804428.db2.gz SFJORGVBQSDTGK-CQSZACIVSA-N 1 0 277.416 1.872 40 0 CDABRO CCOc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000005250954 170079789 /nfs/dbraw/zinc/07/97/89/170079789.db2.gz RMCQHBLDHYNYLD-UHFFFAOYSA-N 1 0 293.367 1.092 40 0 CDABRO COc1cc(-c2n[nH]c3c2C[NH2+]CC3)cc(OC)c1OC ZINC000020221841 171084313 /nfs/dbraw/zinc/08/43/13/171084313.db2.gz KDJOHKLPAUFZMI-UHFFFAOYSA-N 1 0 289.335 1.748 40 0 CDABRO CCOc1ccc(CNCC[NH2+]C[C@H](C)O)cc1 ZINC000022075404 171352242 /nfs/dbraw/zinc/35/22/42/171352242.db2.gz KCYGEFFBHRUYDG-LBPRGKRZSA-N 1 0 252.358 1.145 40 0 CDABRO COCC[NH+]1CCC(CNC(=O)c2cc(C)oc2C)CC1 ZINC000038582800 174148755 /nfs/dbraw/zinc/14/87/55/174148755.db2.gz JTYOVFCTOXEUKZ-UHFFFAOYSA-N 1 0 294.395 1.985 40 0 CDABRO CN(C)S(=O)(=O)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000044029911 175138797 /nfs/dbraw/zinc/13/87/97/175138797.db2.gz NPLRSXXICVDHJC-LBPRGKRZSA-N 1 0 298.408 1.315 40 0 CDABRO [NH3+]CCCN1CCN(C(=O)OCc2ccccc2)CC1 ZINC000044563871 175207248 /nfs/dbraw/zinc/20/72/48/175207248.db2.gz BNRXWVARIROIGZ-UHFFFAOYSA-N 1 0 277.368 1.290 40 0 CDABRO OCC[N@@H+]1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360934 176376660 /nfs/dbraw/zinc/37/66/60/176376660.db2.gz ZEZYWSFBYKUCPO-CYBMUJFWSA-N 1 0 299.378 1.787 40 0 CDABRO Cn1cc(C(=O)N2CCC[C@H](CC[NH+](C)C)C2)cn1 ZINC000072368557 176383669 /nfs/dbraw/zinc/38/36/69/176383669.db2.gz KEUHJHGCENSHCA-GFCCVEGCSA-N 1 0 264.373 1.224 40 0 CDABRO Cc1c[nH]nc1[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000072385604 176390233 /nfs/dbraw/zinc/39/02/33/176390233.db2.gz NTUCZJAXXRZHRA-AWEZNQCLSA-N 1 0 290.411 1.766 40 0 CDABRO Nc1ccc(C[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)nn1 ZINC000072387285 176392849 /nfs/dbraw/zinc/39/28/49/176392849.db2.gz YETUVDRDWSAMNR-NSHDSACASA-N 1 0 272.356 1.237 40 0 CDABRO CC[N@H+](CCO)Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392677 176394367 /nfs/dbraw/zinc/39/43/67/176394367.db2.gz QEFYRTXJKLOSKX-UHFFFAOYSA-N 1 0 297.362 1.606 40 0 CDABRO Cc1cc(=O)[nH]c(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000072397462 176394736 /nfs/dbraw/zinc/39/47/36/176394736.db2.gz YVKFYKPBUNCPHY-UHFFFAOYSA-N 1 0 298.390 1.791 40 0 CDABRO Cc1nonc1CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000072398014 176396014 /nfs/dbraw/zinc/39/60/14/176396014.db2.gz LKHKLPHUSCISAL-UHFFFAOYSA-N 1 0 280.372 1.252 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCO)C1 ZINC000079407993 177480696 /nfs/dbraw/zinc/48/06/96/177480696.db2.gz INVANCCBUSPUNE-GFCCVEGCSA-N 1 0 272.389 1.700 40 0 CDABRO CCOc1ccc(CNCC[NH2+]C[C@@H](C)O)cc1 ZINC000022075402 262344470 /nfs/dbraw/zinc/34/44/70/262344470.db2.gz KCYGEFFBHRUYDG-GFCCVEGCSA-N 1 0 252.358 1.145 40 0 CDABRO FC1(F)CC[NH2+]C[C@@]12CCN(c1ccccn1)C2 ZINC000096239809 265346080 /nfs/dbraw/zinc/34/60/80/265346080.db2.gz APBWPTYMNXLBPL-GFCCVEGCSA-N 1 0 253.296 1.907 40 0 CDABRO CCOC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])C1 ZINC000095743099 276287367 /nfs/dbraw/zinc/28/73/67/276287367.db2.gz LJJYOYONMCBZHC-GMTAPVOTSA-N 1 0 286.372 1.570 40 0 CDABRO CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+](C)C ZINC000030882629 278505861 /nfs/dbraw/zinc/50/58/61/278505861.db2.gz MNQRDTFDSRXTSC-JYJNAYRXSA-N 1 0 296.455 1.901 40 0 biogenic,in-vitro CDABRO CN(C)C(=O)[C@H]1CCC2(CC[NH+](CC3CC3)CC2)O1 ZINC000096061151 281989844 /nfs/dbraw/zinc/98/98/44/281989844.db2.gz RJHGGJSQWXSGIP-CYBMUJFWSA-N 1 0 266.385 1.498 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2ccccn2)N1 ZINC000022238411 295210631 /nfs/dbraw/zinc/21/06/31/295210631.db2.gz JNWSIIDYUSTNHV-LBPRGKRZSA-N 1 0 292.302 1.079 40 0 CDABRO Cc1nnc2c(N[C@@H](C[NH3+])C3CCCCC3)nccn12 ZINC000155835929 526409645 /nfs/dbraw/zinc/40/96/45/526409645.db2.gz RVLZXDAFQPGLEK-LBPRGKRZSA-N 1 0 274.372 1.752 40 0 CDABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccccc1Br ZINC000062713663 527221044 /nfs/dbraw/zinc/22/10/44/527221044.db2.gz PXPSEJWVEOZNCR-MWLCHTKSSA-N 1 0 256.143 1.874 40 0 CDABRO [NH3+]C[C@H](NC(=O)c1ccc(Cl)cn1)C1CCCC1 ZINC000236265636 527227550 /nfs/dbraw/zinc/22/75/50/527227550.db2.gz IDHGRFCJVRVAAH-LBPRGKRZSA-N 1 0 267.760 1.982 40 0 CDABRO C[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000111795564 538162695 /nfs/dbraw/zinc/16/26/95/538162695.db2.gz KUEXQFQDEIKDOW-JTQLQIEISA-N 1 0 298.333 1.911 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)c(SC)c1 ZINC001548448175 967501264 /nfs/dbraw/zinc/50/12/64/967501264.db2.gz RVWNWKQMOXIGDM-GHMZBOCLSA-N 1 0 284.356 1.264 40 0 CDABRO Fc1ccccc1Cn1cnnc1[C@@H]1CCC[NH2+]C1 ZINC000082569460 178103596 /nfs/dbraw/zinc/10/35/96/178103596.db2.gz RVIWKGAAOOJPTQ-LLVKDONJSA-N 1 0 260.316 1.933 40 0 CDABRO Cn1cc(N2CC[C@@]3(CCC[N@H+](CC4CC4)C3)C2=O)cn1 ZINC000096048785 185073222 /nfs/dbraw/zinc/07/32/22/185073222.db2.gz BIFFUCWEONSNEB-MRXNPFEDSA-N 1 0 288.395 1.649 40 0 CDABRO COC[C@H]1CC2(CO1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096105750 185098647 /nfs/dbraw/zinc/09/86/47/185098647.db2.gz DNJPWPLGXJLKDM-CQSZACIVSA-N 1 0 279.384 1.438 40 0 CDABRO C[NH+](C)C(C)(C)CNC(=O)c1c(O)cccc1F ZINC000163727769 361992617 /nfs/dbraw/zinc/99/26/17/361992617.db2.gz KECLIAJCWXLVOH-UHFFFAOYSA-N 1 0 254.305 1.601 40 0 CDABRO C[N@H+](Cc1cnccn1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000585182310 342232616 /nfs/dbraw/zinc/23/26/16/342232616.db2.gz SGOQICKQEWNCPH-OAHLLOKOSA-N 1 0 283.379 1.972 40 0 CDABRO CO[C@H]1C[N@H+](CCC(N)=O)CC[C@@H]1Cc1ccccc1C ZINC000585276579 342256435 /nfs/dbraw/zinc/25/64/35/342256435.db2.gz BLXWANLWUAYTJQ-CVEARBPZSA-N 1 0 290.407 1.750 40 0 CDABRO Cc1ccccc1C[C@H]1CC[N@H+](CCC(N)=O)C[C@H]1O ZINC000585279813 342257732 /nfs/dbraw/zinc/25/77/32/342257732.db2.gz ZCDJHQMCQTYAHU-HUUCEWRRSA-N 1 0 276.380 1.096 40 0 CDABRO C[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)CN1CCOCC1 ZINC000155937104 351427731 /nfs/dbraw/zinc/42/77/31/351427731.db2.gz ZRKWEBQZZDLLQJ-AWEZNQCLSA-N 1 0 298.427 1.230 40 0 CDABRO COc1ccc2c(c1)CCN2C(=O)[C@@H]([NH3+])CC(C)C ZINC000154056273 188119547 /nfs/dbraw/zinc/11/95/47/188119547.db2.gz JWUYXPVWKSFZMR-ZDUSSCGKSA-N 1 0 262.353 1.958 40 0 CDABRO C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1csnn1 ZINC000334006006 363341298 /nfs/dbraw/zinc/34/12/98/363341298.db2.gz UCTLGZWWHKPGPF-JTQLQIEISA-N 1 0 294.424 1.980 40 0 CDABRO CCOC(=O)C1=C(O)CC[N@@H+](C2CCCCC2)C1 ZINC000001871876 355953680 /nfs/dbraw/zinc/95/36/80/355953680.db2.gz BWZZQXMAXGUYQV-LBPRGKRZSA-N 1 0 253.342 1.773 40 0 CDABRO COc1ccc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3C2)cc1 ZINC000012113715 356287406 /nfs/dbraw/zinc/28/74/06/356287406.db2.gz MBVTVZZBIMIPAV-UHFFFAOYSA-N 1 0 285.347 1.645 40 0 CDABRO Cc1c(C(=O)NCc2ccccc2C[NH+](C)C)cnn1C ZINC000019553500 356491118 /nfs/dbraw/zinc/49/11/18/356491118.db2.gz VLPOYACIQVHPJK-UHFFFAOYSA-N 1 0 286.379 1.720 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1ccco1)C1CC1 ZINC000079436307 356996157 /nfs/dbraw/zinc/99/61/57/356996157.db2.gz UFLXJCSZWABVTC-ZDUSSCGKSA-N 1 0 264.325 1.437 40 0 CDABRO CCCNC(=S)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000055032061 357326854 /nfs/dbraw/zinc/32/68/54/357326854.db2.gz KCSMEDWBXBCAIT-UHFFFAOYSA-N 1 0 293.440 1.530 40 0 CDABRO COc1cc(C=O)ccc1OCCCN1CC[NH+](C)CC1 ZINC000019798113 358143406 /nfs/dbraw/zinc/14/34/06/358143406.db2.gz UIQSXFRSFWMZJH-UHFFFAOYSA-N 1 0 292.379 1.524 40 0 CDABRO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082334430 358160685 /nfs/dbraw/zinc/16/06/85/358160685.db2.gz OSZMTRSQMDESOK-LLVKDONJSA-N 1 0 276.336 1.754 40 0 CDABRO CO[C@H]1C[N@H+](Cc2scnc2C)[C@@H]2CCCO[C@@H]21 ZINC000096187009 358715318 /nfs/dbraw/zinc/71/53/18/358715318.db2.gz BSNWPJOPLDFQDX-MDZLAQPJSA-N 1 0 268.382 1.830 40 0 CDABRO Cc1noc(C)c1C[N@@H+]1CCc2ncnc(C)c2CC1 ZINC000096254950 358727842 /nfs/dbraw/zinc/72/78/42/358727842.db2.gz AVBOWMRYXNGZED-UHFFFAOYSA-N 1 0 272.352 1.991 40 0 CDABRO NC(=O)[C@H](O[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000217520869 358809820 /nfs/dbraw/zinc/80/98/20/358809820.db2.gz ZUKXEVOLGLXVLK-NWDGAFQWSA-N 1 0 268.744 1.635 40 0 CDABRO [NH3+]C[C@@H]1CCN(c2ccc(Cl)cc2)S1(=O)=O ZINC000222543431 359353281 /nfs/dbraw/zinc/35/32/81/359353281.db2.gz DWDWWRYQUYPEGJ-JTQLQIEISA-N 1 0 260.746 1.207 40 0 CDABRO [NH3+]C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)S1(=O)=O ZINC000222545743 359353781 /nfs/dbraw/zinc/35/37/81/359353781.db2.gz XFYIMVXHZLTJJU-JTQLQIEISA-N 1 0 294.298 1.573 40 0 CDABRO COc1ccc(NC(=S)NCCC[NH+]2CCCC2)cn1 ZINC000225435395 359588782 /nfs/dbraw/zinc/58/87/82/359588782.db2.gz XDRVURHCMWWZMS-UHFFFAOYSA-N 1 0 294.424 1.863 40 0 CDABRO O=C1CNc2ncnc(NCc3cccs3)c2N1 ZINC000041121539 359683719 /nfs/dbraw/zinc/68/37/19/359683719.db2.gz RDIVSFVHWPKVTB-UHFFFAOYSA-N 1 0 261.310 1.514 40 0 CDABRO Cc1ccc(C[NH2+]CCN[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575420378 364819533 /nfs/dbraw/zinc/81/95/33/364819533.db2.gz GZDZXNCHLWUVQF-HNNXBMFYSA-N 1 0 296.436 1.251 40 0 CDABRO NC(=[NH2+])Cc1cccc(I)c1 ZINC000001439379 367326413 /nfs/dbraw/zinc/32/64/13/367326413.db2.gz KBLQDEMKAUQTAL-UHFFFAOYSA-N 1 0 260.078 1.770 40 0 CDABRO CCCC(=O)Nc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000226258372 367362740 /nfs/dbraw/zinc/36/27/40/367362740.db2.gz MCMYNYHDPUYEEF-UHFFFAOYSA-N 1 0 276.384 1.759 40 0 CDABRO CC(C)c1cnc(NC(=O)NC[C@H]2C[NH2+]CCCO2)s1 ZINC000333404226 205291935 /nfs/dbraw/zinc/29/19/35/205291935.db2.gz ZBKDSACAGXYFNV-SNVBAGLBSA-N 1 0 298.412 1.767 40 0 CDABRO COc1cc2c(cc1OC)CN([C@@H]1CC[NH2+]C1)CC2 ZINC000051782948 373985483 /nfs/dbraw/zinc/98/54/83/373985483.db2.gz KGKXXXAZABPAGU-CYBMUJFWSA-N 1 0 262.353 1.424 40 0 CDABRO OC[C@@H]1C[C@H](O)C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000225400195 374287639 /nfs/dbraw/zinc/28/76/39/374287639.db2.gz ZGRRBGYRSBKYBW-UWVGGRQHSA-N 1 0 289.734 1.285 40 0 CDABRO [NH3+]C[C@H](C(=O)N1CCC(n2cncn2)CC1)c1ccccc1 ZINC000225471165 374479705 /nfs/dbraw/zinc/47/97/05/374479705.db2.gz DWFQXQOFLRFBTE-HNNXBMFYSA-N 1 0 299.378 1.184 40 0 CDABRO COc1ccccc1OC[C@H](C)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000225485345 374495896 /nfs/dbraw/zinc/49/58/96/374495896.db2.gz LXAUUNWICKZBSW-CHWSQXEVSA-N 1 0 292.379 1.578 40 0 CDABRO C[NH+](C)CCCNCc1cnn(CC(F)(F)F)c1 ZINC000256053384 190005172 /nfs/dbraw/zinc/00/51/72/190005172.db2.gz RFVHAKPOBVQTRO-UHFFFAOYSA-N 1 0 264.295 1.487 40 0 CDABRO NC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000058135367 375668215 /nfs/dbraw/zinc/66/82/15/375668215.db2.gz KVJQCEFZPHANMF-CYBMUJFWSA-N 1 0 275.352 1.799 40 0 CDABRO [NH3+]Cc1cn(-c2ccccc2C(=O)N2CCCC2)cn1 ZINC000257203968 190011687 /nfs/dbraw/zinc/01/16/87/190011687.db2.gz ASKBPLHYMPERSE-UHFFFAOYSA-N 1 0 270.336 1.567 40 0 CDABRO Cc1c[nH]nc1[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000257203549 190011814 /nfs/dbraw/zinc/01/18/14/190011814.db2.gz AQOHHGOIULIGBR-ZDUSSCGKSA-N 1 0 276.384 1.376 40 0 CDABRO Cc1nn(C)c(C)c1-c1cnc([C@H]2CCC[NH2+]C2)cn1 ZINC000257222633 190014748 /nfs/dbraw/zinc/01/47/48/190014748.db2.gz DUCITNFZCYRZHK-LBPRGKRZSA-N 1 0 271.368 1.961 40 0 CDABRO Cc1n[nH]cc1C[N@H+]1CC[C@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257239896 190017553 /nfs/dbraw/zinc/01/75/53/190017553.db2.gz HRHCLDOUXBYMMZ-LBPRGKRZSA-N 1 0 288.399 1.492 40 0 CDABRO Cc1ncc(F)c(CC2CC3(C2)C[NH2+]CCOC3)n1 ZINC000257241218 190018672 /nfs/dbraw/zinc/01/86/72/190018672.db2.gz HXELYBUBBPPOKG-UHFFFAOYSA-N 1 0 265.332 1.483 40 0 CDABRO C[NH+]1CCC(Cc2cnc(-c3cn[nH]c3)cn2)CC1 ZINC000257264219 190023344 /nfs/dbraw/zinc/02/33/44/190023344.db2.gz LTKJKGBJRDYXQN-UHFFFAOYSA-N 1 0 257.341 1.751 40 0 CDABRO CO[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@]12CCCO2 ZINC000257269419 190023764 /nfs/dbraw/zinc/02/37/64/190023764.db2.gz MPWPKFCBCNGMCA-KBPBESRZSA-N 1 0 265.357 1.190 40 0 CDABRO Cn1nccc1-c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257280242 190025627 /nfs/dbraw/zinc/02/56/27/190025627.db2.gz OKBABXXUQRVQFK-NSHDSACASA-N 1 0 257.341 1.686 40 0 CDABRO CCn1cc(-c2cnc(C[C@@H]3CCC[NH2+]C3)cn2)cn1 ZINC000257283605 190026356 /nfs/dbraw/zinc/02/63/56/190026356.db2.gz OYZFLASAFJZVHN-LBPRGKRZSA-N 1 0 271.368 1.902 40 0 CDABRO CO[C@@H]1CCC[C@@H](N(C)C(=O)C[N@H+](C)C2CCCC2)[C@H]1O ZINC000257294446 190028166 /nfs/dbraw/zinc/02/81/66/190028166.db2.gz QUEUREITEVTFSX-IIAWOOMASA-N 1 0 298.427 1.248 40 0 CDABRO Cc1c[nH]c([C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000257297741 190029024 /nfs/dbraw/zinc/02/90/24/190029024.db2.gz RIQNSEWMJKCKDK-CYBMUJFWSA-N 1 0 276.384 1.520 40 0 CDABRO NC(=O)c1cncnc1[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000257308058 190031045 /nfs/dbraw/zinc/03/10/45/190031045.db2.gz TVGGTDHMQRBSBF-CQSZACIVSA-N 1 0 296.374 1.608 40 0 CDABRO CSc1ncc(C[NH2+]CCCN2CCCC2=O)cn1 ZINC000062717260 256722094 /nfs/dbraw/zinc/72/20/94/256722094.db2.gz VKOWNUVSEJNUDL-UHFFFAOYSA-N 1 0 280.397 1.301 40 0 CDABRO C[NH+](C)[C@H]1COC2(C1)CCN(C(=O)c1ccncc1)CC2 ZINC000096158631 256813736 /nfs/dbraw/zinc/81/37/36/256813736.db2.gz CLFSUCYOPKKJFT-CQSZACIVSA-N 1 0 289.379 1.407 40 0 CDABRO CN(C)C(=O)CO[C@@H]1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000096217938 256825597 /nfs/dbraw/zinc/82/55/97/256825597.db2.gz OJANDBBFDFHIHH-JKSUJKDBSA-N 1 0 290.407 1.654 40 0 CDABRO CC(C)N(CC[NH3+])Cc1ccc2c(c1)OCCO2 ZINC000032105431 390407660 /nfs/dbraw/zinc/40/76/60/390407660.db2.gz CXKAHXGYTMOFCX-UHFFFAOYSA-N 1 0 250.342 1.627 40 0 CDABRO CCOC(=O)[C@@H]1CC[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000096510334 390530283 /nfs/dbraw/zinc/53/02/83/390530283.db2.gz ICLFKLQIHHBWQG-NXEZZACHSA-N 1 0 272.345 1.052 40 0 CDABRO CC[C@@H]([NH3+])c1cnc(N2CCN(C(C)=O)CC2)cc1C ZINC000072223740 390624072 /nfs/dbraw/zinc/62/40/72/390624072.db2.gz NCVGOMAFIABERA-CQSZACIVSA-N 1 0 276.384 1.468 40 0 CDABRO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@H+](CC3CC3)C[C@H]1O2 ZINC000096083585 390912809 /nfs/dbraw/zinc/91/28/09/390912809.db2.gz FNOMDZQEMFMHQT-FRRDWIJNSA-N 1 0 252.358 1.010 40 0 CDABRO FC1(F)CC[NH2+]C[C@@]12CCN(c1ncccn1)C2 ZINC000096078143 391627086 /nfs/dbraw/zinc/62/70/86/391627086.db2.gz SAMKBMJSKJFASG-LLVKDONJSA-N 1 0 254.284 1.302 40 0 CDABRO CN1CC[N@@H+](C2CCCCCC2)C[C@@H](C(N)=O)C1 ZINC000257235599 391648383 /nfs/dbraw/zinc/64/83/83/391648383.db2.gz GYNOLDOREJSBJV-LBPRGKRZSA-N 1 0 253.390 1.058 40 0 CDABRO C1=CC[C@H]2C[NH+](CCCN3CCOCC3)C[C@@H]2C1 ZINC000001682898 169740964 /nfs/dbraw/zinc/74/09/64/169740964.db2.gz QPZDDNOFYNQODF-GJZGRUSLSA-N 1 0 250.386 1.607 40 0 CDABRO CCN(CC)C(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000004968981 170046725 /nfs/dbraw/zinc/04/67/25/170046725.db2.gz BPPDESNPYGYCLU-UHFFFAOYSA-N 1 0 281.444 1.805 40 0 CDABRO CCc1ccccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000005251231 170079719 /nfs/dbraw/zinc/07/97/19/170079719.db2.gz AOYKWMBDHAUQGY-UHFFFAOYSA-N 1 0 277.368 1.255 40 0 CDABRO CC[NH+](CC)C[C@@H](O)COC(=O)C1(OC)CCCCC1 ZINC000005453618 170100616 /nfs/dbraw/zinc/10/06/16/170100616.db2.gz ZUCOQYREBAKVJN-CYBMUJFWSA-N 1 0 287.400 1.582 40 0 CDABRO CCOc1ccc(Br)cc1C[NH2+]CCO ZINC000008324518 170331117 /nfs/dbraw/zinc/33/11/17/170331117.db2.gz DEWVBOYAERKZCJ-UHFFFAOYSA-N 1 0 274.158 1.930 40 0 CDABRO C[N@@H+]1CCC[C@H](CNC(=O)NC2CCCCC2)C1 ZINC000009876676 170388520 /nfs/dbraw/zinc/38/85/20/170388520.db2.gz GLNGBFDLKUNTIE-GFCCVEGCSA-N 1 0 253.390 1.960 40 0 CDABRO CCOC(=O)C[C@H]([NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000020577665 171256440 /nfs/dbraw/zinc/25/64/40/171256440.db2.gz HAEMIHPDALVYLV-JTQLQIEISA-N 1 0 283.324 1.665 40 0 CDABRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000044528278 175193071 /nfs/dbraw/zinc/19/30/71/175193071.db2.gz OURUWIVYHGLYBY-LLVKDONJSA-N 1 0 276.336 1.269 40 0 CDABRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)ccc1F ZINC000071412730 176157905 /nfs/dbraw/zinc/15/79/05/176157905.db2.gz LQMWYKAFDDITCZ-QPUJVOFHSA-N 1 0 254.280 1.693 40 0 CDABRO Cc1snnc1C(=O)N[C@H]1CCCC[C@H]1C[NH+](C)C ZINC000072246219 176350213 /nfs/dbraw/zinc/35/02/13/176350213.db2.gz KWWXAXMBKQLQLX-QWRGUYRKSA-N 1 0 282.413 1.697 40 0 CDABRO O=C(Nc1ccccn1)c1cnc(C2CC[NH2+]CC2)cn1 ZINC000072365683 176380952 /nfs/dbraw/zinc/38/09/52/176380952.db2.gz MRQUUBZGDUHESA-UHFFFAOYSA-N 1 0 283.335 1.591 40 0 CDABRO CC(=O)NCCNc1cc(CC[C@H]2CCCC[NH2+]2)ncn1 ZINC000072366318 176380998 /nfs/dbraw/zinc/38/09/98/176380998.db2.gz WVUBUKFUQGCKKB-CYBMUJFWSA-N 1 0 291.399 1.099 40 0 CDABRO CN(C)C(=O)[C@]1(CCCc2ccncc2)CCC[NH2+]C1 ZINC000072383148 176388111 /nfs/dbraw/zinc/38/81/11/176388111.db2.gz MHIBLSGWOCNXCX-MRXNPFEDSA-N 1 0 275.396 1.862 40 0 CDABRO CNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000072388615 176393519 /nfs/dbraw/zinc/39/35/19/176393519.db2.gz HEILBNZGUZIRQU-AWEZNQCLSA-N 1 0 299.378 1.544 40 0 CDABRO OCCC[N@H+](CCO)CCOc1ccc(Cl)cc1 ZINC000078594370 177357152 /nfs/dbraw/zinc/35/71/52/177357152.db2.gz ZMPQCORUTZZFFN-UHFFFAOYSA-N 1 0 273.760 1.396 40 0 CDABRO COCCN1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000078663155 177367720 /nfs/dbraw/zinc/36/77/20/177367720.db2.gz IDDJCIGWEMIYFS-AWEZNQCLSA-N 1 0 252.333 1.636 40 0 CDABRO c1nc(N2CCCC2)ncc1C[NH2+]C[C@H]1CCCO1 ZINC000062717799 262303206 /nfs/dbraw/zinc/30/32/06/262303206.db2.gz XSUSXCFBRPPSBW-CYBMUJFWSA-N 1 0 262.357 1.345 40 0 CDABRO CCN(C)c1ncnc2c1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000107807406 276079084 /nfs/dbraw/zinc/07/90/84/276079084.db2.gz XQZBOQWPRCJGIQ-CYBMUJFWSA-N 1 0 290.411 1.370 40 0 CDABRO CC(C)[NH2+][C@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000306127984 277666277 /nfs/dbraw/zinc/66/62/77/277666277.db2.gz GNAUTWXVVQWKJL-ZDUSSCGKSA-N 1 0 276.384 1.169 40 0 CDABRO CC(=O)N(C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000079418107 277970936 /nfs/dbraw/zinc/97/09/36/277970936.db2.gz GVVGBXZQSROWQD-GJZGRUSLSA-N 1 0 295.427 1.362 40 0 CDABRO CC(C)N(C(=O)C[NH3+])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391108 279274724 /nfs/dbraw/zinc/27/47/24/279274724.db2.gz MWNHMYGBGINGBI-GFCCVEGCSA-N 1 0 299.415 1.582 40 0 CDABRO C[N@@H+]1CCN(C(=O)N2CCSCC2)C(C)(C)C1 ZINC000335067278 290013876 /nfs/dbraw/zinc/01/38/76/290013876.db2.gz ZLFNRFPHYILCHH-UHFFFAOYSA-N 1 0 257.403 1.181 40 0 CDABRO Cc1ccc(C[NH+]2CCC3(CC(=O)N(C)O3)CC2)cn1 ZINC001549166463 968052110 /nfs/dbraw/zinc/05/21/10/968052110.db2.gz DUQCEMMUPDDKJG-UHFFFAOYSA-N 1 0 275.352 1.518 40 0 CDABRO CC[C@](C)(O)CCc1cc(C[NH2+]CCO)c(C)cc1N ZINC000095863277 185030030 /nfs/dbraw/zinc/03/00/30/185030030.db2.gz ITINDKYENZORQH-INIZCTEOSA-N 1 0 280.412 1.753 40 0 CDABRO COCCN1CCC2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000096046791 185071806 /nfs/dbraw/zinc/07/18/06/185071806.db2.gz KRYIQRPYFAHLDA-UHFFFAOYSA-N 1 0 292.379 1.741 40 0 CDABRO CCC[NH+]1CCC2(C[C@@H](Nc3ncccn3)CO2)CC1 ZINC000096048095 185072361 /nfs/dbraw/zinc/07/23/61/185072361.db2.gz WZTSSLRCGPTVDQ-CYBMUJFWSA-N 1 0 276.384 1.922 40 0 CDABRO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000096057319 185078026 /nfs/dbraw/zinc/07/80/26/185078026.db2.gz DWFSVMPAEBHBBL-MCIONIFRSA-N 1 0 278.352 1.490 40 0 CDABRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(C)o3)C[C@H]21 ZINC000096058279 185078771 /nfs/dbraw/zinc/07/87/71/185078771.db2.gz KDLIBAKFLBXTBH-QLFBSQMISA-N 1 0 292.379 1.561 40 0 CDABRO O[C@@H]1CC[N@H+](Cc2cccnc2)[C@H]1Cc1cccnc1 ZINC000096061606 185082668 /nfs/dbraw/zinc/08/26/68/185082668.db2.gz ATXROFQFGGILTE-JKSUJKDBSA-N 1 0 269.348 1.655 40 0 CDABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N[C@H]3C)o1 ZINC000096062196 185082702 /nfs/dbraw/zinc/08/27/02/185082702.db2.gz QDEPBMYQQWVFOF-LBPRGKRZSA-N 1 0 278.352 1.458 40 0 CDABRO c1ccc(OC[C@]23COC[C@H]2C[N@@H+](C2CCC2)C3)nc1 ZINC000096109060 185099546 /nfs/dbraw/zinc/09/95/46/185099546.db2.gz LTOYUBVJMCLMNT-CJNGLKHVSA-N 1 0 274.364 1.961 40 0 CDABRO CC(C)CC(=O)N1Cc2ccnn2[C@H](C[NH+](C)C)C1 ZINC000585095175 342211320 /nfs/dbraw/zinc/21/13/20/342211320.db2.gz IDZRLUPNMINJRZ-CYBMUJFWSA-N 1 0 264.373 1.374 40 0 CDABRO C[C@@H](C(=O)NCc1ccc(=O)[nH]c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000164241585 361996816 /nfs/dbraw/zinc/99/68/16/361996816.db2.gz XLBGFCDFMSQSGK-TUAOUCFPSA-N 1 0 277.368 1.665 40 0 CDABRO CNC(=O)[C@@]1(C)CCC[N@H+](CC2(O)CCCCCC2)C1 ZINC000585282296 342258459 /nfs/dbraw/zinc/25/84/59/342258459.db2.gz DBXIRKXUJQJPOC-HNNXBMFYSA-N 1 0 282.428 1.920 40 0 CDABRO C[NH+](C)C/C=C/C(=O)N1CCC[C@@H]2OC(C)(C)C[C@@H]21 ZINC000585289574 342258810 /nfs/dbraw/zinc/25/88/10/342258810.db2.gz KFFHIPBEVLXVGC-KELULYIISA-N 1 0 266.385 1.663 40 0 CDABRO CCC[N@@H+]1CCO[C@@H]2[C@H](CNC(=O)c3ccco3)CC[C@@H]21 ZINC000247972656 362142862 /nfs/dbraw/zinc/14/28/62/362142862.db2.gz DPKWKMFMBGRXIX-KCQAQPDRSA-N 1 0 292.379 1.899 40 0 CDABRO O=C(C[NH+]1CCCCCC1)NC[C@H]1Cc2ccccc2O1 ZINC000051092894 365818502 /nfs/dbraw/zinc/81/85/02/365818502.db2.gz VWSUNIKXPKBJKQ-OAHLLOKOSA-N 1 0 288.391 1.982 40 0 CDABRO [NH3+][C@H]1CCc2nc(-c3ccncc3)[nH]c(=O)c2CC1 ZINC000141521490 348742257 /nfs/dbraw/zinc/74/22/57/348742257.db2.gz AVTDDPWYLZVFOR-SNVBAGLBSA-N 1 0 256.309 1.038 40 0 CDABRO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cnn(C)c1)C2 ZINC000108526742 186220442 /nfs/dbraw/zinc/22/04/42/186220442.db2.gz MHJMIALIDAYEGY-GOEBONIOSA-N 1 0 290.411 1.501 40 0 CDABRO Cn1ccc2c1C[NH2+]Cc1cn(Cc3ccccn3)nc1-2 ZINC000306143588 282721742 /nfs/dbraw/zinc/72/17/42/282721742.db2.gz YGKAMEAFTILPOJ-UHFFFAOYSA-N 1 0 279.347 1.935 40 0 CDABRO C[NH+]1CCC(OC(=O)[C@@H](O)C2CCCCC2)CC1 ZINC000001669008 355944932 /nfs/dbraw/zinc/94/49/32/355944932.db2.gz RXMUOBKRTGNEHY-ZDUSSCGKSA-N 1 0 255.358 1.565 40 0 CDABRO CN(CC[NH+](C)C)C(=O)Cc1ccc2c(c1)OCCO2 ZINC000012360959 356295001 /nfs/dbraw/zinc/29/50/01/356295001.db2.gz CESIBADBXKPYLY-UHFFFAOYSA-N 1 0 278.352 1.020 40 0 CDABRO CN(C)C1=[NH+]C(c2ccccc2)=NS(N(C)C)=N1 ZINC000016163098 356433334 /nfs/dbraw/zinc/43/33/34/356433334.db2.gz BURWVUWNQRYMOA-UHFFFAOYSA-N 1 0 263.370 1.558 40 0 CDABRO Cc1c(Cl)cccc1NC(=O)CN1CC[NH2+]CC1 ZINC000023291859 356640097 /nfs/dbraw/zinc/64/00/97/356640097.db2.gz FZTXRMPBOSXEBS-UHFFFAOYSA-N 1 0 267.760 1.492 40 0 CDABRO Cc1c[nH+]c(NCCCN2CCOCC2)c(N)c1 ZINC000036226355 356866780 /nfs/dbraw/zinc/86/67/80/356866780.db2.gz SLOSSIUYERDHHA-UHFFFAOYSA-N 1 0 250.346 1.106 40 0 CDABRO CCN(C(=O)C[NH3+])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079390860 356988532 /nfs/dbraw/zinc/98/85/32/356988532.db2.gz YMJFAOLCBWLRKS-NSHDSACASA-N 1 0 285.388 1.193 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079408446 356992178 /nfs/dbraw/zinc/99/21/78/356992178.db2.gz HAMAGCUUVOROMQ-GFCCVEGCSA-N 1 0 271.405 1.667 40 0 CDABRO O=C(N[C@@H]1CCC[N@@H+](CCO)C1)OCc1ccccc1 ZINC000079410879 356993644 /nfs/dbraw/zinc/99/36/44/356993644.db2.gz MKKLGXKQIBLBPW-CQSZACIVSA-N 1 0 278.352 1.370 40 0 CDABRO CC(=O)N(C(C)C)C1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000079418034 356994488 /nfs/dbraw/zinc/99/44/88/356994488.db2.gz RYKQRISLCYBYOU-AWEZNQCLSA-N 1 0 283.416 1.218 40 0 CDABRO CC(=O)N(C(C)C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000079418030 356995547 /nfs/dbraw/zinc/99/55/47/356995547.db2.gz GYOZRIFCHFODJR-KGLIPLIRSA-N 1 0 283.416 1.218 40 0 CDABRO CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079416073 356995618 /nfs/dbraw/zinc/99/56/18/356995618.db2.gz QRRIBLGLNWNCID-HNNXBMFYSA-N 1 0 276.380 1.915 40 0 CDABRO CCS(=O)(=O)NCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000237052690 363585374 /nfs/dbraw/zinc/58/53/74/363585374.db2.gz UEVNVPPVVDFFMM-UHFFFAOYSA-N 1 0 281.381 1.197 40 0 CDABRO Cc1nc(C2CC[NH2+]CC2)cc(N2CCC[C@H](CO)C2)n1 ZINC000072365221 357830948 /nfs/dbraw/zinc/83/09/48/357830948.db2.gz PRRMSEMCZDTWPV-ZDUSSCGKSA-N 1 0 290.411 1.461 40 0 CDABRO Cc1cc(N2CCOCC2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072364845 357831088 /nfs/dbraw/zinc/83/10/88/357831088.db2.gz FAUZZLBCIIJCFN-ZDUSSCGKSA-N 1 0 276.384 1.431 40 0 CDABRO CS(=O)(=O)N1CCCC[C@]12CCC[N@H+](CC1CC1)C2 ZINC000096047433 358706076 /nfs/dbraw/zinc/70/60/76/358706076.db2.gz JHPPIUJQKDESQL-CQSZACIVSA-N 1 0 286.441 1.677 40 0 CDABRO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CCCC3)C[C@H]21 ZINC000096043346 358706095 /nfs/dbraw/zinc/70/60/95/358706095.db2.gz LTWLWGDFVPYQSI-OWCLPIDISA-N 1 0 292.423 1.935 40 0 CDABRO COc1ncnc2c1CC[N@H+](CC1CCOCC1)CC2 ZINC000096058749 358707249 /nfs/dbraw/zinc/70/72/49/358707249.db2.gz LIBBYUFNBOIBGC-UHFFFAOYSA-N 1 0 277.368 1.312 40 0 CDABRO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccsc1 ZINC000096184379 358713553 /nfs/dbraw/zinc/71/35/53/358713553.db2.gz DVFJMZILMAHMKU-KGLIPLIRSA-N 1 0 293.436 1.485 40 0 CDABRO c1coc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)c1 ZINC000096188606 358715244 /nfs/dbraw/zinc/71/52/44/358715244.db2.gz OEOIEDQFYLQNNM-CYBMUJFWSA-N 1 0 298.350 1.400 40 0 CDABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(Cc1cccc(C)n1)C2 ZINC000096219372 358721928 /nfs/dbraw/zinc/72/19/28/358721928.db2.gz ZHPUHQNIQFFSMU-DOTOQJQBSA-N 1 0 289.423 1.790 40 0 CDABRO CC(C)c1nnc([C@]23COC[C@H]2C[N@@H+](C2CCC2)C3)o1 ZINC000096219412 358722190 /nfs/dbraw/zinc/72/21/90/358722190.db2.gz MUZUKCDZRWIUNH-IAQYHMDHSA-N 1 0 277.368 1.945 40 0 CDABRO COCCN1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2C1=O ZINC000096244995 358725015 /nfs/dbraw/zinc/72/50/15/358725015.db2.gz JKGQDTKESAKDEG-ZFWWWQNUSA-N 1 0 292.354 1.362 40 0 CDABRO O[C@@H](C[NH2+]Cc1ccccc1)COCc1ccco1 ZINC000026897798 359758503 /nfs/dbraw/zinc/75/85/03/359758503.db2.gz UNENPFOFQZUKJC-AWEZNQCLSA-N 1 0 261.321 1.947 40 0 CDABRO CNC(=O)c1ccc(C[N@H+](C)CC[C@H](C)O)cc1 ZINC000075782312 360463842 /nfs/dbraw/zinc/46/38/42/360463842.db2.gz UDNBUWCORHYSOU-NSHDSACASA-N 1 0 250.342 1.249 40 0 CDABRO CC[NH+]1CCN(c2nc(C)c(CC(C)C)c(=O)[nH]2)CC1 ZINC000008019894 364896933 /nfs/dbraw/zinc/89/69/33/364896933.db2.gz GCAFGKVJEZDSKD-UHFFFAOYSA-N 1 0 278.400 1.419 40 0 CDABRO COC(=O)[C@H]1C[NH2+]Cc2cc(Br)ccc2N1 ZINC000002580924 367127337 /nfs/dbraw/zinc/12/73/37/367127337.db2.gz WXYFFFUOHNKBHK-SNVBAGLBSA-N 1 0 285.141 1.506 40 0 CDABRO CC(C)c1ncncc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000279793609 367140280 /nfs/dbraw/zinc/14/02/80/367140280.db2.gz DLWWRJMDXWWLPL-UHFFFAOYSA-N 1 0 274.368 1.592 40 0 CDABRO Cc1nc(C(=O)N2CCCSC[C@@H]2C[NH+](C)C)cs1 ZINC000090699670 374083524 /nfs/dbraw/zinc/08/35/24/374083524.db2.gz CKXSERDVLJGHQM-NSHDSACASA-N 1 0 299.465 1.961 40 0 CDABRO COc1ccccc1C(=O)N1C[C@@H]2CCCC[NH2+][C@@H]2C1 ZINC000257330540 374421187 /nfs/dbraw/zinc/42/11/87/374421187.db2.gz XOVDLECQNLFZBE-GXTWGEPZSA-N 1 0 274.364 1.909 40 0 CDABRO COC(=O)c1ccc(CNC2=[NH+]CCCN2)nc1C1CC1 ZINC000225564278 375164844 /nfs/dbraw/zinc/16/48/44/375164844.db2.gz OUSGPUSCRVQBGD-UHFFFAOYSA-N 1 0 288.351 1.185 40 0 CDABRO CO[C@H]1CC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000225584556 375166123 /nfs/dbraw/zinc/16/61/23/375166123.db2.gz PPZJGGGULNKLEU-KBPBESRZSA-N 1 0 283.416 1.681 40 0 CDABRO COc1ccc(-c2cncc([C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000257197890 190010395 /nfs/dbraw/zinc/01/03/95/190010395.db2.gz MJJIULYNYVGVHG-HNNXBMFYSA-N 1 0 271.320 1.813 40 0 CDABRO C[C@H]1CN(c2cnc(CC3CC[NH+](C)CC3)cn2)C(=O)O1 ZINC000257207944 190012633 /nfs/dbraw/zinc/01/26/33/190012633.db2.gz BKABBUNWENGYBW-NSHDSACASA-N 1 0 290.367 1.706 40 0 CDABRO Cn1ccnc1-c1cnc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257234030 190016960 /nfs/dbraw/zinc/01/69/60/190016960.db2.gz GRUQAYWRQDZMCN-NSHDSACASA-N 1 0 257.341 1.419 40 0 CDABRO Cc1cnc(C(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)cn1 ZINC000257319728 190033199 /nfs/dbraw/zinc/03/31/99/190033199.db2.gz VTVHQJNKONUYML-HOCLYGCPSA-N 1 0 288.395 1.922 40 0 CDABRO O=C1NCC2(CC[NH+](CCc3ccccc3O)CC2)O1 ZINC000065742891 378573312 /nfs/dbraw/zinc/57/33/12/378573312.db2.gz YZFHFRFWXNXODD-UHFFFAOYSA-N 1 0 276.336 1.509 40 0 in-vitro CDABRO C[C@H]1NC(=O)COC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096201476 256820878 /nfs/dbraw/zinc/82/08/78/256820878.db2.gz LJPFIVCYAKIBTM-GFCCVEGCSA-N 1 0 292.354 1.695 40 0 CDABRO CC(C)OC(=O)[C@H]1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000096510354 390530384 /nfs/dbraw/zinc/53/03/84/390530384.db2.gz OYZYEXJAVIGOIB-GHMZBOCLSA-N 1 0 286.372 1.441 40 0 CDABRO Cc1nn(C)c(C)c1CN(C)C[C@H]1CCCC[NH2+]1 ZINC000096524004 390537461 /nfs/dbraw/zinc/53/74/61/390537461.db2.gz WWRVPTYTVDOYGH-CYBMUJFWSA-N 1 0 250.390 1.611 40 0 CDABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCCCN1C=O ZINC000072219658 390623291 /nfs/dbraw/zinc/62/32/91/390623291.db2.gz KDSVNFJBCSWCEB-OAHLLOKOSA-N 1 0 289.379 1.910 40 0 CDABRO C[NH+]1CCN(c2ccc([C@@H](O)c3ccccc3)cn2)CC1 ZINC000072225530 390624206 /nfs/dbraw/zinc/62/42/06/390624206.db2.gz BJHHTHZEFOVBTJ-KRWDZBQOSA-N 1 0 283.375 1.915 40 0 CDABRO CC[NH+]1CCN(c2ccc(C(=O)OC)c(C)n2)CC1 ZINC000072224664 390624770 /nfs/dbraw/zinc/62/47/70/390624770.db2.gz BLKBMRSRZYHTRW-UHFFFAOYSA-N 1 0 263.341 1.319 40 0 CDABRO C[C@@H]1CN(C[C@@H]2COc3ccccc3O2)[C@H](C)C[NH2+]1 ZINC000022580941 391048289 /nfs/dbraw/zinc/04/82/89/391048289.db2.gz PGKAQCYZBLUAAE-JHJVBQTASA-N 1 0 262.353 1.509 40 0 CDABRO CCNc1ncc(CNCCC[NH+](CC)CC)cn1 ZINC000062718428 391575436 /nfs/dbraw/zinc/57/54/36/391575436.db2.gz SCUQXTXKFXGZGU-UHFFFAOYSA-N 1 0 265.405 1.730 40 0 CDABRO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[NH2+]C[C@@H]32)cs1 ZINC000306123000 392105928 /nfs/dbraw/zinc/10/59/28/392105928.db2.gz ABYASKGHFRDLRT-STQMWFEESA-N 1 0 288.376 1.422 40 0 CDABRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000225516294 393097486 /nfs/dbraw/zinc/09/74/86/393097486.db2.gz MCBRYWMFVAXSKK-JYJNAYRXSA-N 1 0 266.429 1.977 40 0 CDABRO COc1ccc(C[C@H]([NH3+])C(=O)NCc2ccccc2)cc1 ZINC000006411248 170199157 /nfs/dbraw/zinc/19/91/57/170199157.db2.gz SUDQUNYKYSUYOA-INIZCTEOSA-N 1 0 284.359 1.881 40 0 CDABRO C[NH+](C)CCCNC(=O)CSCc1ccccc1 ZINC000006419442 170200069 /nfs/dbraw/zinc/20/00/69/170200069.db2.gz YSDINHRXALJWEO-UHFFFAOYSA-N 1 0 266.410 1.988 40 0 CDABRO [NH3+]CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000006746917 170239500 /nfs/dbraw/zinc/23/95/00/170239500.db2.gz MTVRQKGQZQAHGD-UHFFFAOYSA-N 1 0 272.345 1.185 40 0 CDABRO COc1ccc(SCC(=O)NCC[NH+](C)C)cc1 ZINC000020491428 171226545 /nfs/dbraw/zinc/22/65/45/171226545.db2.gz ZATGBGPEBGXVBL-UHFFFAOYSA-N 1 0 268.382 1.465 40 0 CDABRO CC[NH+](CC)CCNCC(=O)N1c2ccccc2C[C@H]1C ZINC000022586246 171392908 /nfs/dbraw/zinc/39/29/08/171392908.db2.gz OXNJBNUHZSCFJF-CQSZACIVSA-N 1 0 289.423 1.896 40 0 CDABRO O=C(Cn1cccn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000044451445 175176489 /nfs/dbraw/zinc/17/64/89/175176489.db2.gz JPCWGRVUXCXEEB-UHFFFAOYSA-N 1 0 276.384 1.360 40 0 CDABRO C[NH+](C)CCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044910134 175275279 /nfs/dbraw/zinc/27/52/79/175275279.db2.gz YMTAPXBEPUTGPD-UHFFFAOYSA-N 1 0 272.352 1.223 40 0 CDABRO [NH3+]CC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000072220503 176342929 /nfs/dbraw/zinc/34/29/29/176342929.db2.gz WOADUPLANZMLIZ-UHFFFAOYSA-N 1 0 280.715 1.007 40 0 CDABRO O=C(NCC1CCOCC1)c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072365708 176381347 /nfs/dbraw/zinc/38/13/47/176381347.db2.gz JYVFLHHSCCJHHS-CYBMUJFWSA-N 1 0 289.379 1.663 40 0 CDABRO COc1cccc(OC[C@H]2CCC[N@H+](CC(N)=O)C2)c1 ZINC000072367776 176382340 /nfs/dbraw/zinc/38/23/40/176382340.db2.gz XRUUXZPYQSYPGH-LBPRGKRZSA-N 1 0 278.352 1.271 40 0 CDABRO C[NH+](C)C[C@]12COC[C@H]1CN(C(=O)C1CC(F)(F)C1)C2 ZINC000096110946 276810041 /nfs/dbraw/zinc/81/00/41/276810041.db2.gz JKLAEUHQMVTDFH-YPMHNXCESA-N 1 0 288.338 1.068 40 0 CDABRO C[NH2+]C[C@]1(O)CCCN(c2cc(C)nc3ccncc32)C1 ZINC000257237981 277286740 /nfs/dbraw/zinc/28/67/40/277286740.db2.gz HJBUISPXXMAMIO-MRXNPFEDSA-N 1 0 286.379 1.489 40 0 CDABRO C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(-n2cccn2)nc1 ZINC000019656174 279298755 /nfs/dbraw/zinc/29/87/55/279298755.db2.gz XLLBFKMKRXGTNB-CYBMUJFWSA-N 1 0 299.378 1.481 40 0 CDABRO c1cnc(N2C[C@@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)nc1 ZINC000096054020 280500513 /nfs/dbraw/zinc/50/05/13/280500513.db2.gz JCEFMOZUTBFHNW-GJZGRUSLSA-N 1 0 288.395 1.271 40 0 CDABRO CN(C)CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257215792 289075672 /nfs/dbraw/zinc/07/56/72/289075672.db2.gz CRRIAJMDBQXWNU-KNCOVGOOSA-N 1 0 279.428 1.412 40 0 CDABRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCN[C@@H]1CCC[C@]1(C)CO ZINC000104245196 289177314 /nfs/dbraw/zinc/17/73/14/289177314.db2.gz LBNBPYQPTNKLFN-FPCVCCKLSA-N 1 0 284.444 1.268 40 0 CDABRO CC(C)C[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000054856676 519748591 /nfs/dbraw/zinc/74/85/91/519748591.db2.gz KJGUUIVNOICEBA-UHFFFAOYSA-N 1 0 250.346 1.059 40 0 CDABRO C[C@@]1([NH2+]C[C@@H]2CCC(=O)N2)CCOc2ccccc21 ZINC000933370492 617403287 /nfs/dbraw/zinc/40/32/87/617403287.db2.gz LUVRALQCQKMPKI-XHDPSFHLSA-N 1 0 260.337 1.553 40 0 CDABRO CNS(=O)(=O)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000878093859 694768622 /nfs/dbraw/zinc/76/86/22/694768622.db2.gz OLBVXYFSCPIRFM-UHFFFAOYSA-N 1 0 286.441 1.580 40 0 CDABRO COc1c2c(cc3c1C[N@H+](C)C[C@@H]3OC(C)=O)OCO2 ZINC000034186231 1165738035 /nfs/dbraw/zinc/73/80/35/1165738035.db2.gz LKXAWIFFHGGBRM-LBPRGKRZSA-N 1 0 279.292 1.474 40 0 CDABRO O=C1C[C@@H]2CC[NH2+]C[C@@H]2CCOc2ncccc2N1 ZINC001534646243 969500414 /nfs/dbraw/zinc/50/04/14/969500414.db2.gz FOTIYERFVCPKGB-QWRGUYRKSA-N 1 0 261.325 1.418 40 0 CDABRO COCCN1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1=O ZINC000096054619 185075690 /nfs/dbraw/zinc/07/56/90/185075690.db2.gz SDYQUVCRJCEOOZ-GJZGRUSLSA-N 1 0 289.379 1.008 40 0 CDABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2CC2CC2)N1c1cccnc1 ZINC000096055716 185076084 /nfs/dbraw/zinc/07/60/84/185076084.db2.gz HWILEYONNZXXKR-UONOGXRCSA-N 1 0 257.337 1.671 40 0 CDABRO O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053807 185076552 /nfs/dbraw/zinc/07/65/52/185076552.db2.gz XMBFHTKSEWIBNU-OKILXGFUSA-N 1 0 297.358 1.879 40 0 CDABRO O[C@@H]1CC[N@H+](CC2CCOCC2)[C@H]1Cc1cccnc1 ZINC000096061609 185082396 /nfs/dbraw/zinc/08/23/96/185082396.db2.gz ONAKSKKLQIRCJG-JKSUJKDBSA-N 1 0 276.380 1.486 40 0 CDABRO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)s1 ZINC000096061617 185082978 /nfs/dbraw/zinc/08/29/78/185082978.db2.gz FGWZOGCOKOMNKY-LSDHHAIUSA-N 1 0 291.420 1.968 40 0 CDABRO Cn1cc(C[C@H]2[C@H](O)CC[N@@H+]2Cc2ccco2)cn1 ZINC000096061610 185083304 /nfs/dbraw/zinc/08/33/04/185083304.db2.gz IAIWOLJWTJOSSM-UONOGXRCSA-N 1 0 261.325 1.191 40 0 CDABRO Cn1cc(C[N@@H+]2C[C@@H](n3cccn3)[C@H]3OCCC[C@H]32)cn1 ZINC000096064544 185084257 /nfs/dbraw/zinc/08/42/57/185084257.db2.gz RIGRZWZWRRERRJ-KFWWJZLASA-N 1 0 287.367 1.221 40 0 CDABRO CCOCC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096064029 185084569 /nfs/dbraw/zinc/08/45/69/185084569.db2.gz VXLFBMKHSFVVRJ-LSDHHAIUSA-N 1 0 289.379 1.293 40 0 CDABRO Cc1nc(CO[C@H]2COC3(C2)CC[NH2+]CC3)cs1 ZINC000096073186 185088232 /nfs/dbraw/zinc/08/82/32/185088232.db2.gz CWDHTSIDUSLRKO-GFCCVEGCSA-N 1 0 268.382 1.879 40 0 CDABRO COCC[C@@H]1COC2(C1)CC[NH+](Cc1nccn1C)CC2 ZINC000096072972 185088440 /nfs/dbraw/zinc/08/84/40/185088440.db2.gz YSUQNJFHMBRSAM-AWEZNQCLSA-N 1 0 293.411 1.828 40 0 CDABRO COCC[N@@H+]1CC[C@@]12CCN(C(=O)Cc1ccccc1)C2 ZINC000096075957 185090353 /nfs/dbraw/zinc/09/03/53/185090353.db2.gz YCWBRGAEMFUIOY-QGZVFWFLSA-N 1 0 288.391 1.552 40 0 CDABRO NC(=[NH2+])CS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000096102505 185098108 /nfs/dbraw/zinc/09/81/08/185098108.db2.gz WCSWPCZITDPADK-UHFFFAOYSA-N 1 0 280.271 1.556 40 0 CDABRO CC(C)[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)c2ccco2)C1 ZINC000096108458 185099613 /nfs/dbraw/zinc/09/96/13/185099613.db2.gz CQGBPROTQMCURN-DOMZBBRYSA-N 1 0 278.352 1.366 40 0 CDABRO C[C@]1(C(N)=O)CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000585263338 342251090 /nfs/dbraw/zinc/25/10/90/342251090.db2.gz WBZUTETWSZVGCM-ZDUSSCGKSA-N 1 0 254.374 1.269 40 0 CDABRO CO[C@@]1(CCC(N)=O)CCC[N@H+](Cc2ccc(C)nc2)C1 ZINC000585277709 342256325 /nfs/dbraw/zinc/25/63/25/342256325.db2.gz XEITYOHVSKFRFU-MRXNPFEDSA-N 1 0 291.395 1.637 40 0 CDABRO CNC(=O)[C@@]1(C)CCC[N@H+](CC2(O)CCCC2)C1 ZINC000585282584 342258437 /nfs/dbraw/zinc/25/84/37/342258437.db2.gz HMYXWUFXXRPDDO-ZDUSSCGKSA-N 1 0 254.374 1.140 40 0 CDABRO O=C(NCC[C@H]1C[NH2+]Cc2ccnn21)c1ccsc1 ZINC000247471480 362112254 /nfs/dbraw/zinc/11/22/54/362112254.db2.gz FMKFVIGMOVQUPA-NSHDSACASA-N 1 0 276.365 1.409 40 0 CDABRO CC(C)(C)[C@H]([NH2+]Cc1ccc(Cl)nc1)C(N)=O ZINC000081606470 362217548 /nfs/dbraw/zinc/21/75/48/362217548.db2.gz MSHDBKXOEUKYGK-SNVBAGLBSA-N 1 0 255.749 1.725 40 0 CDABRO c1cc2n(n1)[C@@H](C[NH+]1CCCC1)CN(C1CCOCC1)C2 ZINC000253603689 362440573 /nfs/dbraw/zinc/44/05/73/362440573.db2.gz KANVNZWWTUJPFI-INIZCTEOSA-N 1 0 290.411 1.515 40 0 CDABRO [NH3+]C[C@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)[O-])C1 ZINC000253614367 362443153 /nfs/dbraw/zinc/44/31/53/362443153.db2.gz OFYQCQTXNGVHCI-ZYHUDNBSSA-N 1 0 268.744 1.746 40 0 CDABRO CC(C)c1nccc(C[C@H]2[C@H]([NH+](C)C)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382160 344886646 /nfs/dbraw/zinc/88/66/46/344886646.db2.gz IECGQPITTKCFIR-KBUPBQIOSA-N 1 0 293.411 1.062 40 0 biogenic,in-vitro CDABRO [NH3+][C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257283645 362582743 /nfs/dbraw/zinc/58/27/43/362582743.db2.gz OZEYFWTZQVDCMQ-WCVJEAGWSA-N 1 0 276.380 1.380 40 0 CDABRO COc1c(C[NH2+]CCn2cc(C)cn2)c(C)nn1C ZINC000105908418 186088310 /nfs/dbraw/zinc/08/83/10/186088310.db2.gz NZNPNDLYTGDUDM-UHFFFAOYSA-N 1 0 263.345 1.032 40 0 CDABRO O=C1[C@@H]2C[N@H+](CC3CC3)C[C@@H]2CN1c1ccccc1 ZINC000107742962 186188786 /nfs/dbraw/zinc/18/87/86/186188786.db2.gz NSADLTMRCYRNED-UKRRQHHQSA-N 1 0 256.349 1.991 40 0 CDABRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ncccc3C)C[C@@H]21 ZINC000108534121 186222631 /nfs/dbraw/zinc/22/26/31/186222631.db2.gz BPZCLCZGYMBWLD-HOTGVXAUSA-N 1 0 289.379 1.212 40 0 CDABRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)[C@@H](C)N1CCOCC1 ZINC000155706654 351400121 /nfs/dbraw/zinc/40/01/21/351400121.db2.gz JHZPFCCMHQWLCZ-ZIAGYGMSSA-N 1 0 298.427 1.371 40 0 CDABRO COC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000062161070 363033185 /nfs/dbraw/zinc/03/31/85/363033185.db2.gz QZQALMPFBLRJOI-LLVKDONJSA-N 1 0 267.325 1.925 40 0 CDABRO CC[C@]1(C(=O)N2CCC[C@H](COC)C2)CCC[NH2+]1 ZINC000134492763 187754516 /nfs/dbraw/zinc/75/45/16/187754516.db2.gz QHHGDGJVCHQNRW-GXTWGEPZSA-N 1 0 254.374 1.404 40 0 CDABRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000155699647 188222570 /nfs/dbraw/zinc/22/25/70/188222570.db2.gz PPZULOATDGSXKC-UHFFFAOYSA-N 1 0 293.342 1.318 40 0 CDABRO C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000157783030 188338603 /nfs/dbraw/zinc/33/86/03/188338603.db2.gz KGBQMIWFESCUES-DGCLKSJQSA-N 1 0 285.384 1.924 40 0 CDABRO COCCn1nnnc1[C@H](C(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000012642168 366227382 /nfs/dbraw/zinc/22/73/82/366227382.db2.gz ZMZONOIDJMWUHZ-OLZOCXBDSA-N 1 0 281.404 1.749 40 0 CDABRO C[C@@H]([NH2+]CCN(C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000022931225 356301190 /nfs/dbraw/zinc/30/11/90/356301190.db2.gz YKTYQTJPTLNLGO-FRRDWIJNSA-N 1 0 255.406 1.031 40 0 CDABRO C[N@@H+]1C[C@@H]2CN(C(=O)CC(C)(C)C)CCN2C(C)(C)C1 ZINC000253400779 283207497 /nfs/dbraw/zinc/20/74/97/283207497.db2.gz LUQPEBRSVPMHSD-CYBMUJFWSA-N 1 0 281.444 1.659 40 0 biogenic,in-vitro CDABRO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000079391368 356988510 /nfs/dbraw/zinc/98/85/10/356988510.db2.gz CWYVJAJQHXDZLC-NEPJUHHUSA-N 1 0 299.415 1.485 40 0 CDABRO [NH3+][C@H]1CC[C@H]2CN(C(=O)[C@@H]3OCCc4ccccc43)C[C@H]21 ZINC000185137806 357512701 /nfs/dbraw/zinc/51/27/01/357512701.db2.gz BAHQJLDGROLBCA-DRPJVOAASA-N 1 0 286.375 1.496 40 0 CDABRO C[NH+]1CCN(CCCNC(=O)c2cccc(F)c2)CC1 ZINC000061523633 358554211 /nfs/dbraw/zinc/55/42/11/358554211.db2.gz ATLQUXSLQLKDCF-UHFFFAOYSA-N 1 0 279.359 1.193 40 0 CDABRO c1ccc(CN2C[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)nc1 ZINC000096161624 358711077 /nfs/dbraw/zinc/71/10/77/358711077.db2.gz IHUIXLSWVSBMID-GASCZTMLSA-N 1 0 287.407 1.624 40 0 CDABRO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccco2)cn1 ZINC000096184592 358713662 /nfs/dbraw/zinc/71/36/62/358713662.db2.gz WMDUYGRVLMKNGN-JKSUJKDBSA-N 1 0 286.379 1.862 40 0 CDABRO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CCOCC2)nc1 ZINC000096184841 358713902 /nfs/dbraw/zinc/71/39/02/358713902.db2.gz XAHJQWYEBOAJGM-CABCVRRESA-N 1 0 288.395 1.556 40 0 CDABRO COC[C@@H]1Cn2ccnc2CN(C(=O)c2ccc[nH]2)C1 ZINC000096187762 358715509 /nfs/dbraw/zinc/71/55/09/358715509.db2.gz GCNADUCBCVTKEA-LLVKDONJSA-N 1 0 274.324 1.130 40 0 CDABRO C[C@@H]1NC(=O)COC12CC[NH+](Cc1ccoc1)CC2 ZINC000096201471 358718461 /nfs/dbraw/zinc/71/84/61/358718461.db2.gz RZABZUVMRSHVEE-NSHDSACASA-N 1 0 264.325 1.149 40 0 CDABRO O=C(C[C@]12COC[C@H]1C[N@@H+](C1CCCC1)C2)N1CCCC1 ZINC000096206030 358720209 /nfs/dbraw/zinc/72/02/09/358720209.db2.gz CAHMOPZODFPYOA-PBHICJAKSA-N 1 0 292.423 1.890 40 0 CDABRO C[N@@H+]1CCc2c(c(COc3cncnc3)nn2CC2CC2)C1 ZINC000096259837 358729637 /nfs/dbraw/zinc/72/96/37/358729637.db2.gz HMGSUKXZWYUPCV-UHFFFAOYSA-N 1 0 299.378 1.650 40 0 CDABRO O=C(c1ccc(F)cc1)N1CCOC2(CC[NH2+]CC2)C1 ZINC000096268850 358730298 /nfs/dbraw/zinc/73/02/98/358730298.db2.gz WHENEIRJNFSXAK-UHFFFAOYSA-N 1 0 278.327 1.420 40 0 CDABRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH3+])S1(=O)=O ZINC000222544967 359352781 /nfs/dbraw/zinc/35/27/81/359352781.db2.gz OTJZECXNUBUQAK-JTQLQIEISA-N 1 0 274.773 1.516 40 0 CDABRO CC[NH+]1CCN(c2ccc3[nH]c(=NN)sc3c2)CC1 ZINC000057332244 360142983 /nfs/dbraw/zinc/14/29/83/360142983.db2.gz QQZFNDXRAIDIAU-UHFFFAOYSA-N 1 0 277.397 1.724 40 0 CDABRO O=c1[nH][nH]c2c1[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccccc1 ZINC000100483642 364199671 /nfs/dbraw/zinc/19/96/71/364199671.db2.gz BSPOJNBSPUPMFB-YUTCNCBUSA-N 1 0 255.321 1.525 40 0 CDABRO CCn1cc(-c2noc(C3CC[NH2+]CC3)n2)c(C)n1 ZINC000575411044 364756319 /nfs/dbraw/zinc/75/63/19/364756319.db2.gz YDCNHJZPKTXCPK-UHFFFAOYSA-N 1 0 261.329 1.728 40 0 CDABRO COC(=O)c1cn(C)nc1COCC[NH+]1CCCCC1 ZINC000575440957 365003494 /nfs/dbraw/zinc/00/34/94/365003494.db2.gz JGYDYCZDYHLWPH-UHFFFAOYSA-N 1 0 281.356 1.209 40 0 CDABRO CCCn1cc(C[NH2+]CCCN2CCOCC2)cn1 ZINC000116912018 372355462 /nfs/dbraw/zinc/35/54/62/372355462.db2.gz KFTCJCXCLATDAL-UHFFFAOYSA-N 1 0 266.389 1.105 40 0 CDABRO COC[C@@]1(C(=O)N2CCC([C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000333264022 205165356 /nfs/dbraw/zinc/16/53/56/205165356.db2.gz JHECXKNAXJVGNC-GOEBONIOSA-N 1 0 296.411 1.030 40 0 CDABRO CC(C)(CO)[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000002679971 373206316 /nfs/dbraw/zinc/20/63/16/373206316.db2.gz STLOVLPNLNZBLY-CQSZACIVSA-N 1 0 279.380 1.276 40 0 CDABRO C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC(C)(C)O1 ZINC000041679804 373977383 /nfs/dbraw/zinc/97/73/83/373977383.db2.gz SHONQYTYXWQYRN-JSGCOSHPSA-N 1 0 276.380 1.582 40 0 CDABRO C[N@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCCCNC1=O ZINC000225596913 374929943 /nfs/dbraw/zinc/92/99/43/374929943.db2.gz WMZNYJLIVXECMH-UONOGXRCSA-N 1 0 268.401 1.528 40 0 CDABRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCC12CCCC2 ZINC000225594272 375169565 /nfs/dbraw/zinc/16/95/65/375169565.db2.gz NWJDVEZWBDMOQV-ZDUSSCGKSA-N 1 0 288.457 1.970 40 0 CDABRO CC1(C)C[C@H]([NH2+]CC(=O)NCc2cccnc2)C(C)(C)O1 ZINC000132554992 375526259 /nfs/dbraw/zinc/52/62/59/375526259.db2.gz LVCRNSCYCTUICH-ZDUSSCGKSA-N 1 0 291.395 1.634 40 0 CDABRO c1nn(C2CCCC2)cc1C[NH2+]CCCN1CCOCC1 ZINC000256049906 190002873 /nfs/dbraw/zinc/00/28/73/190002873.db2.gz BYAWXJMBPISOMU-UHFFFAOYSA-N 1 0 292.427 1.810 40 0 CDABRO COc1ccc(OC)c(-c2ccc3nnc([C@H](C)[NH3+])n3n2)c1 ZINC000217555150 375671749 /nfs/dbraw/zinc/67/17/49/375671749.db2.gz MXLSJGJKCOSHSM-VIFPVBQESA-N 1 0 299.334 1.828 40 0 CDABRO CCn1nccc1-c1cncc(CC2CC[NH2+]CC2)n1 ZINC000257235452 190017241 /nfs/dbraw/zinc/01/72/41/190017241.db2.gz GXXFAGJDAGLGJO-UHFFFAOYSA-N 1 0 271.368 1.902 40 0 CDABRO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)n1 ZINC000257223099 190014695 /nfs/dbraw/zinc/01/46/95/190014695.db2.gz DVWBAMDSSKXOQO-GFCCVEGCSA-N 1 0 259.357 1.831 40 0 CDABRO Cc1nccc([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000257241597 190018328 /nfs/dbraw/zinc/01/83/28/190018328.db2.gz HYQNGXQCNHDNNR-AWEZNQCLSA-N 1 0 288.395 1.587 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)/C=C/c2cccs2)C1 ZINC000257284061 190026594 /nfs/dbraw/zinc/02/65/94/190026594.db2.gz PBCCBVHNJBNZJB-VBROQKIQSA-N 1 0 280.393 1.286 40 0 CDABRO Nc1nccnc1C[C@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000257296740 190028521 /nfs/dbraw/zinc/02/85/21/190028521.db2.gz REEUOXIAZBNQFP-GFCCVEGCSA-N 1 0 284.367 1.304 40 0 CDABRO FC(F)(F)CC[N@@H+]1CCOC[C@H](Cc2ccncn2)C1 ZINC000257299300 190029399 /nfs/dbraw/zinc/02/93/99/190029399.db2.gz RPMLCZHINJPPGJ-LLVKDONJSA-N 1 0 289.301 1.920 40 0 CDABRO Cc1ncc(-c2nccnc2C[C@H]2CC[NH2+]C2)n1C ZINC000257298192 190029460 /nfs/dbraw/zinc/02/94/60/190029460.db2.gz RKOGPHZEKDVVKI-LLVKDONJSA-N 1 0 257.341 1.338 40 0 CDABRO FC(F)(F)c1cccc(-c2nnn(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000257318531 190033587 /nfs/dbraw/zinc/03/35/87/190033587.db2.gz VOHPEAKSNHDGTN-SECBINFHSA-N 1 0 297.284 1.968 40 0 CDABRO Nc1nc2nc([C@@H]3CCCC[N@@H+]3CCO)ccc2s1 ZINC000257329727 190034733 /nfs/dbraw/zinc/03/47/33/190034733.db2.gz XLGDTUAKGCVVPH-JTQLQIEISA-N 1 0 278.381 1.793 40 0 CDABRO C[NH+](C)CCOC(=O)c1ccc(Br)o1 ZINC000026770622 376280762 /nfs/dbraw/zinc/28/07/62/376280762.db2.gz QSUZNOABBVTKHP-UHFFFAOYSA-N 1 0 262.103 1.761 40 0 CDABRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)CC(F)(F)F)CN1 ZINC000330945260 376359983 /nfs/dbraw/zinc/35/99/83/376359983.db2.gz GVYVJCWIBVRNTI-DCAQKATOSA-N 1 0 294.317 1.290 40 0 CDABRO O=C1CCCC2(CC[NH+](Cc3cccnc3)CC2)N1 ZINC000096047391 284785867 /nfs/dbraw/zinc/78/58/67/284785867.db2.gz JDRRNORIZUCYQS-UHFFFAOYSA-N 1 0 259.353 1.716 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@H]1c1ccc(OC)cc1 ZINC000242701549 256698010 /nfs/dbraw/zinc/69/80/10/256698010.db2.gz WHOQDXPLWJZSMR-YNEHKIRRSA-N 1 0 269.366 1.171 40 0 CDABRO COc1ccc(C(=O)NC2CC[NH2+]CC2)cc1OC ZINC000012644919 256785547 /nfs/dbraw/zinc/78/55/47/256785547.db2.gz NXFBHVDBUZBPBA-UHFFFAOYSA-N 1 0 264.325 1.186 40 0 CDABRO COc1ccc(C[NH+]2CCC3(CCNC3=O)CC2)cc1 ZINC000096157705 256813430 /nfs/dbraw/zinc/81/34/30/256813430.db2.gz PMHZRYPDUSLPEU-UHFFFAOYSA-N 1 0 274.364 1.797 40 0 CDABRO Cc1cccc(CN2CC[C@@]3(CCC[NH2+]C3)C2=O)n1 ZINC000096224757 256828205 /nfs/dbraw/zinc/82/82/05/256828205.db2.gz GEGHJJDCLHOKHA-OAHLLOKOSA-N 1 0 259.353 1.492 40 0 CDABRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]21 ZINC000096249491 256834736 /nfs/dbraw/zinc/83/47/36/256834736.db2.gz JEBNGVPJHDYRET-LSDHHAIUSA-N 1 0 277.368 1.226 40 0 CDABRO CCCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1Nc1ccccc1 ZINC000055112098 390488632 /nfs/dbraw/zinc/48/86/32/390488632.db2.gz YTYFYSXDNUDVKJ-ZIAGYGMSSA-N 1 0 282.409 1.654 40 0 CDABRO Cc1nc2c(c(=O)n1Cc1ccccc1)C[NH2+]CC2 ZINC000096516480 390534730 /nfs/dbraw/zinc/53/47/30/390534730.db2.gz SAFMNYGZWOHOPM-UHFFFAOYSA-N 1 0 255.321 1.246 40 0 CDABRO O=C(CC1CCCC1)N1CCO[C@]2(CCC[NH2+]C2)C1 ZINC000096157240 390913327 /nfs/dbraw/zinc/91/33/27/390913327.db2.gz LCUYAGIDXMQHAA-HNNXBMFYSA-N 1 0 266.385 1.548 40 0 CDABRO COc1ccc(N2CC3(CC[NH2+]CC3)OCC2=O)cc1 ZINC000096268845 390913687 /nfs/dbraw/zinc/91/36/87/390913687.db2.gz XOOFCOUMPCOCTC-UHFFFAOYSA-N 1 0 276.336 1.181 40 0 CDABRO C[NH+](C)CCONC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005884692 391065474 /nfs/dbraw/zinc/06/54/74/391065474.db2.gz SZFFHWKHOOUBIW-UHFFFAOYSA-N 1 0 266.385 1.812 40 0 CDABRO COc1ccccc1CC[NH2+]Cc1cnc(N)nc1 ZINC000062717400 391571791 /nfs/dbraw/zinc/57/17/91/391571791.db2.gz XRCBOSREGXPQJI-UHFFFAOYSA-N 1 0 258.325 1.400 40 0 CDABRO CCc1ccc([C@@H]2[C@H]([NH3+])[C@H]2S(=O)(=O)CC)cc1 ZINC000252514083 392797164 /nfs/dbraw/zinc/79/71/64/392797164.db2.gz BDLRAUUMHXAQOZ-AGIUHOORSA-N 1 0 253.367 1.477 40 0 CDABRO [NH3+]CCc1nc(-c2cc3cccc4c3n(c2=O)CCC4)no1 ZINC000062710752 392801019 /nfs/dbraw/zinc/80/10/19/392801019.db2.gz QINASRYVHFOIJP-UHFFFAOYSA-N 1 0 296.330 1.499 40 0 CDABRO Nc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000001733841 169752433 /nfs/dbraw/zinc/75/24/33/169752433.db2.gz ANDNYPHLZAVHFK-UHFFFAOYSA-N 1 0 261.369 1.875 40 0 CDABRO C[NH2+]CCCNCc1cc(OC)c(OC)cc1OC ZINC000008376969 170333833 /nfs/dbraw/zinc/33/38/33/170333833.db2.gz ULANHDDXMJFRFT-UHFFFAOYSA-N 1 0 268.357 1.412 40 0 CDABRO Cc1snnc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH+](C)C ZINC000072246216 176349968 /nfs/dbraw/zinc/34/99/68/176349968.db2.gz KWWXAXMBKQLQLX-GHMZBOCLSA-N 1 0 282.413 1.697 40 0 CDABRO CC(=O)N1CC[NH2+]C[C@@H](COCc2ccccc2)C1 ZINC000072343395 176371450 /nfs/dbraw/zinc/37/14/50/176371450.db2.gz BCPRJFOSKFRXHM-OAHLLOKOSA-N 1 0 262.353 1.271 40 0 CDABRO CC(=O)N1CC[NH2+]C[C@H](Cc2cnc3[nH]ccc3c2)C1 ZINC000072344405 176373099 /nfs/dbraw/zinc/37/30/99/176373099.db2.gz UICBGBHXLLBNPW-ZDUSSCGKSA-N 1 0 272.352 1.173 40 0 CDABRO Cc1cccc(C[N@@H+]2CCCN(c3ncccn3)CC2)n1 ZINC000072351145 176374365 /nfs/dbraw/zinc/37/43/65/176374365.db2.gz KNMZCUZUQIWAIR-UHFFFAOYSA-N 1 0 283.379 1.892 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cc(CO)[nH]n3)C2)cn1 ZINC000072364265 176378776 /nfs/dbraw/zinc/37/87/76/176378776.db2.gz DWXYLJNPBQLQRD-LBPRGKRZSA-N 1 0 275.356 1.015 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cc(CCO)n[nH]3)C2)cn1 ZINC000072364267 176378801 /nfs/dbraw/zinc/37/88/01/176378801.db2.gz DKYXCLSYJFZDBL-ZDUSSCGKSA-N 1 0 289.383 1.058 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc2cccnc21 ZINC000072397595 176394757 /nfs/dbraw/zinc/39/47/57/176394757.db2.gz QOLXLKGUIRIETM-RRQGHBQHSA-N 1 0 297.402 1.874 40 0 CDABRO CO[C@H]1C=CC2=CC[N@@H+]3CCC4=C(CC(=O)OC4)[C@@]23C1 ZINC000078193503 277335157 /nfs/dbraw/zinc/33/51/57/277335157.db2.gz PXWINCSLFXUWBZ-XJKSGUPXSA-N 1 0 273.332 1.589 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)C1CCN(C(=O)C[NH3+])CC1 ZINC000079409276 279299300 /nfs/dbraw/zinc/29/93/00/279299300.db2.gz SAPPKTUISVATID-UHFFFAOYSA-N 1 0 299.415 1.582 40 0 CDABRO Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC000257338634 301033804 /nfs/dbraw/zinc/03/38/04/301033804.db2.gz YYGQKRWHQADKMT-ZDUSSCGKSA-N 1 0 276.384 1.868 40 0 CDABRO CCOC(=O)C[C@H]1C[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000081136767 333207994 /nfs/dbraw/zinc/20/79/94/333207994.db2.gz MFJHGHWUMPXLJR-UWVGGRQHSA-N 1 0 272.345 1.052 40 0 CDABRO Cc1ncsc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000682556430 483285329 /nfs/dbraw/zinc/28/53/29/483285329.db2.gz JBNZVESHSFILGY-NHCYSSNCSA-N 1 0 265.382 1.537 40 0 CDABRO O=C(N1CCO[C@@H](C(F)F)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000872268655 725493013 /nfs/dbraw/zinc/49/30/13/725493013.db2.gz HITWASZUXVJBCH-GYSYKLTISA-N 1 0 288.338 1.401 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(-c2ccoc2)c1 ZINC001548448148 967501274 /nfs/dbraw/zinc/50/12/74/967501274.db2.gz NZFXMJRUQMOQPE-LSDHHAIUSA-N 1 0 286.331 1.663 40 0 CDABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1cnccn1 ZINC000096055784 185075957 /nfs/dbraw/zinc/07/59/57/185075957.db2.gz MWPZNCWUCXENPK-UONOGXRCSA-N 1 0 274.368 1.421 40 0 CDABRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccs1 ZINC000096056461 185078083 /nfs/dbraw/zinc/07/80/83/185078083.db2.gz FGANOLKZSUDIOZ-VXGBXAGGSA-N 1 0 250.367 1.943 40 0 CDABRO CCN(C)c1ncnc2c1CC[N@H+](Cc1ccccn1)CC2 ZINC000096058796 185079494 /nfs/dbraw/zinc/07/94/94/185079494.db2.gz YDCCAFCYPBXLTF-UHFFFAOYSA-N 1 0 297.406 1.929 40 0 CDABRO O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](CC1CC1)CC2 ZINC000096061410 185082285 /nfs/dbraw/zinc/08/22/85/185082285.db2.gz XLOZVTJQLPURBF-HNNXBMFYSA-N 1 0 285.391 1.930 40 0 CDABRO CN1C[C@@H](c2cccc(Br)c2)[C@H]([NH3+])C1 ZINC000096958186 185141329 /nfs/dbraw/zinc/14/13/29/185141329.db2.gz JJDHYTTYWQJHLO-WDEREUQCSA-N 1 0 255.159 1.805 40 0 CDABRO CCOC[C@@H]1C[N@H+](C)C2(CN(Cc3cc(C)n[nH]3)C2)C1 ZINC000585093787 342211310 /nfs/dbraw/zinc/21/13/10/342211310.db2.gz GAEXAZQIRSZKHK-ZDUSSCGKSA-N 1 0 278.400 1.261 40 0 CDABRO C[N@H+]1Cc2cccn2C[C@@H](CC(=O)NCC2CC2)C1 ZINC000585099202 342212238 /nfs/dbraw/zinc/21/22/38/342212238.db2.gz UIAICESIJKTZFS-ZDUSSCGKSA-N 1 0 261.369 1.466 40 0 CDABRO CO[C@H]1CCCN(C(=O)CC[NH3+])[C@H]1Cc1ccccc1F ZINC000585273350 342255851 /nfs/dbraw/zinc/25/58/51/342255851.db2.gz CHEQSNOXWWVGDK-GJZGRUSLSA-N 1 0 294.370 1.723 40 0 CDABRO C[NH+](C)C/C=C/C(=O)N1CCC2(COC(C)(C)C2)CC1 ZINC000585290114 342258718 /nfs/dbraw/zinc/25/87/18/342258718.db2.gz SKIBENVBUOWNLE-AATRIKPKSA-N 1 0 280.412 1.912 40 0 CDABRO CC1(C)C[N@H+](C[C@H](O)Cn2cccn2)[C@H]1[C@@H]1CCCO1 ZINC000329856618 362073387 /nfs/dbraw/zinc/07/33/87/362073387.db2.gz UWQIHDXGDOXTNC-IHRRRGAJSA-N 1 0 279.384 1.133 40 0 CDABRO Cn1cc(N2CC[C@@H]3C[N@H+](CC4CC4)C[C@H]3C2=O)cn1 ZINC000248112994 362151303 /nfs/dbraw/zinc/15/13/03/362151303.db2.gz HVSBAXWWJADGDR-TZMCWYRMSA-N 1 0 274.368 1.115 40 0 CDABRO O=C(CN1CCOCC1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253493093 342429798 /nfs/dbraw/zinc/42/97/98/342429798.db2.gz SDSXUQAOBNTGTH-LSDHHAIUSA-N 1 0 296.411 1.126 40 0 CDABRO CNC(=O)[C@H]1CN(C)CC[N@H+](CC2CCCCC2)C1 ZINC000257336631 362587122 /nfs/dbraw/zinc/58/71/22/362587122.db2.gz YPHGADXUZNBCRU-AWEZNQCLSA-N 1 0 267.417 1.176 40 0 CDABRO CC(C)NC(=O)[C@H]1C[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC000107254049 186164116 /nfs/dbraw/zinc/16/41/16/186164116.db2.gz WNMRVUNITOKDPL-QKDCVEJESA-N 1 0 290.411 1.403 40 0 CDABRO COc1cccc(C[NH+]2CCC3(CNC(=O)C3)CC2)n1 ZINC000108529218 186222083 /nfs/dbraw/zinc/22/20/83/186222083.db2.gz XLIGLKLGKLFAPJ-UHFFFAOYSA-N 1 0 275.352 1.192 40 0 CDABRO CC(C)[C@@](O)(C(=O)OC1CC[NH2+]CC1)c1ccccc1 ZINC000001668930 355945379 /nfs/dbraw/zinc/94/53/79/355945379.db2.gz OWGVEGJIZOLOMW-INIZCTEOSA-N 1 0 277.364 1.825 40 0 CDABRO OCCCn1cc(C[N@@H+]2CC[C@@H](CO)C2)c2ccccc21 ZINC000019376123 356483749 /nfs/dbraw/zinc/48/37/49/356483749.db2.gz GCLFNQLFYRTFHJ-CQSZACIVSA-N 1 0 288.391 1.838 40 0 CDABRO Cc1ccn(CCNC(=O)C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000019238130 356478081 /nfs/dbraw/zinc/47/80/81/356478081.db2.gz LFUNINWRGIDLFC-GFCCVEGCSA-N 1 0 264.373 1.040 40 0 CDABRO Cc1nn(C)c(C)c1CCNC(=O)C[C@H]1CCCC[N@@H+]1C ZINC000019655677 356494149 /nfs/dbraw/zinc/49/41/49/356494149.db2.gz UVETWUPFHYBGEU-CQSZACIVSA-N 1 0 292.427 1.570 40 0 CDABRO Cn1cc2c(n1)nc(N1CCC([NH3+])CC1)cc2C(F)(F)F ZINC000012398913 356681699 /nfs/dbraw/zinc/68/16/99/356681699.db2.gz DPXTWMKXZDHIBR-UHFFFAOYSA-N 1 0 299.300 1.915 40 0 CDABRO O=C1c2ccccc2C2=C1N(O)[C@@H]1CCCCC[C@@H]1[N+]2=O ZINC000100669919 356804320 /nfs/dbraw/zinc/80/43/20/356804320.db2.gz UPUVRTJICMZCNF-QWHCGFSZSA-N 1 0 284.315 1.849 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079409201 356992144 /nfs/dbraw/zinc/99/21/44/356992144.db2.gz PLLZKTLSVDYYFT-NWDGAFQWSA-N 1 0 299.415 1.630 40 0 CDABRO O=C(NC[C@H]1CC[N@@H+](CCO)C1)OCc1ccccc1 ZINC000079410877 356993253 /nfs/dbraw/zinc/99/32/53/356993253.db2.gz QDJUYSXULYHLRU-CQSZACIVSA-N 1 0 278.352 1.227 40 0 CDABRO CSc1ccc(CN(C(=O)C[NH3+])C2CC2)cc1 ZINC000079420524 358070049 /nfs/dbraw/zinc/07/00/49/358070049.db2.gz JNDDQCZIAVFRAA-UHFFFAOYSA-N 1 0 250.367 1.858 40 0 CDABRO CCOCC(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225566847 358353406 /nfs/dbraw/zinc/35/34/06/358353406.db2.gz LSNLOQXCDWTMOJ-CYBMUJFWSA-N 1 0 286.441 1.357 40 0 CDABRO Cc1cnc(N2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000096183290 358713210 /nfs/dbraw/zinc/71/32/10/358713210.db2.gz CVACXILMKJJZLE-LSDHHAIUSA-N 1 0 288.395 1.475 40 0 CDABRO CC(C)NC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cnn(C)c1 ZINC000096184635 358714294 /nfs/dbraw/zinc/71/42/94/358714294.db2.gz BYJNPMZIOZJZNE-UONOGXRCSA-N 1 0 291.399 1.187 40 0 CDABRO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)O1 ZINC000096187252 358715076 /nfs/dbraw/zinc/71/50/76/358715076.db2.gz YYSYXNUCDBMDSS-JHJVBQTASA-N 1 0 264.325 1.148 40 0 CDABRO C[C@@H]1NC(=O)COC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096201477 358717965 /nfs/dbraw/zinc/71/79/65/358717965.db2.gz LJPFIVCYAKIBTM-LBPRGKRZSA-N 1 0 292.354 1.695 40 0 CDABRO Cc1cccc(C[N@H+]2CC[C@H](O)[C@@H]2Cc2cnn(C)c2)n1 ZINC000096200569 358718418 /nfs/dbraw/zinc/71/84/18/358718418.db2.gz AWAJNYBJOQQHLT-HOTGVXAUSA-N 1 0 286.379 1.301 40 0 CDABRO CN(C)C(=O)C[C@H]1C[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096207674 358719956 /nfs/dbraw/zinc/71/99/56/358719956.db2.gz NNDWKAJWDHAZII-BFHYXJOUSA-N 1 0 294.420 1.816 40 0 CDABRO COC[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)[N@@H+]1C ZINC000096207466 358720497 /nfs/dbraw/zinc/72/04/97/358720497.db2.gz OLRQZFOOZLOHFP-HNNXBMFYSA-N 1 0 292.427 1.495 40 0 CDABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096209883 358721349 /nfs/dbraw/zinc/72/13/49/358721349.db2.gz IPEDRKSMTRBLCH-NVXWUHKLSA-N 1 0 288.391 1.727 40 0 CDABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)N1CCCC1)C2 ZINC000096218551 358722117 /nfs/dbraw/zinc/72/21/17/358722117.db2.gz MREFTKDFRFURJV-DZGCQCFKSA-N 1 0 281.400 1.102 40 0 CDABRO C1CC1Nc1nc(N2CCCC2)nc2c1C[NH2+]CC2 ZINC000096254123 358727707 /nfs/dbraw/zinc/72/77/07/358727707.db2.gz RDVQNSSTWJKTMW-UHFFFAOYSA-N 1 0 259.357 1.297 40 0 CDABRO CC[N@@H+]1CCc2cc(C(=O)NC)c(NC(C)C)nc2CC1 ZINC000096260419 358729872 /nfs/dbraw/zinc/72/98/72/358729872.db2.gz VYRHKGSBXWYQPR-UHFFFAOYSA-N 1 0 290.411 1.682 40 0 CDABRO Cn1cnc2c1CCN(CC1CC1)[C@H]2C[NH+]1CCCC1 ZINC000096259798 358729901 /nfs/dbraw/zinc/72/99/01/358729901.db2.gz XVYIUAYSSCIWKH-HNNXBMFYSA-N 1 0 274.412 1.825 40 0 CDABRO c1cc2n(n1)C[C@H](COCC1CC1)C[N@H+]([C@H]1CCOC1)C2 ZINC000107210856 359017724 /nfs/dbraw/zinc/01/77/24/359017724.db2.gz YVKSCWZGGJNTKH-ZBFHGGJFSA-N 1 0 291.395 1.530 40 0 CDABRO Cc1ccc(N2CC[C@@H](C[NH3+])S2(=O)=O)cc1Cl ZINC000222546486 359354275 /nfs/dbraw/zinc/35/42/75/359354275.db2.gz QEACSVXELWUVOW-JTQLQIEISA-N 1 0 274.773 1.516 40 0 CDABRO COC[C@H](O)C[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000075739676 360161870 /nfs/dbraw/zinc/16/18/70/360161870.db2.gz LNXJUVZPYVUYIE-SECBINFHSA-N 1 0 279.167 1.828 40 0 CDABRO O=C(CC1CC1)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257284700 283770576 /nfs/dbraw/zinc/77/05/76/283770576.db2.gz PDWFVLYPLQFTEM-IIAWOOMASA-N 1 0 280.412 1.671 40 0 CDABRO COc1cc(NC(=O)[C@@H]([NH3+])C(C)C)cc(OC)c1 ZINC000019429945 367279161 /nfs/dbraw/zinc/27/91/61/367279161.db2.gz RIXSANRSIDJCBV-LBPRGKRZSA-N 1 0 252.314 1.626 40 0 CDABRO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000225472271 189753341 /nfs/dbraw/zinc/75/33/41/189753341.db2.gz OJVNVVPSHDWSBP-KGLIPLIRSA-N 1 0 297.443 1.663 40 0 CDABRO Cc1nc2ccc(NC(=O)N[C@H]3CC[NH2+]C3(C)C)cn2n1 ZINC000333394174 205283089 /nfs/dbraw/zinc/28/30/89/205283089.db2.gz XXEQOVFNKGGEIF-NSHDSACASA-N 1 0 288.355 1.300 40 0 CDABRO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC[NH2+]CC1 ZINC000064875966 374240345 /nfs/dbraw/zinc/24/03/45/374240345.db2.gz LXRJIRBQGURPAH-CQSZACIVSA-N 1 0 275.396 1.926 40 0 CDABRO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[NH2+]C2)[nH]1 ZINC000019405551 374732296 /nfs/dbraw/zinc/73/22/96/374732296.db2.gz KBNXBPIHYRJYKI-LLVKDONJSA-N 1 0 256.309 1.299 40 0 CDABRO O=C(NCc1cccs1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC000306136484 374969850 /nfs/dbraw/zinc/96/98/50/374969850.db2.gz PUQSAHINGPZBLA-ZMLRMANQSA-N 1 0 266.366 1.131 40 0 CDABRO O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(CC1CC1)C2 ZINC000096111768 375058008 /nfs/dbraw/zinc/05/80/08/375058008.db2.gz PVMMOLYBCVNOQN-AAEUAGOBSA-N 1 0 258.321 1.870 40 0 biogenic,in-vitro CDABRO COC(=O)[C@H]1C[C@]2(c3ccccc3NC2=O)[N@@H+]2CCC[C@@H]12 ZINC000216298108 375393901 /nfs/dbraw/zinc/39/39/01/375393901.db2.gz GILNPVJKDQWNGY-YNZJMPHRSA-N 1 0 286.331 1.491 40 0 CDABRO CC[C@H](C)n1nccc1C[NH2+]CCCN1CCOCC1 ZINC000256051126 190004020 /nfs/dbraw/zinc/00/40/20/190004020.db2.gz HVKNEPHKSUVMDP-AWEZNQCLSA-N 1 0 280.416 1.666 40 0 CDABRO COc1ccc([C@H]2C[N@H+](C)C[C@@H]2CO)cc1OC ZINC000217674324 375703089 /nfs/dbraw/zinc/70/30/89/375703089.db2.gz XHXDOFSAVHGMOV-VXGBXAGGSA-N 1 0 251.326 1.341 40 0 CDABRO CN(C(=O)C1CC1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257270890 190023718 /nfs/dbraw/zinc/02/37/18/190023718.db2.gz MWAPOEMGNOOJLY-MGPQQGTHSA-N 1 0 266.385 1.233 40 0 CDABRO CN(Cc1ccnc([C@H]2CCCO2)n1)C1CC[NH+](C)CC1 ZINC000257260980 190022698 /nfs/dbraw/zinc/02/26/98/190022698.db2.gz LFHWUYHMTCGOGG-OAHLLOKOSA-N 1 0 290.411 1.854 40 0 CDABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000257263622 190022707 /nfs/dbraw/zinc/02/27/07/190022707.db2.gz LQTVUADTJBJVMC-ZDUSSCGKSA-N 1 0 279.384 1.439 40 0 CDABRO O[C@H]1C[N@H+](Cc2cncs2)CC[C@@]12CCCO2 ZINC000257260638 190022768 /nfs/dbraw/zinc/02/27/68/190022768.db2.gz LDRXBXPISOWIRI-RYUDHWBXSA-N 1 0 254.355 1.259 40 0 CDABRO CO[C@H]1C[N@H+](Cc2cnc(C)nc2)CC[C@@]12CCCO2 ZINC000257279352 190025364 /nfs/dbraw/zinc/02/53/64/190025364.db2.gz OGEZCKVMDRILSB-GJZGRUSLSA-N 1 0 277.368 1.555 40 0 CDABRO Cc1cc(Nc2ncc(F)c(C[C@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000257282465 190026314 /nfs/dbraw/zinc/02/63/14/190026314.db2.gz OTVRSKYBXXADLR-SNVBAGLBSA-N 1 0 290.346 1.933 40 0 CDABRO CNC(=O)[C@H]1CN(Cc2cc(F)ccc2F)CC[N@H+](C)C1 ZINC000257310409 190032120 /nfs/dbraw/zinc/03/21/20/190032120.db2.gz UEZAGOAQHMZUOM-GFCCVEGCSA-N 1 0 297.349 1.074 40 0 CDABRO CCCOC(=O)c1cc(N)ccc1N1CC[NH+](CC)CC1 ZINC000070461615 377035421 /nfs/dbraw/zinc/03/54/21/377035421.db2.gz NBIFAGMHFSRMNQ-UHFFFAOYSA-N 1 0 291.395 1.978 40 0 CDABRO CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[NH2+]1 ZINC000022055473 390237591 /nfs/dbraw/zinc/23/75/91/390237591.db2.gz DNCQVDWVNKMOOB-TUAOUCFPSA-N 1 0 254.374 1.042 40 0 in-vitro CDABRO [NH3+]C[C@@H](c1cncc(Br)c1)N1CCOCC1 ZINC000096511147 390530727 /nfs/dbraw/zinc/53/07/27/390530727.db2.gz MHSVBWJLRDAKEP-NSHDSACASA-N 1 0 286.173 1.176 40 0 CDABRO c1c(C2CC2)nn2ccnc(N3CCC[NH2+]CC3)c12 ZINC000096516392 390534784 /nfs/dbraw/zinc/53/47/84/390534784.db2.gz RISZRUBOQIPOMM-UHFFFAOYSA-N 1 0 257.341 1.406 40 0 CDABRO CCCn1nc(C)cc1CN(C)C[C@H]1CCC[NH2+]1 ZINC000096523703 390537903 /nfs/dbraw/zinc/53/79/03/390537903.db2.gz DKYAIMCUGDFQSI-CYBMUJFWSA-N 1 0 250.390 1.785 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409425264 390554800 /nfs/dbraw/zinc/55/48/00/390554800.db2.gz KGGWRDBQBRRWIW-NSHDSACASA-N 1 0 295.387 1.384 40 0 CDABRO CC[C@@](O)(C[NH3+])[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072208028 390616045 /nfs/dbraw/zinc/61/60/45/390616045.db2.gz YMELRIJWLBJZQJ-BXUZGUMPSA-N 1 0 272.389 1.876 40 0 CDABRO CC[NH+](CC)CCCN[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000026439663 391105683 /nfs/dbraw/zinc/10/56/83/391105683.db2.gz PAPCLXHWLGLUBH-LBPRGKRZSA-N 1 0 282.388 1.632 40 0 CDABRO CO[C@@H]1CCN(C(=O)c2occc2C)[C@@H](C[NH3+])C1 ZINC000161087939 391843217 /nfs/dbraw/zinc/84/32/17/391843217.db2.gz SWUNSRFFLVLJCO-GHMZBOCLSA-N 1 0 252.314 1.166 40 0 CDABRO Fc1ccc(-c2cc(N3CC[NH2+]CC3)ncn2)cc1 ZINC000082567937 135008189 /nfs/dbraw/zinc/00/81/89/135008189.db2.gz RWBIFEZOWUGNMU-UHFFFAOYSA-N 1 0 258.300 1.692 40 0 CDABRO Cc1nnc(SCC(=O)NCCC[NH+](C)C)s1 ZINC000005669888 170126036 /nfs/dbraw/zinc/12/60/36/170126036.db2.gz BCXNOQMTGKDEOS-UHFFFAOYSA-N 1 0 274.415 1.007 40 0 CDABRO CC(C)C(=O)N(C)Cc1cc([C@H]2CCC[NH2+]C2)nn1C ZINC000019709169 170842188 /nfs/dbraw/zinc/84/21/88/170842188.db2.gz IMJCVTVCWBRRIE-LBPRGKRZSA-N 1 0 278.400 1.502 40 0 CDABRO Cn1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000022056293 171351388 /nfs/dbraw/zinc/35/13/88/171351388.db2.gz VIGVTDRZHFWDBM-FUNVUKJBSA-N 1 0 298.390 1.976 40 0 CDABRO COc1ccc([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000022165633 171365516 /nfs/dbraw/zinc/36/55/16/171365516.db2.gz HUYPIKDZTWEIMM-SLEUVZQESA-N 1 0 294.395 1.813 40 0 CDABRO C[C@]1(C(F)F)CN(C(=O)C2([NH3+])CC3(CCC3)C2)CCO1 ZINC000663003580 413802252 /nfs/dbraw/zinc/80/22/52/413802252.db2.gz ZLAPDZKTVGZULR-GFCCVEGCSA-N 1 0 288.338 1.531 40 0 CDABRO Cc1ccc(S(=O)(=O)C2CC[NH2+]CC2)c(C)c1 ZINC000071574983 176201959 /nfs/dbraw/zinc/20/19/59/176201959.db2.gz FYSZSCYNMSSNPQ-UHFFFAOYSA-N 1 0 253.367 1.829 40 0 CDABRO Cc1nc(CCC(N)=O)cc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072366368 176381392 /nfs/dbraw/zinc/38/13/92/176381392.db2.gz VVSIZUPTTOQHOA-CYBMUJFWSA-N 1 0 290.411 1.791 40 0 CDABRO CC(C)N1CC[N@H+](CCc2ccccc2)C[C@@H]1C(N)=O ZINC000072367721 176382949 /nfs/dbraw/zinc/38/29/49/176382949.db2.gz FITFINWTRXQKFB-OAHLLOKOSA-N 1 0 275.396 1.109 40 0 CDABRO COC(=O)[C@H]1C[NH2+][C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1 ZINC000005997267 273995649 /nfs/dbraw/zinc/99/56/49/273995649.db2.gz ORIBUSCBDFDAIQ-MPKXVKKWSA-N 1 0 270.332 1.959 40 0 CDABRO CC[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cn3)C2)C1 ZINC000096229354 276389845 /nfs/dbraw/zinc/38/98/45/276389845.db2.gz AERCGQGONHWSNW-MRXNPFEDSA-N 1 0 290.411 1.724 40 0 CDABRO CCN(C(C)=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079417986 279013799 /nfs/dbraw/zinc/01/37/99/279013799.db2.gz SYJXTMADJWQXPQ-IHRRRGAJSA-N 1 0 283.416 1.266 40 0 CDABRO CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)[NH3+] ZINC000079391246 279219453 /nfs/dbraw/zinc/21/94/53/279219453.db2.gz LSDDOAJZYKUXBC-RYUDHWBXSA-N 1 0 299.415 1.582 40 0 CDABRO Cn1cccc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257315376 302963136 /nfs/dbraw/zinc/96/31/36/302963136.db2.gz VBBSAANWWNMFMQ-HNNXBMFYSA-N 1 0 269.348 1.812 40 0 CDABRO Cc1cccc(N2CC[C@H](C[NH3+])S2(=O)=O)c1C ZINC000260759166 328063999 /nfs/dbraw/zinc/06/39/99/328063999.db2.gz FFBHQZSTGSPQKZ-LLVKDONJSA-N 1 0 254.355 1.171 40 0 CDABRO CCCNc1ncc(C[NH2+]CCCn2ccnc2)cn1 ZINC000062717713 333176163 /nfs/dbraw/zinc/17/61/63/333176163.db2.gz JEPBDAHZWUGWLR-UHFFFAOYSA-N 1 0 274.372 1.675 40 0 CDABRO [NH3+][C@]1(O)CC=c2ccccc2=C1c1cccc2ccccc21 ZINC001772490877 1167406473 /nfs/dbraw/zinc/40/64/73/1167406473.db2.gz MYNJFAISGIXBDI-FQEVSTJZSA-N 1 0 287.362 1.870 40 0 CDABRO CC(C)(C)Oc1ccc(C[C@H]([NH3+])C2(O)COC2)cc1 ZINC000584883974 727216620 /nfs/dbraw/zinc/21/66/20/727216620.db2.gz ACPQVHLCSSMDHJ-ZDUSSCGKSA-N 1 0 265.353 1.495 40 0 CDABRO COCCN1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1=O ZINC000096054618 185076393 /nfs/dbraw/zinc/07/63/93/185076393.db2.gz DXCKBWJPXDLKPQ-ZFWWWQNUSA-N 1 0 289.379 1.008 40 0 CDABRO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccco1 ZINC000096055803 185076452 /nfs/dbraw/zinc/07/64/52/185076452.db2.gz SFRNZHVBZHFNAE-KGLIPLIRSA-N 1 0 277.368 1.016 40 0 CDABRO COCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053906 185076832 /nfs/dbraw/zinc/07/68/32/185076832.db2.gz WIDKRHFQVQDGDN-OKILXGFUSA-N 1 0 292.354 1.362 40 0 CDABRO c1ccc(-c2nnn3c2CO[C@H](C[NH2+]CC2CC2)C3)cc1 ZINC000096061095 185082827 /nfs/dbraw/zinc/08/28/27/185082827.db2.gz OCIIJKFDHQZXQM-CQSZACIVSA-N 1 0 284.363 1.844 40 0 CDABRO c1csc(C[NH2+]C[C@@H]2Cn3nncc3CO2)c1 ZINC000096060992 185082829 /nfs/dbraw/zinc/08/28/29/185082829.db2.gz LGHXCLWDLKXCIT-SNVBAGLBSA-N 1 0 250.327 1.028 40 0 CDABRO CCN1C(=O)C[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)n1 ZINC000096081181 185091457 /nfs/dbraw/zinc/09/14/57/185091457.db2.gz MXOBEFGLJUQCRZ-ZIAGYGMSSA-N 1 0 259.353 1.585 40 0 CDABRO F[C@@H]1C[N@H+](CC2CC2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112129 185101674 /nfs/dbraw/zinc/10/16/74/185101674.db2.gz ATRDQNVQFAAHNP-RISCZKNCSA-N 1 0 290.342 1.907 40 0 biogenic,in-vitro CDABRO NC(=O)c1cc[n+](C/C=C/CN2C=CC(=CN=O)C=C2)cc1 ZINC000139404149 342139347 /nfs/dbraw/zinc/13/93/47/342139347.db2.gz UILZOFLNCNKRGW-OWOJBTEDSA-O 1 0 297.338 1.623 40 0 CDABRO COCc1nnc2n1CCN(Cc1cc(C)on1)[C@H](C)C2 ZINC000585098728 342212098 /nfs/dbraw/zinc/21/20/98/342212098.db2.gz YBNMNMWBUUTXFD-SNVBAGLBSA-N 1 0 291.355 1.168 40 0 CDABRO C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104105 342212514 /nfs/dbraw/zinc/21/25/14/342212514.db2.gz JBARUBIYIVRRAO-MRXNPFEDSA-N 1 0 274.364 1.367 40 0 CDABRO C[NH+](C)[C@H]1CN(Cc2ccc(OCCF)cc2)C[C@@H]1O ZINC000585270278 342255633 /nfs/dbraw/zinc/25/56/33/342255633.db2.gz SRKRVRRBOICOJT-GJZGRUSLSA-N 1 0 282.359 1.142 40 0 CDABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccc3[nH]ccc3c2)[C@@H]1O ZINC000585290946 342258869 /nfs/dbraw/zinc/25/88/69/342258869.db2.gz JFHJWQXHRWGWLU-OAGGEKHMSA-N 1 0 290.363 1.374 40 0 CDABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)CO)cc2c1 ZINC000585293219 342259151 /nfs/dbraw/zinc/25/91/51/342259151.db2.gz SERSMROCBOUQKK-CYBMUJFWSA-N 1 0 276.336 1.000 40 0 CDABRO CC(C)c1ccc(C[N@H+]2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2C)cc1 ZINC000585294736 342260619 /nfs/dbraw/zinc/26/06/19/342260619.db2.gz IQJDTHDDFWZFAT-BJKJVOPESA-N 1 0 279.380 1.097 40 0 CDABRO c1cn(C[C@@H]2CC[C@@H]3[C@@H]2OCCN3Cc2ccccn2)cn1 ZINC000248078761 362148118 /nfs/dbraw/zinc/14/81/18/362148118.db2.gz HYCNUIXRCHWTES-USXIJHARSA-N 1 0 298.390 1.958 40 0 CDABRO Cn1cc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)cn1 ZINC000503723230 362302250 /nfs/dbraw/zinc/30/22/50/362302250.db2.gz NCAMOZYNKFWSLB-HOTGVXAUSA-N 1 0 290.411 1.105 40 0 CDABRO O=C(C[C@H]1COC2(C1)CC[NH2+]CC2)N1CCCC1 ZINC000306125925 201839715 /nfs/dbraw/zinc/83/97/15/201839715.db2.gz DFSJYMNCIKXZER-GFCCVEGCSA-N 1 0 252.358 1.158 40 0 CDABRO C[NH+](C)C[C@@H]1COCCN1C(=O)Cc1ccccc1 ZINC000085469991 179075415 /nfs/dbraw/zinc/07/54/15/179075415.db2.gz WRYAQJYUBFKPTK-CQSZACIVSA-N 1 0 262.353 1.018 40 0 CDABRO CC(C)[N@H+](CCO)C[C@@H]1COc2ccccc2O1 ZINC000050103762 355887958 /nfs/dbraw/zinc/88/79/58/355887958.db2.gz PZFNQHKQDFISBZ-GFCCVEGCSA-N 1 0 251.326 1.529 40 0 CDABRO CS(=O)(=O)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000001694475 355947915 /nfs/dbraw/zinc/94/79/15/355947915.db2.gz YRQSMKZHDMJZRV-CYBMUJFWSA-N 1 0 274.430 1.677 40 0 CDABRO O=C(c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000019506137 358503203 /nfs/dbraw/zinc/50/32/03/358503203.db2.gz NIWDJNXTGZQJFZ-UHFFFAOYSA-N 1 0 269.142 1.495 40 0 CDABRO CC(C)Cn1cc2[nH]c(N3CCC(O)CC3)ncc-2c1=O ZINC000072265489 356701477 /nfs/dbraw/zinc/70/14/77/356701477.db2.gz KEONFCLDABPZTB-UHFFFAOYSA-N 1 0 290.367 1.050 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391390 356988672 /nfs/dbraw/zinc/98/86/72/356988672.db2.gz QLVOFDRZIGLEMI-RYUDHWBXSA-N 1 0 299.415 1.438 40 0 CDABRO C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079416041 356995707 /nfs/dbraw/zinc/99/57/07/356995707.db2.gz OTXLUJPDRDTOLU-OAHLLOKOSA-N 1 0 276.380 1.915 40 0 CDABRO CC(C)N(Cc1cnc(Cl)s1)C(=O)[C@H](C)[NH3+] ZINC000079422113 356996176 /nfs/dbraw/zinc/99/61/76/356996176.db2.gz AWBIDZCWPCFOPU-ZETCQYMHSA-N 1 0 261.778 1.881 40 0 CDABRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000053203108 357284913 /nfs/dbraw/zinc/28/49/13/357284913.db2.gz PWPNGKIKOSIFEJ-NSHDSACASA-N 1 0 272.345 1.198 40 0 CDABRO C[C@@H]1CCC[N@H+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397372 357832408 /nfs/dbraw/zinc/83/24/08/357832408.db2.gz ZVSWVLRLGPVXER-CYBMUJFWSA-N 1 0 276.384 1.545 40 0 CDABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397379 357832935 /nfs/dbraw/zinc/83/29/35/357832935.db2.gz BCHDRTJILNPJNE-KBPBESRZSA-N 1 0 290.411 1.791 40 0 CDABRO CCN(CC1CCN(CC[NH3+])CC1)C(=O)OC(C)(C)C ZINC000079408484 358070130 /nfs/dbraw/zinc/07/01/30/358070130.db2.gz LCFSQKMBMNHYOT-UHFFFAOYSA-N 1 0 285.432 1.914 40 0 CDABRO O=C(c1ccco1)N1CC2(C1)C[C@H](CO)C[N@@H+]2CC1CC1 ZINC000585093965 358098831 /nfs/dbraw/zinc/09/88/31/358098831.db2.gz UFBUJTNDLZUMFP-ZDUSSCGKSA-N 1 0 290.363 1.198 40 0 CDABRO COC[C@]12CCCO[C@H]1CC[N@H+](CC1CCOCC1)C2 ZINC000096056774 358707175 /nfs/dbraw/zinc/70/71/75/358707175.db2.gz VHQFVCVHLZKTKM-JKSUJKDBSA-N 1 0 283.412 1.931 40 0 CDABRO COC[C@@H]1Cn2ccnc2CN(Cc2csc(C)n2)C1 ZINC000096187745 358714832 /nfs/dbraw/zinc/71/48/32/358714832.db2.gz WSSHIVCKQIQNQF-LBPRGKRZSA-N 1 0 292.408 1.926 40 0 CDABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)N3CCCC3)C2)C1 ZINC000096218555 358722235 /nfs/dbraw/zinc/72/22/35/358722235.db2.gz SBPUONZSYKMYOM-GOEBONIOSA-N 1 0 295.427 1.492 40 0 CDABRO COCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccco3)CC[C@@H]21 ZINC000096249195 358726341 /nfs/dbraw/zinc/72/63/41/358726341.db2.gz KOUAPVKUYYGZHZ-STQMWFEESA-N 1 0 278.352 1.462 40 0 CDABRO Nc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3c3ccccc32)cn1 ZINC000096268379 358730339 /nfs/dbraw/zinc/73/03/39/358730339.db2.gz QPKITQATJSFXPK-GXTWGEPZSA-N 1 0 294.358 1.627 40 0 CDABRO C[NH+](C)CCn1ncc2c(Br)cccc2c1=O ZINC000095097290 366504500 /nfs/dbraw/zinc/50/45/00/366504500.db2.gz WXGZHJNRBGLMCG-UHFFFAOYSA-N 1 0 296.168 1.721 40 0 CDABRO COc1ccc(CC[NH2+]CCN2CCOCC2)cc1 ZINC000022920510 359142797 /nfs/dbraw/zinc/14/27/97/359142797.db2.gz FVUHHUQKKABSTJ-UHFFFAOYSA-N 1 0 264.369 1.160 40 0 CDABRO CCc1ccccc1N1CC[C@@H](C[NH3+])S1(=O)=O ZINC000222540090 359353011 /nfs/dbraw/zinc/35/30/11/359353011.db2.gz UGFQVFQCRPEHDC-NSHDSACASA-N 1 0 254.355 1.116 40 0 CDABRO CCOCc1cc(C(=O)N2CCN(C)CC2)ccc1OC ZINC000224407212 359507352 /nfs/dbraw/zinc/50/73/52/359507352.db2.gz JPTVMONEKMWGBQ-UHFFFAOYSA-N 1 0 292.379 1.619 40 0 CDABRO CCOC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000031666611 359641454 /nfs/dbraw/zinc/64/14/54/359641454.db2.gz MQCDIELPAMDKKB-HNNXBMFYSA-N 1 0 264.369 1.206 40 0 CDABRO COCCOC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000225484865 374495388 /nfs/dbraw/zinc/49/53/88/374495388.db2.gz PWWLQOIJQFGOTG-HNNXBMFYSA-N 1 0 292.379 1.340 40 0 CDABRO COC(=O)CCN(Cc1nnc(C2CC2)o1)C(C)C ZINC000079100043 374770084 /nfs/dbraw/zinc/77/00/84/374770084.db2.gz GLRLTPYATONEFT-UHFFFAOYSA-N 1 0 267.329 1.721 40 0 CDABRO COc1ccc(NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000306136917 374970080 /nfs/dbraw/zinc/97/00/80/374970080.db2.gz QGUFBOUYYOUAEZ-HNNXBMFYSA-N 1 0 289.335 1.532 40 0 CDABRO CCCn1cc(C[NH2+]Cc2cc(C)nn2C)c(C)n1 ZINC000256054531 190005233 /nfs/dbraw/zinc/00/52/33/190005233.db2.gz WSEBFYQXRCFTIZ-UHFFFAOYSA-N 1 0 261.373 1.933 40 0 CDABRO COCCC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256049892 190002979 /nfs/dbraw/zinc/00/29/79/190002979.db2.gz BXBGMLHKIPOMKJ-UHFFFAOYSA-N 1 0 251.252 1.565 40 0 CDABRO OC1(C[N@@H+]2CCC[C@@H]2c2cnccn2)CCOCC1 ZINC000257228973 190016307 /nfs/dbraw/zinc/01/63/07/190016307.db2.gz FWBFTIPMFVBXEK-CYBMUJFWSA-N 1 0 263.341 1.155 40 0 CDABRO CN(C)C(=O)[C@H]1CN(Cc2ccccc2F)CC[N@H+](C)C1 ZINC000257233278 190016860 /nfs/dbraw/zinc/01/68/60/190016860.db2.gz GOOUWFMSILGMCA-CQSZACIVSA-N 1 0 293.386 1.278 40 0 CDABRO Cc1nc(C(=O)NCC2CC2)cc(C2CC[NH+](C)CC2)n1 ZINC000257247147 190019351 /nfs/dbraw/zinc/01/93/51/190019351.db2.gz IXRZJOAQJFWHAE-UHFFFAOYSA-N 1 0 288.395 1.734 40 0 CDABRO Cn1ccnc1-c1cncc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000257270379 190023663 /nfs/dbraw/zinc/02/36/63/190023663.db2.gz MTZUYFYTCSMVMS-NSHDSACASA-N 1 0 257.341 1.419 40 0 CDABRO COCC[N@@H+]1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257274088 190025085 /nfs/dbraw/zinc/02/50/85/190025085.db2.gz NJMQBNRZOWEXQZ-HUUCEWRRSA-N 1 0 265.353 1.537 40 0 CDABRO C[C@@H]1CN(c2cncc(C3CC[NH+](C)CC3)n2)C(=O)O1 ZINC000257293128 190028681 /nfs/dbraw/zinc/02/86/81/190028681.db2.gz QOGOJLLQLDLIQF-SNVBAGLBSA-N 1 0 276.340 1.631 40 0 CDABRO Nc1c(C(=O)[C@@H]2CCC[NH2+]C2)cnn1-c1ccccc1 ZINC000257332446 190035912 /nfs/dbraw/zinc/03/59/12/190035912.db2.gz XXJIUMOHRPJTKG-LLVKDONJSA-N 1 0 270.336 1.637 40 0 CDABRO CC(C)[C@H]1CN([C@H]2CCN(C3CCC3)C2=O)CC[NH2+]1 ZINC000631824880 376651950 /nfs/dbraw/zinc/65/19/50/376651950.db2.gz STPQMTFGEXXOPV-KGLIPLIRSA-N 1 0 265.401 1.070 40 0 CDABRO O=C(Cc1cn2ccccc2n1)Nc1nccs1 ZINC000041304165 379364940 /nfs/dbraw/zinc/36/49/40/379364940.db2.gz BYWXTALBVORGCY-UHFFFAOYSA-N 1 0 258.306 1.972 40 0 CDABRO CC1(C)C[N@H+](C[C@H]2CNC(=O)C2)Cc2ccccc21 ZINC000660131854 412946054 /nfs/dbraw/zinc/94/60/54/412946054.db2.gz ODIADRXVZKRDMF-GFCCVEGCSA-N 1 0 258.365 1.916 40 0 CDABRO CC(C)[NH+](CCn1cnc2c1ncnc2N)C(C)C ZINC000001584936 390139980 /nfs/dbraw/zinc/13/99/80/390139980.db2.gz KXFRPCPJNNLFDR-UHFFFAOYSA-N 1 0 262.361 1.527 40 0 CDABRO Cc1ccc2c(n1)N(CCn1cccn1)CC[NH2+]C2 ZINC000096260869 390434903 /nfs/dbraw/zinc/43/49/03/390434903.db2.gz NCRBNZCWCOBUCO-UHFFFAOYSA-N 1 0 257.341 1.196 40 0 CDABRO C[C@@]12CCCC[C@@]1(O)N(O)C1=C(CCCC1)[N+]2=O ZINC000013738989 390482364 /nfs/dbraw/zinc/48/23/64/390482364.db2.gz RSURCJPOXVTFIU-OLZOCXBDSA-N 1 0 252.314 1.498 40 0 CDABRO CNC(=O)c1nnn(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000096517157 390532119 /nfs/dbraw/zinc/53/21/19/390532119.db2.gz TUKWGOIGVGVMJC-UHFFFAOYSA-N 1 0 285.351 1.094 40 0 CDABRO COc1ccc([C@@H](N)c2nc(Cn3cccn3)n[nH]2)cc1 ZINC000095533699 390607031 /nfs/dbraw/zinc/60/70/31/390607031.db2.gz LGTXATPWLSTSNU-CYBMUJFWSA-N 1 0 284.323 1.106 40 0 CDABRO C[C@H]([NH3+])[C@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000072208293 390616392 /nfs/dbraw/zinc/61/63/92/390616392.db2.gz UXYKRUPUCPDXKJ-JSGCOSHPSA-N 1 0 262.353 1.366 40 0 CDABRO Cc1cccc2c1cnn2CCC(=O)NCCC[NH+](C)C ZINC000040769011 392000007 /nfs/dbraw/zinc/00/00/07/392000007.db2.gz MXHRADUXXNSKSE-UHFFFAOYSA-N 1 0 288.395 1.803 40 0 CDABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O ZINC000242400250 392695601 /nfs/dbraw/zinc/69/56/01/392695601.db2.gz ARXKOCAAFLCZJU-RRFJBIMHSA-N 1 0 297.420 1.487 40 0 CDABRO CCN1CCC[C@@H]1C[NH2+]Cc1cnc(SC)nc1 ZINC000062718339 392804508 /nfs/dbraw/zinc/80/45/08/392804508.db2.gz KXLCRBFJPLWUBR-GFCCVEGCSA-N 1 0 266.414 1.772 40 0 CDABRO CC(C)NC(=O)N1CCC(C[N@@H+]2CCN(C)C[C@@H]2C)CC1 ZINC000085468295 397611159 /nfs/dbraw/zinc/61/11/59/397611159.db2.gz UWKAPPSLLUOJAH-AWEZNQCLSA-N 1 0 296.459 1.452 40 0 CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000026439556 287023535 /nfs/dbraw/zinc/02/35/35/287023535.db2.gz MNFVVDCATODWRQ-QWHCGFSZSA-N 1 0 255.406 1.317 40 0 CDABRO Cc1cccc(C)c1NC(=O)C(=O)NCCC[NH+](C)C ZINC000005184243 170074558 /nfs/dbraw/zinc/07/45/58/170074558.db2.gz CCEVHXNBXGTSPX-UHFFFAOYSA-N 1 0 277.368 1.310 40 0 CDABRO Cc1cc(C)c(NC(=O)C(=O)NCCC[NH+](C)C)c(C)c1 ZINC000005251354 170080043 /nfs/dbraw/zinc/08/00/43/170080043.db2.gz KFGYNDLIXHVXGC-UHFFFAOYSA-N 1 0 291.395 1.618 40 0 CDABRO C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc2c(c1)ncn2C ZINC000019718642 170842845 /nfs/dbraw/zinc/84/28/45/170842845.db2.gz VAJIYARKCGEFRN-GFCCVEGCSA-N 1 0 286.379 1.787 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000071029338 176022031 /nfs/dbraw/zinc/02/20/31/176022031.db2.gz JDYHMAXSNFUEDM-NSHDSACASA-N 1 0 280.372 1.899 40 0 CDABRO Brc1ccc(N2CC[NH+]3CCC2CC3)nn1 ZINC000071255436 176095503 /nfs/dbraw/zinc/09/55/03/176095503.db2.gz HDTMGTDXVWAWEJ-UHFFFAOYSA-N 1 0 283.173 1.524 40 0 CDABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1C ZINC000071814559 176268708 /nfs/dbraw/zinc/26/87/08/176268708.db2.gz KQSBLBKYFDMSPY-GFCCVEGCSA-N 1 0 264.373 1.932 40 0 CDABRO Cc1ccccc1-n1cc(C(=O)N2CCC([NH3+])CC2)nn1 ZINC000072221284 176343227 /nfs/dbraw/zinc/34/32/27/176343227.db2.gz FSNAALWYTHKBRA-UHFFFAOYSA-N 1 0 285.351 1.139 40 0 CDABRO Cc1ccnc(NC(=O)c2cncc(C3CC[NH2+]CC3)n2)c1 ZINC000072365649 176381235 /nfs/dbraw/zinc/38/12/35/176381235.db2.gz YVQJTHPAGJJUDV-UHFFFAOYSA-N 1 0 297.362 1.899 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(F)c1 ZINC000072397568 176394767 /nfs/dbraw/zinc/39/47/67/176394767.db2.gz JGYRAOGEWYUKGQ-NILFDRSVSA-N 1 0 264.344 1.465 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cc(F)ccc1F ZINC000072397613 176395288 /nfs/dbraw/zinc/39/52/88/176395288.db2.gz CXRGNYDKPUQGJC-LEWSCRJBSA-N 1 0 282.334 1.604 40 0 CDABRO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCS(C)(=O)=O)C2)cc1 ZINC000076393058 177014123 /nfs/dbraw/zinc/01/41/23/177014123.db2.gz WPLZMBYXNBJWHB-TZMCWYRMSA-N 1 0 297.420 1.918 40 0 CDABRO CNC(=O)C[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000096242889 265345687 /nfs/dbraw/zinc/34/56/87/265345687.db2.gz IZFPPGATHCMZGY-GFCCVEGCSA-N 1 0 274.364 1.811 40 0 CDABRO Cc1nc2cc(F)ccc2n1C1CC[NH+](CC(N)=O)CC1 ZINC000035314265 274849798 /nfs/dbraw/zinc/84/97/98/274849798.db2.gz HLNPFHDRDGVCBD-UHFFFAOYSA-N 1 0 290.342 1.606 40 0 CDABRO CC(C)C[NH+]1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]2C1 ZINC000096080968 275580591 /nfs/dbraw/zinc/58/05/91/275580591.db2.gz IYYWLGUGPXANNQ-RYUDHWBXSA-N 1 0 279.409 1.803 40 0 CDABRO CCC[C@@H]1[C@H](C)CCCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333756639 276034421 /nfs/dbraw/zinc/03/44/21/276034421.db2.gz ZVQKCAHMLMCMEN-RBSFLKMASA-N 1 0 297.443 1.975 40 0 CDABRO CC(C)CC[N@@H+]1C[C@H]2C[C@@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000248295626 277354950 /nfs/dbraw/zinc/35/49/50/277354950.db2.gz WWOUFUXPKOXBOC-MGPQQGTHSA-N 1 0 268.401 1.646 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCO)C1 ZINC000079407967 279004973 /nfs/dbraw/zinc/00/49/73/279004973.db2.gz ZRDOOJASGDMATQ-NSHDSACASA-N 1 0 258.362 1.310 40 0 CDABRO [NH3+]CCN1C(=O)O[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000039320086 303381644 /nfs/dbraw/zinc/38/16/44/303381644.db2.gz AJDHZBROXHPFQN-SNVBAGLBSA-N 1 0 268.700 1.189 40 0 CDABRO Fc1ccc(C[NH2+]C[C@H]2Cn3ccnc3CO2)cc1F ZINC000096269249 327113403 /nfs/dbraw/zinc/11/34/03/327113403.db2.gz BELNUSANSLRJED-NSHDSACASA-N 1 0 279.290 1.850 40 0 biogenic,in-vitro CDABRO Cc1nn(S(=O)(=O)c2ccc(C)cc2)c(C)c1CC[NH3+] ZINC000002525586 482203357 /nfs/dbraw/zinc/20/33/57/482203357.db2.gz NKTKHFDDJCOLMC-UHFFFAOYSA-N 1 0 293.392 1.547 40 0 CDABRO CC[NH+](CC)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)Cc2ccnn21 ZINC000575405397 342451870 /nfs/dbraw/zinc/45/18/70/342451870.db2.gz HQWYXVCGALZHTO-CFVMTHIKSA-N 1 0 290.411 1.764 40 0 CDABRO COCC[N@H+]1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000096040699 185069293 /nfs/dbraw/zinc/06/92/93/185069293.db2.gz PEAUNLBXLANUPS-LZWOXQAQSA-N 1 0 291.395 1.619 40 0 CDABRO CN1CCOCC12CC[NH+](Cc1ccco1)CC2 ZINC000096048898 185072453 /nfs/dbraw/zinc/07/24/53/185072453.db2.gz UCESKMJZKLZGAJ-UHFFFAOYSA-N 1 0 250.342 1.576 40 0 CDABRO O[C@@H]1CC[N@H+](Cc2ccccn2)[C@H]1Cc1cccnc1 ZINC000096061605 185082502 /nfs/dbraw/zinc/08/25/02/185082502.db2.gz ZPQHUGZRGSXEFD-JKSUJKDBSA-N 1 0 269.348 1.655 40 0 CDABRO c1csc(C[NH2+]C[C@H]2Cn3nncc3CO2)c1 ZINC000096060993 185082636 /nfs/dbraw/zinc/08/26/36/185082636.db2.gz LGHXCLWDLKXCIT-JTQLQIEISA-N 1 0 250.327 1.028 40 0 CDABRO O=C(NCc1cnc2n1CC[N@@H+](CC1CC1)C2)C1CC1 ZINC000096061939 185082910 /nfs/dbraw/zinc/08/29/10/185082910.db2.gz YVZPCEOQNWUBTA-UHFFFAOYSA-N 1 0 274.368 1.135 40 0 CDABRO C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096076205 185089542 /nfs/dbraw/zinc/08/95/42/185089542.db2.gz SZWDVKXCGGBVMW-OAHLLOKOSA-N 1 0 294.420 1.933 40 0 CDABRO Cn1cncc1C(=O)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1 ZINC000096075996 185090409 /nfs/dbraw/zinc/09/04/09/185090409.db2.gz UDOLNKHMLFYXSE-OAHLLOKOSA-N 1 0 274.368 1.121 40 0 CDABRO CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccco2)C1 ZINC000096083186 185091988 /nfs/dbraw/zinc/09/19/88/185091988.db2.gz KEWBKTAMSBVIMA-IACUBPJLSA-N 1 0 278.352 1.347 40 0 CDABRO C[NH+](C)C[C@]12COC[C@H]1CN(Cc1ccco1)C2 ZINC000096108236 185099300 /nfs/dbraw/zinc/09/93/00/185099300.db2.gz ZQFRVJMVGAILBV-OCCSQVGLSA-N 1 0 250.342 1.290 40 0 CDABRO CC(C)CC(=O)N1Cc2ccnn2[C@@H](C[NH+](C)C)C1 ZINC000585095176 342211419 /nfs/dbraw/zinc/21/14/19/342211419.db2.gz IDZRLUPNMINJRZ-ZDUSSCGKSA-N 1 0 264.373 1.374 40 0 CDABRO CNC(=O)C1=NO[C@@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC000585101310 342212352 /nfs/dbraw/zinc/21/23/52/342212352.db2.gz XGVHRRYUXMAHHM-CQSZACIVSA-N 1 0 267.373 1.389 40 0 CDABRO C[C@H]1CC[C@H]([NH2+]CCCNS(C)(=O)=O)C[C@@H]1C ZINC000097379716 290637691 /nfs/dbraw/zinc/63/76/91/290637691.db2.gz QTTDZFPKQLOFEQ-SRVKXCTJSA-N 1 0 262.419 1.340 40 0 CDABRO CN(C)C(=O)C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]1 ZINC000585263470 342250666 /nfs/dbraw/zinc/25/06/66/342250666.db2.gz LAERMYJRYGNZEG-MNOVXSKESA-N 1 0 285.388 1.110 40 0 CDABRO COCC[N@@H+]1CCC[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585268909 342254399 /nfs/dbraw/zinc/25/43/99/342254399.db2.gz DFIVNKXMAFPZKG-INIZCTEOSA-N 1 0 279.380 1.847 40 0 CDABRO C[NH+](C)[C@@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096047929 282227290 /nfs/dbraw/zinc/22/72/90/282227290.db2.gz PMLQXELTDZIKDP-LBPRGKRZSA-N 1 0 262.357 1.166 40 0 CDABRO Cc1cc(NC[C@@H]2CCCCS2(=O)=O)cc[nH+]1 ZINC000330093777 362145445 /nfs/dbraw/zinc/14/54/45/362145445.db2.gz RYLANWGMQZMQGX-LBPRGKRZSA-N 1 0 254.355 1.191 40 0 CDABRO CC(C)[N@@H+]1C[C@H]2OC[C@@H](CNC(=O)c3cccnc3)[C@H]2C1 ZINC000248026024 362145619 /nfs/dbraw/zinc/14/56/19/362145619.db2.gz WHGMAWRLLNAQHR-RBSFLKMASA-N 1 0 289.379 1.167 40 0 CDABRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccnc2C)C1 ZINC000623743282 345452320 /nfs/dbraw/zinc/45/23/20/345452320.db2.gz OLBQYWDGSMBIID-RISCZKNCSA-N 1 0 276.384 1.529 40 0 CDABRO Cc1c[nH]nc1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC000257338633 362587143 /nfs/dbraw/zinc/58/71/43/362587143.db2.gz YYGQKRWHQADKMT-CYBMUJFWSA-N 1 0 276.384 1.868 40 0 CDABRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2nccs2)C1 ZINC000069216443 349093785 /nfs/dbraw/zinc/09/37/85/349093785.db2.gz UPVWCJYFIHOVCS-VIFPVBQESA-N 1 0 254.359 1.701 40 0 CDABRO O=C(Cc1ccccc1)N1CCOC2(CC[NH2+]CC2)C1 ZINC000107193276 186162115 /nfs/dbraw/zinc/16/21/15/186162115.db2.gz SVQDKYBGVGGKQR-UHFFFAOYSA-N 1 0 274.364 1.210 40 0 CDABRO CC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC000107282640 186165916 /nfs/dbraw/zinc/16/59/16/186165916.db2.gz OBSBYWZZUYLNOL-CABCVRRESA-N 1 0 266.385 1.357 40 0 CDABRO c1cc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)co1 ZINC000107746635 186189413 /nfs/dbraw/zinc/18/94/13/186189413.db2.gz DEOKXVDOAVQACW-CVEARBPZSA-N 1 0 276.380 1.965 40 0 CDABRO C[NH2+]C[C@@H](C)CNC(=O)Cc1cccc(Cl)c1 ZINC000148862437 187918403 /nfs/dbraw/zinc/91/84/03/187918403.db2.gz PXVQCPVKCRDDBS-SNVBAGLBSA-N 1 0 254.761 1.854 40 0 CDABRO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](CC)CO)cc1 ZINC000002705571 355978993 /nfs/dbraw/zinc/97/89/93/355978993.db2.gz QSCNSJFTLJKABL-ZIAGYGMSSA-N 1 0 295.379 1.380 40 0 CDABRO CC[C@@H](OC[C@@H](O)C[NH2+]C(C)(C)CO)c1ccccc1 ZINC000002694711 355979114 /nfs/dbraw/zinc/97/91/14/355979114.db2.gz FCTIXENUHXHGQX-LSDHHAIUSA-N 1 0 281.396 1.876 40 0 CDABRO C[NH2+]CC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000001669917 355946080 /nfs/dbraw/zinc/94/60/80/355946080.db2.gz DAJONRZNJCVWHE-UHFFFAOYSA-N 1 0 264.325 1.657 40 0 CDABRO COc1ccc(-c2ncc(C[N@@H+]3CC[C@H](CO)C3)cn2)cc1 ZINC000012183006 356290542 /nfs/dbraw/zinc/29/05/42/356290542.db2.gz NZURPCZCYNWCLF-ZDUSSCGKSA-N 1 0 299.374 1.966 40 0 CDABRO CCOC(=O)C1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000012370441 356295308 /nfs/dbraw/zinc/29/53/08/356295308.db2.gz BMBWEVVLGSEYRI-UHFFFAOYSA-N 1 0 263.341 1.320 40 0 CDABRO C[NH+](C)CCNC(=S)Nc1ccc(F)cc1F ZINC000013765450 356356953 /nfs/dbraw/zinc/35/69/53/356356953.db2.gz GLKKVPKRFKPVQR-UHFFFAOYSA-N 1 0 259.325 1.813 40 0 CDABRO C[C@H]1CCCCN1S(=O)(=O)c1ccsc1C[NH3+] ZINC000015424079 356416065 /nfs/dbraw/zinc/41/60/65/356416065.db2.gz QZCGHWDOVGCECW-VIFPVBQESA-N 1 0 274.411 1.770 40 0 CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)NC1CCCCC1 ZINC000020299803 356535961 /nfs/dbraw/zinc/53/59/61/356535961.db2.gz HIXWDYAWKNTXDA-GFCCVEGCSA-N 1 0 255.406 1.365 40 0 CDABRO CCOC(=O)C[C@@]1([NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000091303315 358509539 /nfs/dbraw/zinc/50/95/39/358509539.db2.gz ZSZRYZNIEKNLGN-AWEZNQCLSA-N 1 0 286.372 1.668 40 0 CDABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cccnc1 ZINC000073642309 356937959 /nfs/dbraw/zinc/93/79/59/356937959.db2.gz FZZKUTJEUWHCBV-UHFFFAOYSA-N 1 0 266.304 1.743 40 0 CDABRO CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391244 356988482 /nfs/dbraw/zinc/98/84/82/356988482.db2.gz YKBMEICFWDODBH-QWRGUYRKSA-N 1 0 285.388 1.192 40 0 CDABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=[NH2+])C2)cc1 ZINC000079839110 357002670 /nfs/dbraw/zinc/00/26/70/357002670.db2.gz VKBSONLEBBHWSW-NSHDSACASA-N 1 0 281.381 1.332 40 0 CDABRO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)s1 ZINC000072397660 357832923 /nfs/dbraw/zinc/83/29/23/357832923.db2.gz MUPLHMGBHUJIAM-KGYLQXTDSA-N 1 0 266.410 1.696 40 0 CDABRO COC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082334429 358160412 /nfs/dbraw/zinc/16/04/12/358160412.db2.gz OSZMTRSQMDESOK-NSHDSACASA-N 1 0 276.336 1.754 40 0 CDABRO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](CC3CCC3)C[C@@H]21 ZINC000096043473 358706222 /nfs/dbraw/zinc/70/62/22/358706222.db2.gz KGBCWRFZCUZIEQ-BZUAXINKSA-N 1 0 292.423 1.792 40 0 CDABRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](CC2CC2)C1)N1CCCO1 ZINC000096057704 358707162 /nfs/dbraw/zinc/70/71/62/358707162.db2.gz AWVAWLZIBOILHY-BFHYXJOUSA-N 1 0 280.368 1.040 40 0 CDABRO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccncc2)O1 ZINC000096187232 358714948 /nfs/dbraw/zinc/71/49/48/358714948.db2.gz ZUKJJYNLYSQARF-RBSFLKMASA-N 1 0 289.379 1.292 40 0 CDABRO C[NH+]1CCC2(C[C@@H](NC(=O)c3ccccn3)CO2)CC1 ZINC000096221175 358723172 /nfs/dbraw/zinc/72/31/72/358723172.db2.gz WAKKGMXMCGFKQG-GFCCVEGCSA-N 1 0 275.352 1.065 40 0 CDABRO COCCN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1cccs1 ZINC000096245823 358725529 /nfs/dbraw/zinc/72/55/29/358725529.db2.gz JDSSYNAJXPJAGA-STQMWFEESA-N 1 0 280.393 1.570 40 0 CDABRO O=C(c1ccco1)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000096246058 358725912 /nfs/dbraw/zinc/72/59/12/358725912.db2.gz YDUSOOHFWLWEON-MELADBBJSA-N 1 0 290.363 1.462 40 0 CDABRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]21 ZINC000096249490 358726881 /nfs/dbraw/zinc/72/68/81/358726881.db2.gz JEBNGVPJHDYRET-GJZGRUSLSA-N 1 0 277.368 1.226 40 0 CDABRO c1cnn(Cc2nnn3c2C[N@H+](CC2CC2)CCC3)c1 ZINC000096259534 358728937 /nfs/dbraw/zinc/72/89/37/358728937.db2.gz WOSSPOHAPNEUDM-UHFFFAOYSA-N 1 0 272.356 1.139 40 0 CDABRO COc1ccccc1C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000013999908 366506414 /nfs/dbraw/zinc/50/64/14/366506414.db2.gz RAGQZLBXYBQKSV-UHFFFAOYSA-N 1 0 292.379 1.927 40 0 CDABRO CNC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(SC)cc1 ZINC000075646557 359295554 /nfs/dbraw/zinc/29/55/54/359295554.db2.gz MYXZOTROURIMRW-CQSZACIVSA-N 1 0 294.420 1.998 40 0 CDABRO Cn1cc(C[NH2+]C2CCN(c3nccs3)CC2)nn1 ZINC000329675970 361702487 /nfs/dbraw/zinc/70/24/87/361702487.db2.gz VZNWSBPHTMDUJY-UHFFFAOYSA-N 1 0 278.385 1.030 40 0 CDABRO Cc1cc(=O)n(C)c(=O)n1CCCCC[NH+]1CCCC1 ZINC000003672244 370562046 /nfs/dbraw/zinc/56/20/46/370562046.db2.gz ZRLSCSUWGPXHFZ-UHFFFAOYSA-N 1 0 279.384 1.122 40 0 CDABRO COCC[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000049138621 373981690 /nfs/dbraw/zinc/98/16/90/373981690.db2.gz YKHWMINTNFAJCT-UHFFFAOYSA-N 1 0 268.382 1.589 40 0 CDABRO O=C(C1CC[NH+](C[C@@H]2CO2)CC1)N1CCCCC1 ZINC000095097806 374871468 /nfs/dbraw/zinc/87/14/68/374871468.db2.gz XVLCKLGCKPVKHP-CYBMUJFWSA-N 1 0 252.358 1.110 40 0 CDABRO Cc1cccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cnn(C)c2)n1 ZINC000306138571 374970309 /nfs/dbraw/zinc/97/03/09/374970309.db2.gz SAYGZLGRSMOSSE-JKSUJKDBSA-N 1 0 297.406 1.977 40 0 CDABRO Cc1nc(CN2C(=O)COC3(CC[NH2+]CC3)[C@@H]2C)cs1 ZINC000306124918 374968506 /nfs/dbraw/zinc/96/85/06/374968506.db2.gz CCFNKRGABAGFDD-JTQLQIEISA-N 1 0 295.408 1.321 40 0 CDABRO CC(C)COCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000225722103 375191468 /nfs/dbraw/zinc/19/14/68/375191468.db2.gz MJDLPRBDNUHYGN-UONOGXRCSA-N 1 0 268.401 1.650 40 0 CDABRO CC[NH+](CC)CCNCc1cnn(CC(C)C)c1 ZINC000256052730 190004093 /nfs/dbraw/zinc/00/40/93/190004093.db2.gz OKPNBPFTVIGMGK-UHFFFAOYSA-N 1 0 252.406 1.971 40 0 CDABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cccnn1 ZINC000257253007 190020558 /nfs/dbraw/zinc/02/05/58/190020558.db2.gz JXEVQHPKBBJYPZ-ZGMNHVEMSA-N 1 0 286.379 1.612 40 0 CDABRO O=C(/C=C/c1cccs1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257249429 190020330 /nfs/dbraw/zinc/02/03/30/190020330.db2.gz JIHLWRHLHAWKQK-QAMKJQMISA-N 1 0 292.404 1.429 40 0 CDABRO [NH3+]CC1(S(=O)(=O)c2cccs2)CCOCC1 ZINC000217932368 375764375 /nfs/dbraw/zinc/76/43/75/375764375.db2.gz LDAQSRMBLOVXCE-UHFFFAOYSA-N 1 0 261.368 1.030 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@@]1(C[NH3+])COC ZINC000218025592 375779384 /nfs/dbraw/zinc/77/93/84/375779384.db2.gz CPXWCVFFZLXJNZ-BFHYXJOUSA-N 1 0 283.393 1.179 40 0 CDABRO CCn1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c(C)n1 ZINC000257295744 190028177 /nfs/dbraw/zinc/02/81/77/190028177.db2.gz QZRAUQHULGEAFW-GJZGRUSLSA-N 1 0 279.384 1.327 40 0 CDABRO Cc1ncoc1C(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257295291 190028815 /nfs/dbraw/zinc/02/88/15/190028815.db2.gz QXSJWXWQOKMVFO-JHJVBQTASA-N 1 0 293.367 1.043 40 0 CDABRO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccc(F)cc1 ZINC000054290263 377449509 /nfs/dbraw/zinc/44/95/09/377449509.db2.gz OELIDEZVSVPEMT-LBPRGKRZSA-N 1 0 250.317 1.832 40 0 CDABRO Cc1ccc(C[NH2+]C[C@H]2Cn3ccnc3CO2)cc1 ZINC000096296263 256793008 /nfs/dbraw/zinc/79/30/08/256793008.db2.gz BILXLBUJMWGCKV-AWEZNQCLSA-N 1 0 257.337 1.880 40 0 biogenic,in-vitro CDABRO O=CN1CCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216149 390620888 /nfs/dbraw/zinc/62/08/88/390620888.db2.gz LPKFHEZUCFIHSS-ZDUSSCGKSA-N 1 0 261.325 1.212 40 0 CDABRO CC[C@H]([NH3+])c1cnc(N2CCN(C(C)=O)CC2)cc1C ZINC000072223739 390624120 /nfs/dbraw/zinc/62/41/20/390624120.db2.gz NCVGOMAFIABERA-AWEZNQCLSA-N 1 0 276.384 1.468 40 0 CDABRO COC[C@@H]1Cn2ccnc2C[N@H+](CC2CCOCC2)C1 ZINC000096059105 390912334 /nfs/dbraw/zinc/91/23/34/390912334.db2.gz IVCVEMHAXISAOH-AWEZNQCLSA-N 1 0 279.384 1.388 40 0 CDABRO CCc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(C)(=O)=O)cc1 ZINC000218540665 391083679 /nfs/dbraw/zinc/08/36/79/391083679.db2.gz KCNTZBMFYQZVHI-XQQFMLRXSA-N 1 0 253.367 1.334 40 0 CDABRO CNc1ncc(C[NH2+]Cc2ccc(OC)cc2)cn1 ZINC000062717471 391571059 /nfs/dbraw/zinc/57/10/59/391571059.db2.gz LSELSWILWONROT-UHFFFAOYSA-N 1 0 258.325 1.817 40 0 CDABRO O=C1NCCN1CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000336811544 392100999 /nfs/dbraw/zinc/10/09/99/392100999.db2.gz NKBRIBIYGICLCV-CYBMUJFWSA-N 1 0 260.341 1.244 40 0 CDABRO CC[NH+](CC)CCOCCOC(=O)c1ccc(N)cc1 ZINC000001646393 169732556 /nfs/dbraw/zinc/73/25/56/169732556.db2.gz HSJYYWDTDKJYCT-UHFFFAOYSA-N 1 0 280.368 1.784 40 0 CDABRO c1cnc(N2CCC3(C[NH+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000096070843 398069608 /nfs/dbraw/zinc/06/96/08/398069608.db2.gz LTLBKVHSKUGBQP-CYBMUJFWSA-N 1 0 274.368 1.025 40 0 CDABRO CC[C@H]1CCCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000004969109 170046819 /nfs/dbraw/zinc/04/68/19/170046819.db2.gz DQBYUQAIMHCDPL-QWHCGFSZSA-N 1 0 254.374 1.546 40 0 CDABRO COc1ccccc1[C@@H](C[NH3+])N1C[C@H](C)O[C@@H](C)C1 ZINC000022218022 171376144 /nfs/dbraw/zinc/37/61/44/171376144.db2.gz VYATYFLJNUSCQT-SGMGOOAPSA-N 1 0 264.369 1.804 40 0 CDABRO COc1ccccc1[C@H](C[NH3+])N1C[C@H](C)O[C@@H](C)C1 ZINC000022218025 171376179 /nfs/dbraw/zinc/37/61/79/171376179.db2.gz VYATYFLJNUSCQT-OBJOEFQTSA-N 1 0 264.369 1.804 40 0 CDABRO CC[NH+]1CCN([C@@H](C)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000022585891 171393292 /nfs/dbraw/zinc/39/32/92/171393292.db2.gz IOZKOQRPGKNAOG-KBPBESRZSA-N 1 0 267.417 1.271 40 0 CDABRO COCCOCc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000067664947 175781694 /nfs/dbraw/zinc/78/16/94/175781694.db2.gz QEWDDLNGKAKJOA-HNNXBMFYSA-N 1 0 297.395 1.587 40 0 in-vitro CDABRO Cc1c[nH]nc1[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000072364560 176379357 /nfs/dbraw/zinc/37/93/57/176379357.db2.gz FXRPSZBHCRPICW-ZDUSSCGKSA-N 1 0 276.384 1.723 40 0 CDABRO c1cc([C@H]2CCCC[NH2+]2)nc(Nc2cncnc2)n1 ZINC000072376748 176385283 /nfs/dbraw/zinc/38/52/83/176385283.db2.gz PJWHWYXNISAFRW-LLVKDONJSA-N 1 0 256.313 1.825 40 0 CDABRO C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(Cn3cccn3)c2)C1 ZINC000072392095 176394198 /nfs/dbraw/zinc/39/41/98/176394198.db2.gz OGZKCFNQQBAPOJ-CQSZACIVSA-N 1 0 284.363 1.822 40 0 CDABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1CO ZINC000072397543 176394836 /nfs/dbraw/zinc/39/48/36/176394836.db2.gz JQFVYZLHYDTKKA-CJNGLKHVSA-N 1 0 290.407 1.856 40 0 CDABRO Cn1cc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)c2ccccc21 ZINC000077266765 177247256 /nfs/dbraw/zinc/24/72/56/177247256.db2.gz XHVJXYRASSZMSI-AWEZNQCLSA-N 1 0 298.390 1.730 40 0 biogenic,in-vitro CDABRO CCn1nc(C)c(C[NH2+]CC2(O)CCOCC2)c1C ZINC000078552506 177353434 /nfs/dbraw/zinc/35/34/34/177353434.db2.gz GJFIUMKCNWGCGY-UHFFFAOYSA-N 1 0 267.373 1.151 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242750362 261271211 /nfs/dbraw/zinc/27/12/11/261271211.db2.gz ZNPRGXOEYHPPBT-DCAQKATOSA-N 1 0 285.388 1.286 40 0 CDABRO [NH3+]C1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC000096228604 265335857 /nfs/dbraw/zinc/33/58/57/265335857.db2.gz GGYTZYXAQFOOBB-UHFFFAOYSA-N 1 0 259.353 1.844 40 0 CDABRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000074192118 276094000 /nfs/dbraw/zinc/09/40/00/276094000.db2.gz CHAWOHXHWYAVAW-HNNXBMFYSA-N 1 0 276.380 1.928 40 0 CDABRO CCN(CC)C(=O)c1nc2c(s1)CC[NH2+]CC2 ZINC000096147039 276321299 /nfs/dbraw/zinc/32/12/99/276321299.db2.gz WFDFZVAXBIPVPG-UHFFFAOYSA-N 1 0 253.371 1.313 40 0 CDABRO CN1C(=O)C2(C[C@@H]1Cc1ccc(F)cc1)CC[NH2+]CC2 ZINC000257198104 277006393 /nfs/dbraw/zinc/00/63/93/277006393.db2.gz STVDBGYSDZELEX-AWEZNQCLSA-N 1 0 276.355 1.969 40 0 CDABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000306138131 277889315 /nfs/dbraw/zinc/88/93/15/277889315.db2.gz RPXKEFQHWFKGQO-JKSUJKDBSA-N 1 0 297.358 1.666 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cnco2)cc1 ZINC000257245601 277928323 /nfs/dbraw/zinc/92/83/23/277928323.db2.gz IQGSEIWZDCECFB-ZDUSSCGKSA-N 1 0 287.319 1.470 40 0 CDABRO CC(=O)N(C(C)C)C1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000079417730 277956373 /nfs/dbraw/zinc/95/63/73/277956373.db2.gz LEKOSKZRJNYYDN-PKSQDBQZSA-N 1 0 269.389 1.018 40 0 CDABRO Cc1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000096053989 280822626 /nfs/dbraw/zinc/82/26/26/280822626.db2.gz UXVKNOXADYTQTN-KBPBESRZSA-N 1 0 284.363 1.946 40 0 CDABRO CCCCc1ccc(N2CC[C@H](C[NH3+])S2(=O)=O)cc1 ZINC000260753118 328063709 /nfs/dbraw/zinc/06/37/09/328063709.db2.gz BLADWLJRGIUHHS-CQSZACIVSA-N 1 0 282.409 1.896 40 0 CDABRO CCOC[C@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218025869 333125785 /nfs/dbraw/zinc/12/57/85/333125785.db2.gz BLWJLKXJNKQTKR-QLFBSQMISA-N 1 0 297.420 1.569 40 0 CDABRO [NH3+][C@H](CC(=O)NCc1ccccn1)c1ccccc1 ZINC000019517634 527384073 /nfs/dbraw/zinc/38/40/73/527384073.db2.gz ZCFYNXFCLMTZHI-CQSZACIVSA-N 1 0 255.321 1.788 40 0 CDABRO O=C(OC(C(F)(F)F)C(F)(F)F)N1CC[NH2+]CC1 ZINC000222609940 1177923179 /nfs/dbraw/zinc/92/31/79/1177923179.db2.gz LZZVRRMMBYPJSZ-UHFFFAOYSA-N 1 0 280.168 1.521 40 0 CDABRO [NH3+]Cc1cc(Br)cnc1OC(F)F ZINC001504244964 906834191 /nfs/dbraw/zinc/83/41/91/906834191.db2.gz MTUQWJDHWWVLIE-UHFFFAOYSA-N 1 0 253.046 1.904 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccc(F)cc1Cl ZINC001548448031 969398981 /nfs/dbraw/zinc/39/89/81/969398981.db2.gz HXNQPSZVAGNVMR-NWDGAFQWSA-N 1 0 286.734 1.125 40 0 CDABRO Cc1ccc(C[NH2+]C[C@@H]2OCCc3cn(C)nc32)o1 ZINC000096059681 185080603 /nfs/dbraw/zinc/08/06/03/185080603.db2.gz PXLRKZYKVXACFI-ZDUSSCGKSA-N 1 0 261.325 1.725 40 0 CDABRO COC[C@H]1C[N@H+](CC2CC2)Cc2nnn(CC3CC3)c21 ZINC000096060899 185082194 /nfs/dbraw/zinc/08/21/94/185082194.db2.gz IHZBHVAKGOMUEJ-CYBMUJFWSA-N 1 0 276.384 1.644 40 0 CDABRO c1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1 ZINC000096073781 185087887 /nfs/dbraw/zinc/08/78/87/185087887.db2.gz HDRKVDSHMOWRFE-GOEBONIOSA-N 1 0 288.395 1.922 40 0 CDABRO Cc1cc(N2C(=O)OCC2(C)C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000585178812 342232607 /nfs/dbraw/zinc/23/26/07/342232607.db2.gz URKAMPBCHPLPOS-JTQLQIEISA-N 1 0 276.340 1.945 40 0 CDABRO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCO[C@H](CO)C1 ZINC000221363617 342301915 /nfs/dbraw/zinc/30/19/15/342301915.db2.gz KCTJGCIJPLHBAV-WFASDCNBSA-N 1 0 267.344 1.840 40 0 CDABRO O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccccc1F ZINC000247764582 362130737 /nfs/dbraw/zinc/13/07/37/362130737.db2.gz JPJSFVJYFXVFHO-MNOVXSKESA-N 1 0 291.326 1.117 40 0 CDABRO CCC[N@@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccco3)CC[C@H]21 ZINC000247972659 362142678 /nfs/dbraw/zinc/14/26/78/362142678.db2.gz DPKWKMFMBGRXIX-UMVBOHGHSA-N 1 0 292.379 1.899 40 0 CDABRO c1ccc(COC[C@]23CCCO[C@H]2CC[NH2+]C3)nc1 ZINC000306143476 201844745 /nfs/dbraw/zinc/84/47/45/201844745.db2.gz YDBHIZUJFQLFHF-LSDHHAIUSA-N 1 0 262.353 1.757 40 0 CDABRO O=C(NCC1CC1)C1([NH2+]Cc2cncnc2)CCCC1 ZINC000154548567 351301488 /nfs/dbraw/zinc/30/14/88/351301488.db2.gz MSLBVGYRJLFSOK-UHFFFAOYSA-N 1 0 274.368 1.405 40 0 CDABRO CN(C)CC(C[NH+](C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000001590727 355940806 /nfs/dbraw/zinc/94/08/06/355940806.db2.gz WCCUTVPZEIWMAM-UHFFFAOYSA-N 1 0 278.352 1.337 40 0 CDABRO NC(=O)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000001665418 355945545 /nfs/dbraw/zinc/94/55/45/355945545.db2.gz KSVDTSSQFZXYIE-UHFFFAOYSA-N 1 0 257.337 1.865 40 0 CDABRO Cc1n[nH]c(C)c1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063218606 363495069 /nfs/dbraw/zinc/49/50/69/363495069.db2.gz AWFGGUJHWXBGEQ-CQSZACIVSA-N 1 0 259.353 1.720 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391232 356988366 /nfs/dbraw/zinc/98/83/66/356988366.db2.gz WHQRBQCOCLVTFU-RYUDHWBXSA-N 1 0 299.415 1.439 40 0 CDABRO CC(=O)N(C(C)C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000079418028 356994870 /nfs/dbraw/zinc/99/48/70/356994870.db2.gz GYOZRIFCHFODJR-KBPBESRZSA-N 1 0 283.416 1.218 40 0 CDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccccc1Br ZINC000054370245 357319581 /nfs/dbraw/zinc/31/95/81/357319581.db2.gz WADIEPGOGGCXRH-SECBINFHSA-N 1 0 283.169 1.883 40 0 CDABRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000058040584 357375123 /nfs/dbraw/zinc/37/51/23/357375123.db2.gz BQKYUIMZWPVGFZ-GFCCVEGCSA-N 1 0 297.399 1.208 40 0 CDABRO CC[C@H](c1nnnn1C(C)(C)CC)N1CC[NH+](CC)CC1 ZINC000019500581 358097320 /nfs/dbraw/zinc/09/73/20/358097320.db2.gz KRFCOABNZFWXEI-CYBMUJFWSA-N 1 0 294.447 1.907 40 0 CDABRO COC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000082334612 358160649 /nfs/dbraw/zinc/16/06/49/358160649.db2.gz RPFCXONKHBFPJG-GFCCVEGCSA-N 1 0 276.336 1.754 40 0 CDABRO COc1ccc(Br)cc1COC[C@H](O)C[NH3+] ZINC000095096241 366431630 /nfs/dbraw/zinc/43/16/30/366431630.db2.gz SETQNQLAEVDELN-SNVBAGLBSA-N 1 0 290.157 1.294 40 0 CDABRO CCSC[C@@H](C)[N@H+](C)Cc1cc(=O)c(O)co1 ZINC000072903191 358744558 /nfs/dbraw/zinc/74/45/58/358744558.db2.gz VOCFJMGBAAGQSY-SECBINFHSA-N 1 0 257.355 1.919 40 0 CDABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)o1 ZINC000096186225 358714288 /nfs/dbraw/zinc/71/42/88/358714288.db2.gz XEYQBJKHKDYDFV-HUUCEWRRSA-N 1 0 292.379 1.800 40 0 CDABRO CC(C)[N@@H+]1C[C@H](N(C)Cc2cncnc2)[C@@H]2OCCC[C@@H]21 ZINC000096186020 358714337 /nfs/dbraw/zinc/71/43/37/358714337.db2.gz QREBMZCTYUAFMH-HRCADAONSA-N 1 0 290.411 1.549 40 0 CDABRO Cc1cccc(C[NH+]2CCC3(CC2)OCC(=O)N[C@@H]3C)n1 ZINC000096201483 358718317 /nfs/dbraw/zinc/71/83/17/358718317.db2.gz XNTSWPSPSMLPGF-CYBMUJFWSA-N 1 0 289.379 1.260 40 0 CDABRO Fc1cccnc1OC[C@H]1C[NH2+]Cc2cncn2C1 ZINC000096217692 358722380 /nfs/dbraw/zinc/72/23/80/358722380.db2.gz DJNFIHVQPVUDCW-JTQLQIEISA-N 1 0 262.288 1.216 40 0 CDABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000096217829 358722433 /nfs/dbraw/zinc/72/24/33/358722433.db2.gz VSPVUHDRYIXNMY-DOTOQJQBSA-N 1 0 292.423 1.769 40 0 CDABRO COc1cc(OC)cc([C@@H](C[NH3+])N2CCCC2)c1 ZINC000019840856 359000475 /nfs/dbraw/zinc/00/04/75/359000475.db2.gz YWYNUVIYQUMADG-CQSZACIVSA-N 1 0 250.342 1.799 40 0 CDABRO CCc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)CC)cc1 ZINC000218582279 359059266 /nfs/dbraw/zinc/05/92/66/359059266.db2.gz NBBAEOSFOGDZKE-IHRRRGAJSA-N 1 0 267.394 1.724 40 0 CDABRO CCc1ccc(N2CC[C@@H](C[NH3+])S2(=O)=O)cc1 ZINC000222540176 359353328 /nfs/dbraw/zinc/35/33/28/359353328.db2.gz HYHHXXWOSLHMER-LBPRGKRZSA-N 1 0 254.355 1.116 40 0 CDABRO O=C(NCC[NH2+]C1CC1)c1cc(F)c(F)c(F)c1 ZINC000063008300 359636333 /nfs/dbraw/zinc/63/63/33/359636333.db2.gz FDNFDWIOWPCLIN-UHFFFAOYSA-N 1 0 258.243 1.586 40 0 CDABRO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@H+](CC2CC2)C1 ZINC000015674220 360727021 /nfs/dbraw/zinc/72/70/21/360727021.db2.gz ZQWVHJYNJYFEGM-YPMHNXCESA-N 1 0 286.335 1.649 40 0 biogenic,in-vitro CDABRO COc1ccc(-c2c(N)n(C)nc2C[NH+](C)C)cc1 ZINC000026511943 370729211 /nfs/dbraw/zinc/72/92/11/370729211.db2.gz XPZDCQTWNIBGHH-UHFFFAOYSA-N 1 0 260.341 1.740 40 0 CDABRO O=C(c1cccnc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062663782 365171540 /nfs/dbraw/zinc/17/15/40/365171540.db2.gz ZCRCDVLNFHXXLZ-HNNXBMFYSA-N 1 0 267.332 1.868 40 0 CDABRO CN1CC[C@@H]([N@@H+]2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000075864084 366906570 /nfs/dbraw/zinc/90/65/70/366906570.db2.gz PSLYIYOXMTWNHE-JKSUJKDBSA-N 1 0 288.391 1.756 40 0 CDABRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000237414044 189875547 /nfs/dbraw/zinc/87/55/47/189875547.db2.gz VUDUCYRUMQPPRO-RYUDHWBXSA-N 1 0 280.343 1.790 40 0 CDABRO CC(C)[NH2+]C[C@H](O)c1ccc(Br)cn1 ZINC000130121067 374044119 /nfs/dbraw/zinc/04/41/19/374044119.db2.gz FOVOGJOPZITAFM-JTQLQIEISA-N 1 0 259.147 1.876 40 0 CDABRO CC[NH+](CC)CCCN(C)c1ncnc(N)c1Cl ZINC000225478729 374484088 /nfs/dbraw/zinc/48/40/88/374484088.db2.gz KUSATKPPLSFHQY-UHFFFAOYSA-N 1 0 271.796 1.880 40 0 CDABRO C[C@H]1CC[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC000225547819 375163331 /nfs/dbraw/zinc/16/33/31/375163331.db2.gz YKKISIMIPRCSNO-IUCAKERBSA-N 1 0 273.270 1.606 40 0 CDABRO COC(=O)[C@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000163013277 375583613 /nfs/dbraw/zinc/58/36/13/375583613.db2.gz NQIJXBNGELNCOI-LBPRGKRZSA-N 1 0 254.374 1.498 40 0 CDABRO Cc1nn(C2CCCC2)cc1C[NH2+]CCN(C)C ZINC000256050855 190003100 /nfs/dbraw/zinc/00/31/00/190003100.db2.gz GSSZYQKOADIBCL-UHFFFAOYSA-N 1 0 250.390 1.958 40 0 CDABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[NH2+]C1 ZINC000257216688 190013947 /nfs/dbraw/zinc/01/39/47/190013947.db2.gz CVRLCGLFHZJVIC-MRXNPFEDSA-N 1 0 285.347 1.610 40 0 CDABRO Cn1cncc1C[N@@H+]1CCOC[C@H](Cc2cccnc2)C1 ZINC000257223195 190015057 /nfs/dbraw/zinc/01/50/57/190015057.db2.gz DWHWNPIVEMAUER-OAHLLOKOSA-N 1 0 286.379 1.506 40 0 CDABRO CCCn1ccc(C(=O)N2CC[C@H]3[NH2+]CCCC[C@@H]3C2)n1 ZINC000257255016 190020928 /nfs/dbraw/zinc/02/09/28/190020928.db2.gz KFTCPATYXZORCL-ZIAGYGMSSA-N 1 0 290.411 1.897 40 0 CDABRO Cn1ccnc1-c1cncc(C[C@H]2CCC[NH2+]C2)n1 ZINC000257270378 190023733 /nfs/dbraw/zinc/02/37/33/190023733.db2.gz MTZUYFYTCSMVMS-LLVKDONJSA-N 1 0 257.341 1.419 40 0 CDABRO O=C(c1cccnn1)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257253043 190020996 /nfs/dbraw/zinc/02/09/96/190020996.db2.gz JXJLZBWTJNWHJZ-YPMHNXCESA-N 1 0 260.341 1.223 40 0 CDABRO Cc1c[nH]c([C@H]2CCCN(C(=O)C3CC[NH2+]CC3)C2)n1 ZINC000257267499 190022801 /nfs/dbraw/zinc/02/28/01/190022801.db2.gz MHNQJLPNSVGBHJ-ZDUSSCGKSA-N 1 0 276.384 1.424 40 0 CDABRO CCc1nc(C)c(C[NH+]2CCC3(CC2)OCCC[C@H]3O)[nH]1 ZINC000257280998 190026634 /nfs/dbraw/zinc/02/66/34/190026634.db2.gz ONGDGZRCHGUCHP-CQSZACIVSA-N 1 0 293.411 1.786 40 0 CDABRO CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)[C@@H]1CCCO1 ZINC000133667404 375809976 /nfs/dbraw/zinc/80/99/76/375809976.db2.gz XYHPBYKTNMMLEK-WUCCLRPBSA-N 1 0 268.401 1.981 40 0 CDABRO CNc1cc([C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)ccn1 ZINC000257305630 190031534 /nfs/dbraw/zinc/03/15/34/190031534.db2.gz SQVLUYNQUQHMKC-CYBMUJFWSA-N 1 0 276.384 1.391 40 0 CDABRO Cc1cncc([C@H]2CCC[N@@H+]2CC2(O)CCOCC2)n1 ZINC000257293469 190028228 /nfs/dbraw/zinc/02/82/28/190028228.db2.gz QPNRYZFYPDDEMP-CQSZACIVSA-N 1 0 277.368 1.463 40 0 CDABRO CC1CCN(C(=O)c2cnc([C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000257311327 190031888 /nfs/dbraw/zinc/03/18/88/190031888.db2.gz UIYRXYRBBWYJRQ-LBPRGKRZSA-N 1 0 274.368 1.773 40 0 CDABRO Cn1nccc1-c1cncc(C[C@H]2CCC[N@H+](C)C2)n1 ZINC000257317706 190032485 /nfs/dbraw/zinc/03/24/85/190032485.db2.gz VKVLPGJQNFBMRY-GFCCVEGCSA-N 1 0 271.368 1.761 40 0 CDABRO Cc1nc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)co1 ZINC000257316018 190032550 /nfs/dbraw/zinc/03/25/50/190032550.db2.gz VDTYDXIZBYVPNP-MGPQQGTHSA-N 1 0 293.367 1.043 40 0 CDABRO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257328606 190034712 /nfs/dbraw/zinc/03/47/12/190034712.db2.gz XGKFOGOBGFJWJK-ZDUSSCGKSA-N 1 0 259.357 1.831 40 0 CDABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cncnc1)C2 ZINC000257337785 190036631 /nfs/dbraw/zinc/03/66/31/190036631.db2.gz YUIVLLKGDFPUEQ-AYDFFVQHSA-N 1 0 286.379 1.564 40 0 CDABRO O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2CCCC[NH2+][C@@H]2C1 ZINC000257338443 190036724 /nfs/dbraw/zinc/03/67/24/190036724.db2.gz YXKRVTNEEFTRPI-SMDDNHRTSA-N 1 0 298.383 1.588 40 0 CDABRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1CCC(F)(F)C1 ZINC000331307052 376911532 /nfs/dbraw/zinc/91/15/32/376911532.db2.gz GGYBGZJRKJKPAE-VXGBXAGGSA-N 1 0 290.354 1.385 40 0 CDABRO O=C(c1cccc(=O)[nH]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257264335 296254205 /nfs/dbraw/zinc/25/42/05/296254205.db2.gz LTYLXQOIYNBSRD-AWEZNQCLSA-N 1 0 283.331 1.574 40 0 CDABRO O=C1NCC2(CC[NH+](CCc3cccc(O)c3)CC2)O1 ZINC000065742892 184569315 /nfs/dbraw/zinc/56/93/15/184569315.db2.gz MLTTZGCVKGAGRL-UHFFFAOYSA-N 1 0 276.336 1.509 40 0 in-vitro CDABRO Cc1nc(CN2C[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C2=O)cs1 ZINC000096245095 256831250 /nfs/dbraw/zinc/83/12/50/256831250.db2.gz IUQGQKAEKWVMFM-AAEUAGOBSA-N 1 0 279.409 1.750 40 0 CDABRO COCC[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1ncccn1 ZINC000096249018 256834409 /nfs/dbraw/zinc/83/44/09/256834409.db2.gz ABFHHAIAUQFXFK-RRFJBIMHSA-N 1 0 290.411 1.883 40 0 CDABRO CN1C(=O)C(c2ccc(F)cc2)=N[C@@]12CCC[NH2+]C2 ZINC000096516442 390534249 /nfs/dbraw/zinc/53/42/49/390534249.db2.gz SUBVPEQORWRIDO-AWEZNQCLSA-N 1 0 261.300 1.167 40 0 CDABRO O=C(Nc1ccccc1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000072208471 390617273 /nfs/dbraw/zinc/61/72/73/390617273.db2.gz PJYHHMYRHZBZFV-LBPRGKRZSA-N 1 0 271.324 1.455 40 0 CDABRO Cc1cc(N2CCOCC2)ncc1[C@H]1CCC[N@H+]1C ZINC000072219386 390623179 /nfs/dbraw/zinc/62/31/79/390623179.db2.gz TYMFWOZFOGWORG-CQSZACIVSA-N 1 0 261.369 1.993 40 0 CDABRO Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1[C@H](C)O ZINC000072224751 390624684 /nfs/dbraw/zinc/62/46/84/390624684.db2.gz PTXDVBJMZHVSKF-ZDUSSCGKSA-N 1 0 263.385 1.974 40 0 CDABRO CN(C)C(=O)CCc1cccc([C@H]2CCC[N@@H+]2C)n1 ZINC000072382833 390627912 /nfs/dbraw/zinc/62/79/12/390627912.db2.gz PEVVCNZKFSDSSE-CQSZACIVSA-N 1 0 261.369 1.869 40 0 CDABRO CC[C@](C)(O)C[NH2+][C@H]1[C@H](O)[C@]2(C)CC[C@H]1C2(C)C ZINC000245239331 391344795 /nfs/dbraw/zinc/34/47/95/391344795.db2.gz HVDIZGMTRLRDBQ-MUGBGTHKSA-N 1 0 255.402 1.923 40 0 CDABRO CC[NH+](CC)C[C@H]1CN(c2ncccn2)Cc2ccnn21 ZINC000306134814 392106013 /nfs/dbraw/zinc/10/60/13/392106013.db2.gz NYQNUOABWBXNBK-AWEZNQCLSA-N 1 0 286.383 1.576 40 0 CDABRO COc1cc([C@@H]2CN(C)C[C@@H]2[NH3+])cc(OC)c1OC ZINC000217662920 130762730 /nfs/dbraw/zinc/76/27/30/130762730.db2.gz FXPFWVISNUDSLX-QWRGUYRKSA-N 1 0 266.341 1.069 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](C[NH3+])[C@@H]1c1ccc(C)cc1 ZINC000218508326 130768987 /nfs/dbraw/zinc/76/89/87/130768987.db2.gz DGAWDQKYHGEZIB-AVGNSLFASA-N 1 0 253.367 1.470 40 0 CDABRO COC(=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000090513240 135063358 /nfs/dbraw/zinc/06/33/58/135063358.db2.gz JHEHFNAMXOTYMO-UHFFFAOYSA-N 1 0 252.289 1.364 40 0 CDABRO NC(=O)[C@@H](O[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000217520775 397606565 /nfs/dbraw/zinc/60/65/65/397606565.db2.gz ZUKXEVOLGLXVLK-RYUDHWBXSA-N 1 0 268.744 1.635 40 0 CDABRO C[N@@H+]1CCCCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096078146 398070331 /nfs/dbraw/zinc/07/03/31/398070331.db2.gz FJFIMJRGXRHIEV-UHFFFAOYSA-N 1 0 272.414 1.429 40 0 CDABRO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccnc1 ZINC000174520671 147946791 /nfs/dbraw/zinc/94/67/91/147946791.db2.gz BSHIXJITHRYPSC-UKRRQHHQSA-N 1 0 273.380 1.882 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040464151 286672298 /nfs/dbraw/zinc/67/22/98/286672298.db2.gz XTCINDDCXBWSAW-BDAKNGLRSA-N 1 0 284.347 1.868 40 0 CDABRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCO)o2)cc1 ZINC000007538795 170290276 /nfs/dbraw/zinc/29/02/76/170290276.db2.gz OWOUXKDPQMLESA-UHFFFAOYSA-N 1 0 275.304 1.815 40 0 CDABRO CCOc1ccc(C[NH2+]C[C@H](C)O)cc1OCC ZINC000008324897 170331540 /nfs/dbraw/zinc/33/15/40/170331540.db2.gz JNOLGWYXRSMQTC-NSHDSACASA-N 1 0 253.342 1.954 40 0 CDABRO CCCCOC(=O)c1ccc(NC(=O)CC[NH3+])cc1 ZINC000008732992 170351437 /nfs/dbraw/zinc/35/14/37/170351437.db2.gz UFASLNJDJDHSPV-UHFFFAOYSA-N 1 0 264.325 1.931 40 0 CDABRO CC(C)c1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000010017347 170395200 /nfs/dbraw/zinc/39/52/00/170395200.db2.gz DQHBERQPTYWCCI-UHFFFAOYSA-N 1 0 291.395 1.816 40 0 CDABRO O=c1cc(-c2ccncc2)nc([C@H]2CCC[NH2+]C2)[nH]1 ZINC000019405554 170786518 /nfs/dbraw/zinc/78/65/18/170786518.db2.gz KBNXBPIHYRJYKI-NSHDSACASA-N 1 0 256.309 1.299 40 0 CDABRO CC[NH+]1CCN(CCOc2ccc(C=O)cc2OC)CC1 ZINC000020131559 171020213 /nfs/dbraw/zinc/02/02/13/171020213.db2.gz RRYDWIGFFWCRAM-UHFFFAOYSA-N 1 0 292.379 1.524 40 0 CDABRO COc1cc(C[NH2+]Cc2cn(C)nc2C)ccc1O ZINC000020352610 171156904 /nfs/dbraw/zinc/15/69/04/171156904.db2.gz AHKWMFDJYDEBFH-UHFFFAOYSA-N 1 0 261.325 1.733 40 0 CDABRO CCOc1ccc2ccccc2c1CNCC[NH2+]CCO ZINC000022076125 171352202 /nfs/dbraw/zinc/35/22/02/171352202.db2.gz DTCOAJOCQKECQF-UHFFFAOYSA-N 1 0 288.391 1.910 40 0 CDABRO C[NH+](C)[C@H]1C[C@@H](Cc2cc(CCO)on2)C1(C)C ZINC000072320754 176368562 /nfs/dbraw/zinc/36/85/62/176368562.db2.gz QVHMCDDBMFXNCH-MFKMUULPSA-N 1 0 252.358 1.728 40 0 biogenic,in-vitro CDABRO Cc1cc(CCC(=O)N(C)C)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000072363378 176377746 /nfs/dbraw/zinc/37/77/46/176377746.db2.gz QJCUBAYVDMYBIB-ZDUSSCGKSA-N 1 0 276.384 1.620 40 0 CDABRO Cn1cc(C[NH+]2CCC(c3cnccn3)CC2)cn1 ZINC000072364277 176378634 /nfs/dbraw/zinc/37/86/34/176378634.db2.gz IDNBUALQIGGBEO-UHFFFAOYSA-N 1 0 257.341 1.590 40 0 CDABRO O=C(NCC1CCOCC1)c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072365707 176381010 /nfs/dbraw/zinc/38/10/10/176381010.db2.gz JYVFLHHSCCJHHS-ZDUSSCGKSA-N 1 0 289.379 1.663 40 0 CDABRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000072367949 176382710 /nfs/dbraw/zinc/38/27/10/176382710.db2.gz GKSVRZNGHSEMPP-AWEZNQCLSA-N 1 0 261.369 1.820 40 0 CDABRO COCCN1C(=O)C[C@@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000096199686 265339664 /nfs/dbraw/zinc/33/96/64/265339664.db2.gz PWYMVGGTARXHHO-HNNXBMFYSA-N 1 0 288.391 1.771 40 0 CDABRO O=C(Nc1cccc(F)c1)[C@H]1C[NH2+]CC12CCOCC2 ZINC000096241058 265346055 /nfs/dbraw/zinc/34/60/55/265346055.db2.gz ARXJSUDQSVVMBX-CYBMUJFWSA-N 1 0 278.327 1.780 40 0 CDABRO CN1C(=O)CCC[C@@H]2C[N@@H+](Cc3cncs3)CC[C@H]21 ZINC000257280943 277006334 /nfs/dbraw/zinc/00/63/34/277006334.db2.gz ONALAEQQWXWBCP-DGCLKSJQSA-N 1 0 279.409 1.976 40 0 CDABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000082336482 277052959 /nfs/dbraw/zinc/05/29/59/277052959.db2.gz HBGUELWGTQNRHG-LLVKDONJSA-N 1 0 276.336 1.738 40 0 CDABRO CC[NH+](CC)CCc1nc(-c2ccc(N)cc2)n[nH]1 ZINC000062719469 520711934 /nfs/dbraw/zinc/71/19/34/520711934.db2.gz GEDXRZFOPFIMII-UHFFFAOYSA-N 1 0 259.357 1.938 40 0 CDABRO COc1c2c(cc3c1C[N@H+](C)C[C@H]3OC(C)=O)OCO2 ZINC000034186229 1165736941 /nfs/dbraw/zinc/73/69/41/1165736941.db2.gz LKXAWIFFHGGBRM-GFCCVEGCSA-N 1 0 279.292 1.474 40 0 CDABRO C[N@@H+]1CC[C@H]2CC(=O)Nc3cccnc3OCC[C@H]2C1 ZINC001534646223 969500207 /nfs/dbraw/zinc/50/02/07/969500207.db2.gz DTPHFQFZBQBLEK-RYUDHWBXSA-N 1 0 275.352 1.761 40 0 CDABRO CCOc1ccc(-c2nnc([C@H](C)[NH3+])[nH]2)cc1OC ZINC000095534691 185005889 /nfs/dbraw/zinc/00/58/89/185005889.db2.gz FJTCAMXUQQWKAG-QMMMGPOBSA-N 1 0 262.313 1.899 40 0 CDABRO Cn1cc2c(n1)[C@H](C[NH2+]CC1CCOCC1)OCC2 ZINC000096059690 185081078 /nfs/dbraw/zinc/08/10/78/185081078.db2.gz GHDBQYZVMGPZBI-ZDUSSCGKSA-N 1 0 265.357 1.050 40 0 CDABRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](CC1CC1)CC2 ZINC000096061411 185083059 /nfs/dbraw/zinc/08/30/59/185083059.db2.gz XLOZVTJQLPURBF-OAHLLOKOSA-N 1 0 285.391 1.930 40 0 CDABRO Cc1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)o1 ZINC000096062124 185083208 /nfs/dbraw/zinc/08/32/08/185083208.db2.gz QKWIUYFALFFMEM-UHFFFAOYSA-N 1 0 264.325 1.069 40 0 CDABRO c1cncc(CN2C[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096063645 185084338 /nfs/dbraw/zinc/08/43/38/185084338.db2.gz REZKSSXBEYUUCD-IYBDPMFKSA-N 1 0 287.407 1.624 40 0 CDABRO COCC[N@@H+]1CC[C@@H]2CN(Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096081397 185091440 /nfs/dbraw/zinc/09/14/40/185091440.db2.gz WPLPMEFUFKOSIO-CVEARBPZSA-N 1 0 289.423 1.790 40 0 CDABRO C[C@@H]1C(=O)NC[C@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]21 ZINC000096100081 185097584 /nfs/dbraw/zinc/09/75/84/185097584.db2.gz GDCDFWMXQOTJBL-BPUTZDHNSA-N 1 0 288.391 1.517 40 0 CDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2ccco2)C1 ZINC000096059184 282141523 /nfs/dbraw/zinc/14/15/23/282141523.db2.gz CYRZPFXQZHNPMZ-LBPRGKRZSA-N 1 0 288.351 1.310 40 0 CDABRO CC[C@@H](C)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170336129 361867378 /nfs/dbraw/zinc/86/73/78/361867378.db2.gz POYNRNIHFMILKI-SNVBAGLBSA-N 1 0 283.416 1.327 40 0 CDABRO CCOC[C@H]1C[N@H+](C)C2(CN(Cc3cc(C)n[nH]3)C2)C1 ZINC000585093786 342211441 /nfs/dbraw/zinc/21/14/41/342211441.db2.gz GAEXAZQIRSZKHK-CYBMUJFWSA-N 1 0 278.400 1.261 40 0 CDABRO CNC(=O)C1=NO[C@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC000585101309 342212366 /nfs/dbraw/zinc/21/23/66/342212366.db2.gz XGVHRRYUXMAHHM-AWEZNQCLSA-N 1 0 267.373 1.389 40 0 CDABRO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)CC(C)C)C2)C1 ZINC000585103496 342212765 /nfs/dbraw/zinc/21/27/65/342212765.db2.gz XKCGQSMDFNEAQW-AWEZNQCLSA-N 1 0 282.428 1.992 40 0 CDABRO CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1)C2 ZINC000585104455 342212931 /nfs/dbraw/zinc/21/29/31/342212931.db2.gz NLYTUGOKDGZWFN-INIZCTEOSA-N 1 0 274.364 1.367 40 0 CDABRO CC(=O)N1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000585112575 342213632 /nfs/dbraw/zinc/21/36/32/342213632.db2.gz TUSRABMBRBXZEG-CQSZACIVSA-N 1 0 262.357 1.272 40 0 CDABRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H](O)CC1CCCC1 ZINC000332939355 539050264 /nfs/dbraw/zinc/05/02/64/539050264.db2.gz JIOGUHRGESVFDD-RDBSUJKOSA-N 1 0 266.385 1.281 40 0 CDABRO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCOCC1 ZINC000585284433 342258583 /nfs/dbraw/zinc/25/85/83/342258583.db2.gz SDIHZQQKRDPDSY-GJZGRUSLSA-N 1 0 296.411 1.003 40 0 CDABRO COCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccco3)CC[C@H]21 ZINC000247840093 362135524 /nfs/dbraw/zinc/13/55/24/362135524.db2.gz KOUAPVKUYYGZHZ-QWHCGFSZSA-N 1 0 278.352 1.462 40 0 CDABRO C[N@H+]1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000248146411 362154437 /nfs/dbraw/zinc/15/44/37/362154437.db2.gz RWSNTIHRLMNBIJ-CYBMUJFWSA-N 1 0 290.392 1.290 40 0 CDABRO C[C@H](C[C@H]1CCCO1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000215648631 342439213 /nfs/dbraw/zinc/43/92/13/342439213.db2.gz MDMCCWVAJOFMJF-MGPQQGTHSA-N 1 0 283.416 1.537 40 0 CDABRO CC(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000049706881 346356693 /nfs/dbraw/zinc/35/66/93/346356693.db2.gz UMKHJBUHGGCRGL-UHFFFAOYSA-N 1 0 257.337 1.832 40 0 CDABRO COc1ccc(OC)c(-n2ncc3c2nc[nH+]c3NN)c1 ZINC000085398056 179050290 /nfs/dbraw/zinc/05/02/90/179050290.db2.gz WBKHMVFIIPWEIG-UHFFFAOYSA-N 1 0 286.295 1.118 40 0 CDABRO CC(C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000143850412 348725320 /nfs/dbraw/zinc/72/53/20/348725320.db2.gz HPIPZPWZIAEUOB-MNOVXSKESA-N 1 0 258.362 1.212 40 0 CDABRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)[S@](C)=O)CC2 ZINC000090843039 180044768 /nfs/dbraw/zinc/04/47/68/180044768.db2.gz AILYWZGCDXMZSV-CILWKZBWSA-N 1 0 281.421 1.909 40 0 CDABRO CCN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000107198268 186162667 /nfs/dbraw/zinc/16/26/67/186162667.db2.gz AVVLUNUVVMBFJA-QWHCGFSZSA-N 1 0 288.347 1.610 40 0 CDABRO O=C(C[C@H]1[C@H]2C[N@@H+](CC3CC3)C[C@@H]12)Nc1cccnc1 ZINC000107746025 186189113 /nfs/dbraw/zinc/18/91/13/186189113.db2.gz WYMSLIBPHMTSED-QDMKHBRRSA-N 1 0 271.364 1.998 40 0 CDABRO CCN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C)n1 ZINC000107799898 186191873 /nfs/dbraw/zinc/19/18/73/186191873.db2.gz MXOBEFGLJUQCRZ-KBPBESRZSA-N 1 0 259.353 1.585 40 0 CDABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000108530012 186222101 /nfs/dbraw/zinc/22/21/01/186222101.db2.gz CJJZFCXGSMEJIR-GDBMZVCRSA-N 1 0 273.380 1.820 40 0 CDABRO O=C1CC2(CN1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC000108534569 186222511 /nfs/dbraw/zinc/22/25/11/186222511.db2.gz FIJURJVOWZONFE-UHFFFAOYSA-N 1 0 286.375 1.724 40 0 CDABRO COc1ccc(SCC(=O)NCCC[NH+](C)C)cc1 ZINC000020104679 356526179 /nfs/dbraw/zinc/52/61/79/356526179.db2.gz KGYMGPLEEQUZJV-UHFFFAOYSA-N 1 0 282.409 1.855 40 0 CDABRO CCCCC1(CC[NH2+]CC)C(=O)NC(=O)NC1=O ZINC000031659431 356767686 /nfs/dbraw/zinc/76/76/86/356767686.db2.gz DLVSGJPUQIFLEG-UHFFFAOYSA-N 1 0 255.318 1.369 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000040833700 356874134 /nfs/dbraw/zinc/87/41/34/356874134.db2.gz KICCXACORHAAQH-RISCZKNCSA-N 1 0 278.352 1.268 40 0 CDABRO CN(C(=O)OCc1ccccc1)C1CCN(CC[NH3+])CC1 ZINC000079411489 356993484 /nfs/dbraw/zinc/99/34/84/356993484.db2.gz ATJDFOWATLCKHZ-UHFFFAOYSA-N 1 0 291.395 1.678 40 0 CDABRO CC(C)[N@H+](CCO)Cc1cccc2c1OCCO2 ZINC000079421372 356996266 /nfs/dbraw/zinc/99/62/66/356996266.db2.gz CKMIDFCXROKNGF-UHFFFAOYSA-N 1 0 251.326 1.661 40 0 CDABRO c1nc(N2CCOCC2)cnc1C[C@@H]1CCC[NH2+]CC1 ZINC000072386600 357832009 /nfs/dbraw/zinc/83/20/09/357832009.db2.gz UCFUZJMSOXNAPM-CYBMUJFWSA-N 1 0 276.384 1.245 40 0 CDABRO C[N@@H+]1C[C@H](CO)CC12CN(C(=O)c1cc(F)cc(F)c1)C2 ZINC000585093949 358098790 /nfs/dbraw/zinc/09/87/90/358098790.db2.gz RRDQIZTZQICJOY-SNVBAGLBSA-N 1 0 296.317 1.103 40 0 CDABRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000228963280 358104798 /nfs/dbraw/zinc/10/47/98/358104798.db2.gz KTLDKNRZXAAJQR-GFCCVEGCSA-N 1 0 279.336 1.699 40 0 CDABRO O=c1cc2c(nn1Cc1cccc(F)c1)CC[NH2+]C2 ZINC000063169727 358569666 /nfs/dbraw/zinc/56/96/66/358569666.db2.gz NBURKWXGZJDTAU-UHFFFAOYSA-N 1 0 259.284 1.076 40 0 CDABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)C1CCOCC1 ZINC000096055794 358707220 /nfs/dbraw/zinc/70/72/20/358707220.db2.gz LHYMIACIDNSJPU-LSDHHAIUSA-N 1 0 280.412 1.744 40 0 CDABRO O=C(C1CC=CC1)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161642 358711117 /nfs/dbraw/zinc/71/11/17/358711117.db2.gz ORKDBDBIKUFWMU-IYBDPMFKSA-N 1 0 297.402 1.938 40 0 CDABRO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccncc2)s1 ZINC000096184883 358713766 /nfs/dbraw/zinc/71/37/66/358713766.db2.gz NRXLMQYSGUEQSV-OLZOCXBDSA-N 1 0 287.392 1.786 40 0 CDABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccncc1 ZINC000096186230 358714203 /nfs/dbraw/zinc/71/42/03/358714203.db2.gz NNEINVYXGQOLNC-HUUCEWRRSA-N 1 0 289.379 1.293 40 0 CDABRO Cc1nnn2c1COC[C@H](C[NH2+]Cc1ccsc1)C2 ZINC000096199308 358717350 /nfs/dbraw/zinc/71/73/50/358717350.db2.gz YLZHLCKTTWEUJA-GFCCVEGCSA-N 1 0 278.381 1.584 40 0 CDABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 ZINC000096199819 358717454 /nfs/dbraw/zinc/71/74/54/358717454.db2.gz MPSWKADNLJOOQF-AWEZNQCLSA-N 1 0 290.411 1.514 40 0 CDABRO c1cnc(N2CC[C@]3(C2)C[C@@H]([NH+]2CCCC2)CCO3)nc1 ZINC000096208152 358720540 /nfs/dbraw/zinc/72/05/40/358720540.db2.gz GNJRWELSRSGPHA-GOEBONIOSA-N 1 0 288.395 1.700 40 0 CDABRO COCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1=O ZINC000096244994 358724578 /nfs/dbraw/zinc/72/45/78/358724578.db2.gz CERGVXXYIIVWCP-GJZGRUSLSA-N 1 0 274.364 1.223 40 0 CDABRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH2+]CC2 ZINC000096240373 358724978 /nfs/dbraw/zinc/72/49/78/358724978.db2.gz WGRLDUCFXPMCKP-LBPRGKRZSA-N 1 0 262.357 1.072 40 0 CDABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CCO)C[C@H]12 ZINC000096251879 358727999 /nfs/dbraw/zinc/72/79/99/358727999.db2.gz XMCNVKJEWLXUPV-DLBZAZTESA-N 1 0 288.391 1.243 40 0 CDABRO [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1COc2ccccc2O1 ZINC000044542026 283457047 /nfs/dbraw/zinc/45/70/47/283457047.db2.gz ZHMYTRDVDJXFBO-SMDDNHRTSA-N 1 0 276.336 1.166 40 0 CDABRO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc(Cl)nc1 ZINC000072631555 361079220 /nfs/dbraw/zinc/07/92/20/361079220.db2.gz CDAGOZHSTXQMNN-UHFFFAOYSA-N 1 0 255.749 1.691 40 0 CDABRO O=C(CCc1cn[nH]c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000630016780 364429857 /nfs/dbraw/zinc/42/98/57/364429857.db2.gz KFLMTFHJHXYKCV-CQSZACIVSA-N 1 0 290.411 1.866 40 0 CDABRO CC[C@@H](c1ccccc1)[NH+]1CCN(CCC(=O)NC)CC1 ZINC000075862764 366906664 /nfs/dbraw/zinc/90/66/64/366906664.db2.gz JHNFSKAJUBXRCW-INIZCTEOSA-N 1 0 289.423 1.891 40 0 CDABRO CCn1ncc2c1C[NH2+]C[C@@H]2COc1cccnc1 ZINC000306130966 367315022 /nfs/dbraw/zinc/31/50/22/367315022.db2.gz JTPPUVMYCSWGPH-LLVKDONJSA-N 1 0 258.325 1.564 40 0 CDABRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000026478754 370638712 /nfs/dbraw/zinc/63/87/12/370638712.db2.gz MSHMFIFMOKUPHN-UHFFFAOYSA-N 1 0 293.754 1.514 40 0 CDABRO Cc1cccc(-c2nnc(CN3CC[NH2+]CC3)[nH]2)c1 ZINC000064875455 374240185 /nfs/dbraw/zinc/24/01/85/374240185.db2.gz QNOYZKVRWUPATD-UHFFFAOYSA-N 1 0 257.341 1.185 40 0 CDABRO COc1cc(NC[C@@H]2CCC[NH2+]2)nc(SC)n1 ZINC000079439922 374405272 /nfs/dbraw/zinc/40/52/72/374405272.db2.gz GXMNWCGUHSIYTJ-QMMMGPOBSA-N 1 0 254.359 1.371 40 0 CDABRO Cc1nc2c([nH]1)CC[C@H](C(=O)Nc1ccncc1)C2 ZINC000225518069 374648006 /nfs/dbraw/zinc/64/80/06/374648006.db2.gz WUZZMOLXDHVKHM-JTQLQIEISA-N 1 0 256.309 1.857 40 0 CDABRO CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CCOC(C)C ZINC000078923068 374742032 /nfs/dbraw/zinc/74/20/32/374742032.db2.gz CXRBGDSSWJNQEN-CYBMUJFWSA-N 1 0 299.415 1.502 40 0 CDABRO O=C(N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000306129111 374968498 /nfs/dbraw/zinc/96/84/98/374968498.db2.gz HUYPCFCWJAWGEJ-DGCLKSJQSA-N 1 0 266.366 1.389 40 0 CDABRO Cc1ccc(C[N@@H+](CCO)CCN2CCO[C@H](C)C2)o1 ZINC000225724302 375191637 /nfs/dbraw/zinc/19/16/37/375191637.db2.gz LPBKUWKFFXJPCS-CQSZACIVSA-N 1 0 282.384 1.103 40 0 CDABRO C[C@H](NCCC[NH+](C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000230024299 375299178 /nfs/dbraw/zinc/29/91/78/375299178.db2.gz KXJXPBGNJQXIQU-MJBXVCDLSA-N 1 0 269.433 1.421 40 0 CDABRO CCOc1ccccc1[C@@H](C[NH3+])N1CCOCC1 ZINC000019796159 375490034 /nfs/dbraw/zinc/49/00/34/375490034.db2.gz PMYITPIUQZNTRP-CYBMUJFWSA-N 1 0 250.342 1.417 40 0 CDABRO COCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256049776 190002615 /nfs/dbraw/zinc/00/26/15/190002615.db2.gz BJWGQXDPCSMFPQ-UHFFFAOYSA-N 1 0 251.252 1.565 40 0 CDABRO COc1ccc([C@H](CNC(N)=[NH2+])N2CCCCC2)cc1 ZINC000058064523 375650938 /nfs/dbraw/zinc/65/09/38/375650938.db2.gz IXLZUJSSCIHKKZ-AWEZNQCLSA-N 1 0 276.384 1.705 40 0 CDABRO Cc1c(NC(=O)[C@H]2C[NH2+]CCO2)n[nH]c1-c1ccccc1 ZINC000257198093 190010571 /nfs/dbraw/zinc/01/05/71/190010571.db2.gz SLKFSWAWJPWLJR-GFCCVEGCSA-N 1 0 286.335 1.312 40 0 CDABRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](n3ccnc3)CC2)cn1 ZINC000257199899 190010588 /nfs/dbraw/zinc/01/05/88/190010588.db2.gz ABEOXJVZJMZGFB-HOTGVXAUSA-N 1 0 286.379 1.785 40 0 CDABRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1)N1CCCC1 ZINC000257213470 190012914 /nfs/dbraw/zinc/01/29/14/190012914.db2.gz CHSCYKQVYPJYTO-OAHLLOKOSA-N 1 0 273.380 1.255 40 0 CDABRO COc1cc([C@H]2CN(C)C[C@@H]2[NH3+])cc(OC)c1OC ZINC000217662998 375698679 /nfs/dbraw/zinc/69/86/79/375698679.db2.gz FXPFWVISNUDSLX-MNOVXSKESA-N 1 0 266.341 1.069 40 0 CDABRO Cc1nc(C[C@@H]2CCC[N@H+](C)C2)cc(C(=O)N(C)C)n1 ZINC000257237000 190017854 /nfs/dbraw/zinc/01/78/54/190017854.db2.gz HETYUPFYTAFZKH-LBPRGKRZSA-N 1 0 276.384 1.371 40 0 CDABRO Cn1nccc1-c1cccc(C[C@@H]2CC[N@H+](C)C2)n1 ZINC000257245491 190019376 /nfs/dbraw/zinc/01/93/76/190019376.db2.gz IPSLBVMIGPEFTI-LBPRGKRZSA-N 1 0 256.353 1.976 40 0 CDABRO Cc1ocnc1C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257272236 190023813 /nfs/dbraw/zinc/02/38/13/190023813.db2.gz NBOUWBCPVIEFHX-YRGRVCCFSA-N 1 0 293.367 1.091 40 0 CDABRO CCN1CCC([N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)CC1 ZINC000257287538 190027065 /nfs/dbraw/zinc/02/70/65/190027065.db2.gz PQJYONPTTNBLHK-HOTGVXAUSA-N 1 0 282.428 1.741 40 0 CDABRO Cc1ncc(-c2cncc([C@H]3CCC[NH2+]C3)n2)n1C ZINC000257272602 190024871 /nfs/dbraw/zinc/02/48/71/190024871.db2.gz NDAPRUKQENAEQZ-NSHDSACASA-N 1 0 257.341 1.653 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)/C=C/c2ccccc2F)C1 ZINC000257302796 190030537 /nfs/dbraw/zinc/03/05/37/190030537.db2.gz SELRVEDNSBAAST-KXPUMZMLSA-N 1 0 292.354 1.364 40 0 CDABRO COc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000036101352 390480204 /nfs/dbraw/zinc/48/02/04/390480204.db2.gz SVLWYWYUBOCXDQ-BZPMIXESSA-N 1 0 294.395 1.813 40 0 CDABRO CC(C)Oc1ncc([C@@H](C[NH3+])N2CCCCC2)cn1 ZINC000096511160 390530469 /nfs/dbraw/zinc/53/04/69/390530469.db2.gz YAVUVVFAVKLTPI-CYBMUJFWSA-N 1 0 264.373 1.750 40 0 CDABRO CC(C)N1CCO[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000096054287 390912253 /nfs/dbraw/zinc/91/22/53/390912253.db2.gz CIGDLBHNMAXIAX-KGLIPLIRSA-N 1 0 275.352 1.015 40 0 CDABRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CN1CCC(C)CC1 ZINC000096424714 391190322 /nfs/dbraw/zinc/19/03/22/391190322.db2.gz VOJUROBBYILNPW-IXDOHACOSA-N 1 0 298.471 1.705 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000242620180 391943539 /nfs/dbraw/zinc/94/35/39/391943539.db2.gz PWSMPRDFWBEELT-IJLUTSLNSA-N 1 0 273.785 1.815 40 0 CDABRO O[C@H](C[NH2+]C1CCCC1)COc1ccc2c(c1)OCO2 ZINC000002701431 169821203 /nfs/dbraw/zinc/82/12/03/169821203.db2.gz MNTPKYKEAHYWDQ-GFCCVEGCSA-N 1 0 279.336 1.687 40 0 CDABRO CCn1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(C)n1 ZINC000072397554 176394825 /nfs/dbraw/zinc/39/48/25/176394825.db2.gz INJWRBVZHZPBNK-DOMZBBRYSA-N 1 0 262.401 1.880 40 0 CDABRO CC[N@@H+]1CCc2nc(NC[C@@H]3CCCO3)ncc2C1 ZINC000072415045 176399300 /nfs/dbraw/zinc/39/93/00/176399300.db2.gz FCNIFPRVILNZLP-LBPRGKRZSA-N 1 0 262.357 1.446 40 0 CDABRO CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@H+](C)C1 ZINC000257322593 262746011 /nfs/dbraw/zinc/74/60/11/262746011.db2.gz WGPUJYJHJUBJSH-SECBINFHSA-N 1 0 290.392 1.812 40 0 CDABRO O=C(Nc1cccc(F)c1)[C@@H]1C[NH2+]CC12CCOCC2 ZINC000096241057 265345781 /nfs/dbraw/zinc/34/57/81/265345781.db2.gz ARXJSUDQSVVMBX-ZDUSSCGKSA-N 1 0 278.327 1.780 40 0 CDABRO Cc1cn(C)c([C@H]2CN(C3CC[NH+](C)CC3)CCO2)n1 ZINC000257327619 274822980 /nfs/dbraw/zinc/82/29/80/274822980.db2.gz XCBANDSTHPJNOF-CQSZACIVSA-N 1 0 278.400 1.196 40 0 CDABRO CCN(C)c1ncnc2c1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096084083 276078890 /nfs/dbraw/zinc/07/88/90/276078890.db2.gz XQZBOQWPRCJGIQ-ZDUSSCGKSA-N 1 0 290.411 1.370 40 0 CDABRO CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CC[NH3+] ZINC000079408315 278431871 /nfs/dbraw/zinc/43/18/71/278431871.db2.gz ZCZXZELMPGESOL-NSHDSACASA-N 1 0 257.378 1.324 40 0 CDABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](C1CCC1)C2 ZINC000225493729 281137035 /nfs/dbraw/zinc/13/70/35/281137035.db2.gz URFCTOLFWWXTCX-HNNXBMFYSA-N 1 0 275.396 1.945 40 0 biogenic,in-vitro CDABRO CN(C)C(=O)N1CCC2(C[C@@H]([NH+]3CCCC3)CO2)CC1 ZINC000096047963 288977293 /nfs/dbraw/zinc/97/72/93/288977293.db2.gz VQJDDJKSDHBFTI-CYBMUJFWSA-N 1 0 281.400 1.387 40 0 CDABRO [NH2+]=C1Nc2nc3c(n2[C@H](c2ccccc2)N1)CCC3 ZINC000040175503 295210554 /nfs/dbraw/zinc/21/05/54/295210554.db2.gz FNEORSLASDQVCQ-GFCCVEGCSA-N 1 0 253.309 1.468 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1CCOC2(CCCC2)C1 ZINC000157541941 323212839 /nfs/dbraw/zinc/21/28/39/323212839.db2.gz MGOMLAYRMWRZHZ-NSHDSACASA-N 1 0 272.414 1.238 40 0 CDABRO CCOCCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019482769 521711108 /nfs/dbraw/zinc/71/11/08/521711108.db2.gz OWFUZIYJXLRVAY-CYBMUJFWSA-N 1 0 250.342 1.619 40 0 CDABRO C[C@]1([NH2+]C[C@@H]2CCC(=O)N2)CCOc2ccccc21 ZINC000933370490 617403112 /nfs/dbraw/zinc/40/31/12/617403112.db2.gz LUVRALQCQKMPKI-NHYWBVRUSA-N 1 0 260.337 1.553 40 0 CDABRO Cc1ncncc1[C@@H](C)[NH2+]CCN1CCCOCC1 ZINC000903226914 625908803 /nfs/dbraw/zinc/90/88/03/625908803.db2.gz JBGUNBADBADDOL-GFCCVEGCSA-N 1 0 264.373 1.158 40 0 CDABRO Cc1ncncc1[C@H](C)[NH2+]CCN1CCCOCC1 ZINC000903226915 625909815 /nfs/dbraw/zinc/90/98/15/625909815.db2.gz JBGUNBADBADDOL-LBPRGKRZSA-N 1 0 264.373 1.158 40 0 CDABRO COc1cc(N[C@@H](C)C[C@@H]2COCC[NH2+]2)cc(OC)c1 ZINC000133343119 737601516 /nfs/dbraw/zinc/60/15/16/737601516.db2.gz YDPUHAPWLCWAIY-WCQYABFASA-N 1 0 280.368 1.883 40 0 CDABRO CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000096057362 185077800 /nfs/dbraw/zinc/07/78/00/185077800.db2.gz BVCLOKHQUOFFLQ-UPJWGTAASA-N 1 0 264.325 1.148 40 0 CDABRO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)O1 ZINC000096057473 185078253 /nfs/dbraw/zinc/07/82/53/185078253.db2.gz XEIAIGHLMWPMGV-RBSFLKMASA-N 1 0 289.379 1.292 40 0 CDABRO C[N@@H+]1CCCN(C(=O)c2ccc(-c3cncnc3)nc2)CC1 ZINC000064542310 361811255 /nfs/dbraw/zinc/81/12/55/361811255.db2.gz OLJXSZJVOCNGLH-UHFFFAOYSA-N 1 0 297.362 1.316 40 0 CDABRO CCCCC[NH+]1C[C@H]2CN(C(=O)CCC(=O)OC)C[C@@H]2C1 ZINC000096080935 185091154 /nfs/dbraw/zinc/09/11/54/185091154.db2.gz YLIGBGOIVQTRPB-KBPBESRZSA-N 1 0 296.411 1.520 40 0 CDABRO C[NH+](C)C[C@]12COC[C@H]1CN(Cc1ccccc1F)C2 ZINC000096108258 185099776 /nfs/dbraw/zinc/09/97/76/185099776.db2.gz MLOJBLMRMPZUDB-ZBFHGGJFSA-N 1 0 278.371 1.836 40 0 CDABRO COC[C@]12COC[C@H]1C[N@H+](Cc1cccc(C)n1)C2 ZINC000096108625 185100395 /nfs/dbraw/zinc/10/03/95/185100395.db2.gz GHAWKJWQSFZKIP-UKRRQHHQSA-N 1 0 262.353 1.485 40 0 CDABRO CCOC[C@H]1C[N@H+](C)C2(CN(C(=O)c3ccncc3)C2)C1 ZINC000585093792 342211305 /nfs/dbraw/zinc/21/13/05/342211305.db2.gz GFFFENYKUBYTGP-CYBMUJFWSA-N 1 0 289.379 1.264 40 0 CDABRO COCc1nnc2n1CCN(Cc1cccnc1)[C@@H]2C ZINC000585097017 342211845 /nfs/dbraw/zinc/21/18/45/342211845.db2.gz DVWIOIHTIHGAHV-LLVKDONJSA-N 1 0 273.340 1.396 40 0 CDABRO COCc1nnc2n1CCN(CC1=CCCOC1)[C@@H]2C ZINC000585097232 342211858 /nfs/dbraw/zinc/21/18/58/342211858.db2.gz IUTPIRPPMLXKIY-LLVKDONJSA-N 1 0 278.356 1.148 40 0 CDABRO CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1)C2 ZINC000585104457 342212891 /nfs/dbraw/zinc/21/28/91/342212891.db2.gz NLYTUGOKDGZWFN-MRXNPFEDSA-N 1 0 274.364 1.367 40 0 CDABRO Cc1n[nH]cc1-c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000585180214 342232559 /nfs/dbraw/zinc/23/25/59/342232559.db2.gz FZARQOQNABVXTP-LLVKDONJSA-N 1 0 257.341 1.984 40 0 CDABRO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCC[NH2+]C2)n1 ZINC000585178759 342232581 /nfs/dbraw/zinc/23/25/81/342232581.db2.gz IDYBHMLRVALPGP-AWEZNQCLSA-N 1 0 262.357 1.128 40 0 CDABRO CO[C@@H]1CC[N@H+](CCC(N)=O)C[C@H]1Cc1ccc(C)cc1 ZINC000585275175 342256113 /nfs/dbraw/zinc/25/61/13/342256113.db2.gz YYWYEXVKVYAVSK-HZPDHXFCSA-N 1 0 290.407 1.750 40 0 CDABRO CC1CCC([NH+]2CCN(CCOC(=O)N(C)C)CC2)CC1 ZINC000158584210 342291611 /nfs/dbraw/zinc/29/16/11/342291611.db2.gz WQOGLOYQFJXMKV-UHFFFAOYSA-N 1 0 297.443 1.881 40 0 CDABRO C[NH+]1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000247721593 362127987 /nfs/dbraw/zinc/12/79/87/362127987.db2.gz AZRZBGHFEVZOHW-GFCCVEGCSA-N 1 0 250.367 1.788 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(OC)cc2)[C@H]1C[NH3+] ZINC000218085710 362198512 /nfs/dbraw/zinc/19/85/12/362198512.db2.gz WHOQDXPLWJZSMR-FRRDWIJNSA-N 1 0 269.366 1.171 40 0 CDABRO Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000148888510 136393406 /nfs/dbraw/zinc/39/34/06/136393406.db2.gz RGXJXCLVROWLNL-CQSZACIVSA-N 1 0 286.383 1.277 40 0 CDABRO COCCOC1CN(C(=O)Nc2ccc(C)nc2C)C1 ZINC000332482464 362554753 /nfs/dbraw/zinc/55/47/53/362554753.db2.gz VRKNTXHRHURQAQ-UHFFFAOYSA-N 1 0 279.340 1.578 40 0 CDABRO CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000257197861 362576761 /nfs/dbraw/zinc/57/67/61/362576761.db2.gz LJIZTXJSWYWHGR-LLVKDONJSA-N 1 0 286.383 1.410 40 0 CDABRO Cc1cc(-c2cnc(C3CC[NH+](C)CC3)cn2)n[nH]1 ZINC000257241805 362579615 /nfs/dbraw/zinc/57/96/15/362579615.db2.gz HZQWIKBILOQBJC-UHFFFAOYSA-N 1 0 257.341 1.984 40 0 CDABRO C[NH+](C)C[C@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O ZINC000085435918 179062415 /nfs/dbraw/zinc/06/24/15/179062415.db2.gz WNRVKIANMQWONF-MELADBBJSA-N 1 0 296.411 1.985 40 0 biogenic,in-vitro CDABRO CNC(=O)[C@H]1C[N@H+](Cc2ccsc2)[C@@H]2CCO[C@@H]21 ZINC000108524171 186220436 /nfs/dbraw/zinc/22/04/36/186220436.db2.gz LAWRKNUMIKNFHT-QJPTWQEYSA-N 1 0 266.366 1.083 40 0 CDABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cnc(C)nc1)C2 ZINC000108535582 186221750 /nfs/dbraw/zinc/22/17/50/186221750.db2.gz WLDHZKNCVXTDRC-GDBMZVCRSA-N 1 0 288.395 1.523 40 0 CDABRO CN(C)CC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000158241382 188365517 /nfs/dbraw/zinc/36/55/17/188365517.db2.gz GNSAWOXWFUBNOK-KRWDZBQOSA-N 1 0 289.423 1.719 40 0 CDABRO [NH3+]Cc1cn(-c2ccc(I)cc2)cn1 ZINC000095094117 366116705 /nfs/dbraw/zinc/11/67/05/366116705.db2.gz KFXXLKJIIYCXFB-UHFFFAOYSA-N 1 0 299.115 1.936 40 0 CDABRO NC(=O)c1cnc2n1CCc1ccccc1C21CC[NH2+]CC1 ZINC000000008768 355879314 /nfs/dbraw/zinc/87/93/14/355879314.db2.gz VQWGYPVNVICKFC-UHFFFAOYSA-N 1 0 296.374 1.208 40 0 investigational CDABRO C([C@@H]1CCCCO1)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000019365913 356482851 /nfs/dbraw/zinc/48/28/51/356482851.db2.gz UNSLULGNELHPHQ-HOTGVXAUSA-N 1 0 282.428 1.742 40 0 CDABRO CCCCCC[C@@H](CN1CCOCC1)[NH+]1CCOCC1 ZINC000019204053 356476163 /nfs/dbraw/zinc/47/61/63/356476163.db2.gz RJCKYSSDDBLBMG-INIZCTEOSA-N 1 0 284.444 1.990 40 0 CDABRO Fc1ccc(C2(CCCN3CC[NH2+]CC3)OCCO2)cc1 ZINC000022027812 356597920 /nfs/dbraw/zinc/59/79/20/356597920.db2.gz STZDOTGIRWIQNS-UHFFFAOYSA-N 1 0 294.370 1.711 40 0 CDABRO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415179 356993334 /nfs/dbraw/zinc/99/33/34/356993334.db2.gz BNOOOCKULLHMKA-CQSZACIVSA-N 1 0 261.369 1.068 40 0 CDABRO CSc1nccnc1CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000079435740 356996403 /nfs/dbraw/zinc/99/64/03/356996403.db2.gz FNIBWPZSNNOEFR-LBPRGKRZSA-N 1 0 296.440 1.919 40 0 CDABRO O=CN1CC[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000089212478 358051150 /nfs/dbraw/zinc/05/11/50/358051150.db2.gz NOIYSRSUNGFIKY-NSHDSACASA-N 1 0 269.142 1.552 40 0 CDABRO O=c1cc2c(nn1Cc1ccc(F)cc1)CC[NH2+]C2 ZINC000063169737 358569874 /nfs/dbraw/zinc/56/98/74/358569874.db2.gz RBDHNKSJLLVDSA-UHFFFAOYSA-N 1 0 259.284 1.076 40 0 CDABRO c1nc2c(c([C@H]3CCOC3)n1)CC[N@H+](CC1CC1)CC2 ZINC000096058682 358707255 /nfs/dbraw/zinc/70/72/55/358707255.db2.gz FDAXZDOFNSLEFE-ZDUSSCGKSA-N 1 0 273.380 1.791 40 0 CDABRO c1cnc(N2CC[N@H+]3C[C@H](Oc4cccnc4)C[C@H]3C2)nc1 ZINC000096063764 358707266 /nfs/dbraw/zinc/70/72/66/358707266.db2.gz BVMRHUPKALXXTB-DZGCQCFKSA-N 1 0 297.362 1.214 40 0 CDABRO c1cnc(N2C[C@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)nc1 ZINC000096110661 358708247 /nfs/dbraw/zinc/70/82/47/358708247.db2.gz SYONVFYXOKCHRI-HUUCEWRRSA-N 1 0 281.363 1.440 40 0 CDABRO C[NH+](C)Cc1cncc2c1CCN(C(=O)[C@@H]1CCOC1)C2 ZINC000096189460 358716217 /nfs/dbraw/zinc/71/62/17/358716217.db2.gz CSYQNFUVTWODKY-GFCCVEGCSA-N 1 0 289.379 1.064 40 0 CDABRO Cc1nnn2c1COC[C@@H](C[NH2+]Cc1ccoc1)C2 ZINC000096199305 358717477 /nfs/dbraw/zinc/71/74/77/358717477.db2.gz YGLGQFHHAYSJTE-LBPRGKRZSA-N 1 0 262.313 1.116 40 0 CDABRO COCC[C@H]1COC2(C1)CC[NH+](Cc1cc[nH]n1)CC2 ZINC000096220177 358722350 /nfs/dbraw/zinc/72/23/50/358722350.db2.gz YJBIDHAIHZUJCI-CYBMUJFWSA-N 1 0 279.384 1.817 40 0 CDABRO Cc1nc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)cs1 ZINC000096229364 358723688 /nfs/dbraw/zinc/72/36/88/358723688.db2.gz OWXPHKRNIQZPAY-AWEZNQCLSA-N 1 0 281.425 1.654 40 0 CDABRO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3C(C)C)n1 ZINC000096245753 358725967 /nfs/dbraw/zinc/72/59/67/358725967.db2.gz ZMQNNQXKYCQABV-GJZGRUSLSA-N 1 0 273.380 1.974 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1 ZINC000096249558 358726910 /nfs/dbraw/zinc/72/69/10/358726910.db2.gz QRMATVHWDMZPJN-ZIAGYGMSSA-N 1 0 294.420 1.470 40 0 CDABRO C[N@@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC000096258999 358728895 /nfs/dbraw/zinc/72/88/95/358728895.db2.gz CGHQJDAXEFYQQI-UHFFFAOYSA-N 1 0 259.313 1.088 40 0 CDABRO c1c[nH]c(CNc2ccc(CC[NH+]3CCOCC3)cc2)n1 ZINC000080194946 358731979 /nfs/dbraw/zinc/73/19/79/358731979.db2.gz YMWQYCXXZWYGSH-UHFFFAOYSA-N 1 0 286.379 1.897 40 0 CDABRO COc1cc(OC)cc([C@H](C[NH3+])N2CCOCC2)c1 ZINC000019840866 358995084 /nfs/dbraw/zinc/99/50/84/358995084.db2.gz ILVIJSKSXJSYMY-AWEZNQCLSA-N 1 0 266.341 1.036 40 0 CDABRO CCOc1ccc(-n2ncc3c2nc[nH+]c3NN)cc1 ZINC000062203247 359292997 /nfs/dbraw/zinc/29/29/97/359292997.db2.gz QHBPURKIIMBJSK-UHFFFAOYSA-N 1 0 270.296 1.500 40 0 CDABRO CCc1oc(C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1C ZINC000225570857 359530396 /nfs/dbraw/zinc/53/03/96/359530396.db2.gz OGQNZFRNVKGJOK-NEPJUHHUSA-N 1 0 280.368 1.729 40 0 CDABRO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000044528697 283468782 /nfs/dbraw/zinc/46/87/82/283468782.db2.gz AMIUZKSUZJOKKX-FZMZJTMJSA-N 1 0 276.336 1.024 40 0 CDABRO CN(C(=O)c1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC000036282858 361424748 /nfs/dbraw/zinc/42/47/48/361424748.db2.gz LRZHOCNFEVMDQY-UHFFFAOYSA-N 1 0 262.309 1.239 40 0 CDABRO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000000166973 364091427 /nfs/dbraw/zinc/09/14/27/364091427.db2.gz RRVVQGHHKMQNRC-ZDUSSCGKSA-N 1 0 295.379 1.929 40 0 CDABRO O=C1c2ccccc2C2=C1N(O)[C@@H]1CCCCC[C@H]1[N+]2=O ZINC000217343309 189709220 /nfs/dbraw/zinc/70/92/20/189709220.db2.gz UPUVRTJICMZCNF-CHWSQXEVSA-N 1 0 284.315 1.849 40 0 CDABRO CCC(=O)Nc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000226258281 367362579 /nfs/dbraw/zinc/36/25/79/367362579.db2.gz APKOJQPZAFTXQT-UHFFFAOYSA-N 1 0 262.357 1.369 40 0 CDABRO Cc1nc2ccc(NC(=O)N[C@@H]3CC[NH2+]C3(C)C)cn2n1 ZINC000333394173 205284123 /nfs/dbraw/zinc/28/41/23/205284123.db2.gz XXEQOVFNKGGEIF-LLVKDONJSA-N 1 0 288.355 1.300 40 0 CDABRO COCc1noc([C@H](C)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000333449453 205330900 /nfs/dbraw/zinc/33/09/00/205330900.db2.gz RKEPFNQLFHPMRT-RYUDHWBXSA-N 1 0 294.399 1.693 40 0 CDABRO NNc1[nH+]cnc2c1cnn2-c1ccccc1Cl ZINC000062203240 374134708 /nfs/dbraw/zinc/13/47/08/374134708.db2.gz RWSOIGCVUFAOST-UHFFFAOYSA-N 1 0 260.688 1.755 40 0 CDABRO COC[C@@H]1CC[N@H+](C)C2(CN(Cc3cccc(C)n3)C2)C1 ZINC000306141769 374971703 /nfs/dbraw/zinc/97/17/03/374971703.db2.gz WFZJCHNYGFRGJE-OAHLLOKOSA-N 1 0 289.423 1.933 40 0 CDABRO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cnn(C)c2)C1 ZINC000230163972 375529307 /nfs/dbraw/zinc/52/93/07/375529307.db2.gz YEXXIVAENYCGHI-SGMGOOAPSA-N 1 0 250.390 1.799 40 0 CDABRO O=C(CCCn1ccnc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257200880 190010774 /nfs/dbraw/zinc/01/07/74/190010774.db2.gz AFFVUJUROCICSF-INIZCTEOSA-N 1 0 298.390 1.836 40 0 CDABRO C[NH+](C)CC(=O)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1 ZINC000257210688 190012268 /nfs/dbraw/zinc/01/22/68/190012268.db2.gz BVSBNTJRFPHXCK-SNPRPXQTSA-N 1 0 289.379 1.259 40 0 CDABRO CO[C@H]1CC[N@H+](Cc2cncs2)C[C@@]12CCCO2 ZINC000257228727 190016476 /nfs/dbraw/zinc/01/64/76/190016476.db2.gz FUZRYSXJRASDAY-STQMWFEESA-N 1 0 268.382 1.913 40 0 CDABRO Cc1c[nH]c([C@@H]2C[N@H+](CC3CCOCC3)CCO2)n1 ZINC000257248472 190019781 /nfs/dbraw/zinc/01/97/81/190019781.db2.gz JDUQLRVLVRGEAP-ZDUSSCGKSA-N 1 0 265.357 1.518 40 0 CDABRO Cn1nccc1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257258877 190021686 /nfs/dbraw/zinc/02/16/86/190021686.db2.gz KVWIBZRGYGUIMG-MRXNPFEDSA-N 1 0 298.390 1.526 40 0 CDABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218025793 375778985 /nfs/dbraw/zinc/77/89/85/375778985.db2.gz BLWJLKXJNKQTKR-ILXRZTDVSA-N 1 0 297.420 1.569 40 0 CDABRO O=C(c1cccc(Cl)c1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257288160 190027057 /nfs/dbraw/zinc/02/70/57/190027057.db2.gz PTCSRIKWIVOFEN-ZIAGYGMSSA-N 1 0 294.782 1.621 40 0 CDABRO COC[C@H]1CN(C(=O)CCc2ccccc2)CC[N@H+](C)C1 ZINC000257273315 190024720 /nfs/dbraw/zinc/02/47/20/190024720.db2.gz NGBXNJDOWDSVTF-MRXNPFEDSA-N 1 0 290.407 1.656 40 0 CDABRO CNC(=O)[C@@H]1CN(Cc2cccc(F)c2F)CC[N@H+](C)C1 ZINC000257275245 190024878 /nfs/dbraw/zinc/02/48/78/190024878.db2.gz NOMXRRLHKJXWDF-LBPRGKRZSA-N 1 0 297.349 1.074 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000257291457 190027836 /nfs/dbraw/zinc/02/78/36/190027836.db2.gz QHAMHZNRIKNEMU-QGZVFWFLSA-N 1 0 288.391 1.314 40 0 CDABRO CC(=O)N[C@H]1CC[N@H+](Cc2cccs2)CC[C@@H]1O ZINC000257294047 190028269 /nfs/dbraw/zinc/02/82/69/190028269.db2.gz QSFKNTNGWDRUBW-STQMWFEESA-N 1 0 268.382 1.210 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2ccn(C)n2)cc1 ZINC000257306386 190031050 /nfs/dbraw/zinc/03/10/50/190031050.db2.gz SUCNUSOQNZIYFZ-MRXNPFEDSA-N 1 0 286.379 1.575 40 0 CDABRO Fc1cccc(-c2nccnc2[C@@H]2C[NH2+]CCO2)c1 ZINC000257306320 190031335 /nfs/dbraw/zinc/03/13/35/190031335.db2.gz STUQOQWREDTOLR-LBPRGKRZSA-N 1 0 259.284 1.944 40 0 CDABRO Cn1nccc1-c1ccc(C[C@H]2CC[N@H+](C)C2)cn1 ZINC000257312619 190031976 /nfs/dbraw/zinc/03/19/76/190031976.db2.gz UOUZSAZBMASKFD-CYBMUJFWSA-N 1 0 256.353 1.976 40 0 CDABRO O=C(CCCn1cncn1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257328477 190034743 /nfs/dbraw/zinc/03/47/43/190034743.db2.gz XFTUYYVBDHMWRR-ZIAGYGMSSA-N 1 0 291.399 1.049 40 0 CDABRO c1cnc(Nc2cnc([C@@H]3CCC[NH2+]C3)cn2)nc1 ZINC000257337342 190035977 /nfs/dbraw/zinc/03/59/77/190035977.db2.gz YSKVWCXJPBQTMB-SNVBAGLBSA-N 1 0 256.313 1.477 40 0 CDABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000257340714 190036869 /nfs/dbraw/zinc/03/68/69/190036869.db2.gz ZHGOHSOAXRPCFU-CYBMUJFWSA-N 1 0 276.384 1.520 40 0 CDABRO Cc1c[nH]nc1[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000257340715 190037424 /nfs/dbraw/zinc/03/74/24/190037424.db2.gz ZHGOHSOAXRPCFU-ZDUSSCGKSA-N 1 0 276.384 1.520 40 0 CDABRO COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000218871368 377965512 /nfs/dbraw/zinc/96/55/12/377965512.db2.gz FNVWYGBIEXEYCD-CHWSQXEVSA-N 1 0 264.369 1.716 40 0 CDABRO Cc1c[nH]c(C[NH2+][C@H]2COc3cc(F)ccc3C2)n1 ZINC000657674328 412968236 /nfs/dbraw/zinc/96/82/36/412968236.db2.gz FSLWSZIIDXHUKM-GFCCVEGCSA-N 1 0 261.300 1.951 40 0 CDABRO C[NH+](C)C[C@H]1C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2O1 ZINC000096251652 256834835 /nfs/dbraw/zinc/83/48/35/256834835.db2.gz SHYNBQQCQDETRZ-WZRBSPASSA-N 1 0 264.325 1.071 40 0 CDABRO Cc1cnc(C(=O)N2CCC[C@H]3[NH2+]CCCC[C@@H]32)cn1 ZINC000257333004 292872397 /nfs/dbraw/zinc/87/23/97/292872397.db2.gz XZQLWRFWYDNJIW-OCCSQVGLSA-N 1 0 274.368 1.532 40 0 CDABRO CC(C)OC(=O)[C@@H]1CC[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000096510336 390530669 /nfs/dbraw/zinc/53/06/69/390530669.db2.gz GXNVKSKNYMQVPW-MNOVXSKESA-N 1 0 286.372 1.441 40 0 CDABRO COc1ccc(C2=N[C@]3(CCC[NH2+]C3)N(C)C2=O)cc1 ZINC000096516449 390534655 /nfs/dbraw/zinc/53/46/55/390534655.db2.gz MRFGIWWKQUEAPC-OAHLLOKOSA-N 1 0 273.336 1.036 40 0 CDABRO C[C@@H]1CCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096157308 390913297 /nfs/dbraw/zinc/91/32/97/390913297.db2.gz LWRIIFBOFNRBHI-NEPJUHHUSA-N 1 0 252.358 1.299 40 0 CDABRO O=C1CC2(CC[NH2+]CC2)C(=O)N1c1cccc(Cl)c1 ZINC000096157193 390913361 /nfs/dbraw/zinc/91/33/61/390913361.db2.gz PODBTKHGQJYFNF-UHFFFAOYSA-N 1 0 278.739 1.973 40 0 CDABRO COCC[N@@H+]1CC[C@H]2CN(c3ncccn3)CC[C@H]21 ZINC000096249194 390913583 /nfs/dbraw/zinc/91/35/83/390913583.db2.gz CVHWQGRSLDCQTN-QWHCGFSZSA-N 1 0 262.357 1.024 40 0 CDABRO CC(C)[N@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2CC1CCCCC1 ZINC000067897099 391964019 /nfs/dbraw/zinc/96/40/19/391964019.db2.gz BDWXDRUDRQJCEU-CABCVRRESA-N 1 0 280.412 1.887 40 0 biogenic,in-vitro CDABRO COc1ccc(C[C@H](C)NC(=O)C(C)(C)[NH3+])cc1OC ZINC000262448061 131221185 /nfs/dbraw/zinc/22/11/85/131221185.db2.gz DMGDIOVHOYHBSV-JTQLQIEISA-N 1 0 280.368 1.488 40 0 CDABRO COc1ccc(C[C@H]2CN(C)CC[C@@H]2[NH3+])c(OC)c1OC ZINC000242390242 392695520 /nfs/dbraw/zinc/69/55/20/392695520.db2.gz AGGSXHAAIPDJDW-STQMWFEESA-N 1 0 294.395 1.534 40 0 CDABRO COc1cc(C[C@@H]([NH3+])C(C)=O)cc(OC)c1OC ZINC000005883582 170149932 /nfs/dbraw/zinc/14/99/32/170149932.db2.gz DABZWAIDJQIHCS-SNVBAGLBSA-N 1 0 253.298 1.171 40 0 CDABRO C[NH+](C)CCCNC(=O)CSc1nc2ccccc2[nH]1 ZINC000006381332 170196979 /nfs/dbraw/zinc/19/69/79/170196979.db2.gz AEQMTHARTVEMGJ-UHFFFAOYSA-N 1 0 292.408 1.723 40 0 CDABRO COc1cccc(C=O)c1OCCCN1CC[NH2+]CC1 ZINC000019798097 170870063 /nfs/dbraw/zinc/87/00/63/170870063.db2.gz AFOIXINYGLFVRJ-UHFFFAOYSA-N 1 0 278.352 1.182 40 0 CDABRO C[NH+]1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072354959 176374684 /nfs/dbraw/zinc/37/46/84/176374684.db2.gz INNJMRXWJUQNNF-UHFFFAOYSA-N 1 0 270.340 1.819 40 0 CDABRO CNc1cc([C@H]2CCCC[N@@H+]2CCO)nc(C)n1 ZINC000072359940 176377139 /nfs/dbraw/zinc/37/71/39/176377139.db2.gz LKYOUQSGSKMDGD-GFCCVEGCSA-N 1 0 250.346 1.346 40 0 CDABRO O=C(NCCc1ccccc1)c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000072365580 176380501 /nfs/dbraw/zinc/38/05/01/176380501.db2.gz TXMWGPNYALXTAD-AWEZNQCLSA-N 1 0 296.374 1.874 40 0 CDABRO CC(=O)NCCNc1cc(CC[C@@H]2CCCC[NH2+]2)ncn1 ZINC000072366317 176381198 /nfs/dbraw/zinc/38/11/98/176381198.db2.gz WVUBUKFUQGCKKB-ZDUSSCGKSA-N 1 0 291.399 1.099 40 0 CDABRO Cn1ccnc1CNc1cc([C@@H]2CCC[NH2+]2)ccn1 ZINC000072386927 176392645 /nfs/dbraw/zinc/39/26/45/176392645.db2.gz CREXAACODJHIMS-LBPRGKRZSA-N 1 0 257.341 1.852 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2nccnc2c1 ZINC000072397618 176394882 /nfs/dbraw/zinc/39/48/82/176394882.db2.gz XLNJRKVRWGASSU-NWANDNLSSA-N 1 0 298.390 1.269 40 0 CDABRO COCCN1CC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000078663175 177367899 /nfs/dbraw/zinc/36/78/99/177367899.db2.gz PGUOROYSLNVTFH-ZDUSSCGKSA-N 1 0 270.323 1.775 40 0 CDABRO Cc1nc([C@@H]2CC[NH2+]C2)nc2c1CCC(=O)N2CC(C)C ZINC000072345726 274845168 /nfs/dbraw/zinc/84/51/68/274845168.db2.gz GAGPMLTYWUWYML-GFCCVEGCSA-N 1 0 288.395 1.797 40 0 CDABRO C(OC[C@@]12CCCO[C@H]1CC[NH2+]C2)C1CCOCC1 ZINC000306138078 276817542 /nfs/dbraw/zinc/81/75/42/276817542.db2.gz ROMYBDFXILCMTL-GJZGRUSLSA-N 1 0 269.385 1.588 40 0 CDABRO COc1ccc2c(c1OC)OC[C@H](C[NH+](C)C)C2=O ZINC000003594231 277998468 /nfs/dbraw/zinc/99/84/68/277998468.db2.gz RRDYAYUAHOIMFI-VIFPVBQESA-N 1 0 265.309 1.457 40 0 CDABRO Cc1nc([C@H]2CC[N@@H+]2C2CCOCC2)cc(N(C)C)n1 ZINC000072387474 279108953 /nfs/dbraw/zinc/10/89/53/279108953.db2.gz UADXGECFZCWCMF-CQSZACIVSA-N 1 0 276.384 1.777 40 0 CDABRO Cc1cn(C)cc2c(=O)n(-c3ccccc3)[n+](C)c1-2 ZINC000001668603 280277143 /nfs/dbraw/zinc/27/71/43/280277143.db2.gz OWHAGTCBUZQRRE-UHFFFAOYSA-N 1 0 254.313 1.462 40 0 CDABRO Cc1ccc(C(N)=[NH2+])cc1I ZINC000071617635 280760687 /nfs/dbraw/zinc/76/06/87/280760687.db2.gz YXTNXTONPJXCSB-UHFFFAOYSA-N 1 0 260.078 1.884 40 0 CDABRO Cc1n[nH]c(C)c1-c1nccnc1C[C@@H]1CC[NH2+]C1 ZINC000257264770 293092630 /nfs/dbraw/zinc/09/26/30/293092630.db2.gz LVZBHBZFHRKJCU-NSHDSACASA-N 1 0 257.341 1.636 40 0 CDABRO Cn1nc(OCC[NH3+])c2cc(Br)ccc21 ZINC000218697364 333135254 /nfs/dbraw/zinc/13/52/54/333135254.db2.gz MUWIKBWPASJUCE-UHFFFAOYSA-N 1 0 270.130 1.673 40 0 CDABRO CCCNc1ncc(C[NH2+]CCCN2CCCC2=O)cn1 ZINC000062717726 333176103 /nfs/dbraw/zinc/17/61/03/333176103.db2.gz YIUBBODMWXSUHG-UHFFFAOYSA-N 1 0 291.399 1.401 40 0 CDABRO C[NH+]1CCC(C(=O)Nc2ccccc2C(N)=O)CC1 ZINC000074713383 567903692 /nfs/dbraw/zinc/90/36/92/567903692.db2.gz BJBLMCCFYYJEMU-UHFFFAOYSA-N 1 0 261.325 1.066 40 0 CDABRO c1cc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)ccn1 ZINC000096110688 342451683 /nfs/dbraw/zinc/45/16/83/342451683.db2.gz DABADBDWDFLXAT-IAGOWNOFSA-N 1 0 287.407 1.767 40 0 CDABRO CCN1CCC2(CC[NH+](Cc3cccnc3)CC2)C1=O ZINC000096046744 185071612 /nfs/dbraw/zinc/07/16/12/185071612.db2.gz CCQAJPSNOMYYGZ-UHFFFAOYSA-N 1 0 273.380 1.916 40 0 CDABRO COCCN1C(=O)CC[C@]12CCC[N@H+](CC1CC1)CC2 ZINC000096047533 185073310 /nfs/dbraw/zinc/07/33/10/185073310.db2.gz JJHWOLJYFGNYML-INIZCTEOSA-N 1 0 280.412 1.890 40 0 CDABRO c1ccc(CO[C@H]2C[C@@H]3C[N@H+](CC4CC4)CCN3C2)nc1 ZINC000096055125 185076126 /nfs/dbraw/zinc/07/61/26/185076126.db2.gz XFZIQEZBAUMNGZ-SJORKVTESA-N 1 0 287.407 1.767 40 0 CDABRO COCCN1CC[C@H]2C[N@H+](Cc3ccc(C)o3)C[C@@H]2C1=O ZINC000096054614 185076236 /nfs/dbraw/zinc/07/62/36/185076236.db2.gz ZPUXMNIQXHWOAC-ZFWWWQNUSA-N 1 0 292.379 1.515 40 0 CDABRO CNC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc(C)o2)C1 ZINC000096057645 185077314 /nfs/dbraw/zinc/07/73/14/185077314.db2.gz DUYNMEHBHGWIIH-IACUBPJLSA-N 1 0 278.352 1.313 40 0 CDABRO CN(C)C(=O)[C@@H]1CCC2(CC[NH+](CC3CC3)CC2)O1 ZINC000096061150 185082471 /nfs/dbraw/zinc/08/24/71/185082471.db2.gz RJHGGJSQWXSGIP-ZDUSSCGKSA-N 1 0 266.385 1.498 40 0 CDABRO O=C(NCC1CC1)[C@H]1CCC2(CC[NH+](CC3CC3)CC2)O1 ZINC000096061207 185082946 /nfs/dbraw/zinc/08/29/46/185082946.db2.gz VYXSWISCKIRVNP-OAHLLOKOSA-N 1 0 292.423 1.936 40 0 CDABRO CC(C)C[NH+]1CC2(C1)CCN(C(=O)c1ccncc1)C2 ZINC000096070775 185086219 /nfs/dbraw/zinc/08/62/19/185086219.db2.gz FJDPSANONPQFGS-UHFFFAOYSA-N 1 0 273.380 1.886 40 0 CDABRO O=C(Nc1cccnc1)[C@H]1C[C@@H]2C[N@H+](CC3CC3)C[C@H]1O2 ZINC000096083627 185092239 /nfs/dbraw/zinc/09/22/39/185092239.db2.gz REVPPJVSMWMVDP-QLFBSQMISA-N 1 0 287.363 1.519 40 0 CDABRO Cc1ccc(CN2Cc3ccnn3CC[C@@H]2CO)o1 ZINC000585096997 342211780 /nfs/dbraw/zinc/21/17/80/342211780.db2.gz GMUIWFQMZXWRCQ-CYBMUJFWSA-N 1 0 261.325 1.551 40 0 CDABRO COc1ccccc1CN1Cc2cncn2CC[C@@H]1CO ZINC000585096864 342211872 /nfs/dbraw/zinc/21/18/72/342211872.db2.gz DUBDTDKYZGPVGI-CQSZACIVSA-N 1 0 287.363 1.659 40 0 CDABRO COC[C@]1(CC(N)=O)CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000585275984 342256264 /nfs/dbraw/zinc/25/62/64/342256264.db2.gz CHZQKXVKOXTMRE-OAHLLOKOSA-N 1 0 298.333 1.821 40 0 CDABRO CO[C@@]1(CCC(N)=O)CCC[N@H+](Cc2ccncc2C)C1 ZINC000585277324 342256390 /nfs/dbraw/zinc/25/63/90/342256390.db2.gz UMZJZIKSZKXKSZ-MRXNPFEDSA-N 1 0 291.395 1.637 40 0 CDABRO Cc1ccc(C[C@H]2CC[N@H+](CCC(N)=O)C[C@H]2O)cc1 ZINC000585278628 342256972 /nfs/dbraw/zinc/25/69/72/342256972.db2.gz PIULOVRFSBSGSM-HUUCEWRRSA-N 1 0 276.380 1.096 40 0 CDABRO c1csc(COC[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)n1 ZINC000247841213 362135412 /nfs/dbraw/zinc/13/54/12/362135412.db2.gz KZPUTSPATLCNNS-NHCYSSNCSA-N 1 0 254.355 1.427 40 0 CDABRO CC(=O)N(C(C)C)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000100177668 185706831 /nfs/dbraw/zinc/70/68/31/185706831.db2.gz LEKOSKZRJNYYDN-WCFLWFBJSA-N 1 0 269.389 1.018 40 0 CDABRO Cc1cccc(C[NH+]2CCC3(CCC(=O)NC3)CC2)n1 ZINC000108535456 186222652 /nfs/dbraw/zinc/22/26/52/186222652.db2.gz PSSWEGDDIFMZIM-UHFFFAOYSA-N 1 0 273.380 1.882 40 0 CDABRO COc1ccc(C[C@@H](C)CN(C)C(=O)[C@H](C)[NH3+])cc1 ZINC000158072629 188355912 /nfs/dbraw/zinc/35/59/12/188355912.db2.gz OJNXTMLMAPIJER-NEPJUHHUSA-N 1 0 264.369 1.679 40 0 CDABRO COCCC[NH2+][C@@H]1CCN(Cc2ccccc2F)C[C@H]1O ZINC000036739949 356879775 /nfs/dbraw/zinc/87/97/75/356879775.db2.gz MCHPBZIJBDNZIC-HZPDHXFCSA-N 1 0 296.386 1.387 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCO)C1 ZINC000079407893 356991182 /nfs/dbraw/zinc/99/11/82/356991182.db2.gz BRWKKMOAWMMRAM-NSHDSACASA-N 1 0 258.362 1.310 40 0 CDABRO CC[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415229 356994330 /nfs/dbraw/zinc/99/43/30/356994330.db2.gz MNGJTWBDSLUSIZ-CQSZACIVSA-N 1 0 261.369 1.068 40 0 CDABRO C[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000054370021 357319091 /nfs/dbraw/zinc/31/90/91/357319091.db2.gz LIJFOCYVPPYXJY-JTQLQIEISA-N 1 0 252.745 1.703 40 0 CDABRO CN(C[C@H]1CCCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408395 358070106 /nfs/dbraw/zinc/07/01/06/358070106.db2.gz DQEKVKHDJBOEIT-GFCCVEGCSA-N 1 0 271.405 1.524 40 0 CDABRO Cn1c(C[NH2+]C[C@@H](O)c2ccco2)nc2ccccc21 ZINC000080189860 358713376 /nfs/dbraw/zinc/71/33/76/358713376.db2.gz UHTBAODGHPEKEO-CYBMUJFWSA-N 1 0 271.320 1.990 40 0 CDABRO COc1ccccc1C[NH2+]C[C@H]1COCc2c1cnn2C ZINC000096197694 358716055 /nfs/dbraw/zinc/71/60/55/358716055.db2.gz HEVOOUSYVRDCEH-ZDUSSCGKSA-N 1 0 287.363 1.832 40 0 CDABRO C[N@@H+]1CC[C@@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096201914 358719297 /nfs/dbraw/zinc/71/92/97/358719297.db2.gz DSYKGZRMLUKKPP-AWEZNQCLSA-N 1 0 266.410 1.902 40 0 CDABRO COCC[N@@H+]1CC[C@@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096218488 358722324 /nfs/dbraw/zinc/72/23/24/358722324.db2.gz BARYWAMDNKJXDT-JKSUJKDBSA-N 1 0 277.364 1.945 40 0 CDABRO CC[N@@H+]1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253445 358727420 /nfs/dbraw/zinc/72/74/20/358727420.db2.gz AGECJHOCFMXKCW-QLFBSQMISA-N 1 0 274.364 1.412 40 0 CDABRO Cn1cc(-c2ncnc3c2CC[N@@H+]([C@H]2CCOC2)CC3)cn1 ZINC000096255222 358728585 /nfs/dbraw/zinc/72/85/85/358728585.db2.gz LTNLGLGWMRLCBJ-ZDUSSCGKSA-N 1 0 299.378 1.067 40 0 CDABRO COc1ccc(N2CC[C@@H](C[NH3+])S2(=O)=O)cc1Cl ZINC000222544496 359352761 /nfs/dbraw/zinc/35/27/61/359352761.db2.gz UDRARBWWVNEJOG-VIFPVBQESA-N 1 0 290.772 1.216 40 0 CDABRO CN[C@H](C(N)=O)c1cc(Br)ccc1OC ZINC000037869831 359462965 /nfs/dbraw/zinc/46/29/65/359462965.db2.gz FUWISXRNFUFADM-VIFPVBQESA-N 1 0 273.130 1.204 40 0 CDABRO C[NH+](C)CCNC(=S)Nc1c(F)cccc1F ZINC000225403869 359587144 /nfs/dbraw/zinc/58/71/44/359587144.db2.gz ZZYUFRHADUNTSL-UHFFFAOYSA-N 1 0 259.325 1.813 40 0 CDABRO COc1cccnc1NC(=S)NC1CC[NH+](C)CC1 ZINC000225800632 359617305 /nfs/dbraw/zinc/61/73/05/359617305.db2.gz QXJNXHMUFKNASI-UHFFFAOYSA-N 1 0 280.397 1.471 40 0 CDABRO [NH3+]C1(CNC(=O)N2CCC[C@@H](CCO)CC2)CCC1 ZINC000643438765 368169149 /nfs/dbraw/zinc/16/91/49/368169149.db2.gz HUIJLDQOMDPNJT-GFCCVEGCSA-N 1 0 269.389 1.062 40 0 CDABRO Cc1noc(-c2ccnc(N3CCC[C@@H]([NH3+])C3)c2)n1 ZINC000070458117 374663983 /nfs/dbraw/zinc/66/39/83/374663983.db2.gz ILBIUFRSKAEVAO-LLVKDONJSA-N 1 0 259.313 1.368 40 0 CDABRO Cc1nc(CN2CCO[C@H]3CC[NH2+]CC[C@H]32)cs1 ZINC000306130634 374967872 /nfs/dbraw/zinc/96/78/72/374967872.db2.gz JLRUEONTSMDGPS-OLZOCXBDSA-N 1 0 267.398 1.404 40 0 CDABRO COc1ccnc(CN2C[C@H](C)[NH+](C)[C@@H](C)C2)c1OC ZINC000225598673 375170863 /nfs/dbraw/zinc/17/08/63/375170863.db2.gz SVFVMBQTUSDEGE-RYUDHWBXSA-N 1 0 279.384 1.623 40 0 CDABRO CCn1cc(C[NH2+]Cc2cnn(CCF)c2)cn1 ZINC000256051745 190003846 /nfs/dbraw/zinc/00/38/46/190003846.db2.gz KKHZURIKVMIZDQ-UHFFFAOYSA-N 1 0 251.309 1.359 40 0 CDABRO Cc1cnn(C)c1C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000256053030 190004281 /nfs/dbraw/zinc/00/42/81/190004281.db2.gz PSIMPPWSWQYWNH-UHFFFAOYSA-N 1 0 261.373 1.871 40 0 CDABRO CNc1cc(Nc2nccc([C@@H]3CCC[NH2+]C3)n2)ncn1 ZINC000257229117 190016196 /nfs/dbraw/zinc/01/61/96/190016196.db2.gz FWSRUQQHRRBTPN-SNVBAGLBSA-N 1 0 285.355 1.519 40 0 CDABRO CN(Cc1ccc(F)cc1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000257239290 190017852 /nfs/dbraw/zinc/01/78/52/190017852.db2.gz HORGZKLUOICIMB-CQSZACIVSA-N 1 0 266.316 1.163 40 0 CDABRO CCn1nccc1-c1nccnc1C[C@H]1CCC[NH2+]C1 ZINC000257243985 190018994 /nfs/dbraw/zinc/01/89/94/190018994.db2.gz IJKQSDVYENLRHK-GFCCVEGCSA-N 1 0 271.368 1.902 40 0 CDABRO CCOC[C@@]1([NH3+])C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218004957 375775948 /nfs/dbraw/zinc/77/59/48/375775948.db2.gz XTTILHAPXQSDJK-RYUDHWBXSA-N 1 0 289.784 1.620 40 0 CDABRO C[N@@H+]1CCC[C@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257271228 190024361 /nfs/dbraw/zinc/02/43/61/190024361.db2.gz MXKPKOLLMHJZRG-JTQLQIEISA-N 1 0 262.313 1.242 40 0 CDABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3cnccn3)C2)n1 ZINC000257306774 190031529 /nfs/dbraw/zinc/03/15/29/190031529.db2.gz SVVAPQDAFXTBEQ-LBPRGKRZSA-N 1 0 257.341 1.508 40 0 CDABRO Cc1nccc(C[C@H]2COCC[N@@H+](C3CCOCC3)C2)n1 ZINC000257300819 190029059 /nfs/dbraw/zinc/02/90/59/190029059.db2.gz RVUZGPKBAMWBQG-CQSZACIVSA-N 1 0 291.395 1.455 40 0 CDABRO Cc1ccnc([C@H]2CC[N@H+](CC3(O)CCOCC3)C2)n1 ZINC000257299135 190029584 /nfs/dbraw/zinc/02/95/84/190029584.db2.gz ROVZHXDGBVKAMS-ZDUSSCGKSA-N 1 0 277.368 1.116 40 0 CDABRO O[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1Oc1ccccc1 ZINC000257316967 190032846 /nfs/dbraw/zinc/03/28/46/190032846.db2.gz VHSWMDIIXUEZBQ-HZPDHXFCSA-N 1 0 270.332 1.706 40 0 CDABRO CNC(=O)[C@]1(CCCc2cnccn2)CCC[N@@H+]1C ZINC000257318558 190033538 /nfs/dbraw/zinc/03/35/38/190033538.db2.gz VOLJIRKAVRFYIF-AWEZNQCLSA-N 1 0 262.357 1.010 40 0 CDABRO CCn1nccc1-c1cnc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000257327585 190034610 /nfs/dbraw/zinc/03/46/10/190034610.db2.gz XBYIJECQVDSRGV-NSHDSACASA-N 1 0 257.341 1.512 40 0 CDABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)CN1CCCC1=O ZINC000257338169 190036669 /nfs/dbraw/zinc/03/66/69/190036669.db2.gz YWGHRSPSCWWTEL-BBRMVZONSA-N 1 0 293.411 1.084 40 0 CDABRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1CCC(F)(F)C1 ZINC000331307049 376911329 /nfs/dbraw/zinc/91/13/29/376911329.db2.gz GGYBGZJRKJKPAE-NEPJUHHUSA-N 1 0 290.354 1.385 40 0 CDABRO Cc1noc(CN[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000289322241 197297046 /nfs/dbraw/zinc/29/70/46/197297046.db2.gz CMKVOLZXDOBFJK-HIFRSBDPSA-N 1 0 272.352 1.913 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000252516041 256689058 /nfs/dbraw/zinc/68/90/58/256689058.db2.gz PMYFSPNGJWZBLC-HBNTYKKESA-N 1 0 259.758 1.425 40 0 CDABRO c1nc(N2CCCC2)ncc1C[NH2+]C[C@@H]1CCCO1 ZINC000062717798 262303287 /nfs/dbraw/zinc/30/32/87/262303287.db2.gz XSUSXCFBRPPSBW-ZDUSSCGKSA-N 1 0 262.357 1.345 40 0 CDABRO COc1ccc(C(=O)SCCCNC(N)=[NH2+])cc1 ZINC000001579130 390139003 /nfs/dbraw/zinc/13/90/03/390139003.db2.gz WWCADKMTPBZSQE-UHFFFAOYSA-N 1 0 267.354 1.442 40 0 CDABRO O=CN1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216194 390621335 /nfs/dbraw/zinc/62/13/35/390621335.db2.gz IZXGVNDWMMLBDV-AWEZNQCLSA-N 1 0 275.352 1.602 40 0 CDABRO CCc1nc(=O)c2ccccc2n1C1=CC[NH2+]CC1 ZINC000072397450 390628312 /nfs/dbraw/zinc/62/83/12/390628312.db2.gz CHMPTEMDDOSXJC-UHFFFAOYSA-N 1 0 255.321 1.793 40 0 CDABRO C[C@@H]([NH3+])[C@@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000072208292 390616601 /nfs/dbraw/zinc/61/66/01/390616601.db2.gz UXYKRUPUCPDXKJ-TZMCWYRMSA-N 1 0 262.353 1.366 40 0 CDABRO CSc1ncc(C[NH2+]CCOc2ccccn2)cn1 ZINC000062717265 391569295 /nfs/dbraw/zinc/56/92/95/391569295.db2.gz IAJUXXNKERHWNK-UHFFFAOYSA-N 1 0 276.365 1.762 40 0 CDABRO CC[NH+](CC)CCNCc1cnc(N2CCCC2)nc1 ZINC000062718491 391576543 /nfs/dbraw/zinc/57/65/43/391576543.db2.gz UTMMHCNOYHPFQQ-UHFFFAOYSA-N 1 0 277.416 1.508 40 0 CDABRO CCOC(=O)[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)OC(C)(C)C ZINC000306143125 391852830 /nfs/dbraw/zinc/85/28/30/391852830.db2.gz XTTHXPZTXTVWMV-MXWKQRLJSA-N 1 0 284.356 1.147 40 0 CDABRO CCOC[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc(C)cc1 ZINC000242400248 392696021 /nfs/dbraw/zinc/69/60/21/392696021.db2.gz ARXKOCAAFLCZJU-RBSFLKMASA-N 1 0 297.420 1.487 40 0 CDABRO COc1ccc(C[C@H]2C[N@H+](C)CC[C@H]2O)c(OC)c1OC ZINC000252497672 392795040 /nfs/dbraw/zinc/79/50/40/392795040.db2.gz QMQMRMFUDUJKIO-QWHCGFSZSA-N 1 0 295.379 1.568 40 0 CDABRO COCC[NH2+]C[C@H](O)c1cncc(Br)c1 ZINC000125143722 393018073 /nfs/dbraw/zinc/01/80/73/393018073.db2.gz CWAUOZGZCGUHCE-JTQLQIEISA-N 1 0 275.146 1.114 40 0 CDABRO CC[NH+](CC)CCCN[C@H](C)C(=O)N1CCCC1 ZINC000004969464 170047091 /nfs/dbraw/zinc/04/70/91/170047091.db2.gz XOZMLCMCGJMAGB-CYBMUJFWSA-N 1 0 255.406 1.319 40 0 CDABRO CCCC(=O)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019501323 170815066 /nfs/dbraw/zinc/81/50/66/170815066.db2.gz MLBLDUBTKYNPHL-LBPRGKRZSA-N 1 0 288.395 1.628 40 0 CDABRO CN(C)S(=O)(=O)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000044029904 175138704 /nfs/dbraw/zinc/13/87/04/175138704.db2.gz UKSCWQVDLAZRKX-UHFFFAOYSA-N 1 0 284.381 1.068 40 0 CDABRO CC(C)(C)C[NH2+]C1(Cc2cc(CCO)on2)COC1 ZINC000072321909 176369400 /nfs/dbraw/zinc/36/94/00/176369400.db2.gz HSOZFDHIYATYSV-UHFFFAOYSA-N 1 0 268.357 1.157 40 0 biogenic,in-vitro CDABRO CN(C(=O)Cc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000072343436 176372098 /nfs/dbraw/zinc/37/20/98/176372098.db2.gz FUWZBODMSSZBGB-CYBMUJFWSA-N 1 0 264.344 1.969 40 0 CDABRO CN1CC[NH2+]C[C@@H](Cc2cccc3ncccc23)C1 ZINC000072344402 176373231 /nfs/dbraw/zinc/37/32/31/176373231.db2.gz WGNZOCVLEKSFCF-CYBMUJFWSA-N 1 0 255.365 1.929 40 0 CDABRO COC[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CC[N@H+](C)C1 ZINC000072354439 176374690 /nfs/dbraw/zinc/37/46/90/176374690.db2.gz CGZMPQORSMZKFE-LBPRGKRZSA-N 1 0 296.798 1.990 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc(F)ccc1F ZINC000072397676 176395086 /nfs/dbraw/zinc/39/50/86/176395086.db2.gz CXRGNYDKPUQGJC-LERXQTSPSA-N 1 0 282.334 1.604 40 0 CDABRO CCOc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)cc1 ZINC000072397575 176395124 /nfs/dbraw/zinc/39/51/24/176395124.db2.gz QQIFUIXIROAAQF-NUEKZKHPSA-N 1 0 290.407 1.725 40 0 CDABRO COCc1nc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cs1 ZINC000078455055 177343189 /nfs/dbraw/zinc/34/31/89/177343189.db2.gz GOODQLSJDODZBI-LLVKDONJSA-N 1 0 297.424 1.846 40 0 CDABRO CCCNc1ncc(C[NH2+]CCCOCC)cn1 ZINC000062717686 262302409 /nfs/dbraw/zinc/30/24/09/262302409.db2.gz YDMCFUGXLLTWON-UHFFFAOYSA-N 1 0 252.362 1.815 40 0 CDABRO CC[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cn3)C2)C1 ZINC000096229355 276204567 /nfs/dbraw/zinc/20/45/67/276204567.db2.gz AERCGQGONHWSNW-INIZCTEOSA-N 1 0 290.411 1.724 40 0 CDABRO CCS(=O)(=O)NCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000230111896 280025357 /nfs/dbraw/zinc/02/53/57/280025357.db2.gz RBZCOTIIGANSMM-FRRDWIJNSA-N 1 0 274.430 1.579 40 0 CDABRO Cc1ccc2c(n1)N(Cc1cccnc1)CC[NH2+]C2 ZINC000096087205 281136854 /nfs/dbraw/zinc/13/68/54/281136854.db2.gz PHZAIHYSPBNHOW-UHFFFAOYSA-N 1 0 254.337 1.895 40 0 CDABRO CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)C[NH3+] ZINC000079390819 289700882 /nfs/dbraw/zinc/70/08/82/289700882.db2.gz BQCWSQLPNMBZTC-NSHDSACASA-N 1 0 285.388 1.193 40 0 CDABRO OC[C@@H]1C[NH2+]C[C@@H]1c1cc(Br)cs1 ZINC000307066998 482442291 /nfs/dbraw/zinc/44/22/91/482442291.db2.gz VADDMJYXMJRJTH-XPUUQOCRSA-N 1 0 262.172 1.806 40 0 CDABRO CC[NH+](CC)CCc1nc(-c2cccc(N)c2)n[nH]1 ZINC000062719466 520712112 /nfs/dbraw/zinc/71/21/12/520712112.db2.gz CWEJZBGVNVSLHZ-UHFFFAOYSA-N 1 0 259.357 1.938 40 0 CDABRO CC[NH+]1CCN(C[C@H](O)COc2cccc(C)c2)CC1 ZINC000022030824 521687277 /nfs/dbraw/zinc/68/72/77/521687277.db2.gz JHJRVXUCLYSFQV-HNNXBMFYSA-N 1 0 278.396 1.372 40 0 CDABRO c1nn(C2CC[NH2+]CC2)c2ncnc(N3CCCCC3)c12 ZINC000228927537 570372946 /nfs/dbraw/zinc/37/29/46/570372946.db2.gz JCCIWROXKCIQJB-UHFFFAOYSA-N 1 0 286.383 1.741 40 0 CDABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096038979 185069047 /nfs/dbraw/zinc/06/90/47/185069047.db2.gz QDVIMXPIVJKTEN-LSDHHAIUSA-N 1 0 279.384 1.438 40 0 CDABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)CC[C@H]32)o1 ZINC000096057323 185077694 /nfs/dbraw/zinc/07/76/94/185077694.db2.gz IQJBKHYCOSSOFV-KFWWJZLASA-N 1 0 292.379 1.798 40 0 CDABRO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccnc2)O1 ZINC000096057327 185078220 /nfs/dbraw/zinc/07/82/20/185078220.db2.gz GLBZFVWSHDPSHY-KFWWJZLASA-N 1 0 289.379 1.292 40 0 CDABRO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](CC4CC4)C[C@H]3O2)n1 ZINC000096058246 185078723 /nfs/dbraw/zinc/07/87/23/185078723.db2.gz VZLLSYPDDMZIQW-RWMBFGLXSA-N 1 0 263.341 1.940 40 0 CDABRO CCOC[C@H]1C[N@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096060225 185080591 /nfs/dbraw/zinc/08/05/91/185080591.db2.gz OVLITQGLBCUGNT-CQSZACIVSA-N 1 0 293.411 1.782 40 0 CDABRO COCCO[C@H]1CC[N@H+](CC2CC2)[C@H]1Cc1cnn(C)c1 ZINC000096061644 185082485 /nfs/dbraw/zinc/08/24/85/185082485.db2.gz RVUBEYPRFVPHRE-HOTGVXAUSA-N 1 0 293.411 1.479 40 0 CDABRO O=C1C[C@H](c2cccnc2)C2(CC[NH+](CC3CC3)CC2)N1 ZINC000096061475 185083032 /nfs/dbraw/zinc/08/30/32/185083032.db2.gz IEJKTZMJNPAVGR-OAHLLOKOSA-N 1 0 285.391 1.930 40 0 CDABRO CC(C)C[NH+]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2C1 ZINC000096081017 185091466 /nfs/dbraw/zinc/09/14/66/185091466.db2.gz LBLBOQRMYULYFE-HUUCEWRRSA-N 1 0 273.380 1.741 40 0 CDABRO O=S1(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000096100449 185097628 /nfs/dbraw/zinc/09/76/28/185097628.db2.gz YZTODTHWLXHOJI-ZIAGYGMSSA-N 1 0 280.393 1.200 40 0 CDABRO Fc1cccnc1O[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000096107045 185099956 /nfs/dbraw/zinc/09/99/56/185099956.db2.gz ABLBBVWIBFXYSH-JTQLQIEISA-N 1 0 252.289 1.511 40 0 CDABRO COCc1nnc2n1CC[N@@H+](CC1CCC1)[C@@H](C)C2 ZINC000585097485 342211576 /nfs/dbraw/zinc/21/15/76/342211576.db2.gz KKNKJWKLRMBHMW-NSHDSACASA-N 1 0 264.373 1.471 40 0 CDABRO C[C@]12CCC[N@H+](CC3(O)CCOCC3)[C@H]1CCCC(=O)N2 ZINC000585262738 342250198 /nfs/dbraw/zinc/25/01/98/342250198.db2.gz BDMYGSFUSAFLMY-ZFWWWQNUSA-N 1 0 296.411 1.051 40 0 CDABRO Cc1ccc(OC[C@@]2(O)CC[N@@H+](C3CCOCC3)C2)cc1 ZINC000585269117 342254531 /nfs/dbraw/zinc/25/45/31/342254531.db2.gz KHUHFMDVRXFIIR-QGZVFWFLSA-N 1 0 291.391 1.990 40 0 CDABRO C[NH+](C)CCN(Cc1ccncc1)C(=O)C1=CCCCO1 ZINC000073455421 342444994 /nfs/dbraw/zinc/44/49/94/342444994.db2.gz UYVPNUXOJDNSHS-UHFFFAOYSA-N 1 0 289.379 1.666 40 0 CDABRO CN1CCN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1c1ccccc1 ZINC000257329279 362587109 /nfs/dbraw/zinc/58/71/09/362587109.db2.gz XJEFTJCJVBYIKD-OAHLLOKOSA-N 1 0 297.358 1.916 40 0 CDABRO Brc1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC000091303451 180130501 /nfs/dbraw/zinc/13/05/01/180130501.db2.gz GCZFWPQISUIXNJ-UHFFFAOYSA-N 1 0 281.157 1.959 40 0 CDABRO c1nncn1[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccnc1)C2 ZINC000107787786 186192095 /nfs/dbraw/zinc/19/20/95/186192095.db2.gz OIPNZFOHLDQELK-CVEARBPZSA-N 1 0 299.378 1.669 40 0 CDABRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(C)o2)[C@@H](C)C1 ZINC000154769776 351334230 /nfs/dbraw/zinc/33/42/30/351334230.db2.gz JPENZDFWDCPJBT-LBPRGKRZSA-N 1 0 280.368 1.657 40 0 CDABRO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000157782764 188338419 /nfs/dbraw/zinc/33/84/19/188338419.db2.gz KGBQMIWFESCUES-YPMHNXCESA-N 1 0 285.384 1.924 40 0 CDABRO Cc1ccccc1OCC(=O)NCCC[NH+]1CCCC1 ZINC000013672852 356353371 /nfs/dbraw/zinc/35/33/71/356353371.db2.gz KRWNKVXLJRPHEP-UHFFFAOYSA-N 1 0 276.380 1.976 40 0 CDABRO CC[NH+]1CCN(c2nc(CCC(C)C)cc(=O)[nH]2)CC1 ZINC000022448935 356612492 /nfs/dbraw/zinc/61/24/92/356612492.db2.gz GQJLWQSMYDEJGX-UHFFFAOYSA-N 1 0 278.400 1.500 40 0 CDABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000022030810 356598040 /nfs/dbraw/zinc/59/80/40/356598040.db2.gz CPMNUFSZWYXFOX-DLBZAZTESA-N 1 0 292.423 1.763 40 0 CDABRO COc1cc(CCN2CC[NH+](C)CC2)cc(OC)c1OC ZINC000022859082 356623122 /nfs/dbraw/zinc/62/31/22/356623122.db2.gz YHFIBOIUDOXFTP-UHFFFAOYSA-N 1 0 294.395 1.502 40 0 CDABRO CN(Cc1cccc(F)c1)[C@]1(C)CCS(=O)(=O)C1 ZINC000575422271 356808013 /nfs/dbraw/zinc/80/80/13/356808013.db2.gz UMSBOIMVDGMZKP-CYBMUJFWSA-N 1 0 271.357 1.835 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000079407944 358069276 /nfs/dbraw/zinc/06/92/76/358069276.db2.gz IFMLFCNPENGUCS-VXGBXAGGSA-N 1 0 272.389 1.746 40 0 CDABRO CC(C)N(CC(=O)c1cccs1)C(=O)[C@H](C)[NH3+] ZINC000079436318 358070243 /nfs/dbraw/zinc/07/02/43/358070243.db2.gz URUYEZVNUOSQLE-VIFPVBQESA-N 1 0 254.355 1.515 40 0 CDABRO COc1cccc(C=O)c1OCCCN1CC[NH+](C)CC1 ZINC000019798116 358143300 /nfs/dbraw/zinc/14/33/00/358143300.db2.gz AORJUKVJWABYBJ-UHFFFAOYSA-N 1 0 292.379 1.524 40 0 CDABRO [NH3+]C[C@H](O)COCc1cccc(Cl)c1Cl ZINC000095096236 366432166 /nfs/dbraw/zinc/43/21/66/366432166.db2.gz KFPCJQQYJHKLOJ-QMMMGPOBSA-N 1 0 250.125 1.830 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100177914 358643933 /nfs/dbraw/zinc/64/39/33/358643933.db2.gz DVJJTVKEMZAVBC-TXEJJXNPSA-N 1 0 272.389 1.746 40 0 CDABRO CN1CCC2(CC[NH+](CC3CCOCC3)CC2)C1=O ZINC000096046725 358706511 /nfs/dbraw/zinc/70/65/11/358706511.db2.gz LSYPVMUBDWGXGI-UHFFFAOYSA-N 1 0 266.385 1.357 40 0 CDABRO O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](CC2CC2)C1 ZINC000096057666 358707243 /nfs/dbraw/zinc/70/72/43/358707243.db2.gz XDUYZXPRFBILFA-IACUBPJLSA-N 1 0 264.369 1.154 40 0 CDABRO Cc1noc(C[C@]23COC[C@H]2C[N@H+](Cc2ccco2)C3)n1 ZINC000096208265 358719991 /nfs/dbraw/zinc/71/99/91/358719991.db2.gz QFCLGFPFICMVFB-DOMZBBRYSA-N 1 0 289.335 1.662 40 0 CDABRO CC(=O)N1CCC2(C[C@@H](OCC[NH+]3CCCC3)CO2)CC1 ZINC000096209575 358721050 /nfs/dbraw/zinc/72/10/50/358721050.db2.gz RYRBJTXXQRZVAR-OAHLLOKOSA-N 1 0 296.411 1.269 40 0 CDABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(c1nnc(C)s1)CC2 ZINC000096220769 358722871 /nfs/dbraw/zinc/72/28/71/358722871.db2.gz VVKOOHPPVPWGNV-LBPRGKRZSA-N 1 0 296.440 1.784 40 0 CDABRO CCN1CCNC(=O)C12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096230148 358723640 /nfs/dbraw/zinc/72/36/40/358723640.db2.gz ORWNAQIVXMIYFM-UHFFFAOYSA-N 1 0 291.395 1.374 40 0 CDABRO Cn1ccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1 ZINC000293537297 370677260 /nfs/dbraw/zinc/67/72/60/370677260.db2.gz CJNNHRQUGWEFTQ-QGZVFWFLSA-N 1 0 297.402 1.958 40 0 CDABRO CC(C)(CO)[NH2+]C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000002679970 373207599 /nfs/dbraw/zinc/20/75/99/373207599.db2.gz STLOVLPNLNZBLY-AWEZNQCLSA-N 1 0 279.380 1.276 40 0 CDABRO Cc1cc(C)cc(OC[C@H](O)CN2CCC[NH2+]CC2)c1 ZINC000064875891 374240285 /nfs/dbraw/zinc/24/02/85/374240285.db2.gz HZIDOLGWYQMWHZ-OAHLLOKOSA-N 1 0 278.396 1.338 40 0 CDABRO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1C ZINC000057369364 375489411 /nfs/dbraw/zinc/48/94/11/375489411.db2.gz WAWOPVTWFWUGSL-LLVKDONJSA-N 1 0 295.383 1.381 40 0 CDABRO COCCNC(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257201448 190010865 /nfs/dbraw/zinc/01/08/65/190010865.db2.gz AHTDTGCEHYGFOD-UHFFFAOYSA-N 1 0 285.347 1.584 40 0 CDABRO Fc1ccnc(Nc2nccc([C@H]3CC[NH2+]C3)n2)c1 ZINC000257206954 190011689 /nfs/dbraw/zinc/01/16/89/190011689.db2.gz BFQQLCQODCSWRT-VIFPVBQESA-N 1 0 259.288 1.831 40 0 CDABRO Nc1cc(CC[C@@H]2CN(Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257211351 190012341 /nfs/dbraw/zinc/01/23/41/190012341.db2.gz BYOBBFMFWOJQBD-MRXNPFEDSA-N 1 0 298.390 1.892 40 0 CDABRO Cc1cc(C(=O)NCc2c[nH]c([C@H]3CC[N@@H+](C)C3)n2)no1 ZINC000257225610 190015182 /nfs/dbraw/zinc/01/51/82/190015182.db2.gz FGZOBJLIAXLURD-JTQLQIEISA-N 1 0 289.339 1.055 40 0 CDABRO Cc1cnn(CC(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)c1 ZINC000257319766 190033838 /nfs/dbraw/zinc/03/38/38/190033838.db2.gz VTZHYOZBBFVEFM-HOCLYGCPSA-N 1 0 290.411 1.715 40 0 CDABRO COC(=O)[C@H]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H](C1)[NH2+]2 ZINC000265540498 190188947 /nfs/dbraw/zinc/18/89/47/190188947.db2.gz AGHLPBBEJOPZON-BKUVIOGVSA-N 1 0 298.383 1.583 40 0 CDABRO COc1cccc(CN2CCO[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC000063527649 378304089 /nfs/dbraw/zinc/30/40/89/378304089.db2.gz GCZJWEOPCPBICK-QGZVFWFLSA-N 1 0 290.407 1.992 40 0 CDABRO C[C@@H]1CC2(CN1S(=O)(=O)CCC1CC1)CC[NH2+]CC2 ZINC000335031067 296294849 /nfs/dbraw/zinc/29/48/49/296294849.db2.gz FLYFMNHRIHOBMG-GFCCVEGCSA-N 1 0 286.441 1.580 40 0 CDABRO CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])C(=O)OC(C)(C)C ZINC000001581737 390139726 /nfs/dbraw/zinc/13/97/26/390139726.db2.gz MXDWBAYBLVBWAW-UWVGGRQHSA-N 1 0 258.362 1.206 40 0 CDABRO CC[C@@H]([C@H]([NH3+])c1ccc(N)cc1)S(=O)(=O)CC ZINC000096524939 390539735 /nfs/dbraw/zinc/53/97/35/390539735.db2.gz PIGZCAWJJHMCOH-NWDGAFQWSA-N 1 0 256.371 1.482 40 0 CDABRO CCOC(=O)[C@H](CN)C1([NH+]2CCCC2)CCCC1 ZINC000072210399 390618066 /nfs/dbraw/zinc/61/80/66/390618066.db2.gz WCHPXRHHCRGIJX-LBPRGKRZSA-N 1 0 254.374 1.533 40 0 CDABRO CC[NH+]1CCN(c2ncc(C(=O)OC)cc2C)CC1 ZINC000072222577 390623276 /nfs/dbraw/zinc/62/32/76/390623276.db2.gz HHYXZEIAUPJKNW-UHFFFAOYSA-N 1 0 263.341 1.319 40 0 CDABRO CN(C)C(=O)CCc1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072382834 390628303 /nfs/dbraw/zinc/62/83/03/390628303.db2.gz PEVVCNZKFSDSSE-AWEZNQCLSA-N 1 0 261.369 1.869 40 0 CDABRO NNc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1F ZINC000085398072 390641018 /nfs/dbraw/zinc/64/10/18/390641018.db2.gz PQEBIAFDWJORNQ-UHFFFAOYSA-N 1 0 278.678 1.894 40 0 CDABRO CC(C)N1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1=O ZINC000156600310 393175758 /nfs/dbraw/zinc/17/57/58/393175758.db2.gz XQELTOUHAUQFKC-CYBMUJFWSA-N 1 0 282.384 1.271 40 0 CDABRO CN(C)CC[N@@H+]1CCC[C@]12CCCN(c1cnccn1)C2 ZINC000096071425 398069566 /nfs/dbraw/zinc/06/95/66/398069566.db2.gz FSZJYMLHFCDXNV-INIZCTEOSA-N 1 0 289.427 1.473 40 0 CDABRO CC(C)c1nnc(CO)n1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000022056084 171350935 /nfs/dbraw/zinc/35/09/35/171350935.db2.gz LPYSKZZVODVGAC-ZACCUICWSA-N 1 0 250.346 1.349 40 0 CDABRO COc1ccccc1[C@@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000022218016 171376175 /nfs/dbraw/zinc/37/61/75/171376175.db2.gz VYATYFLJNUSCQT-MBNYWOFBSA-N 1 0 264.369 1.804 40 0 CDABRO CN(Cc1ccccc1Br)C(=O)C[NH3+] ZINC000037493504 173233603 /nfs/dbraw/zinc/23/36/03/173233603.db2.gz YFQLIZKSWQVOQL-UHFFFAOYSA-N 1 0 257.131 1.366 40 0 CDABRO CCOC(C[NH2+]CCC(=O)OC(C)(C)C)OCC ZINC000039174775 174165037 /nfs/dbraw/zinc/16/50/37/174165037.db2.gz NKCVXXGKPRBNMY-UHFFFAOYSA-N 1 0 261.362 1.707 40 0 CDABRO [NH3+]CC1CN([C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952188 174177182 /nfs/dbraw/zinc/17/71/82/174177182.db2.gz IMJNDWDQGGGJDF-HNNXBMFYSA-N 1 0 289.379 1.288 40 0 CDABRO Cc1nc(NCCc2cnccn2)cc(C2CC[NH2+]CC2)n1 ZINC000072365349 176380620 /nfs/dbraw/zinc/38/06/20/176380620.db2.gz QSAVMLGJTSAFCC-UHFFFAOYSA-N 1 0 298.394 1.697 40 0 CDABRO C[NH+](C)CC[C@@H]1CCCN(C(=O)c2cscn2)C1 ZINC000072368644 176383834 /nfs/dbraw/zinc/38/38/34/176383834.db2.gz BKWOEUBGAXOMGR-NSHDSACASA-N 1 0 267.398 1.947 40 0 CDABRO Cc1cc(Nc2ncccn2)nc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000072382345 176387916 /nfs/dbraw/zinc/38/79/16/176387916.db2.gz CYAXKUDIPZLWFH-LLVKDONJSA-N 1 0 270.340 1.738 40 0 CDABRO Nc1ccc(C[C@H]2CCC[N@H+](CCc3ccncc3)C2)nn1 ZINC000072387354 176392619 /nfs/dbraw/zinc/39/26/19/176392619.db2.gz WPQCZGPNYCFSBM-OAHLLOKOSA-N 1 0 297.406 1.951 40 0 CDABRO CCN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)C[NH3+] ZINC000079390856 177474745 /nfs/dbraw/zinc/47/47/45/177474745.db2.gz ANOXUUNEAADVOD-LLVKDONJSA-N 1 0 285.388 1.051 40 0 CDABRO CCCNc1ncc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000062717683 262302372 /nfs/dbraw/zinc/30/23/72/262302372.db2.gz VNRSDTGKFNJJOP-LBPRGKRZSA-N 1 0 250.346 1.567 40 0 CDABRO COCCNC(=O)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096241607 265345789 /nfs/dbraw/zinc/34/57/89/265345789.db2.gz NTHMCYXSYKADPC-UHFFFAOYSA-N 1 0 286.375 1.467 40 0 CDABRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000074192115 276321974 /nfs/dbraw/zinc/32/19/74/276321974.db2.gz CHAWOHXHWYAVAW-OAHLLOKOSA-N 1 0 276.380 1.928 40 0 CDABRO CN1CC[NH+]([C@@H]2CCCc3ccccc3[C@@H]2O)CC1 ZINC000019366349 277111039 /nfs/dbraw/zinc/11/10/39/277111039.db2.gz PKTNMCFYIQOHGV-CVEARBPZSA-N 1 0 260.381 1.672 40 0 CDABRO CO[C@H]1C[N@H+](CC2CCOCC2)[C@@H]2CCCO[C@@H]21 ZINC000096057423 277343767 /nfs/dbraw/zinc/34/37/67/277343767.db2.gz OXRJCVGSQWTRCU-RDBSUJKOSA-N 1 0 255.358 1.291 40 0 CDABRO CN(C)C(=O)N1Cc2ccnn2[C@H](C[NH+]2CCCC2)C1 ZINC000306144757 281958027 /nfs/dbraw/zinc/95/80/27/281958027.db2.gz ZNUBMQKQYRTPFX-CYBMUJFWSA-N 1 0 277.372 1.017 40 0 CDABRO CC(C)CC[NH2+]C1(Cc2cc(C(C)(C)O)on2)COC1 ZINC001772595167 1159315021 /nfs/dbraw/zinc/31/50/21/1159315021.db2.gz SKDSEHIBOXUUQN-UHFFFAOYSA-N 1 0 282.384 1.849 40 0 CDABRO CC(C)OC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900615556 623301350 /nfs/dbraw/zinc/30/13/50/623301350.db2.gz BAULUDCSJMLNIC-UHFFFAOYSA-N 1 0 266.385 1.498 40 0 CDABRO CN(CCN1CCOC1=O)Cc1nc2ccccc2n1C ZINC000083219608 342450430 /nfs/dbraw/zinc/45/04/30/342450430.db2.gz IILMITNAICDWMA-UHFFFAOYSA-N 1 0 288.351 1.457 40 0 CDABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096039321 185069440 /nfs/dbraw/zinc/06/94/40/185069440.db2.gz WPFGANVDWNSCQZ-JKSUJKDBSA-N 1 0 293.411 1.828 40 0 CDABRO COc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)CNC(=O)[C@H]2C ZINC000096043664 185070417 /nfs/dbraw/zinc/07/04/17/185070417.db2.gz NUIOZBBHYZBHMY-UBHSHLNASA-N 1 0 274.364 1.509 40 0 CDABRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+](CC1CC1)C2 ZINC000096048725 185073618 /nfs/dbraw/zinc/07/36/18/185073618.db2.gz ZLQIOQIMNNBPKX-MRXNPFEDSA-N 1 0 286.379 1.706 40 0 CDABRO CN(C)C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC000096055844 185076120 /nfs/dbraw/zinc/07/61/20/185076120.db2.gz DCLIQPWIOUGKGS-UONOGXRCSA-N 1 0 274.368 1.412 40 0 CDABRO CC(C)(C)OC(=O)N1CCN([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000409438467 342169608 /nfs/dbraw/zinc/16/96/08/342169608.db2.gz CTIHUAFFLVLLSJ-STQMWFEESA-N 1 0 283.416 1.809 40 0 CDABRO OC[C@@H]1CCn2nccc2CN1Cc1ccccn1 ZINC000585097237 342211919 /nfs/dbraw/zinc/21/19/19/342211919.db2.gz IZUAXLQMXCVTCA-AWEZNQCLSA-N 1 0 258.325 1.045 40 0 CDABRO COCC[N@@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099630 342212160 /nfs/dbraw/zinc/21/21/60/342212160.db2.gz SYWURVDQSPYVEB-CQSZACIVSA-N 1 0 295.408 1.214 40 0 CDABRO CC[C@H](C)N1C[C@]2(CCCN(Cc3nccn3C)C2)C1=O ZINC000585099359 342212276 /nfs/dbraw/zinc/21/22/76/342212276.db2.gz HMFNBGVAGBXIIB-XJKSGUPXSA-N 1 0 290.411 1.643 40 0 CDABRO CNC(=O)[C@]1(C)CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000585263090 342250761 /nfs/dbraw/zinc/25/07/61/342250761.db2.gz JOHICPVQVQRHTC-CQSZACIVSA-N 1 0 268.401 1.530 40 0 CDABRO CN(C)c1nc([C@H]2CCC[N@H+](CCO)C2)cn2cccc12 ZINC000585178752 342232526 /nfs/dbraw/zinc/23/25/26/342232526.db2.gz FUWQQVAGUJYVDM-ZDUSSCGKSA-N 1 0 288.395 1.572 40 0 CDABRO [NH3+]CCS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000044249549 539083502 /nfs/dbraw/zinc/08/35/02/539083502.db2.gz WFCKQHPPOPCVPE-UHFFFAOYSA-N 1 0 269.244 1.318 40 0 CDABRO OCC[N@@H+]1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 ZINC000585269454 342255543 /nfs/dbraw/zinc/25/55/43/342255543.db2.gz VBTDTKHCWOBZFD-KBPBESRZSA-N 1 0 253.317 1.186 40 0 CDABRO CNC(=O)CC[C@]1(OC)CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000585277693 342256370 /nfs/dbraw/zinc/25/63/70/342256370.db2.gz WZDZXPYPALZYRF-OAHLLOKOSA-N 1 0 294.399 1.225 40 0 CDABRO CO[C@]1(CCC(N)=O)CCC[N@H+](Cc2ccc(C)nc2)C1 ZINC000585277708 342256420 /nfs/dbraw/zinc/25/64/20/342256420.db2.gz XEITYOHVSKFRFU-INIZCTEOSA-N 1 0 291.395 1.637 40 0 CDABRO Cc1nn(C)cc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000148888703 136393268 /nfs/dbraw/zinc/39/32/68/136393268.db2.gz RGXJXCLVROWLNL-AWEZNQCLSA-N 1 0 286.383 1.277 40 0 CDABRO CS[C@H](C)CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000136172484 362311096 /nfs/dbraw/zinc/31/10/96/362311096.db2.gz UMOVNOLSZYBACU-ZWNOBZJWSA-N 1 0 264.394 1.741 40 0 CDABRO C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000091212123 180112178 /nfs/dbraw/zinc/11/21/78/180112178.db2.gz QNMXOMKUYYRTMR-HNNXBMFYSA-N 1 0 298.390 1.830 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[NH2+]CCOC2 ZINC000091303574 180130255 /nfs/dbraw/zinc/13/02/55/180130255.db2.gz WXMRPDPSEFQHSX-AWEZNQCLSA-N 1 0 270.373 1.624 40 0 CDABRO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@H]2CCOC2)cn1 ZINC000107200023 186162802 /nfs/dbraw/zinc/16/28/02/186162802.db2.gz WBWFCBSQCFUTSX-BMFZPTHFSA-N 1 0 290.411 1.105 40 0 CDABRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCN(C)C1=O ZINC000136449260 363079766 /nfs/dbraw/zinc/07/97/66/363079766.db2.gz NNIKQRNRXYDFIM-RISCZKNCSA-N 1 0 262.353 1.534 40 0 CDABRO COCCC[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000001668546 355945019 /nfs/dbraw/zinc/94/50/19/355945019.db2.gz ZTTZMISBNKKMHZ-UHFFFAOYSA-N 1 0 250.342 1.868 40 0 CDABRO CC(C)(C)[NH2+]C[C@H](O)COC[C@H]1COc2ccccc2O1 ZINC000003623549 356007999 /nfs/dbraw/zinc/00/79/99/356007999.db2.gz ZJWWWCZRROHPDH-STQMWFEESA-N 1 0 295.379 1.592 40 0 in-man CDABRO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000042560511 356073746 /nfs/dbraw/zinc/07/37/46/356073746.db2.gz FVLUBQWBASQZJM-WDEREUQCSA-N 1 0 250.342 1.437 40 0 CDABRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012396459 356297798 /nfs/dbraw/zinc/29/77/98/356297798.db2.gz FQHLJVSSOPTSPG-GFCCVEGCSA-N 1 0 251.330 1.195 40 0 CDABRO COc1cccc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3C2)c1 ZINC000012733126 356320849 /nfs/dbraw/zinc/32/08/49/356320849.db2.gz NZLYXHUFIWKEMP-UHFFFAOYSA-N 1 0 285.347 1.645 40 0 CDABRO [NH3+]CC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000032128727 356833219 /nfs/dbraw/zinc/83/32/19/356833219.db2.gz WJGFPPGZWLWORH-UHFFFAOYSA-N 1 0 283.169 1.899 40 0 CDABRO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000034924577 356822895 /nfs/dbraw/zinc/82/28/95/356822895.db2.gz QMRMMPBZQUCAHR-KJPMQGKISA-N 1 0 286.422 1.324 40 0 CDABRO CN(C(=O)C[NH3+])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079390831 356988552 /nfs/dbraw/zinc/98/85/52/356988552.db2.gz RFPRTBTZPXIJMC-UHFFFAOYSA-N 1 0 285.388 1.239 40 0 CDABRO [NH3+]CCO[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079390656 356988574 /nfs/dbraw/zinc/98/85/74/356988574.db2.gz XVKZNEHCHAVVLN-CQSZACIVSA-N 1 0 278.352 1.763 40 0 CDABRO CC(C)N(Cc1ccc(Cl)nn1)C(=O)[C@H](C)[NH3+] ZINC000079435869 356996151 /nfs/dbraw/zinc/99/61/51/356996151.db2.gz AMTVDHQZQCXXKZ-QMMMGPOBSA-N 1 0 256.737 1.214 40 0 CDABRO COc1ccc(C)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000074861070 357928853 /nfs/dbraw/zinc/92/88/53/357928853.db2.gz ALBBDTJGLWZKII-UHFFFAOYSA-N 1 0 298.408 1.376 40 0 CDABRO CNC(=O)NC(=O)CC[N@H+](C)C1CCCCCC1 ZINC000040057122 283345120 /nfs/dbraw/zinc/34/51/20/283345120.db2.gz ROIZELHJGXPVBW-UHFFFAOYSA-N 1 0 255.362 1.487 40 0 CDABRO CC(C)[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000072685599 358563764 /nfs/dbraw/zinc/56/37/64/358563764.db2.gz QMOAVJOSEMEHCD-KBPBESRZSA-N 1 0 298.427 1.512 40 0 CDABRO NC(=[NH2+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000203598503 358636949 /nfs/dbraw/zinc/63/69/49/358636949.db2.gz QCUCHJQFGUVWFF-SNVBAGLBSA-N 1 0 267.354 1.023 40 0 CDABRO CO[C@H]1CCN(CC[NH+]2CCCC2)[C@H]1Cc1cnn(C)c1 ZINC000096200618 358718217 /nfs/dbraw/zinc/71/82/17/358718217.db2.gz KCGDAQYTWPXXGV-HOTGVXAUSA-N 1 0 292.427 1.148 40 0 CDABRO Cn1ccnc1CN1CC2(C1)CC[N@H+](Cc1ccncc1)C2 ZINC000096202553 358719241 /nfs/dbraw/zinc/71/92/41/358719241.db2.gz BBAQZORJGIILNX-UHFFFAOYSA-N 1 0 297.406 1.523 40 0 CDABRO O=C(NC[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ccccc1 ZINC000096208720 358720013 /nfs/dbraw/zinc/72/00/13/358720013.db2.gz HDCFGFDFRWAXSQ-GOEBONIOSA-N 1 0 274.364 1.718 40 0 CDABRO CN1CC[N@H+](Cc2cccs2)C[C@]2(CCCC(=O)N2)C1 ZINC000096238338 358723928 /nfs/dbraw/zinc/72/39/28/358723928.db2.gz WJVRXZLBNFFSDE-HNNXBMFYSA-N 1 0 293.436 1.534 40 0 CDABRO CC[N@@H+]1CCOC[C@@]2(CCCN(c3nncs3)C2)C1 ZINC000096229357 358724165 /nfs/dbraw/zinc/72/41/65/358724165.db2.gz GJLTVYVIORXLQH-ZDUSSCGKSA-N 1 0 282.413 1.477 40 0 CDABRO c1nnc(N2C[C@H]3CC[N@@H+](CC4CC4)C[C@@H]3C2)s1 ZINC000096249177 358726893 /nfs/dbraw/zinc/72/68/93/358726893.db2.gz OFWHCFDXGDSYQG-VXGBXAGGSA-N 1 0 264.398 1.706 40 0 CDABRO O=C(Cc1cccnc1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC000096268303 358730313 /nfs/dbraw/zinc/73/03/13/358730313.db2.gz LLPWAKXHSFMQCE-IRXDYDNUSA-N 1 0 293.370 1.722 40 0 CDABRO [NH3+][C@@]12C[C@H]3C[C@@H](C1)C[C@](n1cnc(Cl)n1)(C3)C2 ZINC000217367940 358996438 /nfs/dbraw/zinc/99/64/38/358996438.db2.gz XNDSAQJNRNFACM-CDJYRKNRSA-N 1 0 252.749 1.938 40 0 CDABRO S=C(NCCC[NH+]1CCCC1)Nc1cccnc1 ZINC000225435287 359589024 /nfs/dbraw/zinc/58/90/24/359589024.db2.gz DLHWREPTOOXFEP-UHFFFAOYSA-N 1 0 264.398 1.854 40 0 CDABRO C[N@H+](CCNc1ncnc2nc[nH]c21)Cc1ccccc1 ZINC000000213922 364095357 /nfs/dbraw/zinc/09/53/57/364095357.db2.gz MPRFAIWXWQJZEY-UHFFFAOYSA-N 1 0 282.351 1.897 40 0 CDABRO CCOC[C@@]1([NH3+])C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217993183 367259953 /nfs/dbraw/zinc/25/99/53/367259953.db2.gz ROTMIRMNNONLBQ-OLZOCXBDSA-N 1 0 269.366 1.275 40 0 CDABRO COc1ccccc1OC[C@@H](C)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000225485378 189754382 /nfs/dbraw/zinc/75/43/82/189754382.db2.gz LXAUUNWICKZBSW-QWHCGFSZSA-N 1 0 292.379 1.578 40 0 CDABRO CCOC(=O)c1cc(N)ccc1N1CC[NH+](CC)CC1 ZINC000041082241 372916361 /nfs/dbraw/zinc/91/63/61/372916361.db2.gz KPGSEKWVKSSZQR-UHFFFAOYSA-N 1 0 277.368 1.587 40 0 CDABRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=[NH2+])cc1 ZINC000203555701 373616072 /nfs/dbraw/zinc/61/60/72/373616072.db2.gz XGYVZGTUTNVMIJ-NSHDSACASA-N 1 0 267.354 1.084 40 0 CDABRO CC(C)C[C@H]([NH3+])C(=O)N1CCS[C@H](C(C)C)C1 ZINC000225474571 374481988 /nfs/dbraw/zinc/48/19/88/374481988.db2.gz SQAKFDPPLYVQGA-RYUDHWBXSA-N 1 0 258.431 1.960 40 0 CDABRO CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000225720304 375189624 /nfs/dbraw/zinc/18/96/24/375189624.db2.gz NNBIPYOTTADLRA-CQSZACIVSA-N 1 0 270.417 1.896 40 0 CDABRO C[C@H]1[NH2+]CC=CC[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000257198174 190010430 /nfs/dbraw/zinc/01/04/30/190010430.db2.gz VFDWHCQCCOTDNK-RISCZKNCSA-N 1 0 262.328 1.996 40 0 CDABRO COc1ccc(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217558791 375671235 /nfs/dbraw/zinc/67/12/35/375671235.db2.gz KLZLZEQSSWFNIS-GFCCVEGCSA-N 1 0 295.346 1.877 40 0 CDABRO Cc1cc(CC2CCN(C(=O)C[NH+](C)C)CC2)ccn1 ZINC000257214864 190013467 /nfs/dbraw/zinc/01/34/67/190013467.db2.gz CNTNGRNYLWDANB-UHFFFAOYSA-N 1 0 275.396 1.733 40 0 CDABRO CC(C)([NH3+])C(=O)N1CCO[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000257224970 190015695 /nfs/dbraw/zinc/01/56/95/190015695.db2.gz FEEDAWLVXSWWFA-ZDUSSCGKSA-N 1 0 296.798 1.847 40 0 CDABRO CN(C)c1ncc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)cn1 ZINC000257225594 190015751 /nfs/dbraw/zinc/01/57/51/190015751.db2.gz FGXOYQRMILCGRT-LBPRGKRZSA-N 1 0 272.356 1.255 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc3c(s2)CCC3)C1 ZINC000257229695 190016039 /nfs/dbraw/zinc/01/60/39/190016039.db2.gz FZEJHGPTVZSCGE-HNNXBMFYSA-N 1 0 294.420 1.375 40 0 CDABRO C[NH+]1CCC(N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257260957 190021996 /nfs/dbraw/zinc/02/19/96/190021996.db2.gz LFESSZWKKMRGCQ-HZPDHXFCSA-N 1 0 294.370 1.344 40 0 CDABRO Cc1ncc(-c2nccnc2CC2CC[NH2+]CC2)n1C ZINC000257291151 190027920 /nfs/dbraw/zinc/02/79/20/190027920.db2.gz QFWVSGFDGAGMGH-UHFFFAOYSA-N 1 0 271.368 1.728 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000257301704 190030063 /nfs/dbraw/zinc/03/00/63/190030063.db2.gz RZMXRNKDQWNKJV-KRWDZBQOSA-N 1 0 299.374 1.373 40 0 CDABRO O=C([C@H]1CCCO1)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426472 284557188 /nfs/dbraw/zinc/55/71/88/284557188.db2.gz BXWAOZFKYDPKHU-TZMCWYRMSA-N 1 0 252.358 1.158 40 0 CDABRO Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)o1 ZINC000331018201 376390236 /nfs/dbraw/zinc/39/02/36/376390236.db2.gz IDVGHJMZKGTOQN-GFCCVEGCSA-N 1 0 288.413 1.843 40 0 CDABRO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000306124946 285074690 /nfs/dbraw/zinc/07/46/90/285074690.db2.gz CCTOPIBNKMBDMB-ZFWWWQNUSA-N 1 0 286.356 1.591 40 0 CDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1Br ZINC000067173322 291909909 /nfs/dbraw/zinc/90/99/09/291909909.db2.gz MTPGTGKQVPJNAH-ZJUUUORDSA-N 1 0 284.153 1.925 40 0 CDABRO COCC[C@H]1CO[C@@]2(CC[N@H+](Cc3[nH]cnc3C)C2)C1 ZINC000107784980 390587072 /nfs/dbraw/zinc/58/70/72/390587072.db2.gz ANNNFYNOQVMSNQ-HIFRSBDPSA-N 1 0 279.384 1.736 40 0 CDABRO CCOc1ncc([C@H](C[NH3+])N2CCCCC2)cn1 ZINC000096511163 390530837 /nfs/dbraw/zinc/53/08/37/390530837.db2.gz ZWVDQHMAORFMRH-LBPRGKRZSA-N 1 0 250.346 1.361 40 0 CDABRO [NH3+][C@@H](c1ccccc1)c1ccc(N2CCOCC2)nc1 ZINC000072225497 390623225 /nfs/dbraw/zinc/62/32/25/390623225.db2.gz SCRARXAUOMSNLA-INIZCTEOSA-N 1 0 269.348 1.966 40 0 CDABRO C[NH2+]Cc1cnc(I)c(C)c1 ZINC000072225968 390625882 /nfs/dbraw/zinc/62/58/82/390625882.db2.gz BTJRRBWGLMGMJW-UHFFFAOYSA-N 1 0 262.094 1.714 40 0 CDABRO COc1cccc(-c2ccc(N3CC[NH2+]CC3)nn2)c1 ZINC000070458473 390606382 /nfs/dbraw/zinc/60/63/82/390606382.db2.gz OFVZVZOFEMFJGY-UHFFFAOYSA-N 1 0 270.336 1.562 40 0 CDABRO COc1ccc(-c2ccc(N3CC[NH2+]CC3)nn2)cc1 ZINC000070458408 390606660 /nfs/dbraw/zinc/60/66/60/390606660.db2.gz UXFDARKYXRZXAI-UHFFFAOYSA-N 1 0 270.336 1.562 40 0 CDABRO CNc1ncc(C[NH2+]CCc2ccc(OC)cc2)cn1 ZINC000062717458 391570884 /nfs/dbraw/zinc/57/08/84/391570884.db2.gz KICPQMHXQYHMKZ-UHFFFAOYSA-N 1 0 272.352 1.859 40 0 CDABRO CC(=O)NC1CCC([NH2+][C@@H]2CCCCC[C@H]2CO)CC1 ZINC000133577281 413118926 /nfs/dbraw/zinc/11/89/26/413118926.db2.gz MNECSVLOXBVPKF-SLTXQBBLSA-N 1 0 282.428 1.965 40 0 CDABRO C[C@@H](O)C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC000096073087 287086897 /nfs/dbraw/zinc/08/68/97/287086897.db2.gz FMFLOJUJFIGFMW-TZMCWYRMSA-N 1 0 269.385 1.417 40 0 CDABRO CC[C@@H](O)[C@@](CC[NH+](C)C)(C(=O)N(C)C)c1ccccc1 ZINC000001717957 169749676 /nfs/dbraw/zinc/74/96/76/169749676.db2.gz WYRJVVKSPJCNHZ-WBVHZDCISA-N 1 0 292.423 1.735 40 0 CDABRO COc1cc(OC)c(OC)cc1C[NH2+]C(C)(C)CO ZINC000006883119 170252654 /nfs/dbraw/zinc/25/26/54/170252654.db2.gz GVDDUOKRPNLQLI-UHFFFAOYSA-N 1 0 269.341 1.573 40 0 CDABRO NC(=O)c1cc2ccccc2nc1[C@@H]1CCC[NH2+]C1 ZINC000019376218 170778503 /nfs/dbraw/zinc/77/85/03/170778503.db2.gz IXKCMSLOXNBRBH-LLVKDONJSA-N 1 0 255.321 1.801 40 0 CDABRO CC1CCN(C(=O)COc2ccc(C[NH3+])cc2)CC1 ZINC000021955392 171341613 /nfs/dbraw/zinc/34/16/13/171341613.db2.gz KAXOJGNMKUFSHF-UHFFFAOYSA-N 1 0 262.353 1.783 40 0 CDABRO CN[C@H](C[NH2+]C)c1cc(OC)c(OC)c(OC)c1 ZINC000022873542 171401716 /nfs/dbraw/zinc/40/17/16/171401716.db2.gz VJQMNTDXOIDVGX-SNVBAGLBSA-N 1 0 254.330 1.192 40 0 CDABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[NH2+]C2 ZINC000023509065 171423147 /nfs/dbraw/zinc/42/31/47/171423147.db2.gz KBAAUFFHENERPW-HNNXBMFYSA-N 1 0 262.328 1.928 40 0 CDABRO CNC(=O)c1cccc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072355748 176374976 /nfs/dbraw/zinc/37/49/76/176374976.db2.gz NEENHGMLKXTOCK-HNNXBMFYSA-N 1 0 289.379 1.757 40 0 CDABRO O=C(NCc1cccnc1)c1ccnc(C2CC[NH2+]CC2)c1 ZINC000072365616 176380594 /nfs/dbraw/zinc/38/05/94/176380594.db2.gz MLIGMTZWOTVFSJ-UHFFFAOYSA-N 1 0 296.374 1.874 40 0 CDABRO CC(C)c1nc2ccccc2c2nn(CC[NH+](C)C)c(=O)n21 ZINC000072373641 176384730 /nfs/dbraw/zinc/38/47/30/176384730.db2.gz NVLKCMZKXCPTKX-UHFFFAOYSA-N 1 0 299.378 1.729 40 0 CDABRO O=C(NC1CCCC1)c1cc([C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000072380019 176387074 /nfs/dbraw/zinc/38/70/74/176387074.db2.gz BLEDDTCGRYRADK-SNVBAGLBSA-N 1 0 262.357 1.549 40 0 CDABRO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[NH2+]2)n1 ZINC000072382158 176388161 /nfs/dbraw/zinc/38/81/61/176388161.db2.gz YYYAOJGFSXROAB-SNVBAGLBSA-N 1 0 256.313 1.743 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(Cl)c1 ZINC000072397649 176394946 /nfs/dbraw/zinc/39/49/46/176394946.db2.gz ITXBMAQQUQPOCO-BYCMXARLSA-N 1 0 280.799 1.979 40 0 CDABRO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000077008544 177144812 /nfs/dbraw/zinc/14/48/12/177144812.db2.gz WZDDERZVUPGCGW-ZIAGYGMSSA-N 1 0 294.395 1.319 40 0 CDABRO CNC(=O)c1cccc(CCNC(=O)C[N@H+](C)C(C)C)c1 ZINC000077124464 177226922 /nfs/dbraw/zinc/22/69/22/177226922.db2.gz QPPYYFFEMLYKNR-UHFFFAOYSA-N 1 0 291.395 1.045 40 0 CDABRO OCC[NH+]1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000051692431 275047215 /nfs/dbraw/zinc/04/72/15/275047215.db2.gz UTZYRHHQVYNDFF-UHFFFAOYSA-N 1 0 274.286 1.820 40 0 CDABRO O=c1[nH]c(N2CC[N@@H+]3CCC[C@@H]3C2)nc2ccccc21 ZINC000072207522 275062040 /nfs/dbraw/zinc/06/20/40/275062040.db2.gz WIGUXPUMEWFJAL-LLVKDONJSA-N 1 0 270.336 1.620 40 0 CDABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ncc[nH]1 ZINC000257254073 278063193 /nfs/dbraw/zinc/06/31/93/278063193.db2.gz KBLKKOQPMYUKIY-CYBMUJFWSA-N 1 0 272.352 1.565 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079409234 279299455 /nfs/dbraw/zinc/29/94/55/279299455.db2.gz MCQMFGSUHDOVEN-NSHDSACASA-N 1 0 285.388 1.192 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079409229 279299474 /nfs/dbraw/zinc/29/94/74/279299474.db2.gz MCQMFGSUHDOVEN-LLVKDONJSA-N 1 0 285.388 1.192 40 0 CDABRO CC(C)(C[NH3+])N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000252485760 333184810 /nfs/dbraw/zinc/18/48/10/333184810.db2.gz HDFHGJPSGPQBTL-NEPJUHHUSA-N 1 0 261.369 1.005 40 0 CDABRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cn(C)nn1 ZINC000235546566 525818087 /nfs/dbraw/zinc/81/80/87/525818087.db2.gz BROGULXAPOOAFX-WCQYABFASA-N 1 0 252.362 1.331 40 0 CDABRO C[NH+](C)CC1(O)CCN(c2ncncc2Cl)CC1 ZINC000710620220 757857746 /nfs/dbraw/zinc/85/77/46/757857746.db2.gz AAVMSVYTPPDAFM-UHFFFAOYSA-N 1 0 270.764 1.023 40 0 CDABRO Cn1nc(C(F)(F)F)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923382509 923794991 /nfs/dbraw/zinc/79/49/91/923794991.db2.gz ZMRZQHADKZTURB-GFCCVEGCSA-N 1 0 288.317 1.767 40 0 CDABRO CC[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1OC)c1ccc(OC)cc1 ZINC001548448182 967501352 /nfs/dbraw/zinc/50/13/52/967501352.db2.gz SCBATRITYQFNPX-SOUVJXGZSA-N 1 0 292.379 1.292 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)c(SC)c1 ZINC001548448176 967501576 /nfs/dbraw/zinc/50/15/76/967501576.db2.gz RVWNWKQMOXIGDM-WDEREUQCSA-N 1 0 284.356 1.264 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2nc(C)ccc2c1 ZINC001548448111 969414662 /nfs/dbraw/zinc/41/46/62/969414662.db2.gz LQANVXXQCUTHFK-HUUCEWRRSA-N 1 0 285.347 1.260 40 0 CDABRO CC(C)[NH2+]C[C@@H]1OCCc2cn(CC3CCOCC3)nc21 ZINC000096044427 185071694 /nfs/dbraw/zinc/07/16/94/185071694.db2.gz NOHGOVSCVFPAFT-HNNXBMFYSA-N 1 0 293.411 1.922 40 0 CDABRO CO[C@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096048133 185072290 /nfs/dbraw/zinc/07/22/90/185072290.db2.gz ZCQAYLMQZMGSEF-CYBMUJFWSA-N 1 0 265.357 1.190 40 0 CDABRO O=C1CC[C@@]2(CCC[N@H+](Cc3cccnc3)CC2)N1 ZINC000096047458 185073017 /nfs/dbraw/zinc/07/30/17/185073017.db2.gz UQWFFBMPUQGSAT-OAHLLOKOSA-N 1 0 259.353 1.716 40 0 CDABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC000096056493 185077736 /nfs/dbraw/zinc/07/77/36/185077736.db2.gz HDKUMMVNROSAKJ-HUUCEWRRSA-N 1 0 289.379 1.293 40 0 CDABRO C[C@@H]1NC(=O)COC12CC[NH+](Cc1ccsc1)CC2 ZINC000096062191 185082354 /nfs/dbraw/zinc/08/23/54/185082354.db2.gz ZSHXJBDHKCQALK-NSHDSACASA-N 1 0 280.393 1.618 40 0 CDABRO CC[N@@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096066313 185083936 /nfs/dbraw/zinc/08/39/36/185083936.db2.gz BLACWVBGXDASPP-YUTCNCBUSA-N 1 0 275.352 1.519 40 0 CDABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)N(C)C)[C@@H]2C ZINC000096087585 185093355 /nfs/dbraw/zinc/09/33/55/185093355.db2.gz GLQQSWBMDPCPHT-GFCCVEGCSA-N 1 0 293.415 1.782 40 0 CDABRO Cn1cc(CN2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cn1 ZINC000096110629 185100988 /nfs/dbraw/zinc/10/09/88/185100988.db2.gz JNNFXHYLKZATFK-IAGOWNOFSA-N 1 0 297.406 1.379 40 0 CDABRO CN1C[C@H]2CC[N@H+](Cc3ccccc3)CC[C@H]2S1(=O)=O ZINC000096145587 185106212 /nfs/dbraw/zinc/10/62/12/185106212.db2.gz PUAWBAJYSOXXFC-HUUCEWRRSA-N 1 0 294.420 1.542 40 0 CDABRO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCC[N@@H+]1C ZINC000585180137 342232569 /nfs/dbraw/zinc/23/25/69/342232569.db2.gz LYEKQFXKCBKZEO-GFCCVEGCSA-N 1 0 287.367 1.588 40 0 CDABRO CCOCC[N@@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269282 342254609 /nfs/dbraw/zinc/25/46/09/342254609.db2.gz OGJHOKAUMVUZFJ-MRXNPFEDSA-N 1 0 279.380 1.929 40 0 CDABRO C[C@@]1(C(N)=O)CCC[N@H+](CC2(O)CCCCCC2)C1 ZINC000585283337 342258524 /nfs/dbraw/zinc/25/85/24/342258524.db2.gz NODBLQHMPRQFHW-CQSZACIVSA-N 1 0 268.401 1.659 40 0 CDABRO Cc1nccc([C@H]2CCCN(C(=O)C3([NH3+])CCCC3)C2)n1 ZINC000257219546 282191436 /nfs/dbraw/zinc/19/14/36/282191436.db2.gz DHEXJSCBJIDENT-ZDUSSCGKSA-N 1 0 288.395 1.763 40 0 CDABRO C(C[C@H]1CCOC12CC[NH2+]CC2)OCC1CCOCC1 ZINC000247905288 362138446 /nfs/dbraw/zinc/13/84/46/362138446.db2.gz WYHCUPOIDGOWPZ-HNNXBMFYSA-N 1 0 283.412 1.978 40 0 CDABRO CC[NH+](CC)C[C@@H]1CN(C(C)C)Cc2cncn21 ZINC000248179018 362156669 /nfs/dbraw/zinc/15/66/69/362156669.db2.gz XKQXLCHNYIPLEY-CQSZACIVSA-N 1 0 250.390 1.990 40 0 CDABRO C[NH+](C)Cc1nccnc1C1CCN(c2cnccn2)CC1 ZINC000257218041 362578393 /nfs/dbraw/zinc/57/83/93/362578393.db2.gz DBPVSVLNUVPVEO-UHFFFAOYSA-N 1 0 298.394 1.712 40 0 CDABRO CCOC(=O)C1=C(C)NC(=[NH2+])N[C@H]1c1ccccc1 ZINC000006349560 348730060 /nfs/dbraw/zinc/73/00/60/348730060.db2.gz DSISVHMNQRQRHJ-LBPRGKRZSA-N 1 0 259.309 1.692 40 0 CDABRO C[NH2+][C@@H]1COc2c(cc(Br)cc2OC)C1 ZINC000090505521 179994560 /nfs/dbraw/zinc/99/45/60/179994560.db2.gz LOPJEPQRPQSCPC-VIFPVBQESA-N 1 0 272.142 1.981 40 0 CDABRO CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000195548692 363455033 /nfs/dbraw/zinc/45/50/33/363455033.db2.gz MZVJHTPKRWYCOF-XVIXHAIJSA-N 1 0 271.426 1.835 40 0 CDABRO CC[NH2+]CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000001669920 355946182 /nfs/dbraw/zinc/94/61/82/355946182.db2.gz VFEXFEWSVWZFOW-UHFFFAOYSA-N 1 0 250.298 1.411 40 0 CDABRO COC(=O)[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000012648533 356315779 /nfs/dbraw/zinc/31/57/79/356315779.db2.gz QHQABJVSGUGKSW-WDEREUQCSA-N 1 0 286.372 1.395 40 0 CDABRO CCOC[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(C)C ZINC000233738257 356386026 /nfs/dbraw/zinc/38/60/26/356386026.db2.gz HJPBZUMYQQUWSG-GFCCVEGCSA-N 1 0 266.389 1.765 40 0 CDABRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(C(F)(F)F)cc1 ZINC000017039530 356452408 /nfs/dbraw/zinc/45/24/08/356452408.db2.gz ROTRAHDYGVFVQU-UHFFFAOYSA-N 1 0 285.273 1.891 40 0 CDABRO Cc1nnc2n1[C@H]1C[N@@H+](Cc3cnc(C)nc3)C[C@H]1CC2 ZINC000019287267 356479926 /nfs/dbraw/zinc/47/99/26/356479926.db2.gz WBLUHGYFZNCPIW-KGLIPLIRSA-N 1 0 284.367 1.304 40 0 CDABRO CCc1ncc(C[N@@H+]2CCCC[C@H]2CCNC(C)=O)cn1 ZINC000019745880 356498851 /nfs/dbraw/zinc/49/88/51/356498851.db2.gz DLLITCOBJWUFFJ-HNNXBMFYSA-N 1 0 290.411 1.920 40 0 CDABRO CC[C@H](OC[C@@H](O)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000022030806 356597914 /nfs/dbraw/zinc/59/79/14/356597914.db2.gz CPMNUFSZWYXFOX-IRXDYDNUSA-N 1 0 292.423 1.763 40 0 CDABRO CCc1ccccc1O[C@@H](C)C(=O)NCC[NH+](C)C ZINC000030866113 356755373 /nfs/dbraw/zinc/75/53/73/356755373.db2.gz TXRJEZMFBDFDKG-LBPRGKRZSA-N 1 0 264.369 1.694 40 0 CDABRO COc1ccccc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000039325684 356972203 /nfs/dbraw/zinc/97/22/03/356972203.db2.gz PTVOCOVXAHRBLC-GFCCVEGCSA-N 1 0 298.408 1.314 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391378 356988314 /nfs/dbraw/zinc/98/83/14/356988314.db2.gz JOOPLKRJCWQSCG-LBPRGKRZSA-N 1 0 299.415 1.485 40 0 CDABRO CCN(CC1CCN(C(=O)C[NH3+])CC1)C(=O)OC(C)(C)C ZINC000079409192 356992460 /nfs/dbraw/zinc/99/24/60/356992460.db2.gz MTVVYAIMGHISPU-UHFFFAOYSA-N 1 0 299.415 1.441 40 0 CDABRO O=C(Nc1cccc(Cn2ccnc2)c1)[C@@H]1CC[NH2+]C1 ZINC000062113153 357469337 /nfs/dbraw/zinc/46/93/37/357469337.db2.gz ODUBMROUWSSWOY-CYBMUJFWSA-N 1 0 270.336 1.479 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1nccs1)C(C)C ZINC000079436366 358070183 /nfs/dbraw/zinc/07/01/83/358070183.db2.gz UGQCDDZLOWWFMG-NSHDSACASA-N 1 0 283.397 1.546 40 0 CDABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=[NH2+])cc1 ZINC000079807745 358081428 /nfs/dbraw/zinc/08/14/28/358081428.db2.gz XGYVZGTUTNVMIJ-LLVKDONJSA-N 1 0 267.354 1.084 40 0 CDABRO C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC000096159961 358711176 /nfs/dbraw/zinc/71/11/76/358711176.db2.gz QDTIAMQSMWYUHL-DZGCQCFKSA-N 1 0 262.353 1.961 40 0 CDABRO COCC[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC000096159005 358711264 /nfs/dbraw/zinc/71/12/64/358711264.db2.gz LURJVBODMRHNKR-UHFFFAOYSA-N 1 0 291.395 1.399 40 0 CDABRO CC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccn3C)CC[C@@H]2C1 ZINC000096249566 358726781 /nfs/dbraw/zinc/72/67/81/358726781.db2.gz ZKUXIPBVKKPGJS-UKRRQHHQSA-N 1 0 291.395 1.208 40 0 CDABRO CCN(CC)C(=O)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096268898 358731842 /nfs/dbraw/zinc/73/18/42/358731842.db2.gz ADUDSQPUGRMTFD-GFCCVEGCSA-N 1 0 254.374 1.404 40 0 CDABRO Brc1ccc(OC[C@@H]2C[NH2+]CCO2)cc1 ZINC000011587497 358734278 /nfs/dbraw/zinc/73/42/78/358734278.db2.gz VVZUZDGQSSZNCQ-NSHDSACASA-N 1 0 272.142 1.816 40 0 CDABRO [NH3+]Cc1cccc(F)c1I ZINC000098096518 358812984 /nfs/dbraw/zinc/81/29/84/358812984.db2.gz XGQXMEQPZZNICC-UHFFFAOYSA-N 1 0 251.042 1.889 40 0 CDABRO COc1cccnc1NC(=S)NCCC[NH+](C)C ZINC000225403429 359587196 /nfs/dbraw/zinc/58/71/96/359587196.db2.gz BYFIBKPZWVNYQW-UHFFFAOYSA-N 1 0 268.386 1.328 40 0 CDABRO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[NH2+]3)n2)cc1F ZINC000015674357 360728481 /nfs/dbraw/zinc/72/84/81/360728481.db2.gz UGTHZDBHYCLBLY-KOLCDFICSA-N 1 0 263.272 1.579 40 0 biogenic,in-vitro CDABRO C[NH+](C)CC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000181203566 189290661 /nfs/dbraw/zinc/29/06/61/189290661.db2.gz DJMFAVWBDQYZQM-AWEZNQCLSA-N 1 0 262.353 1.018 40 0 CDABRO CC[NH+]1CCN(c2cc(NC(C)=O)c(N)cc2C)CC1 ZINC000216863816 364819131 /nfs/dbraw/zinc/81/91/31/364819131.db2.gz NAPKRKYDZLZOIH-UHFFFAOYSA-N 1 0 276.384 1.678 40 0 CDABRO CCC(=O)c1cccc(S(=O)(=O)NCC(C)(C)[NH3+])c1 ZINC000225479341 189753657 /nfs/dbraw/zinc/75/36/57/189753657.db2.gz QQBOVYLOKQXSPJ-UHFFFAOYSA-N 1 0 284.381 1.295 40 0 CDABRO COCc1noc([C@@H](C)N2CC[N@@H+](C3CC3)C[C@H](C)C2)n1 ZINC000333449454 205329256 /nfs/dbraw/zinc/32/92/56/205329256.db2.gz RKEPFNQLFHPMRT-VXGBXAGGSA-N 1 0 294.399 1.693 40 0 CDABRO Cc1nc(CN2C(=O)CC[C@H]3[NH2+]CC[C@H]32)cs1 ZINC000306129843 374967533 /nfs/dbraw/zinc/96/75/33/374967533.db2.gz IORDDSVCGLKDNY-GHMZBOCLSA-N 1 0 251.355 1.304 40 0 CDABRO C[NH2+]CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000225635442 375173830 /nfs/dbraw/zinc/17/38/30/375173830.db2.gz AMWHYKADSBYIRT-CYBMUJFWSA-N 1 0 256.296 1.998 40 0 CDABRO CCS(=O)(=O)N1CC[C@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257268147 190024017 /nfs/dbraw/zinc/02/40/17/190024017.db2.gz MKLATRIZUIFIGY-NSHDSACASA-N 1 0 283.397 1.571 40 0 CDABRO CN(Cc1ccnc([C@@H]2CCCO2)n1)C1CC[NH+](C)CC1 ZINC000257260979 190022721 /nfs/dbraw/zinc/02/27/21/190022721.db2.gz LFHWUYHMTCGOGG-HNNXBMFYSA-N 1 0 290.411 1.854 40 0 CDABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218026036 375779317 /nfs/dbraw/zinc/77/93/17/375779317.db2.gz BLWJLKXJNKQTKR-SOUVJXGZSA-N 1 0 297.420 1.569 40 0 CDABRO CC(=O)N1CC[NH2+]C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257291939 190027876 /nfs/dbraw/zinc/02/78/76/190027876.db2.gz QJICTGKSCOGGFJ-CQSZACIVSA-N 1 0 283.375 1.845 40 0 CDABRO CCCn1cc(-c2cnc(C[C@@H]3CC[NH2+]C3)cn2)cn1 ZINC000257305551 190031082 /nfs/dbraw/zinc/03/10/82/190031082.db2.gz SQMRKRUFGUKWCQ-LBPRGKRZSA-N 1 0 271.368 1.902 40 0 CDABRO Cn1cncc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257307429 190031341 /nfs/dbraw/zinc/03/13/41/190031341.db2.gz SYPALGHNKHXJQZ-OAHLLOKOSA-N 1 0 256.353 1.567 40 0 CDABRO c1cnc(Nc2nccnc2C2CC[NH2+]CC2)cn1 ZINC000257310202 190032358 /nfs/dbraw/zinc/03/23/58/190032358.db2.gz UECVKUVNSOOEEG-UHFFFAOYSA-N 1 0 256.313 1.477 40 0 CDABRO CC1(C)COC(=O)N1c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000257314299 190032369 /nfs/dbraw/zinc/03/23/69/190032369.db2.gz UWHTWKKFJKXSME-VIFPVBQESA-N 1 0 262.313 1.636 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nccc(C)n3)C2)CC1 ZINC000257333303 190035536 /nfs/dbraw/zinc/03/55/36/190035536.db2.gz YBALMMPAUMWYJU-AWEZNQCLSA-N 1 0 288.395 1.585 40 0 CDABRO CN1CCN(C(=O)C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000257341498 190036897 /nfs/dbraw/zinc/03/68/97/190036897.db2.gz ZKORSGZQGFXWTD-INIZCTEOSA-N 1 0 287.407 1.501 40 0 CDABRO O=C1NCC2(CC[NH+](CCc3ccc(O)cc3)CC2)O1 ZINC000065742893 378572581 /nfs/dbraw/zinc/57/25/81/378572581.db2.gz OEAIHLLOOXOFHW-UHFFFAOYSA-N 1 0 276.336 1.509 40 0 in-vitro CDABRO Cc1ccc(-n2ncc3c2nc[nH+]c3NN)cc1F ZINC000085398071 390641165 /nfs/dbraw/zinc/64/11/65/390641165.db2.gz FYOXQXSCNKDULF-UHFFFAOYSA-N 1 0 258.260 1.549 40 0 CDABRO O=C(C[C@H](c1ccccc1)[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000072208323 390616077 /nfs/dbraw/zinc/61/60/77/390616077.db2.gz GTLQTNJYWYMNSI-CVEARBPZSA-N 1 0 288.391 1.771 40 0 CDABRO CC(C)n1c(=O)c2cccnc2nc1[C@H]1CCC[NH2+]1 ZINC000242723187 391944948 /nfs/dbraw/zinc/94/49/48/391944948.db2.gz YFPSAYKSGHTCSU-LLVKDONJSA-N 1 0 258.325 1.797 40 0 CDABRO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)N(C)C(=O)c1cccn12 ZINC000306123448 392105071 /nfs/dbraw/zinc/10/50/71/392105071.db2.gz ANEFRZGDMJIKNJ-ZIAGYGMSSA-N 1 0 261.369 1.845 40 0 CDABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000306123097 392106519 /nfs/dbraw/zinc/10/65/19/392106519.db2.gz AEIMMDQKHJRTPC-MGPQQGTHSA-N 1 0 280.412 1.602 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](C[NH3+])[C@@H]1c1cccc(F)c1 ZINC000218618422 130769874 /nfs/dbraw/zinc/76/98/74/130769874.db2.gz XVEKETYUKFVLJG-SRVKXCTJSA-N 1 0 257.330 1.301 40 0 CDABRO COc1ccc(C[C@H]2CN(C)CC[C@H]2[NH3+])c(OC)c1OC ZINC000242390241 392695809 /nfs/dbraw/zinc/69/58/09/392695809.db2.gz AGGSXHAAIPDJDW-QWHCGFSZSA-N 1 0 294.395 1.534 40 0 CDABRO CC(C)(C)[NH2+][C@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096074132 398069665 /nfs/dbraw/zinc/06/96/65/398069665.db2.gz CLVJOTSIQINBGB-CYBMUJFWSA-N 1 0 290.411 1.993 40 0 CDABRO CCOc1cc(C[NH2+]C(C)(C)CO)ccc1OC ZINC000008254329 170327388 /nfs/dbraw/zinc/32/73/88/170327388.db2.gz BFZFWYDGTGNIOP-UHFFFAOYSA-N 1 0 253.342 1.954 40 0 CDABRO CCn1nc(C(F)(F)F)cc1CN1CC[NH2+]CC1 ZINC000022763298 171398457 /nfs/dbraw/zinc/39/84/57/171398457.db2.gz OPADPZADQPEOIV-UHFFFAOYSA-N 1 0 262.279 1.327 40 0 CDABRO C[C@H]1C[NH+](C[C@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000034792201 171867179 /nfs/dbraw/zinc/86/71/79/171867179.db2.gz YTWHNHAFBLEEKO-DZKIICNBSA-N 1 0 279.380 1.673 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)Cc1cccc(Br)c1 ZINC000038100079 174114772 /nfs/dbraw/zinc/11/47/72/174114772.db2.gz AOUBRJALMCFLRC-QMMMGPOBSA-N 1 0 271.158 1.755 40 0 CDABRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2cccc(C)c2)C1 ZINC000052136864 175532714 /nfs/dbraw/zinc/53/27/14/175532714.db2.gz OHEDNCYLJGSFMK-OAHLLOKOSA-N 1 0 260.381 1.996 40 0 CDABRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccs1 ZINC000071330621 176124507 /nfs/dbraw/zinc/12/45/07/176124507.db2.gz ZDMVTZKHQBOJQD-SNVBAGLBSA-N 1 0 274.411 1.511 40 0 CDABRO COCCN(C)c1cc(C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072365219 176380381 /nfs/dbraw/zinc/38/03/81/176380381.db2.gz VRQWUJNXXYEBAL-CYBMUJFWSA-N 1 0 278.400 1.677 40 0 CDABRO Cc1nc(C(=O)NCc2ccccn2)cc([C@H]2CCC[NH2+]2)n1 ZINC000072365669 176381104 /nfs/dbraw/zinc/38/11/04/176381104.db2.gz YTYRBZSBOVSINE-CYBMUJFWSA-N 1 0 297.362 1.535 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccccc1Cl ZINC000072397582 176395113 /nfs/dbraw/zinc/39/51/13/176395113.db2.gz GVAKMIRFGJFDNU-IACUBPJLSA-N 1 0 280.799 1.979 40 0 CDABRO COC[C@@H](O)C[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000077658025 177291615 /nfs/dbraw/zinc/29/16/15/177291615.db2.gz LSBLPFMUWMSGAU-WBVHZDCISA-N 1 0 292.423 1.590 40 0 CDABRO Cc1cc(C)nc(NCCC[NH2+]Cc2cnc(N)nc2)n1 ZINC000062717899 262301765 /nfs/dbraw/zinc/30/17/65/262301765.db2.gz UADMFLLVAXRPML-UHFFFAOYSA-N 1 0 287.371 1.057 40 0 CDABRO CNC(=O)[C@@]1(C)C[N@@H+](C2CCCCCC2)CCO1 ZINC000072379689 277011092 /nfs/dbraw/zinc/01/10/92/277011092.db2.gz RYFFUGPWMJVHKD-CQSZACIVSA-N 1 0 254.374 1.546 40 0 CDABRO CC(C)N(C(=O)C[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079390886 279274671 /nfs/dbraw/zinc/27/46/71/279274671.db2.gz KWLYSUYKVDQRRQ-LLVKDONJSA-N 1 0 285.388 1.192 40 0 CDABRO CC(C)c1ccc(N2CC[C@H](C[NH3+])S2(=O)=O)cc1 ZINC000260766413 328067272 /nfs/dbraw/zinc/06/72/72/328067272.db2.gz JXMSBFBKNSPWOO-CYBMUJFWSA-N 1 0 268.382 1.677 40 0 CDABRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cn(C)nn1 ZINC000235256707 525838873 /nfs/dbraw/zinc/83/88/73/525838873.db2.gz BROGULXAPOOAFX-DGCLKSJQSA-N 1 0 252.362 1.331 40 0 CDABRO COCc1cc(N2CCC([NH3+])CC2)nc(C2CC2)n1 ZINC000096516959 536723630 /nfs/dbraw/zinc/72/36/30/536723630.db2.gz BMVQTSDPTSDECQ-UHFFFAOYSA-N 1 0 262.357 1.428 40 0 CDABRO CC[NH+](CC)C[C@@H]1CCC2(CN(C(=O)[C@H]3C[C@@H]3C)C2)OC1 ZINC000575402627 342451813 /nfs/dbraw/zinc/45/18/13/342451813.db2.gz DEWHHTIDIJNWCG-KKUMJFAQSA-N 1 0 294.439 1.992 40 0 CDABRO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@@H]2CCOC2)nc1 ZINC000096184840 342557847 /nfs/dbraw/zinc/55/78/47/342557847.db2.gz SZIXKWICPMXPSQ-MJBXVCDLSA-N 1 0 274.368 1.166 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000096040584 185068797 /nfs/dbraw/zinc/06/87/97/185068797.db2.gz HUMIWSLLSILZIV-SCRDCRAPSA-N 1 0 294.420 1.929 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)CCC2CCCC2)C[C@H]1O ZINC000205679614 342572495 /nfs/dbraw/zinc/57/24/95/342572495.db2.gz SYGXVKNFPDYAOH-CHWSQXEVSA-N 1 0 254.374 1.090 40 0 CDABRO O=C(NCC1CC1)[C@H]1C[N@H+](CC2CC2)CC12CCOCC2 ZINC000096052162 185075099 /nfs/dbraw/zinc/07/50/99/185075099.db2.gz WSRYZEBDAXREJG-OAHLLOKOSA-N 1 0 292.423 1.651 40 0 CDABRO CN(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053840 185076134 /nfs/dbraw/zinc/07/61/34/185076134.db2.gz XEBIEWPGBGCTRB-BETUJISGSA-N 1 0 274.368 1.127 40 0 CDABRO O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccoc2)C1 ZINC000096057655 185077776 /nfs/dbraw/zinc/07/77/76/185077776.db2.gz JBRRNMVOHULBSQ-NWANDNLSSA-N 1 0 290.363 1.538 40 0 CDABRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]21 ZINC000096058274 185079214 /nfs/dbraw/zinc/07/92/14/185079214.db2.gz ZWDYKIBPKAKUDN-HZSPNIEDSA-N 1 0 294.420 1.721 40 0 CDABRO O=C(c1ccco1)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC000096071620 185086849 /nfs/dbraw/zinc/08/68/49/185086849.db2.gz XEGPTIOLYAWLKI-OAHLLOKOSA-N 1 0 278.352 1.200 40 0 CDABRO Cn1cccc1C(=O)N1CC2(C1)CC[N@H+](Cc1ccoc1)C2 ZINC000096070932 185087316 /nfs/dbraw/zinc/08/73/16/185087316.db2.gz SEEQXZQVGCNJIM-UHFFFAOYSA-N 1 0 299.374 1.966 40 0 CDABRO c1cc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)n[nH]1 ZINC000096074632 185088386 /nfs/dbraw/zinc/08/83/86/185088386.db2.gz LYCJQWNKQVXXIX-UHFFFAOYSA-N 1 0 290.411 1.487 40 0 CDABRO Cc1nc(C)c2c(n1)CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096083772 185092912 /nfs/dbraw/zinc/09/29/12/185092912.db2.gz DHROUORSLRDHAU-UHFFFAOYSA-N 1 0 271.368 1.428 40 0 CDABRO CC[N@@H+]1CCO[C@@H]2CN(C(=O)C3CC(F)C3)CC[C@@H]2C1 ZINC000585107946 342213346 /nfs/dbraw/zinc/21/33/46/342213346.db2.gz IGSXUDNMOVSVQZ-BLYZHGLHSA-N 1 0 284.375 1.304 40 0 CDABRO Cc1cc(OC[C@]2(CC(N)=O)C[NH2+]CCO2)ccc1Cl ZINC000585271749 342255891 /nfs/dbraw/zinc/25/58/91/342255891.db2.gz HFBRVLKSBXORRJ-AWEZNQCLSA-N 1 0 298.770 1.261 40 0 CDABRO COC[C@@]1(CC(N)=O)CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000585275983 342256275 /nfs/dbraw/zinc/25/62/75/342256275.db2.gz CHZQKXVKOXTMRE-HNNXBMFYSA-N 1 0 298.333 1.821 40 0 CDABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2CC1(O)CCCC1 ZINC000585285560 342258673 /nfs/dbraw/zinc/25/86/73/342258673.db2.gz ZVVSGXQANUQJCG-HUUCEWRRSA-N 1 0 280.412 1.767 40 0 CDABRO CO[C@@H]1COC[C@@H]([N@H+](C)CCCc2ccccc2)[C@@H]1O ZINC000585290949 342258896 /nfs/dbraw/zinc/25/88/96/342258896.db2.gz JHNVNNUMRJBZMR-OAGGEKHMSA-N 1 0 279.380 1.326 40 0 CDABRO CCn1nccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000221366406 342302046 /nfs/dbraw/zinc/30/20/46/342302046.db2.gz FQDGPIADCAUKGN-WFASDCNBSA-N 1 0 277.368 1.678 40 0 CDABRO O=C1CCC(=O)N1OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253489910 342429676 /nfs/dbraw/zinc/42/96/76/342429676.db2.gz GUWLFGRHKJHZOJ-VXGBXAGGSA-N 1 0 266.341 1.332 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1cc(C[NH3+])nn1 ZINC000080837585 342449308 /nfs/dbraw/zinc/44/93/08/342449308.db2.gz HSXLKFUMMLKRPP-LLVKDONJSA-N 1 0 281.360 1.136 40 0 CDABRO Cc1ncccc1C(=O)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257334822 362587091 /nfs/dbraw/zinc/58/70/91/362587091.db2.gz YHMRGKUNBZKHFV-DZGCQCFKSA-N 1 0 273.380 1.994 40 0 CDABRO COCCO[C@H]1COCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000085436033 179063073 /nfs/dbraw/zinc/06/30/73/179063073.db2.gz BZHBAYKHPZBZQN-MRXNPFEDSA-N 1 0 295.379 1.559 40 0 biogenic,in-vitro CDABRO COC[C@H]1C[NH2+]Cc2cn(CC3CCOCC3)nc21 ZINC000107492396 186176153 /nfs/dbraw/zinc/17/61/53/186176153.db2.gz QCNMOKBGXKNUOY-CYBMUJFWSA-N 1 0 265.357 1.143 40 0 CDABRO C[C@@H](CC[N@@H+]1CCN2C(=O)NC[C@H]2C1)c1ccccc1 ZINC000225580838 366072494 /nfs/dbraw/zinc/07/24/94/366072494.db2.gz MEMUXWHMRHTWFB-ZFWWWQNUSA-N 1 0 273.380 1.890 40 0 CDABRO COCCn1nnnc1[C@@H](C(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000004230615 363206146 /nfs/dbraw/zinc/20/61/46/363206146.db2.gz ZMZONOIDJMWUHZ-QWHCGFSZSA-N 1 0 281.404 1.749 40 0 CDABRO CSc1nccnc1CN(C(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000079435743 356996687 /nfs/dbraw/zinc/99/66/87/356996687.db2.gz KAFNMWTYLKJYBU-LBPRGKRZSA-N 1 0 294.424 1.673 40 0 CDABRO CCCN1CCN(C(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC000057605182 357362859 /nfs/dbraw/zinc/36/28/59/357362859.db2.gz LFLJMRZMOLPCKV-UHFFFAOYSA-N 1 0 299.378 1.640 40 0 CDABRO CC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](CC)CC1 ZINC000019500596 358097279 /nfs/dbraw/zinc/09/72/79/358097279.db2.gz FKXQJMQOVJYOKD-AWEZNQCLSA-N 1 0 292.431 1.877 40 0 CDABRO C[N@H+]1CCc2ncc(CNc3ccccn3)n2CC1 ZINC000096197118 358716093 /nfs/dbraw/zinc/71/60/93/358716093.db2.gz OANDGRJIDWGRAM-UHFFFAOYSA-N 1 0 257.341 1.378 40 0 CDABRO Cc1n[nH]c(C[C@@H]2OC[C@H]3C[N@@H+](C4CCC4)CC[C@H]32)n1 ZINC000096218708 358722201 /nfs/dbraw/zinc/72/22/01/358722201.db2.gz HWLLVRLFVJWAFY-BNOWGMLFSA-N 1 0 276.384 1.545 40 0 CDABRO C[C@H]1CO[C@]2(C1)CCCN(Cc1csnn1)C2 ZINC000096221990 358722859 /nfs/dbraw/zinc/72/28/59/358722859.db2.gz MCFJECCHPWUWEG-PWSUYJOCSA-N 1 0 253.371 1.929 40 0 CDABRO CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cncn1C)C2 ZINC000096229845 358724221 /nfs/dbraw/zinc/72/42/21/358724221.db2.gz KTTHFZACPBRBDO-MRXNPFEDSA-N 1 0 290.411 1.787 40 0 CDABRO CC(C)N1CCO[C@H]2CN(C(=O)c3ccoc3)C[C@H]21 ZINC000096246445 358725447 /nfs/dbraw/zinc/72/54/47/358725447.db2.gz SNIQGCQSOHOKRM-OLZOCXBDSA-N 1 0 264.325 1.213 40 0 CDABRO CC(C)N1CCO[C@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000096246447 358725541 /nfs/dbraw/zinc/72/55/41/358725541.db2.gz SHXCMVNGYIKSTE-NEPJUHHUSA-N 1 0 280.393 1.682 40 0 CDABRO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC(C)C)C[C@@H]32)C(=O)N1C ZINC000096261413 358729594 /nfs/dbraw/zinc/72/95/94/358729594.db2.gz KMHJMKSXALUHQX-VNHYZAJKSA-N 1 0 263.385 1.613 40 0 CDABRO [NH3+]CCSc1n[nH]c(COc2ccccc2)n1 ZINC000224979244 359541017 /nfs/dbraw/zinc/54/10/17/359541017.db2.gz ZSRNTNSIONZSTG-UHFFFAOYSA-N 1 0 250.327 1.435 40 0 CDABRO CNC(=S)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225231247 359562418 /nfs/dbraw/zinc/56/24/18/359562418.db2.gz BABVIOYIIDJUPK-UHFFFAOYSA-N 1 0 269.439 1.806 40 0 CDABRO C[NH+](C)CCOc1cc(Br)ccc1N ZINC000083738930 360533709 /nfs/dbraw/zinc/53/37/09/360533709.db2.gz OIEONBBPXVOYSQ-UHFFFAOYSA-N 1 0 259.147 1.972 40 0 CDABRO CCOC[C@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217978907 360533903 /nfs/dbraw/zinc/53/39/03/360533903.db2.gz WWPMYTOKVNMVIW-CHWSQXEVSA-N 1 0 269.366 1.214 40 0 CDABRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)C1(C(C)C)CC1 ZINC000631953391 367030557 /nfs/dbraw/zinc/03/05/57/367030557.db2.gz JFRULNRKLXQHKD-GFCCVEGCSA-N 1 0 274.430 1.435 40 0 CDABRO Cc1ccc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)cc1O ZINC000225425835 374359969 /nfs/dbraw/zinc/35/99/69/374359969.db2.gz CZGBNGIDXJFIIE-OLZOCXBDSA-N 1 0 292.379 1.228 40 0 CDABRO C[C@@H](C[NH2+][C@]1(CO)CCOC1)c1ccc(F)cc1 ZINC000225480801 374494107 /nfs/dbraw/zinc/49/41/07/374494107.db2.gz IDLKHXRAEOPYAM-FZMZJTMJSA-N 1 0 253.317 1.670 40 0 CDABRO Cc1nc2c([nH]1)C[C@H](C(=O)Nc1nnc(C)s1)CC2 ZINC000225518291 374648412 /nfs/dbraw/zinc/64/84/12/374648412.db2.gz CUUGPDGVEDBYPP-MRVPVSSYSA-N 1 0 277.353 1.622 40 0 CDABRO CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CCOC(C)C ZINC000078923071 374740939 /nfs/dbraw/zinc/74/09/39/374740939.db2.gz CXRBGDSSWJNQEN-ZDUSSCGKSA-N 1 0 299.415 1.502 40 0 CDABRO c1ccc(NC[C@H]2CO[C@@H]3C[N@@H+](C4CCC4)C[C@H]23)nc1 ZINC000306137629 374970639 /nfs/dbraw/zinc/97/06/39/374970639.db2.gz RBRHKOJCNHNFOT-NWANDNLSSA-N 1 0 273.380 1.993 40 0 CDABRO Cc1nn(C(C)C)cc1C[NH2+]CCCN1CCOCC1 ZINC000256054177 190004995 /nfs/dbraw/zinc/00/49/95/190004995.db2.gz VFHLEQQLFJEDBU-UHFFFAOYSA-N 1 0 280.416 1.584 40 0 CDABRO COc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)n1 ZINC000132883089 375622261 /nfs/dbraw/zinc/62/22/61/375622261.db2.gz MBFREJMXTOMXJZ-UHFFFAOYSA-N 1 0 277.368 1.627 40 0 CDABRO Cc1c(C[NH2+]Cc2ccnn2CCF)cnn1C ZINC000256050610 190003407 /nfs/dbraw/zinc/00/34/07/190003407.db2.gz FTCMHSWWKUXIOS-UHFFFAOYSA-N 1 0 251.309 1.184 40 0 CDABRO Cc1nn(C)c2nc([C@]3(C)CCC[N@H+](CCO)C3)ccc12 ZINC000257205180 190011604 /nfs/dbraw/zinc/01/16/04/190011604.db2.gz AXYWFHVRVNGYSM-MRXNPFEDSA-N 1 0 288.395 1.623 40 0 CDABRO Cc1cc(-c2cnc3ncccn23)nc([C@H]2CCC[NH2+]C2)n1 ZINC000257218343 190014028 /nfs/dbraw/zinc/01/40/28/190014028.db2.gz DCUJMEAIXFQPIL-LBPRGKRZSA-N 1 0 294.362 1.962 40 0 CDABRO Cc1nn(C)c(C)c1-c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000257240298 190018199 /nfs/dbraw/zinc/01/81/99/190018199.db2.gz HSXPPXBZXKHIGN-GFCCVEGCSA-N 1 0 271.368 1.961 40 0 CDABRO O=C(CCn1ccnc1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257245964 190019615 /nfs/dbraw/zinc/01/96/15/190019615.db2.gz IRWQEKQVCIVBFF-UONOGXRCSA-N 1 0 276.384 1.264 40 0 CDABRO Cc1cc(-c2nccn2C)nc(C2CC[NH2+]CC2)n1 ZINC000257270055 190023701 /nfs/dbraw/zinc/02/37/01/190023701.db2.gz MSPFBMYVWBMIOP-UHFFFAOYSA-N 1 0 257.341 1.653 40 0 CDABRO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000257259122 190021705 /nfs/dbraw/zinc/02/17/05/190021705.db2.gz KWXIRPNIVPWSJW-ZDUSSCGKSA-N 1 0 271.368 1.963 40 0 CDABRO Cc1cc(-c2nccn2C)nc(CC2CC[NH2+]CC2)n1 ZINC000257278743 190025772 /nfs/dbraw/zinc/02/57/72/190025772.db2.gz ODLYKMRNJRXUBV-UHFFFAOYSA-N 1 0 271.368 1.728 40 0 CDABRO C[C@]1(C(=O)NCCCc2ccccc2)C[NH2+]CCO1 ZINC000257271505 190024329 /nfs/dbraw/zinc/02/43/29/190024329.db2.gz MYPSNNJTWLFTMP-OAHLLOKOSA-N 1 0 262.353 1.114 40 0 CDABRO CNC(=O)c1cc(C[C@H]2CCC[N@@H+](C(C)C)C2)nc(C)n1 ZINC000257273076 190024915 /nfs/dbraw/zinc/02/49/15/190024915.db2.gz NFDTVGIPQZKNLA-CYBMUJFWSA-N 1 0 290.411 1.808 40 0 CDABRO CCCn1cc(-c2cnc(C[C@H]3CC[NH2+]C3)cn2)cn1 ZINC000257305550 190031438 /nfs/dbraw/zinc/03/14/38/190031438.db2.gz SQMRKRUFGUKWCQ-GFCCVEGCSA-N 1 0 271.368 1.902 40 0 CDABRO CO[C@H]1C[N@H+](Cc2ccncc2)CC[C@@]12CCCO2 ZINC000257306592 190030981 /nfs/dbraw/zinc/03/09/81/190030981.db2.gz SUYXZOOAXZXEEA-GJZGRUSLSA-N 1 0 262.353 1.852 40 0 CDABRO CN1CC[N@H+](Cc2ccc3ncccc3c2)C[C@H](C(N)=O)C1 ZINC000257313885 190032342 /nfs/dbraw/zinc/03/23/42/190032342.db2.gz UUMQMMWBADQMNU-OAHLLOKOSA-N 1 0 298.390 1.084 40 0 CDABRO O=c1cc(C[C@@H]2COCC[N@H+](Cc3ccccc3)C2)nc[nH]1 ZINC000257321246 190033743 /nfs/dbraw/zinc/03/37/43/190033743.db2.gz WAVCABKZBUJQQT-HNNXBMFYSA-N 1 0 299.374 1.873 40 0 CDABRO C/C=C/CN1c2ccc(OCC[NH3+])cc2CCC1=O ZINC000218793000 376968236 /nfs/dbraw/zinc/96/82/36/376968236.db2.gz KRYWQZKDVZNVCR-NSCUHMNNSA-N 1 0 260.337 1.879 40 0 CDABRO C[Si](C)(C)CCOCN1C(=O)CC2=C1[NH2+]CC=C2 ZINC000265540542 190188988 /nfs/dbraw/zinc/18/89/88/190188988.db2.gz DFMSESYUUSHONO-UHFFFAOYSA-N 1 0 266.417 1.902 40 0 CDABRO Cc1ccc(CSCCNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000150749490 256752616 /nfs/dbraw/zinc/75/26/16/256752616.db2.gz YNKMYSSKOFDHGG-AWEZNQCLSA-N 1 0 278.421 1.954 40 0 CDABRO CS(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000048903839 390462854 /nfs/dbraw/zinc/46/28/54/390462854.db2.gz NKLYCHNJMDAHHK-UHFFFAOYSA-N 1 0 268.382 1.332 40 0 CDABRO [NH3+]CC(=O)NCc1nc(-c2c(F)cccc2Cl)no1 ZINC000072220485 390622188 /nfs/dbraw/zinc/62/21/88/390622188.db2.gz YEGOWLJDVOUKHL-UHFFFAOYSA-N 1 0 284.678 1.104 40 0 CDABRO COc1cccc([C@@H](N)c2nc(Cn3cccn3)n[nH]2)c1 ZINC000095533557 390607548 /nfs/dbraw/zinc/60/75/48/390607548.db2.gz OCQIGHWFHDDDFG-CYBMUJFWSA-N 1 0 284.323 1.106 40 0 CDABRO O=C1COC2(CC[NH2+]CC2)CN1Cc1ccccc1F ZINC000096157227 390913293 /nfs/dbraw/zinc/91/32/93/390913293.db2.gz IFWUBRDNPLJIPZ-UHFFFAOYSA-N 1 0 278.327 1.307 40 0 CDABRO COc1ccc(C[C@H]2C[N@H+](C)CC[C@@H]2O)c(OC)c1OC ZINC000252497673 392794869 /nfs/dbraw/zinc/79/48/69/392794869.db2.gz QMQMRMFUDUJKIO-STQMWFEESA-N 1 0 295.379 1.568 40 0 CDABRO CCCNc1ncc(C[NH2+]C[C@@H]2CCCN2CC)cn1 ZINC000062718470 392804451 /nfs/dbraw/zinc/80/44/51/392804451.db2.gz SFJORGVBQSDTGK-AWEZNQCLSA-N 1 0 277.416 1.872 40 0 CDABRO COC(=O)C1=C[C@H]2[C@H](C1)[C@H]1C[C@@H]2[C@H](OC(C)=O)[C@H]1[NH+](C)C ZINC000005031578 170058795 /nfs/dbraw/zinc/05/87/95/170058795.db2.gz OEGPFLRTIQSEOX-LOVFCKMRSA-N 1 0 293.363 1.234 40 0 CDABRO CCOC(=O)c1cccc(NC(=S)NCC[NH+](C)C)c1 ZINC000007369002 170279625 /nfs/dbraw/zinc/27/96/25/170279625.db2.gz GECNWLGHKHFYKC-UHFFFAOYSA-N 1 0 295.408 1.711 40 0 CDABRO COc1cc(C[NH2+]C[C@H](C)O)cc(OC)c1OC ZINC000008497908 170338233 /nfs/dbraw/zinc/33/82/33/170338233.db2.gz FKCBAZQXBSGXJL-VIFPVBQESA-N 1 0 255.314 1.183 40 0 CDABRO O=C(CC1CC[NH2+]CC1)Nc1ccc2nccnc2c1 ZINC000019746020 170852071 /nfs/dbraw/zinc/85/20/71/170852071.db2.gz GHHQLVQHXWJJIW-UHFFFAOYSA-N 1 0 270.336 1.958 40 0 CDABRO CSc1ccc(CNCC[NH2+]C[C@H](C)O)cc1 ZINC000022074887 171352077 /nfs/dbraw/zinc/35/20/77/171352077.db2.gz IDKDDQCUUGURJD-NSHDSACASA-N 1 0 254.399 1.469 40 0 CDABRO [NH3+]C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 ZINC000022214363 171374741 /nfs/dbraw/zinc/37/47/41/171374741.db2.gz BWUAYKBWBVGGBH-GFCCVEGCSA-N 1 0 290.285 1.917 40 0 CDABRO O=C(Cc1cccc(Br)c1)N[C@@H]1CCC[NH2+]C1 ZINC000071396952 176150168 /nfs/dbraw/zinc/15/01/68/176150168.db2.gz KGMPSZZLCIPYMQ-GFCCVEGCSA-N 1 0 297.196 1.860 40 0 CDABRO Cc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072350494 176373490 /nfs/dbraw/zinc/37/34/90/176373490.db2.gz LSABXAMZAKMHLN-LBPRGKRZSA-N 1 0 257.341 1.780 40 0 CDABRO Cc1cc(-n2ccnc2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072382904 176388474 /nfs/dbraw/zinc/38/84/74/176388474.db2.gz RFEOHSYRKXOEOF-GFCCVEGCSA-N 1 0 257.341 1.780 40 0 CDABRO C[N@@H+]1CCC[C@@](O)(CN2CCN(c3ccccc3)CC2)C1 ZINC000046087415 423939004 /nfs/dbraw/zinc/93/90/04/423939004.db2.gz VWZKXMNKLXPKSJ-KRWDZBQOSA-N 1 0 289.423 1.265 40 0 CDABRO NC(=[NH2+])N1CCc2ccc(Br)cc2C1 ZINC000004216440 274932030 /nfs/dbraw/zinc/93/20/30/274932030.db2.gz ICLLENNEPRZLAP-UHFFFAOYSA-N 1 0 254.131 1.701 40 0 in-man CDABRO CC(C)(C)OC(=O)N1CCC[C@H](COCC[NH3+])C1 ZINC000079390635 277186138 /nfs/dbraw/zinc/18/61/38/277186138.db2.gz KTVZNDKQDBXSOR-NSHDSACASA-N 1 0 258.362 1.609 40 0 CDABRO COc1ccc(-c2cn(O)c3c([n+]2=O)CCC3)cc1 ZINC000334157190 277859738 /nfs/dbraw/zinc/85/97/38/277859738.db2.gz MYFMLXHRANTSKG-UHFFFAOYSA-N 1 0 259.285 1.804 40 0 CDABRO CC(C)(C)OC(=O)N1CC2(C[C@@H]1CO)CC[NH2+]CC2 ZINC000095496194 278380602 /nfs/dbraw/zinc/38/06/02/278380602.db2.gz QECKWMUZAFIVRS-LLVKDONJSA-N 1 0 270.373 1.358 40 0 CDABRO CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H]([NH3+])C2 ZINC000085344232 278383417 /nfs/dbraw/zinc/38/34/17/278383417.db2.gz WLIBCGKRWZEEDX-LLVKDONJSA-N 1 0 270.373 1.751 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079409154 279004980 /nfs/dbraw/zinc/00/49/80/279004980.db2.gz YBNKGLNUNYOZAN-NSHDSACASA-N 1 0 285.388 1.193 40 0 CDABRO CC[N@@H+]1CCC[C@@](O)(CN2CCc3sccc3C2)C1 ZINC000041124085 279315613 /nfs/dbraw/zinc/31/56/13/279315613.db2.gz LKGPJZSPNNIOQE-HNNXBMFYSA-N 1 0 280.437 1.953 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2ccncc2)N1 ZINC000022238415 279618740 /nfs/dbraw/zinc/61/87/40/279618740.db2.gz GHKQCOCMYZWOPC-LBPRGKRZSA-N 1 0 292.302 1.079 40 0 CDABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCC2)ncc1C(N)=O ZINC000072345418 293390453 /nfs/dbraw/zinc/39/04/53/293390453.db2.gz ASPPUUGKUOEKJX-CYBMUJFWSA-N 1 0 274.368 1.963 40 0 CDABRO Cc1cccc(C)c1N1CC[C@H](C[NH3+])S1(=O)=O ZINC000260762877 328066841 /nfs/dbraw/zinc/06/68/41/328066841.db2.gz HTXHFCCSMZWFQX-LLVKDONJSA-N 1 0 254.355 1.171 40 0 CDABRO Cc1cc(C)c(N2CC[C@H](C[NH3+])S2(=O)=O)c(C)c1 ZINC000260778602 328068965 /nfs/dbraw/zinc/06/89/65/328068965.db2.gz RTZHEBZXACIKNJ-GFCCVEGCSA-N 1 0 268.382 1.479 40 0 CDABRO CCC[NH+](CCC)C1(Cc2cc(CCO)on2)COC1 ZINC001772595165 1159314191 /nfs/dbraw/zinc/31/41/91/1159314191.db2.gz ACXAIYTWQSEIQY-UHFFFAOYSA-N 1 0 282.384 1.643 40 0 CDABRO Brc1cccc2c([C@H]3C[NH2+]CCO3)ncn21 ZINC000095698616 342451608 /nfs/dbraw/zinc/45/16/08/342451608.db2.gz PMXWITXTQKAMSR-SECBINFHSA-N 1 0 282.141 1.758 40 0 CDABRO O=C(c1ccco1)N1CC[N@@H+]2C[C@H](OCC3CC3)C[C@@H]2C1 ZINC000096054998 185076826 /nfs/dbraw/zinc/07/68/26/185076826.db2.gz IAXBEFAQFSYVPF-ZIAGYGMSSA-N 1 0 290.363 1.605 40 0 CDABRO Cc1nc(COC[C@H]2C[NH2+]Cc3nccn3C2)cs1 ZINC000096059152 185078684 /nfs/dbraw/zinc/07/86/84/185078684.db2.gz CEFYNIYSYDXNSF-NSHDSACASA-N 1 0 278.381 1.584 40 0 CDABRO COCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC000096081401 185091703 /nfs/dbraw/zinc/09/17/03/185091703.db2.gz IFYZZRRDSGAKHV-QWHCGFSZSA-N 1 0 278.352 1.320 40 0 CDABRO CC(C)[N@@H+]1CCOC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585268967 342254419 /nfs/dbraw/zinc/25/44/19/342254419.db2.gz GAUVHKXYPRMRIC-OAHLLOKOSA-N 1 0 283.343 1.676 40 0 CDABRO CC[NH2+][C@H]1CCOC2(CCN(c3cc(C)ncn3)CC2)C1 ZINC000257259182 362581382 /nfs/dbraw/zinc/58/13/82/362581382.db2.gz KXFKOHDWUZLLLV-AWEZNQCLSA-N 1 0 290.411 1.913 40 0 CDABRO CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+](CC1CC1)C2 ZINC000096050232 136518515 /nfs/dbraw/zinc/51/85/15/136518515.db2.gz MAIBPRJJOSTXFY-GOSISDBHSA-N 1 0 299.418 1.820 40 0 CDABRO CCCn1nc([C@@H](O)C2(C[NH3+])CCOCC2)cc1C ZINC000085395741 179049349 /nfs/dbraw/zinc/04/93/49/179049349.db2.gz VPGHWEYOOUDMDJ-CYBMUJFWSA-N 1 0 267.373 1.390 40 0 CDABRO CC(C)CCO[C@H]1COCC[N@@H+](C2CCOCC2)C1 ZINC000085436032 179063036 /nfs/dbraw/zinc/06/30/36/179063036.db2.gz PKLSNWSUHSEVAK-OAHLLOKOSA-N 1 0 271.401 1.929 40 0 biogenic,in-vitro CDABRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@H]1O ZINC000085468328 179073119 /nfs/dbraw/zinc/07/31/19/179073119.db2.gz OLNZAZVQTPDZEU-IRUJWGPZSA-N 1 0 257.280 1.186 40 0 CDABRO OC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C[C@H]1O ZINC000085468336 179073508 /nfs/dbraw/zinc/07/35/08/179073508.db2.gz OLNZAZVQTPDZEU-XHVZSJERSA-N 1 0 257.280 1.186 40 0 CDABRO CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cnn(C)c1)C2 ZINC000108535034 186221811 /nfs/dbraw/zinc/22/18/11/186221811.db2.gz WWXJGNFSFMFEPB-DZGCQCFKSA-N 1 0 276.384 1.158 40 0 CDABRO CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cn(C)nc1C)C2 ZINC000108532686 186222729 /nfs/dbraw/zinc/22/27/29/186222729.db2.gz SACSIEUMWGEEAJ-GOEBONIOSA-N 1 0 290.411 1.467 40 0 CDABRO O[C@@H](C[NH2+]C1CCCC1)COc1ccc2c(c1)OCO2 ZINC000002701433 356098299 /nfs/dbraw/zinc/09/82/99/356098299.db2.gz MNTPKYKEAHYWDQ-LBPRGKRZSA-N 1 0 279.336 1.687 40 0 CDABRO Cn1cncc1CN(CCC[NH+](C)C)Cc1ccccn1 ZINC000019291813 356479987 /nfs/dbraw/zinc/47/99/87/356479987.db2.gz DEJWDCZQLMUICL-UHFFFAOYSA-N 1 0 287.411 1.769 40 0 CDABRO C[C@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)[NH+]1CCCC1 ZINC000019080623 356475095 /nfs/dbraw/zinc/47/50/95/356475095.db2.gz BIPGMGRTUHFZOC-SNVBAGLBSA-N 1 0 289.335 1.440 40 0 CDABRO CN(C[C@H]1CCC[N@@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407869 356990855 /nfs/dbraw/zinc/99/08/55/356990855.db2.gz XQZIQWQYQOVKEB-LLVKDONJSA-N 1 0 258.362 1.310 40 0 CDABRO CC(C)N(C[C@H]1CCCN1C(=O)C[NH3+])C(=O)OC(C)(C)C ZINC000079409240 356992114 /nfs/dbraw/zinc/99/21/14/356992114.db2.gz BBIJRHBGFAALRD-GFCCVEGCSA-N 1 0 299.415 1.582 40 0 CDABRO COc1ccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C)nn1 ZINC000079435907 356996525 /nfs/dbraw/zinc/99/65/25/356996525.db2.gz YVQVZVWDNTYSMT-ZDUSSCGKSA-N 1 0 280.372 1.206 40 0 CDABRO CC(C)[C@H]([NH3+])Cn1nc(-c2cccs2)ccc1=O ZINC000013566196 357176529 /nfs/dbraw/zinc/17/65/29/357176529.db2.gz CXVBNMHTSJMBNJ-SNVBAGLBSA-N 1 0 263.366 1.955 40 0 CDABRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000056513722 357344933 /nfs/dbraw/zinc/34/49/33/357344933.db2.gz KPAUBBHJUPFJJV-NSHDSACASA-N 1 0 258.362 1.358 40 0 CDABRO NC(=[NH2+])[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000228965797 283262079 /nfs/dbraw/zinc/26/20/79/283262079.db2.gz XUFCEFKLEXKDDE-NSHDSACASA-N 1 0 253.733 1.649 40 0 CDABRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1CCC1 ZINC000225561533 358069924 /nfs/dbraw/zinc/06/99/24/358069924.db2.gz ZGAIASXPZUCXOM-UHFFFAOYSA-N 1 0 280.412 1.794 40 0 CDABRO CC[C@H](OC[C@@H](O)C[NH2+]C(C)(C)CO)c1ccccc1 ZINC000002694710 169820766 /nfs/dbraw/zinc/82/07/66/169820766.db2.gz FCTIXENUHXHGQX-GJZGRUSLSA-N 1 0 281.396 1.876 40 0 CDABRO c1cnc(N2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)nc1 ZINC000096047956 358706158 /nfs/dbraw/zinc/70/61/58/358706158.db2.gz VULUGUNNJZXOLP-AWEZNQCLSA-N 1 0 288.395 1.700 40 0 CDABRO Cn1cc(N2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)cn1 ZINC000096184164 358713387 /nfs/dbraw/zinc/71/33/87/358713387.db2.gz YUJMSHNFLWIHBP-CABCVRRESA-N 1 0 297.362 1.195 40 0 CDABRO COCC[N@@H+]1C[C@H](OCc2csc(C)n2)[C@H]2COC[C@H]21 ZINC000096185094 358714366 /nfs/dbraw/zinc/71/43/66/358714366.db2.gz HEMIFUYJRYHKLZ-MJBXVCDLSA-N 1 0 298.408 1.314 40 0 CDABRO CC(C)NC(=O)[C@]12COC[C@H]1C[N@H+](Cc1ccoc1)C2 ZINC000096206899 358720219 /nfs/dbraw/zinc/72/02/19/358720219.db2.gz QRTUFNYGSPDQHR-UKRRQHHQSA-N 1 0 278.352 1.253 40 0 CDABRO FCCN1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096217209 358720928 /nfs/dbraw/zinc/72/09/28/358720928.db2.gz YFBPMUWSVSIPHU-GFCCVEGCSA-N 1 0 270.377 1.800 40 0 CDABRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096227790 358723740 /nfs/dbraw/zinc/72/37/40/358723740.db2.gz SCJYCONVANNDCN-CYBMUJFWSA-N 1 0 276.384 1.110 40 0 CDABRO Cc1ccsc1C(=O)N1CC[C@@H]2C[N@H+](C)CCO[C@@H]2C1 ZINC000096249556 358726402 /nfs/dbraw/zinc/72/64/02/358726402.db2.gz ZLKBVAAGDYSNGF-CHWSQXEVSA-N 1 0 294.420 1.849 40 0 CDABRO CC(C)CC[N@@H+]1C[C@H]2C[C@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000096252961 358727631 /nfs/dbraw/zinc/72/76/31/358727631.db2.gz LFBCGBSGAFUZAY-QLFBSQMISA-N 1 0 282.428 1.894 40 0 CDABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](CC4CC4)C[C@@H]32)C(=O)N1C ZINC000096261414 358729737 /nfs/dbraw/zinc/72/97/37/358729737.db2.gz GCWBFMXVWKMJAF-VNHYZAJKSA-N 1 0 261.369 1.367 40 0 CDABRO COc1cccc([C@H](C[NH3+])N2CCOCC2)c1OC ZINC000019258302 358839695 /nfs/dbraw/zinc/83/96/95/358839695.db2.gz JOOHEYDVJFMCCA-LBPRGKRZSA-N 1 0 266.341 1.036 40 0 CDABRO O=C(CN1CC[NH2+]CC1)Nc1ccc(Cl)c(F)c1 ZINC000023292118 359231373 /nfs/dbraw/zinc/23/13/73/359231373.db2.gz WQBANXPCWFUCPP-UHFFFAOYSA-N 1 0 271.723 1.323 40 0 CDABRO CCCCc1ccc(N2CC[C@@H](C[NH3+])S2(=O)=O)cc1 ZINC000222541253 359353110 /nfs/dbraw/zinc/35/31/10/359353110.db2.gz BLADWLJRGIUHHS-AWEZNQCLSA-N 1 0 282.409 1.896 40 0 CDABRO O[C@@H](COCc1ccccc1)C[NH+]1CCSCC1 ZINC000002692786 364636127 /nfs/dbraw/zinc/63/61/27/364636127.db2.gz DLFCGTJJFSAPML-CQSZACIVSA-N 1 0 267.394 1.613 40 0 CDABRO CCOC[C@]1([NH3+])C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217993274 367259705 /nfs/dbraw/zinc/25/97/05/367259705.db2.gz ROTMIRMNNONLBQ-CHWSQXEVSA-N 1 0 269.366 1.275 40 0 CDABRO Cc1ccc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)cc1 ZINC000026478776 370638752 /nfs/dbraw/zinc/63/87/52/370638752.db2.gz AUQROQSRUJTSAR-UHFFFAOYSA-N 1 0 273.336 1.169 40 0 CDABRO O=C1c2ccccc2C2=C1N(O)[C@H]1CCCCC[C@H]1[N+]2=O ZINC000217343246 373652024 /nfs/dbraw/zinc/65/20/24/373652024.db2.gz UPUVRTJICMZCNF-OLZOCXBDSA-N 1 0 284.315 1.849 40 0 CDABRO Fc1ccc(-c2nnc(CN3CC[NH2+]CC3)[nH]2)cc1 ZINC000064875478 374241044 /nfs/dbraw/zinc/24/10/44/374241044.db2.gz KARZQXRDKUSSDK-UHFFFAOYSA-N 1 0 261.304 1.016 40 0 CDABRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@H](C)C1 ZINC000079361196 374796172 /nfs/dbraw/zinc/79/61/72/374796172.db2.gz LGJWVIAKXMVFNP-ILXRZTDVSA-N 1 0 298.427 1.419 40 0 CDABRO CC(C)C(=O)N(C)Cc1cc([C@@H]2CCC[NH2+]C2)nn1C ZINC000019709168 374778022 /nfs/dbraw/zinc/77/80/22/374778022.db2.gz IMJCVTVCWBRRIE-GFCCVEGCSA-N 1 0 278.400 1.502 40 0 CDABRO COC(C)(C)C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+]C2 ZINC000257211061 190012043 /nfs/dbraw/zinc/01/20/43/190012043.db2.gz BXIZTDKLPIRUEF-RSUWNVLCSA-N 1 0 280.412 1.933 40 0 CDABRO Cc1cnc(C2(C)CC[NH+](CCC(N)=O)CC2)s1 ZINC000257212665 190012821 /nfs/dbraw/zinc/01/28/21/190012821.db2.gz CEKFZZDXXFENBS-UHFFFAOYSA-N 1 0 267.398 1.680 40 0 CDABRO NC(=O)C[N@H+]1C[C@@H]2[C@@H](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC000257225063 190015196 /nfs/dbraw/zinc/01/51/96/190015196.db2.gz FEQSZHSYZPBIGV-UMVBOHGHSA-N 1 0 276.355 1.812 40 0 CDABRO O=C(Cn1cc(Cl)cn1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257258001 190021561 /nfs/dbraw/zinc/02/15/61/190021561.db2.gz KRZREGQCVGLNRH-DGCLKSJQSA-N 1 0 296.802 1.527 40 0 CDABRO CCn1nccc1-c1cc(C)nc([C@H]2CC[NH2+]C2)n1 ZINC000257301757 190030160 /nfs/dbraw/zinc/03/01/60/190030160.db2.gz RZVOOVQDYGAIAZ-NSHDSACASA-N 1 0 257.341 1.745 40 0 CDABRO Cc1nc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000257319262 190033452 /nfs/dbraw/zinc/03/34/52/190033452.db2.gz VROTVYGEGHTMQN-CYBMUJFWSA-N 1 0 287.367 1.604 40 0 CDABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000257335596 190036097 /nfs/dbraw/zinc/03/60/97/190036097.db2.gz YKYZQLAQXQASCO-ZDUSSCGKSA-N 1 0 282.409 1.957 40 0 CDABRO CC1(C)COC(=O)N1c1cnc([C@H]2CCC[NH2+]2)cn1 ZINC000257344565 190037833 /nfs/dbraw/zinc/03/78/33/190037833.db2.gz ZXUSOXXOKVOGAO-SECBINFHSA-N 1 0 262.313 1.636 40 0 CDABRO C[N@@H+]1CCC[C@](O)(CN2CCCc3ccccc32)C1 ZINC000040715098 378606270 /nfs/dbraw/zinc/60/62/70/378606270.db2.gz XHIKUFFARCIEDD-MRXNPFEDSA-N 1 0 260.381 1.896 40 0 CDABRO O=C1C[C@@H](c2ccncc2)C2(CC[NH+](CC3CC3)CC2)N1 ZINC000096061552 296345142 /nfs/dbraw/zinc/34/51/42/296345142.db2.gz LEYBZSCNYOHTST-HNNXBMFYSA-N 1 0 285.391 1.930 40 0 CDABRO CN(C)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC000096260394 256838176 /nfs/dbraw/zinc/83/81/76/256838176.db2.gz RFGMOHCVSUKGAO-UHFFFAOYSA-N 1 0 288.395 1.072 40 0 CDABRO C[C@@]1(CO)CCC[C@H]1NCC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000104245201 390488049 /nfs/dbraw/zinc/48/80/49/390488049.db2.gz LBNBPYQPTNKLFN-WCVJEAGWSA-N 1 0 284.444 1.268 40 0 CDABRO COc1ccc(C2=N[C@@]3(CCC[NH2+]C3)N(C)C2=O)cc1 ZINC000096516448 390534523 /nfs/dbraw/zinc/53/45/23/390534523.db2.gz MRFGIWWKQUEAPC-HNNXBMFYSA-N 1 0 273.336 1.036 40 0 CDABRO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCC[N@H+]1C ZINC000072219385 390623099 /nfs/dbraw/zinc/62/30/99/390623099.db2.gz TYMFWOZFOGWORG-AWEZNQCLSA-N 1 0 261.369 1.993 40 0 CDABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)[C@H]3C[C@H]3C)C2)C1 ZINC000306123096 392105466 /nfs/dbraw/zinc/10/54/66/392105466.db2.gz AEIMMDQKHJRTPC-MCIONIFRSA-N 1 0 280.412 1.602 40 0 CDABRO CCc1ccc([C@@H]2[C@@H]([NH3+])[C@H]2S(=O)(=O)CC)cc1 ZINC000252514084 392797123 /nfs/dbraw/zinc/79/71/23/392797123.db2.gz BDLRAUUMHXAQOZ-UPJWGTAASA-N 1 0 253.367 1.477 40 0 CDABRO CC1CC[NH+]([C@H](C(=O)NC(N)=O)c2ccccc2)CC1 ZINC000057406333 393222198 /nfs/dbraw/zinc/22/21/98/393222198.db2.gz CTVVQLVDQLGYOM-ZDUSSCGKSA-N 1 0 275.352 1.655 40 0 CDABRO C[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000257197991 289076647 /nfs/dbraw/zinc/07/66/47/289076647.db2.gz PIMXJHXUJSVPCG-GFCCVEGCSA-N 1 0 299.415 1.454 40 0 CDABRO Cc1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000002710241 169821435 /nfs/dbraw/zinc/82/14/35/169821435.db2.gz KWNJQMMSCWHHFD-LBPRGKRZSA-N 1 0 253.342 1.095 40 0 CDABRO Cc1cccc2cc(CNCCC[NH+](C)C)c(=O)[nH]c12 ZINC000004132829 169936564 /nfs/dbraw/zinc/93/65/64/169936564.db2.gz YJGDPLWSNFYGRE-UHFFFAOYSA-N 1 0 273.380 1.878 40 0 CDABRO COc1cccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c1 ZINC000005831258 170144746 /nfs/dbraw/zinc/14/47/46/170144746.db2.gz UFKVGVHVQKTQAM-NSHDSACASA-N 1 0 253.342 1.823 40 0 CDABRO CCOc1c(CNCCC[NH2+]C)cccc1OC ZINC000008253461 170326962 /nfs/dbraw/zinc/32/69/62/170326962.db2.gz ZYFPSFGJEPPEKE-UHFFFAOYSA-N 1 0 252.358 1.793 40 0 CDABRO COc1cc(C[NH2+]CCO)cc(Br)c1OC ZINC000008469820 170337109 /nfs/dbraw/zinc/33/71/09/170337109.db2.gz QYSQUJNFELYBAL-UHFFFAOYSA-N 1 0 290.157 1.548 40 0 CDABRO COc1ccccc1[C@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000022218019 171376139 /nfs/dbraw/zinc/37/61/39/171376139.db2.gz VYATYFLJNUSCQT-SCRDCRAPSA-N 1 0 264.369 1.804 40 0 CDABRO Cc1ccc(C)c(S(=O)(=O)C2CC[NH2+]CC2)c1 ZINC000071574985 176201933 /nfs/dbraw/zinc/20/19/33/176201933.db2.gz GJMNOBPTOHPQIZ-UHFFFAOYSA-N 1 0 253.367 1.829 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(O)C[NH3+])C1 ZINC000072208058 176343006 /nfs/dbraw/zinc/34/30/06/176343006.db2.gz JIBIFMUBOQYMBV-ZWNOBZJWSA-N 1 0 258.362 1.343 40 0 CDABRO Cn1nccc1C(=O)N[C@H]1CCCC[C@H]1C[NH+](C)C ZINC000072245579 176350072 /nfs/dbraw/zinc/35/00/72/176350072.db2.gz HEDDMWVILPHQQM-RYUDHWBXSA-N 1 0 264.373 1.270 40 0 CDABRO COCCNC(=O)[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C ZINC000072366455 176381863 /nfs/dbraw/zinc/38/18/63/176381863.db2.gz RJRXQMSKSKAGIQ-MRXNPFEDSA-N 1 0 294.370 1.595 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)cc1F ZINC000072397600 176394897 /nfs/dbraw/zinc/39/48/97/176394897.db2.gz VJVHQBVGMRIQIJ-ZLKJLUDKSA-N 1 0 282.334 1.604 40 0 CDABRO COC(=O)[C@H]1C[C@H]1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000077008545 177144809 /nfs/dbraw/zinc/14/48/09/177144809.db2.gz WZDDERZVUPGCGW-KGLIPLIRSA-N 1 0 294.395 1.319 40 0 CDABRO COC[C@H](O)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000077177168 177230871 /nfs/dbraw/zinc/23/08/71/177230871.db2.gz NPUVZNQJNDVSIU-UKRRQHHQSA-N 1 0 267.344 1.697 40 0 CDABRO O=C([C@H]1CCC2(CC[NH2+]CC2)CO1)N1CCCC1 ZINC000096224923 265334290 /nfs/dbraw/zinc/33/42/90/265334290.db2.gz HIIBOMURZGSHEO-GFCCVEGCSA-N 1 0 252.358 1.158 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@@H]1CN(C(=O)C[NH3+])C1CC1 ZINC000079391137 277184673 /nfs/dbraw/zinc/18/46/73/277184673.db2.gz WTVJGNCNOYKARP-GFCCVEGCSA-N 1 0 297.399 1.336 40 0 CDABRO COc1cc2c3nc[nH+]c(NN)c3n(C)c2cc1OC ZINC000408712428 277856268 /nfs/dbraw/zinc/85/62/68/277856268.db2.gz BEFKVGLQOZQLAM-UHFFFAOYSA-N 1 0 273.296 1.424 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@@H]1CCCN1CC[NH3+])C1CC1 ZINC000079408584 278377771 /nfs/dbraw/zinc/37/77/71/278377771.db2.gz GZBIOVQUKOZRHF-ZDUSSCGKSA-N 1 0 283.416 1.809 40 0 CDABRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000075837443 279009989 /nfs/dbraw/zinc/00/99/89/279009989.db2.gz VMDZXINKFCTKOC-FPCVCCKLSA-N 1 0 282.428 1.333 40 0 CDABRO CC(C)CC[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000062717772 519663551 /nfs/dbraw/zinc/66/35/51/519663551.db2.gz AGJBDZNCEAFDTR-UHFFFAOYSA-N 1 0 264.373 1.449 40 0 CDABRO CC(C)c1nccn1C[C@@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000096484731 528372673 /nfs/dbraw/zinc/37/26/73/528372673.db2.gz OQPUCFZDIPNVQJ-IHRRRGAJSA-N 1 0 281.400 1.477 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1coc2ccccc12 ZINC000216976510 1158902424 /nfs/dbraw/zinc/90/24/24/1158902424.db2.gz WNEKBZWFULPOBD-DGCLKSJQSA-N 1 0 260.293 1.149 40 0 CDABRO N#CCCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000016036055 1165640126 /nfs/dbraw/zinc/64/01/26/1165640126.db2.gz SDLAAVSKTBAHSQ-OLZOCXBDSA-N 1 0 257.337 1.571 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Cl)c(F)c1 ZINC001548448288 967500971 /nfs/dbraw/zinc/50/09/71/967500971.db2.gz ZWSXYRZJTSTVLH-GHMZBOCLSA-N 1 0 272.707 1.196 40 0 CDABRO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2cnccn2)n[nH]1 ZINC000095534856 185008505 /nfs/dbraw/zinc/00/85/05/185008505.db2.gz LBEXKAQSMCLQEY-NSHDSACASA-N 1 0 266.308 1.504 40 0 CDABRO CC1(C)[NH2+][C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CO1 ZINC000095913268 185030631 /nfs/dbraw/zinc/03/06/31/185030631.db2.gz PEJXWFVSLBDUGW-ZIAGYGMSSA-N 1 0 290.363 1.980 40 0 CDABRO CC(C)[N@@H+]1CCOC[C@@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049718 185074165 /nfs/dbraw/zinc/07/41/65/185074165.db2.gz WATWUPRTUQZPHO-MRXNPFEDSA-N 1 0 294.395 1.591 40 0 CDABRO O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096053749 185075096 /nfs/dbraw/zinc/07/50/96/185075096.db2.gz LPBJEIWKQSERJG-GASCZTMLSA-N 1 0 297.358 1.879 40 0 CDABRO CN(C)C(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000096057184 185078039 /nfs/dbraw/zinc/07/80/39/185078039.db2.gz WBTITINGPGSSCE-KFWWJZLASA-N 1 0 292.379 1.452 40 0 CDABRO COCC[N@@H+]1CC[C@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000096062294 185083351 /nfs/dbraw/zinc/08/33/51/185083351.db2.gz HPEQOGHBEDDPDD-MRXNPFEDSA-N 1 0 294.395 1.450 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1)CC[C@@H]2OC ZINC000096109400 185099175 /nfs/dbraw/zinc/09/91/75/185099175.db2.gz RMTHSGVXJAFBHS-XHSDSOJGSA-N 1 0 288.391 1.868 40 0 CDABRO C[N@@H+]1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096107309 185099633 /nfs/dbraw/zinc/09/96/33/185099633.db2.gz NFSBYICXZCWYPV-CABCVRRESA-N 1 0 262.353 1.852 40 0 CDABRO CN1C[C@]2(CCC[N@H+](CC3CC(F)(F)C3)C2)C1=O ZINC000585099566 342212186 /nfs/dbraw/zinc/21/21/86/342212186.db2.gz PRZWISQEABXXDC-LBPRGKRZSA-N 1 0 258.312 1.586 40 0 CDABRO CC[C@@H](C)N1C[C@]2(CCCN(Cc3nccn3C)C2)C1=O ZINC000585099358 342212285 /nfs/dbraw/zinc/21/22/85/342212285.db2.gz HMFNBGVAGBXIIB-CZUORRHYSA-N 1 0 290.411 1.643 40 0 CDABRO COCC[N@@H+]1C[C@H]2CCN(C(=O)c3c(C)noc3C)[C@@H]2C1 ZINC000585107666 342213063 /nfs/dbraw/zinc/21/30/63/342213063.db2.gz NOGZLSWUBBWLDB-CHWSQXEVSA-N 1 0 293.367 1.084 40 0 CDABRO COc1cc(OC)c(OC)cc1CNCCC[NH+](C)C ZINC000057901319 539042025 /nfs/dbraw/zinc/04/20/25/539042025.db2.gz MWQZJVJVKUAJRN-UHFFFAOYSA-N 1 0 282.384 1.754 40 0 CDABRO CC1(C)O[C@@](C)([C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1O ZINC000585263059 342250347 /nfs/dbraw/zinc/25/03/47/342250347.db2.gz YNNFOKPEYOHZSE-GZBFAFLISA-N 1 0 283.412 1.854 40 0 CDABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](CCC(N)=O)C2)cc1 ZINC000585269197 342255123 /nfs/dbraw/zinc/25/51/23/342255123.db2.gz LJIOWSLJXGNRCX-INIZCTEOSA-N 1 0 292.379 1.076 40 0 CDABRO C[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CC2)C[C@H]1O ZINC000257310148 362586072 /nfs/dbraw/zinc/58/60/72/362586072.db2.gz UDVWWROVPVIQQR-HUUCEWRRSA-N 1 0 292.354 1.239 40 0 CDABRO Cc1sc(C[NH2+]CCO)cc1Br ZINC000085393240 179048524 /nfs/dbraw/zinc/04/85/24/179048524.db2.gz PIRREDMYUDYBFB-UHFFFAOYSA-N 1 0 250.161 1.901 40 0 CDABRO C[NH+](C)CCNC(=O)CSCc1ccccc1 ZINC000010111499 348734189 /nfs/dbraw/zinc/73/41/89/348734189.db2.gz HRNWMKUGXMQNCC-UHFFFAOYSA-N 1 0 252.383 1.598 40 0 CDABRO COc1cccc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000108534290 186221996 /nfs/dbraw/zinc/22/19/96/186221996.db2.gz VNLGTOGUFCNAOZ-HOTGVXAUSA-N 1 0 276.380 1.600 40 0 CDABRO CNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cnc(C)nc1)C2 ZINC000108535588 186222460 /nfs/dbraw/zinc/22/24/60/186222460.db2.gz WLDHZKNCVXTDRC-ZBFHGGJFSA-N 1 0 288.395 1.523 40 0 CDABRO COCCOc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000062114376 363011199 /nfs/dbraw/zinc/01/11/99/363011199.db2.gz IWGRIPGCZCENIR-NSHDSACASA-N 1 0 264.325 1.260 40 0 CDABRO CC(C)CC(=O)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019446578 356485706 /nfs/dbraw/zinc/48/57/06/356485706.db2.gz QHJYTJSRIQXNRS-GFCCVEGCSA-N 1 0 288.395 1.484 40 0 CDABRO CCN(C(=O)C[NH3+])[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079390876 356988524 /nfs/dbraw/zinc/98/85/24/356988524.db2.gz FOPFLGRUZVXQIR-NWDGAFQWSA-N 1 0 299.415 1.630 40 0 CDABRO CN(C[C@@H]1CCCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408391 356992313 /nfs/dbraw/zinc/99/23/13/356992313.db2.gz DQEKVKHDJBOEIT-LBPRGKRZSA-N 1 0 271.405 1.524 40 0 CDABRO C[C@H]1CN(C(=O)c2ccccc2Br)CC[NH2+]1 ZINC000062672188 357478773 /nfs/dbraw/zinc/47/87/73/357478773.db2.gz MMZVEHNATUEDIQ-VIFPVBQESA-N 1 0 283.169 1.883 40 0 CDABRO [NH3+]CCN1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079411394 358069588 /nfs/dbraw/zinc/06/95/88/358069588.db2.gz WLKOXJASENXZGO-UHFFFAOYSA-N 1 0 277.368 1.336 40 0 CDABRO CC(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)C[N@H+]2C ZINC000585093865 358098947 /nfs/dbraw/zinc/09/89/47/358098947.db2.gz LLHWWQFVDDBVNZ-OAHLLOKOSA-N 1 0 289.379 1.151 40 0 CDABRO COC(=O)CN1CCC([NH2+][C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000136962272 358762862 /nfs/dbraw/zinc/76/28/62/358762862.db2.gz LJSNQFLNZDRDIQ-GJZGRUSLSA-N 1 0 296.411 1.171 40 0 CDABRO Cc1cnc(N2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)nc1 ZINC000096161578 358711067 /nfs/dbraw/zinc/71/10/67/358711067.db2.gz WWYMBLODOPTOGD-GASCZTMLSA-N 1 0 295.390 1.748 40 0 CDABRO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CCOCC2)s1 ZINC000096184895 358714246 /nfs/dbraw/zinc/71/42/46/358714246.db2.gz SODHXFAWVUWYNR-OLZOCXBDSA-N 1 0 294.424 1.618 40 0 CDABRO CCc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N[C@H]3C)o1 ZINC000096201472 358718044 /nfs/dbraw/zinc/71/80/44/358718044.db2.gz WFPIGVQJTGNPRV-LBPRGKRZSA-N 1 0 292.379 1.712 40 0 CDABRO C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1cccnc1)O2 ZINC000096206747 358720148 /nfs/dbraw/zinc/72/01/48/358720148.db2.gz IBQGNWDJSAHRLT-GDBMZVCRSA-N 1 0 289.379 1.455 40 0 CDABRO COCC[N@@H+]1CC[C@@]12CCN(C(=O)Cc1cccs1)C2 ZINC000096228660 358723601 /nfs/dbraw/zinc/72/36/01/358723601.db2.gz YEKDKFVZQKGIAO-OAHLLOKOSA-N 1 0 294.420 1.614 40 0 CDABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](C)CC3)n1 ZINC000096228287 358724130 /nfs/dbraw/zinc/72/41/30/358724130.db2.gz FXTXWNJLEASBAN-UHFFFAOYSA-N 1 0 273.380 1.977 40 0 CDABRO O=C1C[C@]2(CC[N@@H+](CCO)C2)CN1c1cccc(F)c1 ZINC000096239427 358724869 /nfs/dbraw/zinc/72/48/69/358724869.db2.gz SWNBLDFMJTWMGU-HNNXBMFYSA-N 1 0 278.327 1.247 40 0 CDABRO Cc1ccc(N2C[C@]3(CC[N@H+](CCO)C3)CC2=O)s1 ZINC000096239444 358724907 /nfs/dbraw/zinc/72/49/07/358724907.db2.gz HWKPXGCVETZKSN-CQSZACIVSA-N 1 0 280.393 1.478 40 0 CDABRO O=C([C@@H]1C[C@H]2OCC[N@H+](CC3CC3)[C@@H]2C1)N1CCCC1 ZINC000096251679 358726737 /nfs/dbraw/zinc/72/67/37/358726737.db2.gz AFSXMXLHCVOACT-RRFJBIMHSA-N 1 0 278.396 1.498 40 0 CDABRO CC(C)Oc1ncnc2c1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096255651 358728902 /nfs/dbraw/zinc/72/89/02/358728902.db2.gz SDESNTHNNCKRNZ-ZDUSSCGKSA-N 1 0 291.395 1.701 40 0 CDABRO [NH3+]C[C@H]1CCN(Cc2ccccc2Cl)S1(=O)=O ZINC000222537299 359351818 /nfs/dbraw/zinc/35/18/18/359351818.db2.gz CGFUPRUYEAACNA-SNVBAGLBSA-N 1 0 274.773 1.203 40 0 CDABRO CCc1oc(C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1C ZINC000225570832 359530498 /nfs/dbraw/zinc/53/04/98/359530498.db2.gz OGQNZFRNVKGJOK-RYUDHWBXSA-N 1 0 280.368 1.729 40 0 CDABRO C[NH+](C)CCNC(=O)c1ccc2oc(Cl)nc2c1 ZINC000225975110 359637081 /nfs/dbraw/zinc/63/70/81/359637081.db2.gz YCHGLOJVKFEYRN-UHFFFAOYSA-N 1 0 267.716 1.773 40 0 CDABRO CSC(C)(C)CNC(=O)NC1CC[NH+](C)CC1 ZINC000073485592 360492515 /nfs/dbraw/zinc/49/25/15/360492515.db2.gz DPEABLIESFFCSX-UHFFFAOYSA-N 1 0 259.419 1.521 40 0 CDABRO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000225532535 361075114 /nfs/dbraw/zinc/07/51/14/361075114.db2.gz GKNREJQFUSJDDI-QWHCGFSZSA-N 1 0 286.416 1.765 40 0 CDABRO C[C@H](Cc1cccs1)[N@H+](C)CCn1cncn1 ZINC000081575209 374061092 /nfs/dbraw/zinc/06/10/92/374061092.db2.gz MVRJCEVJTMIGIX-LLVKDONJSA-N 1 0 250.371 1.903 40 0 CDABRO CCN1CCC[C@@H]1C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062718503 374168534 /nfs/dbraw/zinc/16/85/34/374168534.db2.gz MBJFPOFESIPLJO-OAHLLOKOSA-N 1 0 289.427 1.651 40 0 CDABRO C[C@H]1CO[C@H](CO)C[N@@H+]1CCCCC1CCOCC1 ZINC000225500406 374562459 /nfs/dbraw/zinc/56/24/59/374562459.db2.gz FJARHYHWFLLGMB-ZFWWWQNUSA-N 1 0 271.401 1.665 40 0 CDABRO CN1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](C)CC2)C1 ZINC000306139014 374970061 /nfs/dbraw/zinc/97/00/61/374970061.db2.gz SNDYXLYBACUTEI-UHFFFAOYSA-N 1 0 298.394 1.206 40 0 CDABRO Cc1nc([C@@H]2CCC[NH2+]C2)ncc1C(=O)N1CCCC1 ZINC000257197987 190009946 /nfs/dbraw/zinc/00/99/46/190009946.db2.gz PERSLDOWAWAITM-GFCCVEGCSA-N 1 0 274.368 1.488 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cn1 ZINC000257208122 190012153 /nfs/dbraw/zinc/01/21/53/190012153.db2.gz BKWFMYLDFZSEAT-CYBMUJFWSA-N 1 0 257.341 1.590 40 0 CDABRO CCC(=O)N1CCC[C@H](c2nnc([C@H]3CCC[NH2+]C3)o2)C1 ZINC000257228441 190016311 /nfs/dbraw/zinc/01/63/11/190016311.db2.gz FTVYUPYYVVVKCK-RYUDHWBXSA-N 1 0 292.383 1.653 40 0 CDABRO CO[C@H]1C[N@H+](Cc2ccnn2C)CC[C@@]12CCCO2 ZINC000257250137 190019924 /nfs/dbraw/zinc/01/99/24/190019924.db2.gz JLDSDEMTLTZEEF-KBPBESRZSA-N 1 0 265.357 1.190 40 0 CDABRO Cn1cncc1CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257269746 190023885 /nfs/dbraw/zinc/02/38/85/190023885.db2.gz MRFFANLYMPYQSX-INIZCTEOSA-N 1 0 270.380 1.909 40 0 CDABRO C[C@]12CCCN(C(=O)c3cccc(=O)[nH]3)[C@@H]1CCC[NH2+]2 ZINC000257277335 190025187 /nfs/dbraw/zinc/02/51/87/190025187.db2.gz NXOGEOHHZWJJEB-DOMZBBRYSA-N 1 0 275.352 1.534 40 0 CDABRO Cc1ncc(-c2cncc(C[C@@H]3CC[NH2+]C3)n2)n1C ZINC000257298150 190028986 /nfs/dbraw/zinc/02/89/86/190028986.db2.gz RKKIRASXZIGUCQ-NSHDSACASA-N 1 0 257.341 1.338 40 0 CDABRO CN(C)C(=O)C[N@@H+]1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257303362 190030157 /nfs/dbraw/zinc/03/01/57/190030157.db2.gz SGWQZAVHHKUZFZ-FOLVSLTJSA-N 1 0 288.391 1.864 40 0 CDABRO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cncn3C)C2)n1 ZINC000257343800 190037809 /nfs/dbraw/zinc/03/78/09/190037809.db2.gz ZULXUHGEJHUSTJ-LBPRGKRZSA-N 1 0 259.357 1.452 40 0 CDABRO [NH3+][C@H]1CCCN(c2cccc(Br)n2)C1 ZINC000040434960 378059272 /nfs/dbraw/zinc/05/92/72/378059272.db2.gz HHZISYJKYGHSPV-QMMMGPOBSA-N 1 0 256.147 1.772 40 0 CDABRO CC(C)[NH2+]C[C@H](O)COCCOc1ccc(F)cc1 ZINC000041690306 379451771 /nfs/dbraw/zinc/45/17/71/379451771.db2.gz QIKWCJKOVRZFSA-ZDUSSCGKSA-N 1 0 271.332 1.580 40 0 CDABRO O=C1c2cccn2[C@H]2C[NH2+]C[C@H]2N1Cc1ccccc1 ZINC000306124844 285026826 /nfs/dbraw/zinc/02/68/26/285026826.db2.gz CATAUEMTKPLIJY-LSDHHAIUSA-N 1 0 267.332 1.657 40 0 CDABRO C[N@@H+](CC(=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393353 390421259 /nfs/dbraw/zinc/42/12/59/390421259.db2.gz KLKISZADWOFJCZ-CQSZACIVSA-N 1 0 262.353 1.525 40 0 CDABRO Cc1cc(N2CC[NH2+]CC2)ncc1[C@H](O)c1ccccc1 ZINC000072223579 390623894 /nfs/dbraw/zinc/62/38/94/390623894.db2.gz RDNDXRRGSCLNPL-QGZVFWFLSA-N 1 0 283.375 1.881 40 0 CDABRO COc1c2c(cc3c1C[N@H+](CP)CC3)OCO2 ZINC000095470459 390911151 /nfs/dbraw/zinc/91/11/51/390911151.db2.gz ZLBKBYBYUBBGIB-UHFFFAOYSA-N 1 0 253.238 1.615 40 0 CDABRO COC[C@@H](O)C[N@@H+]1C[C@@H](c2ccsc2)C[C@H]1C ZINC000096421807 391189604 /nfs/dbraw/zinc/18/96/04/391189604.db2.gz CEZFHQKVRBAQLO-WXHSDQCUSA-N 1 0 255.383 1.933 40 0 CDABRO O=C(C1CCC1)N1Cc2cncn2[C@@H](C[NH+]2CCCC2)C1 ZINC000247832332 391421895 /nfs/dbraw/zinc/42/18/95/391421895.db2.gz LMTUYZOUNOHEGI-HNNXBMFYSA-N 1 0 288.395 1.662 40 0 CDABRO OCCOc1cccc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)c1 ZINC000257322782 391649877 /nfs/dbraw/zinc/64/98/77/391649877.db2.gz WHJLDMREONBYKA-CQSZACIVSA-N 1 0 287.363 1.770 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@H]1C[NH3+] ZINC000218614745 130770530 /nfs/dbraw/zinc/77/05/30/130770530.db2.gz XVHGYMBGPQNORA-GRYCIOLGSA-N 1 0 257.330 1.301 40 0 CDABRO CCC[N@@H+]1CC[C@@H](CO)N(C)c2nc(C)ccc2C1 ZINC000225494560 393070564 /nfs/dbraw/zinc/07/05/64/393070564.db2.gz FOGBQKCACFMEKT-AWEZNQCLSA-N 1 0 263.385 1.803 40 0 biogenic,in-vitro CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000004969408 170046935 /nfs/dbraw/zinc/04/69/35/170046935.db2.gz CXABUZLGGVHQRG-HZSPNIEDSA-N 1 0 269.433 1.706 40 0 CDABRO NC(=O)[C@]1(Br)C=[N+](Cc2ccccc2)CCC1 ZINC000005811271 170142150 /nfs/dbraw/zinc/14/21/50/170142150.db2.gz ILUQBDFSDVGEQS-CYBMUJFWSA-O 1 0 296.188 1.683 40 0 CDABRO COc1cc(C[NH2+]Cc2cnn(C)c2C)ccc1O ZINC000020352611 171156794 /nfs/dbraw/zinc/15/67/94/171156794.db2.gz DPNZAMFDGUELFQ-UHFFFAOYSA-N 1 0 261.325 1.733 40 0 CDABRO CC(C)[NH2+]CC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000021985900 171345398 /nfs/dbraw/zinc/34/53/98/171345398.db2.gz BKXGLPPAZWSLEH-UHFFFAOYSA-N 1 0 270.354 1.239 40 0 in-vitro CDABRO CCOC(=O)c1nn(-c2ccccc2)[n+](-c2ccccc2)n1 ZINC000071255645 176095577 /nfs/dbraw/zinc/09/55/77/176095577.db2.gz ROUNXDUVSMXLSK-UHFFFAOYSA-N 1 0 295.322 1.721 40 0 CDABRO O=C(c1cccc([C@H]2CCC[NH2+]C2)n1)N1CCOCC1 ZINC000072348382 176373328 /nfs/dbraw/zinc/37/33/28/176373328.db2.gz KCUVNTMBAREIGE-LBPRGKRZSA-N 1 0 275.352 1.021 40 0 CDABRO Cc1cc(-n2ccnc2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072382905 176388488 /nfs/dbraw/zinc/38/84/88/176388488.db2.gz RFEOHSYRKXOEOF-LBPRGKRZSA-N 1 0 257.341 1.780 40 0 CDABRO Cc1nc(N[C@H]2CCCOC2)cc(C2CC[NH2+]CC2)n1 ZINC000072386907 176392063 /nfs/dbraw/zinc/39/20/63/176392063.db2.gz ZOKBEBROWADWJV-ZDUSSCGKSA-N 1 0 276.384 1.843 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1CCCc1ccccc1 ZINC000072397651 176394793 /nfs/dbraw/zinc/39/47/93/176394793.db2.gz FRDMDTTUQBHAQV-HYVNUMGLSA-N 1 0 274.408 1.759 40 0 CDABRO Cc1nn(CC(=O)N[C@H]2C[NH+]3CCC2CC3)c(C)c1C ZINC000072397972 176395429 /nfs/dbraw/zinc/39/54/29/176395429.db2.gz PNLHQJACALIKDJ-AWEZNQCLSA-N 1 0 276.384 1.019 40 0 CDABRO CCCN(CC(N)=[NH2+])S(=O)(=O)c1ccccc1 ZINC000079785973 177558618 /nfs/dbraw/zinc/55/86/18/177558618.db2.gz NQKPXXIPGOCTCX-UHFFFAOYSA-N 1 0 255.343 1.023 40 0 CDABRO O=C1c2cccn2[C@H]2C[NH2+]C[C@@H]2N1Cc1ccccc1 ZINC000306124842 275031413 /nfs/dbraw/zinc/03/14/13/275031413.db2.gz CATAUEMTKPLIJY-GJZGRUSLSA-N 1 0 267.332 1.657 40 0 CDABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096048132 277301354 /nfs/dbraw/zinc/30/13/54/277301354.db2.gz ZCQAYLMQZMGSEF-ZDUSSCGKSA-N 1 0 265.357 1.190 40 0 CDABRO CC(C)n1c(=O)n(CC[NH+]2CCCC2)c2cccnc21 ZINC000012220593 278121542 /nfs/dbraw/zinc/12/15/42/278121542.db2.gz BFELITQSWUEKDX-UHFFFAOYSA-N 1 0 274.368 1.875 40 0 CDABRO O[C@@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000062717809 333176117 /nfs/dbraw/zinc/17/61/17/333176117.db2.gz BYDUCWMRDXPCDK-INIZCTEOSA-N 1 0 298.390 1.900 40 0 CDABRO CC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC000097953559 527952766 /nfs/dbraw/zinc/95/27/66/527952766.db2.gz YHDKQRLXNJEWPA-NFAWXSAZSA-N 1 0 292.379 1.500 40 0 CDABRO CC[NH+]1CCN(c2ccc(NC(C)=O)cc2N)CC1 ZINC000226262956 535747613 /nfs/dbraw/zinc/74/76/13/535747613.db2.gz AHDFOQHSZBIRIR-UHFFFAOYSA-N 1 0 262.357 1.369 40 0 CDABRO COc1ccccc1OCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000237141566 537091370 /nfs/dbraw/zinc/09/13/70/537091370.db2.gz CUQJKRACBJTXKX-LBPRGKRZSA-N 1 0 278.352 1.414 40 0 CDABRO Cc1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000072798666 538430028 /nfs/dbraw/zinc/43/00/28/538430028.db2.gz OLNSRNHAFQNTLZ-AWEZNQCLSA-N 1 0 276.380 1.832 40 0 CDABRO CN1OC2(CC1=O)CC[NH+](Cc1ccncc1)CC2 ZINC001549167492 968051630 /nfs/dbraw/zinc/05/16/30/968051630.db2.gz PKOUOPTVTXKNCQ-UHFFFAOYSA-N 1 0 261.325 1.210 40 0 CDABRO C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[C@@H](C[NH+]1CCCC1)CO2 ZINC000575404319 342451729 /nfs/dbraw/zinc/45/17/29/342451729.db2.gz RUCWSNXROWNORE-ILXRZTDVSA-N 1 0 292.423 1.746 40 0 CDABRO CC[NH+](CC)C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 ZINC000575404706 342451766 /nfs/dbraw/zinc/45/17/66/342451766.db2.gz PCQYPDSKASSRMQ-OAHLLOKOSA-N 1 0 290.411 1.908 40 0 CDABRO CCOC(=O)C1=C(C)NC(=[NH2+])N[C@@H]1c1ccccc1 ZINC000006349557 342494234 /nfs/dbraw/zinc/49/42/34/342494234.db2.gz DSISVHMNQRQRHJ-GFCCVEGCSA-N 1 0 259.309 1.692 40 0 CDABRO COc1ccc(C[NH+]2CCC3(CC2)COCCN3C)cc1 ZINC000096048905 185073530 /nfs/dbraw/zinc/07/35/30/185073530.db2.gz WZVGCAYQIBPNEU-UHFFFAOYSA-N 1 0 290.407 1.992 40 0 CDABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)N(C)C)CC2 ZINC000096051781 185074187 /nfs/dbraw/zinc/07/41/87/185074187.db2.gz UADROWACUCNOIT-AWEZNQCLSA-N 1 0 297.443 1.879 40 0 CDABRO O=C1C[C@]2(CC[N@H+](CC3CC3)C2)CN1c1ccccn1 ZINC000096050811 185074376 /nfs/dbraw/zinc/07/43/76/185074376.db2.gz CNWSXTCOJHZHRU-INIZCTEOSA-N 1 0 271.364 1.920 40 0 CDABRO Fc1cccc(C[NH2+]C[C@@H]2Cn3nncc3CO2)c1 ZINC000096069256 185085213 /nfs/dbraw/zinc/08/52/13/185085213.db2.gz YUUYGPGETZPGDG-CYBMUJFWSA-N 1 0 262.288 1.106 40 0 CDABRO Fc1cccnc1NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC000096078449 185089255 /nfs/dbraw/zinc/08/92/55/185089255.db2.gz CMUFNKVQSPIEAB-RISCZKNCSA-N 1 0 281.331 1.028 40 0 CDABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)N1c1cncnc1 ZINC000096081350 185091024 /nfs/dbraw/zinc/09/10/24/185091024.db2.gz XJBGVXAKVUSHQZ-CABCVRRESA-N 1 0 295.346 1.251 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccoc1C)CC[C@@H]2OC ZINC000096109394 185099347 /nfs/dbraw/zinc/09/93/47/185099347.db2.gz YBQQTLITZGKFGL-ZNMIVQPWSA-N 1 0 292.379 1.769 40 0 CDABRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccccc1OC)C2 ZINC000096110999 185101055 /nfs/dbraw/zinc/10/10/55/185101055.db2.gz KLKOYPLQTIXNBM-GDBMZVCRSA-N 1 0 277.364 1.790 40 0 CDABRO CN1C[C@@]2(CCCN(Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099396 342212135 /nfs/dbraw/zinc/21/21/35/342212135.db2.gz IBXUQXMLWVPWIK-CYBMUJFWSA-N 1 0 280.759 1.184 40 0 CDABRO CCOC(=O)N1CC[C@@](C)(O)[C@@H]([NH+](CC)CC)C1 ZINC000685936099 539098985 /nfs/dbraw/zinc/09/89/85/539098985.db2.gz DXRLAUPLSMQUDG-WCQYABFASA-N 1 0 258.362 1.310 40 0 CDABRO OCCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585290140 342258713 /nfs/dbraw/zinc/25/87/13/342258713.db2.gz TVUPDCXISMMMKB-RRFJBIMHSA-N 1 0 299.798 1.973 40 0 CDABRO COc1ccccc1/C=C\C=N/NC(=O)C[n+]1ccccc1 ZINC000038180347 539143778 /nfs/dbraw/zinc/14/37/78/539143778.db2.gz OONTWLBIHHYWMP-PSGORUFGSA-O 1 0 296.350 1.798 40 0 CDABRO CS[C@@H](C)CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000136172400 362311303 /nfs/dbraw/zinc/31/13/03/362311303.db2.gz UMOVNOLSZYBACU-GWCFXTLKSA-N 1 0 264.394 1.741 40 0 CDABRO Cc1nc(CN2CC[C@@]3(C2)C[NH2+]CCOC3)cs1 ZINC000306141207 201844546 /nfs/dbraw/zinc/84/45/46/201844546.db2.gz VOICZPKUICNCIU-ZDUSSCGKSA-N 1 0 267.398 1.263 40 0 CDABRO CN1C(=O)C2(CC[NH2+]CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257221591 282606924 /nfs/dbraw/zinc/60/69/24/282606924.db2.gz DPTJUIDUCMTYPA-KGLIPLIRSA-N 1 0 274.364 1.321 40 0 CDABRO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@H]2CCOC2)s1 ZINC000107200899 186162974 /nfs/dbraw/zinc/16/29/74/186162974.db2.gz DOPCMFRKOYCASB-UTUOFQBUSA-N 1 0 280.397 1.228 40 0 CDABRO C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000111795571 186458252 /nfs/dbraw/zinc/45/82/52/186458252.db2.gz QKFWJANWEIBVQV-SNVBAGLBSA-N 1 0 298.333 1.911 40 0 CDABRO CSC[C@@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000157140161 188299643 /nfs/dbraw/zinc/29/96/43/188299643.db2.gz YQJZROYJHCRGAJ-WAAKLRNESA-N 1 0 256.415 1.775 40 0 CDABRO CC[NH+](CC)CCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000004748459 356042111 /nfs/dbraw/zinc/04/21/11/356042111.db2.gz IDUJFPXENVIRDQ-MPZDIEGVSA-N 1 0 262.353 1.135 40 0 CDABRO CC(C)c1ccc(CNC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000408707023 356088298 /nfs/dbraw/zinc/08/82/98/356088298.db2.gz IBYBIKRMJGKCFE-UHFFFAOYSA-N 1 0 291.395 1.104 40 0 CDABRO COc1ccc(NC(=S)NCCC[NH+](C)C)c(OC)c1 ZINC000013820721 356359680 /nfs/dbraw/zinc/35/96/80/356359680.db2.gz GEAJNHAEFDFASL-UHFFFAOYSA-N 1 0 297.424 1.942 40 0 CDABRO O=c1ccc(-c2ccccc2)nn1CC1(O)CC[NH2+]CC1 ZINC000019374100 356483733 /nfs/dbraw/zinc/48/37/33/356483733.db2.gz FQIACFJYJGLQOV-UHFFFAOYSA-N 1 0 285.347 1.025 40 0 CDABRO CC[NH+]1CCN(Cc2ccnc(-c3cccnc3)n2)CC1 ZINC000019528219 356490433 /nfs/dbraw/zinc/49/04/33/356490433.db2.gz PXLQPRKZKJTGPV-UHFFFAOYSA-N 1 0 283.379 1.676 40 0 CDABRO CCc1ncc(C[N@@H+]2CCC[C@](C)(C(=O)NC)C2)cn1 ZINC000019745945 356498983 /nfs/dbraw/zinc/49/89/83/356498983.db2.gz UYTRBIDPWGCJIV-HNNXBMFYSA-N 1 0 276.384 1.387 40 0 CDABRO CCC(=O)N1CCc2nnc([C@H]3CCCCN3C)n2CC1 ZINC000019752488 356499883 /nfs/dbraw/zinc/49/98/83/356499883.db2.gz MCDAKWGREGHGHM-GFCCVEGCSA-N 1 0 291.399 1.230 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H](C)c1cnccn1 ZINC000079435833 356996781 /nfs/dbraw/zinc/99/67/81/356996781.db2.gz NMPTVPDYMDUJQB-AAEUAGOBSA-N 1 0 264.373 1.758 40 0 CDABRO C[NH+](C)CCn1ncc2ccc(Br)cc2c1=O ZINC000095095829 366409693 /nfs/dbraw/zinc/40/96/93/366409693.db2.gz ISBPRQHDRDOKCP-UHFFFAOYSA-N 1 0 296.168 1.721 40 0 CDABRO COCCN1C(=O)C[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000096183835 358713117 /nfs/dbraw/zinc/71/31/17/358713117.db2.gz JFFHLNUPNPLJOA-CABCVRRESA-N 1 0 274.364 1.508 40 0 CDABRO COCCN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(C)c(C)o1 ZINC000096183870 358713271 /nfs/dbraw/zinc/71/32/71/358713271.db2.gz QYXZGXAEZBXBES-LSDHHAIUSA-N 1 0 292.379 1.718 40 0 CDABRO Cc1ccc(CN2CCO[C@@]3(C2)COCC[N@@H+](C)C3)s1 ZINC000096229377 358724101 /nfs/dbraw/zinc/72/41/01/358724101.db2.gz VIWTYLKVIUDWKX-HNNXBMFYSA-N 1 0 296.436 1.590 40 0 CDABRO CC(C)n1nc(CNc2ncccn2)c2c1C[N@H+](C)CC2 ZINC000096255953 358728615 /nfs/dbraw/zinc/72/86/15/358728615.db2.gz UPGFZVPBKNUMIS-UHFFFAOYSA-N 1 0 286.383 1.854 40 0 CDABRO Cc1noc(C)c1NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000096268195 358730700 /nfs/dbraw/zinc/73/07/00/358730700.db2.gz AMIJZNISOMRRMO-ZDUSSCGKSA-N 1 0 278.312 1.128 40 0 CDABRO Cc1n[nH]cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292940 358808117 /nfs/dbraw/zinc/80/81/17/358808117.db2.gz PZLFDVZPOFHWCA-BZUAXINKSA-N 1 0 287.363 1.039 40 0 CDABRO NC(=O)[C@@H](O[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000217520602 358809665 /nfs/dbraw/zinc/80/96/65/358809665.db2.gz ZUKXEVOLGLXVLK-NEPJUHHUSA-N 1 0 268.744 1.635 40 0 CDABRO c1ccc(Cc2nsc(N3CC[NH2+]CC3)n2)cc1 ZINC000117759342 359721290 /nfs/dbraw/zinc/72/12/90/359721290.db2.gz JPJDHCFEYYKORM-UHFFFAOYSA-N 1 0 260.366 1.539 40 0 CDABRO CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@H]2[NH3+])cc1 ZINC000218495928 372919075 /nfs/dbraw/zinc/91/90/75/372919075.db2.gz BDLRAUUMHXAQOZ-FRRDWIJNSA-N 1 0 253.367 1.477 40 0 CDABRO Cn1ccnc1C(=O)N1CCC2(CC([NH+](C)C)C2)CC1 ZINC000248022673 189943775 /nfs/dbraw/zinc/94/37/75/189943775.db2.gz FUYPAYCEJHTSFO-UHFFFAOYSA-N 1 0 276.384 1.367 40 0 CDABRO CO[C@@H]1CCN(C(=O)Cc2cccs2)[C@H](C[NH3+])C1 ZINC000161112398 374177720 /nfs/dbraw/zinc/17/77/20/374177720.db2.gz UKLNDPHLDGONKK-WDEREUQCSA-N 1 0 268.382 1.255 40 0 CDABRO Cc1cccc(OC[C@@H](O)CN2CCC[NH2+]CC2)c1C ZINC000064875901 374240699 /nfs/dbraw/zinc/24/06/99/374240699.db2.gz AEABQCKOYCQZBI-HNNXBMFYSA-N 1 0 278.396 1.338 40 0 CDABRO COc1cc(NC2CC[NH2+]CC2)nc(SC)n1 ZINC000079439803 374404934 /nfs/dbraw/zinc/40/49/34/374404934.db2.gz RFNMUCBATNYOMN-UHFFFAOYSA-N 1 0 254.359 1.371 40 0 CDABRO CC(C)CCc1ccc(S(=O)(=O)NCC[NH3+])cc1 ZINC000225477464 374484895 /nfs/dbraw/zinc/48/48/95/374484895.db2.gz RMEJCUVMQQRFFH-UHFFFAOYSA-N 1 0 270.398 1.512 40 0 CDABRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@H](C)[C@H]1CO ZINC000225513281 374629241 /nfs/dbraw/zinc/62/92/41/374629241.db2.gz JLLDCPOUFIYUEK-RRFJBIMHSA-N 1 0 297.443 1.663 40 0 CDABRO O=C(c1cccs1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000225626962 375173680 /nfs/dbraw/zinc/17/36/80/375173680.db2.gz YJDPMDJMFQQMBR-LBPRGKRZSA-N 1 0 280.393 1.419 40 0 CDABRO Cn1ncc(C[NH2+]C[C@@H]2CCCO2)c1C(F)(F)F ZINC000256054056 190004855 /nfs/dbraw/zinc/00/48/55/190004855.db2.gz UTRWTRYYFAHWHR-VIFPVBQESA-N 1 0 263.263 1.708 40 0 CDABRO FC(F)(F)Cn1cc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000256050506 190003391 /nfs/dbraw/zinc/00/33/91/190003391.db2.gz FGULODHIHFMCNC-SNVBAGLBSA-N 1 0 263.263 1.714 40 0 CDABRO Cc1c(C[NH2+]CCN2CCOCC2)cnn1C(C)C ZINC000256052848 190004052 /nfs/dbraw/zinc/00/40/52/190004052.db2.gz OXGPFBRZHYFOGP-UHFFFAOYSA-N 1 0 266.389 1.194 40 0 CDABRO C[C@@H]1[NH2+]CC=CC[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000257198173 190010857 /nfs/dbraw/zinc/01/08/57/190010857.db2.gz VFDWHCQCCOTDNK-FZMZJTMJSA-N 1 0 262.328 1.996 40 0 CDABRO c1ccc(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217557687 375671094 /nfs/dbraw/zinc/67/10/94/375671094.db2.gz BKAVLNSWHLRTMY-GFCCVEGCSA-N 1 0 265.320 1.868 40 0 CDABRO Cc1nccc([C@H]2CCC[N@H+](CC3(O)CCOCC3)C2)n1 ZINC000257203912 190011708 /nfs/dbraw/zinc/01/17/08/190011708.db2.gz ASDXKTGUXIWXOM-AWEZNQCLSA-N 1 0 291.395 1.506 40 0 CDABRO O[C@H]1C[N@H+](CCOc2ccccc2)C[C@@]12CCCO2 ZINC000257214790 190012783 /nfs/dbraw/zinc/01/27/83/190012783.db2.gz CNLCLBXFDLPPHN-GJZGRUSLSA-N 1 0 263.337 1.291 40 0 CDABRO CC(C)([NH3+])C(=O)N1CCC(c2cncc(Cl)n2)CC1 ZINC000257223893 190014903 /nfs/dbraw/zinc/01/49/03/190014903.db2.gz DZJZFAMMGPYTMB-UHFFFAOYSA-N 1 0 282.775 1.573 40 0 CDABRO Nc1cc(CC[C@@H]2CN(Cc3ccccn3)CCO2)cc[nH+]1 ZINC000257243077 190018433 /nfs/dbraw/zinc/01/84/33/190018433.db2.gz IFJSECAKJCJEHH-MRXNPFEDSA-N 1 0 298.390 1.892 40 0 CDABRO Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)C[NH2+]C2 ZINC000257243899 190018448 /nfs/dbraw/zinc/01/84/48/190018448.db2.gz IJAVBNNSILGHKO-JTQLQIEISA-N 1 0 274.299 1.385 40 0 CDABRO COCC(=O)N1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257256351 190021784 /nfs/dbraw/zinc/02/17/84/190021784.db2.gz KLBSTSQLFBKXAD-AWEZNQCLSA-N 1 0 293.367 1.002 40 0 CDABRO COC[C@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001172 375774938 /nfs/dbraw/zinc/77/49/38/375774938.db2.gz ZYNPKUQUMYUHDL-NWDGAFQWSA-N 1 0 289.784 1.478 40 0 CDABRO CCn1cc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)cn1 ZINC000257308711 190031459 /nfs/dbraw/zinc/03/14/59/190031459.db2.gz TXUGBXYPAJNHNG-CQSZACIVSA-N 1 0 279.384 1.409 40 0 CDABRO Cn1cc(-c2cncc(C[C@H]3CC[N@H+](C)C3)n2)cn1 ZINC000257319938 190033639 /nfs/dbraw/zinc/03/36/39/190033639.db2.gz VURDBTJLCGRPNK-LLVKDONJSA-N 1 0 257.341 1.371 40 0 CDABRO O=C(NCC(F)F)c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000257328821 190035116 /nfs/dbraw/zinc/03/51/16/190035116.db2.gz XHFXCPLZPXTKJG-MRVPVSSYSA-N 1 0 255.268 1.501 40 0 CDABRO O=C(c1cnccn1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257338422 190036610 /nfs/dbraw/zinc/03/66/10/190036610.db2.gz YXISRBYPZRPGTM-WCQYABFASA-N 1 0 260.341 1.081 40 0 CDABRO O=C(c1ccsc1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257337515 190036695 /nfs/dbraw/zinc/03/66/95/190036695.db2.gz YTBWPPIWHRTXHO-VXGBXAGGSA-N 1 0 266.366 1.029 40 0 CDABRO Cc1cc(Nc2ncccn2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000257344721 190037817 /nfs/dbraw/zinc/03/78/17/190037817.db2.gz ZYKFDEDSSJFHQR-LLVKDONJSA-N 1 0 270.340 1.786 40 0 CDABRO CCOCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928276 379510964 /nfs/dbraw/zinc/51/09/64/379510964.db2.gz CAOMRHBYXNVAKS-UHFFFAOYSA-N 1 0 277.368 1.451 40 0 CDABRO CCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)C[NH3+] ZINC000079390864 285022609 /nfs/dbraw/zinc/02/26/09/285022609.db2.gz LPVSUJCDRBAKRB-LBPRGKRZSA-N 1 0 299.415 1.583 40 0 CDABRO CC[C@@H]([NH3+])c1ccc(N2CCN(C(C)=O)CC2)nc1C ZINC000072224785 256704362 /nfs/dbraw/zinc/70/43/62/256704362.db2.gz OKNNXWGYOOYMHL-CQSZACIVSA-N 1 0 276.384 1.468 40 0 CDABRO Cc1ccc2c(n1)N(C)CCN(CC[NH+]1CCCC1)C2 ZINC000096199006 256819739 /nfs/dbraw/zinc/81/97/39/256819739.db2.gz YTEGELREJKJPIU-UHFFFAOYSA-N 1 0 274.412 1.738 40 0 CDABRO Cn1cc(N2C(=O)C[C@H]3[C@H]2CC[N@@H+]3CC2CC2)cn1 ZINC000248080036 390456738 /nfs/dbraw/zinc/45/67/38/390456738.db2.gz AHCCEGFPJCDNCA-OLZOCXBDSA-N 1 0 260.341 1.010 40 0 CDABRO CC(C)OC(=O)[C@H]1CC[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000096510337 390530683 /nfs/dbraw/zinc/53/06/83/390530683.db2.gz GXNVKSKNYMQVPW-QWRGUYRKSA-N 1 0 286.372 1.441 40 0 CDABRO O=c1c2c(nc3[nH]cnn31)CC[N@@H+](Cc1ccccc1)C2 ZINC000035314871 285380328 /nfs/dbraw/zinc/38/03/28/285380328.db2.gz QNRSGYCJHJZCRV-UHFFFAOYSA-N 1 0 281.319 1.388 40 0 CDABRO Cc1nn(C)c(C)c1CN(C)C[C@H]1CCC[NH2+]C1 ZINC000096523675 390537421 /nfs/dbraw/zinc/53/74/21/390537421.db2.gz OTTVSLFTPORGKR-ZDUSSCGKSA-N 1 0 250.390 1.468 40 0 CDABRO Cc1ccc(-c2nsc(N3CC[NH2+]CC3)n2)cc1 ZINC000144117405 390947031 /nfs/dbraw/zinc/94/70/31/390947031.db2.gz YSWNXLSPRXZHPT-UHFFFAOYSA-N 1 0 260.366 1.923 40 0 CDABRO CS(=O)(=O)[C@H]1[C@@H](C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218513682 391075680 /nfs/dbraw/zinc/07/56/80/391075680.db2.gz PMYFSPNGJWZBLC-DCAQKATOSA-N 1 0 259.758 1.425 40 0 CDABRO COc1cc(C[NH2+]C[C@@H](C)O)cc(OC)c1OC ZINC000008535058 170339124 /nfs/dbraw/zinc/33/91/24/170339124.db2.gz FKCBAZQXBSGXJL-SECBINFHSA-N 1 0 255.314 1.183 40 0 CDABRO CN(C)S(=O)(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000019726802 170845592 /nfs/dbraw/zinc/84/55/92/170845592.db2.gz XFVTUJPHLAAYDW-UHFFFAOYSA-N 1 0 282.409 1.479 40 0 CDABRO C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000020302307 171139820 /nfs/dbraw/zinc/13/98/20/171139820.db2.gz LRIJKAMGBKFPQD-UHFFFAOYSA-N 1 0 290.104 1.449 40 0 CDABRO CC(C)(C)OC(=O)CC[NH2+]CCN1CCCCC1 ZINC000022588561 171393131 /nfs/dbraw/zinc/39/31/31/171393131.db2.gz QQJZBOQOPUTGHV-UHFFFAOYSA-N 1 0 256.390 1.794 40 0 CDABRO COCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832979 174157533 /nfs/dbraw/zinc/15/75/33/174157533.db2.gz QFPYHQWMPGULOQ-HNNXBMFYSA-N 1 0 276.380 1.661 40 0 CDABRO O=C(Cc1ccc(F)cc1)NCCC[NH+]1CCCC1 ZINC000044870987 175268579 /nfs/dbraw/zinc/26/85/79/175268579.db2.gz KHKGZAKUEPAMKU-UHFFFAOYSA-N 1 0 264.344 1.970 40 0 CDABRO CCn1nc(C)c2ncnc(NCCC[NH+](C)C)c21 ZINC000057280066 175590881 /nfs/dbraw/zinc/59/08/81/175590881.db2.gz CPYVWIPLMDMFNZ-UHFFFAOYSA-N 1 0 262.361 1.518 40 0 CDABRO COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]CC(C)C)cc1 ZINC000072321649 176368786 /nfs/dbraw/zinc/36/87/86/176368786.db2.gz HUGNZLHOLIIFOE-KLHDSHLOSA-N 1 0 279.380 1.519 40 0 biogenic,in-vitro CDABRO Cc1ccnc(NC(=O)c2cnc([C@@H]3CCC[NH2+]C3)cn2)c1 ZINC000072365650 176381107 /nfs/dbraw/zinc/38/11/07/176381107.db2.gz DOUFTYXNCHURAE-GFCCVEGCSA-N 1 0 297.362 1.899 40 0 CDABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@@H](CO)C1)OCO2 ZINC000072397877 176395620 /nfs/dbraw/zinc/39/56/20/176395620.db2.gz PXJVUWDPNBJNIO-GFCCVEGCSA-N 1 0 263.337 1.928 40 0 CDABRO CNC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1C(=O)NC(C)C ZINC000096112948 265329800 /nfs/dbraw/zinc/32/98/00/265329800.db2.gz UWFJCDUDKOWDNU-QWHCGFSZSA-N 1 0 283.416 1.136 40 0 biogenic,in-vitro CDABRO CC(C)(C)OC(=O)N1CCC[C@H](N2CC([NH3+])C2)C1 ZINC000039952025 275824119 /nfs/dbraw/zinc/82/41/19/275824119.db2.gz PFNAADUCAQFVNU-NSHDSACASA-N 1 0 255.362 1.029 40 0 CDABRO C[NH2+]CC1(O)CCN(c2cc(C)nc3ccncc32)CC1 ZINC000257322168 277264610 /nfs/dbraw/zinc/26/46/10/277264610.db2.gz WEVFJJOTDCMPCF-UHFFFAOYSA-N 1 0 286.379 1.489 40 0 CDABRO CC(=O)N(C1CC1)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079418134 277968773 /nfs/dbraw/zinc/96/87/73/277968773.db2.gz HMORCFYIDHFFMX-KKUMJFAQSA-N 1 0 295.427 1.408 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)C1CC[NH+](CCO)CC1 ZINC000079408210 278377044 /nfs/dbraw/zinc/37/70/44/278377044.db2.gz CQPWHWBESRFHGT-UHFFFAOYSA-N 1 0 284.400 1.843 40 0 CDABRO Cc1cnc(N2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)nc1 ZINC000096158620 279014623 /nfs/dbraw/zinc/01/46/23/279014623.db2.gz FMYUIHQLPBCGHT-CYBMUJFWSA-N 1 0 276.384 1.475 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079409263 279299681 /nfs/dbraw/zinc/29/96/81/279299681.db2.gz VBFPJQJIDUCNOW-GFCCVEGCSA-N 1 0 299.415 1.582 40 0 CDABRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000125117641 279338847 /nfs/dbraw/zinc/33/88/47/279338847.db2.gz HTSJNNVPSBIAJK-JHJVBQTASA-N 1 0 256.390 1.382 40 0 CDABRO CNC(=O)C(C)(C)C[NH2+][C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000183835673 290347249 /nfs/dbraw/zinc/34/72/49/290347249.db2.gz INYCXPNRCBDPPO-WOPDTQHZSA-N 1 0 268.401 1.552 40 0 CDABRO C[NH+](C)[C@H]1COC[C@@H]1Oc1ncccc1C(F)(F)F ZINC000585655242 1160096716 /nfs/dbraw/zinc/09/67/16/1160096716.db2.gz YNUVPMRUSIGQQU-UWVGGRQHSA-N 1 0 276.258 1.808 40 0 CDABRO CSCC[C@@H]([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000131170589 525541708 /nfs/dbraw/zinc/54/17/08/525541708.db2.gz AHHHAAGGVNJIMM-GFCCVEGCSA-N 1 0 250.367 1.609 40 0 CDABRO C[C@@]1(C(F)(F)F)CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000709547806 785936459 /nfs/dbraw/zinc/93/64/59/785936459.db2.gz LLVAJVOQTFKWMZ-SECBINFHSA-N 1 0 250.264 1.669 40 0 CDABRO CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C)o2)O1 ZINC000096057365 185077462 /nfs/dbraw/zinc/07/74/62/185077462.db2.gz JCTBJCNEXZHMHH-MCIONIFRSA-N 1 0 278.352 1.456 40 0 CDABRO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccn2)s1 ZINC000096055865 185077517 /nfs/dbraw/zinc/07/75/17/185077517.db2.gz NFKFYSZRZJNWMS-OLZOCXBDSA-N 1 0 287.392 1.786 40 0 CDABRO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CC2)s1 ZINC000096055871 185077728 /nfs/dbraw/zinc/07/77/28/185077728.db2.gz WFQLNQIMVHSBHQ-MNOVXSKESA-N 1 0 250.371 1.601 40 0 CDABRO C[NH+](C)C[C@]12COC[C@H]1CN(Cc1ccc(F)c(F)c1)C2 ZINC000096108259 185099242 /nfs/dbraw/zinc/09/92/42/185099242.db2.gz PFOPBEMUESZDTQ-CJNGLKHVSA-N 1 0 296.361 1.975 40 0 CDABRO O=C(NCCc1ccccc1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096110013 185099622 /nfs/dbraw/zinc/09/96/22/185099622.db2.gz VAZHRIBTTGGDLY-OAHLLOKOSA-N 1 0 288.391 1.647 40 0 CDABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103493 342212809 /nfs/dbraw/zinc/21/28/09/342212809.db2.gz HJCUHOJDAUKPOW-CYBMUJFWSA-N 1 0 298.402 1.838 40 0 CDABRO CC(C)[N@H+]1Cc2cccn2C[C@@H](Oc2ncccn2)C1 ZINC000585112963 342213622 /nfs/dbraw/zinc/21/36/22/342213622.db2.gz XDQXLZWDOQMTBV-CQSZACIVSA-N 1 0 272.352 1.950 40 0 CDABRO C[C@@H](C(=O)NCc1ccc(=O)[nH]c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000164241823 361997862 /nfs/dbraw/zinc/99/78/62/361997862.db2.gz XLBGFCDFMSQSGK-UTUOFQBUSA-N 1 0 277.368 1.665 40 0 CDABRO C[NH+](C)CC(=O)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585274890 342255909 /nfs/dbraw/zinc/25/59/09/342255909.db2.gz QWGCYZWXBUEPBV-HIFRSBDPSA-N 1 0 294.370 1.139 40 0 CDABRO CCc1nc(-c2cncnc2[C@H]2CCC[NH2+]C2)no1 ZINC000072354418 342281159 /nfs/dbraw/zinc/28/11/59/342281159.db2.gz XUQFEQMUSFTDFW-VIFPVBQESA-N 1 0 259.313 1.556 40 0 CDABRO COCC[N@@H+]1CCC[C@@H]1c1nc(C)ncc1CNC(C)=O ZINC000257235447 362579040 /nfs/dbraw/zinc/57/90/40/362579040.db2.gz GXWIPYVDZFYGFD-CQSZACIVSA-N 1 0 292.383 1.204 40 0 CDABRO COc1cc(OC)c(C(N)=[NH2+])cc1Br ZINC000256052205 345289169 /nfs/dbraw/zinc/28/91/69/345289169.db2.gz MIKPVMQPPIJCQC-UHFFFAOYSA-N 1 0 259.103 1.750 40 0 CDABRO COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]C(C)C)O2)no1 ZINC000085435927 179062180 /nfs/dbraw/zinc/06/21/80/179062180.db2.gz KETWHUOOSOJNHB-AEGPPILISA-N 1 0 298.383 1.270 40 0 biogenic,in-vitro CDABRO Cc1nc([C@@H]2CCC[NH2+]C2)ncc1C(=O)NCC1CC1 ZINC000019766894 348736028 /nfs/dbraw/zinc/73/60/28/348736028.db2.gz NMNCWCKBSNKVMU-GFCCVEGCSA-N 1 0 274.368 1.392 40 0 CDABRO CCN1CC[C@@]2(CCC[N@H+](C[C@H]3CCOC3)C2)C1=O ZINC000107229124 186163138 /nfs/dbraw/zinc/16/31/38/186163138.db2.gz MXXXYCCCNQEWCF-UKRRQHHQSA-N 1 0 266.385 1.357 40 0 CDABRO O=C(c1cccs1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000109521866 186259577 /nfs/dbraw/zinc/25/95/77/186259577.db2.gz LYIDTNGQPGOVNM-CYBMUJFWSA-N 1 0 250.367 1.964 40 0 CDABRO Cn1ccc2c1C[NH2+]Cc1cn(Cc3cccnc3)nc1-2 ZINC000306141110 282722046 /nfs/dbraw/zinc/72/20/46/282722046.db2.gz VLNPVUXKPVFTKJ-UHFFFAOYSA-N 1 0 279.347 1.935 40 0 CDABRO O=C(N[C@H]1CCC[C@H](CO)C1)C1C[NH+](C2CCCCC2)C1 ZINC000334057348 363407967 /nfs/dbraw/zinc/40/79/67/363407967.db2.gz WCSLOMZNMSSVTP-ZFWWWQNUSA-N 1 0 294.439 1.918 40 0 CDABRO CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000002699724 355978908 /nfs/dbraw/zinc/97/89/08/355978908.db2.gz DBKOPMBQVCNBGL-QWRGUYRKSA-N 1 0 273.760 1.440 40 0 CDABRO CC[NH+](CC)CCN(C)C(=O)C(=O)c1ccccc1 ZINC000001710967 355948705 /nfs/dbraw/zinc/94/87/05/355948705.db2.gz ZUYDYKDWZLWPJA-UHFFFAOYSA-N 1 0 262.353 1.670 40 0 CDABRO c1nn2cccnc2c1CN1CCC([NH+]2CCCC2)CC1 ZINC000019715803 356497012 /nfs/dbraw/zinc/49/70/12/356497012.db2.gz JLRGDMSXFSWXND-UHFFFAOYSA-N 1 0 285.395 1.790 40 0 CDABRO CCC(=O)N1CCc2nnc([C@@H]3CCCCN3C)n2CC1 ZINC000019752486 356499918 /nfs/dbraw/zinc/49/99/18/356499918.db2.gz MCDAKWGREGHGHM-LBPRGKRZSA-N 1 0 291.399 1.230 40 0 CDABRO CC(C)c1ccccc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000022030738 356597978 /nfs/dbraw/zinc/59/79/78/356597978.db2.gz SVDQKJGGPAZMQT-HNNXBMFYSA-N 1 0 292.423 1.797 40 0 CDABRO CCN(C(=O)C[NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079390863 356988724 /nfs/dbraw/zinc/98/87/24/356988724.db2.gz MBXNBMWPTHBVAY-UHFFFAOYSA-N 1 0 285.388 1.193 40 0 CDABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2cccnc2)C1 ZINC000046967437 357151190 /nfs/dbraw/zinc/15/11/90/357151190.db2.gz ROMNNZSYXKYKQS-ZDUSSCGKSA-N 1 0 261.369 1.933 40 0 CDABRO Cc1ccsc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932513 357949391 /nfs/dbraw/zinc/94/93/91/357949391.db2.gz DFFZSMVMBMPKMY-LLVKDONJSA-N 1 0 250.367 1.977 40 0 CDABRO COCC[N@@H+]1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039924 358706240 /nfs/dbraw/zinc/70/62/40/358706240.db2.gz QASASMSFTLZCOM-HZPDHXFCSA-N 1 0 283.412 1.931 40 0 CDABRO CN1c2ccccc2C2(CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000096161103 358710998 /nfs/dbraw/zinc/71/09/98/358710998.db2.gz UDTULECGZPIERD-CYBMUJFWSA-N 1 0 286.375 1.786 40 0 CDABRO Fc1cnc(N2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000096183287 358713062 /nfs/dbraw/zinc/71/30/62/358713062.db2.gz VWPNXGVZUPGRHO-UONOGXRCSA-N 1 0 292.358 1.305 40 0 CDABRO Cc1ccc(NCc2cn3c(n2)C[N@@H+](CC2CC2)CC3)nn1 ZINC000096197530 358716489 /nfs/dbraw/zinc/71/64/89/358716489.db2.gz FTSBKDDINLGMDA-UHFFFAOYSA-N 1 0 298.394 1.819 40 0 CDABRO C[N@@H+]1CC[C@]2(C1)COCCN(C(=O)Cc1ccsc1)C2 ZINC000096201947 358719129 /nfs/dbraw/zinc/71/91/29/358719129.db2.gz PPTQNOFWAPWTIY-OAHLLOKOSA-N 1 0 294.420 1.471 40 0 CDABRO CN(C)C(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCCC1)O2 ZINC000096206539 358720123 /nfs/dbraw/zinc/72/01/23/358720123.db2.gz CSHVDCNOJKYYSK-GDBMZVCRSA-N 1 0 295.427 1.777 40 0 CDABRO CO[C@H]1CC[NH2+][C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096217821 358722129 /nfs/dbraw/zinc/72/21/29/358722129.db2.gz BOKKEPQERABWRI-XQQFMLRXSA-N 1 0 267.398 1.260 40 0 CDABRO CC(C)C[N@@H+]1C[C@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1 ZINC000096245134 358725027 /nfs/dbraw/zinc/72/50/27/358725027.db2.gz MNNLIPACERUJGU-GJZGRUSLSA-N 1 0 273.380 1.628 40 0 CDABRO COCC[NH2+]Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013998751 358826927 /nfs/dbraw/zinc/82/69/27/358826927.db2.gz KWPKNGWSEASHKY-UHFFFAOYSA-N 1 0 260.337 1.881 40 0 CDABRO CCCCO[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1(C)C ZINC000095407257 360581603 /nfs/dbraw/zinc/58/16/03/360581603.db2.gz PYFLVOMQWNGHTF-AGIUHOORSA-N 1 0 268.401 1.791 40 0 CDABRO COc1cc(C(N)=[NH2+])cc(Br)c1OC ZINC000199769210 189683757 /nfs/dbraw/zinc/68/37/57/189683757.db2.gz GZYCAHLEWOCZMM-UHFFFAOYSA-N 1 0 259.103 1.750 40 0 CDABRO CCn1ncc2c1C[NH2+]C[C@H]2COc1cccnc1 ZINC000306130967 367315137 /nfs/dbraw/zinc/31/51/37/367315137.db2.gz JTPPUVMYCSWGPH-NSHDSACASA-N 1 0 258.325 1.564 40 0 CDABRO CCc1oc(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1C ZINC000225570911 189757803 /nfs/dbraw/zinc/75/78/03/189757803.db2.gz OGQNZFRNVKGJOK-VXGBXAGGSA-N 1 0 280.368 1.729 40 0 CDABRO Cc1c(Br)cccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000130744310 373510990 /nfs/dbraw/zinc/51/09/90/373510990.db2.gz DQGORUGTJDAOBC-SECBINFHSA-N 1 0 283.169 1.931 40 0 CDABRO Cc1c(Br)cccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000130787478 373656818 /nfs/dbraw/zinc/65/68/18/373656818.db2.gz DQGORUGTJDAOBC-VIFPVBQESA-N 1 0 283.169 1.931 40 0 CDABRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C(C)(C)C1 ZINC000253408220 373710485 /nfs/dbraw/zinc/71/04/85/373710485.db2.gz XFRLPXUYZNWSDS-OAHLLOKOSA-N 1 0 287.407 1.537 40 0 biogenic,in-vitro CDABRO Cc1noc(CN2CC[NH+](CCCCCF)CC2)n1 ZINC000225466526 374468893 /nfs/dbraw/zinc/46/88/93/374468893.db2.gz GNMNRQPENFIFRI-UHFFFAOYSA-N 1 0 270.352 1.635 40 0 CDABRO COC[C@@H]1CCC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000079090931 374768772 /nfs/dbraw/zinc/76/87/72/374768772.db2.gz XNCWSQMXYLXBBQ-GFCCVEGCSA-N 1 0 282.409 1.723 40 0 CDABRO COc1ccccc1OCCN1CCC[NH2+]CC1 ZINC000041307013 375563625 /nfs/dbraw/zinc/56/36/25/375563625.db2.gz GLZHLVZVHPTYKU-UHFFFAOYSA-N 1 0 250.342 1.369 40 0 CDABRO C[C@H]1CN(c2cc(CC3CC[NH2+]CC3)ncn2)C(=O)O1 ZINC000257205374 190011707 /nfs/dbraw/zinc/01/17/07/190011707.db2.gz AYSXSQLLTUZVGD-JTQLQIEISA-N 1 0 276.340 1.364 40 0 CDABRO Cn1cc(C[NH+]2CCC(c3ccnc4ccnn43)CC2)cn1 ZINC000257231641 190016289 /nfs/dbraw/zinc/01/62/89/190016289.db2.gz GHPJPVSFMHFHOO-UHFFFAOYSA-N 1 0 296.378 1.842 40 0 CDABRO Cc1n[nH]c(C)c1-c1cncc(C[C@H]2CC[NH2+]C2)n1 ZINC000257235676 190016922 /nfs/dbraw/zinc/01/69/22/190016922.db2.gz GYWJQDGYCRJCMK-LLVKDONJSA-N 1 0 257.341 1.636 40 0 CDABRO C[N@@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000257250991 190019844 /nfs/dbraw/zinc/01/98/44/190019844.db2.gz JOWRMDFCZQMDBB-UHFFFAOYSA-N 1 0 285.351 1.045 40 0 CDABRO C[N@H+](Cc1ccnc([C@@H]2CCCO2)n1)C1CCOCC1 ZINC000257251290 190020269 /nfs/dbraw/zinc/02/02/69/190020269.db2.gz JQCZBSBOBRWAHS-AWEZNQCLSA-N 1 0 277.368 1.939 40 0 CDABRO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000257269718 190024099 /nfs/dbraw/zinc/02/40/99/190024099.db2.gz MRBYRVUNCKKYIP-NSHDSACASA-N 1 0 288.351 1.694 40 0 CDABRO CO[C@H]1C[N@H+](Cc2scnc2C)C[C@@]12CCCO2 ZINC000257272247 190024142 /nfs/dbraw/zinc/02/41/42/190024142.db2.gz NBPQOMWVNPHBMX-STQMWFEESA-N 1 0 268.382 1.831 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@H](c2ccccc2)[C@@]1(C[NH3+])COC ZINC000218025685 375778798 /nfs/dbraw/zinc/77/87/98/375778798.db2.gz CPXWCVFFZLXJNZ-MELADBBJSA-N 1 0 283.393 1.179 40 0 CDABRO CCn1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cn1 ZINC000257291813 190027746 /nfs/dbraw/zinc/02/77/46/190027746.db2.gz QISFCHDZJLDADW-KBPBESRZSA-N 1 0 265.357 1.019 40 0 CDABRO C[N@@H+]1CCC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 ZINC000257298580 190029557 /nfs/dbraw/zinc/02/95/57/190029557.db2.gz RMIXBBJMKLLAAL-GFCCVEGCSA-N 1 0 284.363 1.979 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@H]1C[NH3+] ZINC000218508402 375852254 /nfs/dbraw/zinc/85/22/54/375852254.db2.gz DGAWDQKYHGEZIB-FRRDWIJNSA-N 1 0 253.367 1.470 40 0 CDABRO CN1CC[NH2+]C[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000257320930 190033456 /nfs/dbraw/zinc/03/34/56/190033456.db2.gz VZIVEQIACUVVLE-OAHLLOKOSA-N 1 0 288.395 1.129 40 0 CDABRO Cc1ccncc1C[NH2+]CC1(C(N)=O)CCOCC1 ZINC000331046981 376479818 /nfs/dbraw/zinc/47/98/18/376479818.db2.gz VHUSZUMWTKSZIN-UHFFFAOYSA-N 1 0 263.341 1.812 40 0 CDABRO C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000331166243 376647557 /nfs/dbraw/zinc/64/75/57/376647557.db2.gz BGCOPQSAOAZNBG-TUAOUCFPSA-N 1 0 263.403 1.093 40 0 CDABRO CC[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069472750 378118908 /nfs/dbraw/zinc/11/89/08/378118908.db2.gz TXNAZQHOLLNFJL-KBPBESRZSA-N 1 0 297.443 1.854 40 0 CDABRO CCN(C[C@@H]1CCCCN1C(=O)C[NH3+])C(=O)OC(C)(C)C ZINC000079409164 285022668 /nfs/dbraw/zinc/02/26/68/285022668.db2.gz GRORILYWXIXELV-LBPRGKRZSA-N 1 0 299.415 1.583 40 0 CDABRO CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)C[NH3+] ZINC000079390866 285082776 /nfs/dbraw/zinc/08/27/76/285082776.db2.gz LPVSUJCDRBAKRB-GFCCVEGCSA-N 1 0 299.415 1.583 40 0 CDABRO O=C(NC[C@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ccccc1 ZINC000096207395 256824252 /nfs/dbraw/zinc/82/42/52/256824252.db2.gz HDCFGFDFRWAXSQ-GDBMZVCRSA-N 1 0 274.364 1.718 40 0 CDABRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000096215226 256825033 /nfs/dbraw/zinc/82/50/33/256825033.db2.gz RVNWPTBSTOMODB-ZDUSSCGKSA-N 1 0 265.382 1.701 40 0 CDABRO CC[C@@H]([C@@H]([NH3+])c1cccc(N)c1)S(=O)(=O)CC ZINC000096524949 390539591 /nfs/dbraw/zinc/53/95/91/390539591.db2.gz KHFGTRUQMISORT-RYUDHWBXSA-N 1 0 256.371 1.482 40 0 CDABRO COCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000069418292 390591088 /nfs/dbraw/zinc/59/10/88/390591088.db2.gz WWJVXVINKJWGRF-UHFFFAOYSA-N 1 0 263.341 1.023 40 0 CDABRO Cc1cc([C@@H]2CCC[N@H+]2C)cnc1N1CCOCC1 ZINC000072219325 390623009 /nfs/dbraw/zinc/62/30/09/390623009.db2.gz ZFVUBUVXLUXHGD-AWEZNQCLSA-N 1 0 261.369 1.993 40 0 CDABRO CN1CCOCC12CC[NH+](CC1CCOCC1)CC2 ZINC000096048908 390912345 /nfs/dbraw/zinc/91/23/45/390912345.db2.gz HZUTYVHOFZBHAF-UHFFFAOYSA-N 1 0 268.401 1.210 40 0 CDABRO O=C1C[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(F)cc1 ZINC000096157205 390913306 /nfs/dbraw/zinc/91/33/06/390913306.db2.gz RNFBKSRYAIOVSH-HNNXBMFYSA-N 1 0 276.311 1.454 40 0 CDABRO CN(Cc1ccccc1)C(=O)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC000096157280 390913312 /nfs/dbraw/zinc/91/33/12/390913312.db2.gz CKMBTPUYPXQIAM-OAHLLOKOSA-N 1 0 273.336 1.153 40 0 CDABRO O=C1CC2(CC[NH2+]CC2)C(=O)N1Cc1cccc(F)c1 ZINC000096157188 390913321 /nfs/dbraw/zinc/91/33/21/390913321.db2.gz KBLJCDKJRUBWJX-UHFFFAOYSA-N 1 0 276.311 1.454 40 0 CDABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(c1ncc(F)cn1)CC2 ZINC000096206927 390913591 /nfs/dbraw/zinc/91/35/91/390913591.db2.gz ZXUCPKUGVAUDEW-CYBMUJFWSA-N 1 0 294.374 1.553 40 0 CDABRO Cc1c(Cl)c(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)nn1C ZINC000335042612 150219568 /nfs/dbraw/zinc/21/95/68/150219568.db2.gz DINNVLZDBPGFMR-YUMQZZPRSA-N 1 0 270.764 1.204 40 0 CDABRO CC(C)[N@H+](C)CCOC(=O)c1ccc2c(c1)OCO2 ZINC000005018092 170056128 /nfs/dbraw/zinc/05/61/28/170056128.db2.gz ZAOQEDWEXGRJGR-UHFFFAOYSA-N 1 0 265.309 1.912 40 0 CDABRO C[NH2+]CCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12 ZINC000021981427 171344196 /nfs/dbraw/zinc/34/41/96/171344196.db2.gz QGGCHSMZXKNGCK-GFCCVEGCSA-N 1 0 273.336 1.581 40 0 in-vitro CDABRO CCOc1ccc(CNCC[NH2+]C[C@H](C)O)cc1OCC ZINC000022076046 171352037 /nfs/dbraw/zinc/35/20/37/171352037.db2.gz MJYWNAIJQLWQMX-ZDUSSCGKSA-N 1 0 296.411 1.544 40 0 CDABRO CNC(=O)[C@@]1(CCCc2cccnc2)CCC[NH2+]C1 ZINC000072344210 176372389 /nfs/dbraw/zinc/37/23/89/176372389.db2.gz MIPQMWRTGKURTM-HNNXBMFYSA-N 1 0 261.369 1.520 40 0 CDABRO CNC(=O)CCc1cc(C)nc(C2CC[NH2+]CC2)c1 ZINC000072344287 176372793 /nfs/dbraw/zinc/37/27/93/176372793.db2.gz UTSIGCCGYQALII-UHFFFAOYSA-N 1 0 261.369 1.536 40 0 CDABRO CCc1nccn1-c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000072355919 176375852 /nfs/dbraw/zinc/37/58/52/176375852.db2.gz XMPRFQRJFRSRIZ-NSHDSACASA-N 1 0 257.341 1.692 40 0 CDABRO Cc1nc(CCC(N)=O)cc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072366558 176381878 /nfs/dbraw/zinc/38/18/78/176381878.db2.gz IEDDUQVLUGAFLT-CQSZACIVSA-N 1 0 276.384 1.748 40 0 CDABRO O[C@H]1COCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000077266031 177247531 /nfs/dbraw/zinc/24/75/31/177247531.db2.gz VXSZDXJDPCJHER-LLVKDONJSA-N 1 0 291.269 1.778 40 0 biogenic,in-vitro CDABRO CC[NH+](CC)CC(=O)NC[C@@H](O)c1c(F)cccc1F ZINC000077634726 177289264 /nfs/dbraw/zinc/28/92/64/177289264.db2.gz ZPLYDLXNORQQSQ-GFCCVEGCSA-N 1 0 286.322 1.456 40 0 CDABRO C[N@H+](CCO)CCC(=O)Nc1ccc(Cl)cc1F ZINC000078406527 177338750 /nfs/dbraw/zinc/33/87/50/177338750.db2.gz SURDIXZIJZPZOE-UHFFFAOYSA-N 1 0 274.723 1.732 40 0 CDABRO COc1cc(NC[C@H]2CCCC[NH2+]2)nc(SC)n1 ZINC000079439976 177490827 /nfs/dbraw/zinc/49/08/27/177490827.db2.gz JQIZVGLYUPATFO-SECBINFHSA-N 1 0 268.386 1.761 40 0 CDABRO CCOc1cc(OC2CC[NH2+]CC2)nc(SC)n1 ZINC000079439900 177491034 /nfs/dbraw/zinc/49/10/34/177491034.db2.gz MLSZKAFBKVXOEI-UHFFFAOYSA-N 1 0 269.370 1.728 40 0 CDABRO COCC(=O)N1CCc2ccccc2C12CC[NH2+]CC2 ZINC000096157360 260563729 /nfs/dbraw/zinc/56/37/29/260563729.db2.gz SALKIPCHVKFEMM-UHFFFAOYSA-N 1 0 274.364 1.296 40 0 CDABRO O=C(c1ccco1)N1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC000096241221 265346062 /nfs/dbraw/zinc/34/60/62/265346062.db2.gz RXKHSWOZIHYSTD-YPMHNXCESA-N 1 0 252.289 1.443 40 0 CDABRO COc1ccccc1N1C(=N)NC(=[NH2+])N[C@@H]1c1ccccc1 ZINC000003075956 274158435 /nfs/dbraw/zinc/15/84/35/274158435.db2.gz GDRRQSFYFISYHS-AWEZNQCLSA-N 1 0 295.346 1.843 40 0 CDABRO CN1CC[NH+]([C@@H]2CCCc3ccccc3[C@H]2O)CC1 ZINC000019366346 277111027 /nfs/dbraw/zinc/11/10/27/277111027.db2.gz PKTNMCFYIQOHGV-HZPDHXFCSA-N 1 0 260.381 1.672 40 0 CDABRO COc1ccccc1OCC(=O)NCCC[NH+](C)C ZINC000013671298 326841319 /nfs/dbraw/zinc/84/13/19/326841319.db2.gz JGFRVOFILSJGGO-UHFFFAOYSA-N 1 0 266.341 1.142 40 0 CDABRO c1cc(CN2CC[NH2+][C@@H]3CCC[C@@H]32)cc2c1OCO2 ZINC000225715625 333182249 /nfs/dbraw/zinc/18/22/49/333182249.db2.gz FRIDUMUUNIPKER-OLZOCXBDSA-N 1 0 260.337 1.742 40 0 CDABRO CCCOC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000031666621 535235913 /nfs/dbraw/zinc/23/59/13/535235913.db2.gz FFIKEKOQJUSGDE-MRXNPFEDSA-N 1 0 278.396 1.596 40 0 CDABRO COCC(=O)N1CCC2(C[C@H](COC)[N@@H+](C(C)C)C2)CC1 ZINC000096051774 185074697 /nfs/dbraw/zinc/07/46/97/185074697.db2.gz XTLGTEJURXLCTO-CQSZACIVSA-N 1 0 298.427 1.371 40 0 CDABRO c1coc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c1 ZINC000096053981 185076335 /nfs/dbraw/zinc/07/63/35/185076335.db2.gz SGMISRRRSGHPNK-CHWSQXEVSA-N 1 0 270.336 1.638 40 0 CDABRO CCOc1ncnc2c1CC[N@H+](Cc1ccncc1)CC2 ZINC000096058763 185079586 /nfs/dbraw/zinc/07/95/86/185079586.db2.gz COFQDILYOSBUAN-UHFFFAOYSA-N 1 0 284.363 1.871 40 0 CDABRO Fc1cccnc1NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC000096078451 185089049 /nfs/dbraw/zinc/08/90/49/185089049.db2.gz CMUFNKVQSPIEAB-BXUZGUMPSA-N 1 0 281.331 1.028 40 0 CDABRO O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccncc2)N1CC1CC1 ZINC000096081287 185091514 /nfs/dbraw/zinc/09/15/14/185091514.db2.gz KOYGPXBKSNQJAG-GJZGRUSLSA-N 1 0 271.364 1.667 40 0 CDABRO CCC(=O)N1CC[C@H](OC)[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000096109500 185099571 /nfs/dbraw/zinc/09/95/71/185099571.db2.gz REMSGRMJYCWMBG-ZNMIVQPWSA-N 1 0 292.379 1.737 40 0 CDABRO O=C1[C@@H]2CC[NH2+]C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC000096107161 185100067 /nfs/dbraw/zinc/10/00/67/185100067.db2.gz BENHASLQQOMGBS-KGLIPLIRSA-N 1 0 278.327 1.163 40 0 CDABRO Cn1cnc2c1C[C@H](CO)[N@H+](CCc1ccccc1)C2 ZINC000585094858 342211427 /nfs/dbraw/zinc/21/14/27/342211427.db2.gz QRUWRPSOPXYZEQ-CQSZACIVSA-N 1 0 271.364 1.382 40 0 CDABRO C[N@@H+]1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1 ZINC000585102452 342212557 /nfs/dbraw/zinc/21/25/57/342212557.db2.gz PMKVGSUXPXJZSI-UHFFFAOYSA-N 1 0 284.375 1.449 40 0 CDABRO CCn1nccc1C[N@@H+]1C[C@H]2CCC[C@]2(C(=O)OC)C1 ZINC000221366461 342301952 /nfs/dbraw/zinc/30/19/52/342301952.db2.gz FQDGPIADCAUKGN-DOMZBBRYSA-N 1 0 277.368 1.678 40 0 CDABRO C[N@H+]1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000248146413 362153724 /nfs/dbraw/zinc/15/37/24/362153724.db2.gz RWSNTIHRLMNBIJ-ZDUSSCGKSA-N 1 0 290.392 1.290 40 0 CDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1C(=O)OCc1ccccc1 ZINC000230489051 345628882 /nfs/dbraw/zinc/62/88/82/345628882.db2.gz PFWDUAUMYWDGNJ-QWHCGFSZSA-N 1 0 277.320 1.081 40 0 CDABRO O=C(N[C@H]1CCO[C@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000306129112 201840241 /nfs/dbraw/zinc/84/02/41/201840241.db2.gz HUYPCFCWJAWGEJ-WCQYABFASA-N 1 0 266.366 1.389 40 0 CDABRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)[C@H](C)N1CCOCC1 ZINC000155706765 351400276 /nfs/dbraw/zinc/40/02/76/351400276.db2.gz JHZPFCCMHQWLCZ-KBPBESRZSA-N 1 0 298.427 1.371 40 0 CDABRO COc1cc(C(=O)NCC[NH+](C)C)n(-c2ccccc2)n1 ZINC000227167647 356279922 /nfs/dbraw/zinc/27/99/22/356279922.db2.gz OULWPTXLAGZZNP-UHFFFAOYSA-N 1 0 288.351 1.172 40 0 CDABRO Cc1nn(C)c(C)c1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063218458 363495032 /nfs/dbraw/zinc/49/50/32/363495032.db2.gz ZAFHHGRXJGCPKN-OAHLLOKOSA-N 1 0 273.380 1.730 40 0 CDABRO Cc1cc(N2CC[NH2+]CC2)nc(-c2cccnc2)n1 ZINC000045950691 356577086 /nfs/dbraw/zinc/57/70/86/356577086.db2.gz NXKDDUCAEKIESH-UHFFFAOYSA-N 1 0 255.325 1.257 40 0 CDABRO COCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030551574 356749542 /nfs/dbraw/zinc/74/95/42/356749542.db2.gz LNZIHUWBCUUYSW-UHFFFAOYSA-N 1 0 276.380 1.935 40 0 CDABRO O=C1[N-]C(=O)C2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1 ZINC000031672092 356768686 /nfs/dbraw/zinc/76/86/86/356768686.db2.gz MMCFCBDHHTUROH-UHFFFAOYSA-N 1 0 287.319 1.475 40 0 CDABRO CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391254 356987874 /nfs/dbraw/zinc/98/78/74/356987874.db2.gz QNWJMVNHRLAWEA-NWDGAFQWSA-N 1 0 299.415 1.582 40 0 CDABRO CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C[NH3+] ZINC000079390873 356988557 /nfs/dbraw/zinc/98/85/57/356988557.db2.gz JTLOYEXXSRNINJ-UHFFFAOYSA-N 1 0 299.415 1.441 40 0 CDABRO CN(C[C@@H]1CCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408354 356992071 /nfs/dbraw/zinc/99/20/71/356992071.db2.gz GSVBHMSPESVQRN-NSHDSACASA-N 1 0 257.378 1.134 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000079409961 356992583 /nfs/dbraw/zinc/99/25/83/356992583.db2.gz HLTWTBKSJBHYQY-MNOVXSKESA-N 1 0 285.388 1.095 40 0 CDABRO CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000079409701 356992681 /nfs/dbraw/zinc/99/26/81/356992681.db2.gz OPWPEODCDXRCOL-NSHDSACASA-N 1 0 299.415 1.582 40 0 CDABRO CN(C(=O)OCc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079411436 356993591 /nfs/dbraw/zinc/99/35/91/356993591.db2.gz KYJYOIBTWSXWLZ-CQSZACIVSA-N 1 0 277.368 1.288 40 0 CDABRO CC(=O)N(C(C)C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079418073 356995415 /nfs/dbraw/zinc/99/54/15/356995415.db2.gz BLVZRGWIGXNXEM-ZNMIVQPWSA-N 1 0 297.443 1.654 40 0 CDABRO C[C@@H](C[NH2+]CCCn1ccnc1)C(=O)OC(C)(C)C ZINC000047219104 357153879 /nfs/dbraw/zinc/15/38/79/357153879.db2.gz QAJNJEGLSZLGFZ-LBPRGKRZSA-N 1 0 267.373 1.841 40 0 CDABRO CC(C)(C)OC(=O)NCC1C[C@@H]2C[NH2+]C[C@H](C1)C2O ZINC000068575798 357650397 /nfs/dbraw/zinc/65/03/97/357650397.db2.gz UTSWUEAAFXLCGZ-WSVSKBAQSA-N 1 0 270.373 1.118 40 0 CDABRO CCOc1cc(CN2CC[NH2+]CC2)ccc1OC ZINC000020084405 358324215 /nfs/dbraw/zinc/32/42/15/358324215.db2.gz ZQTLXWVUJJJXPZ-UHFFFAOYSA-N 1 0 250.342 1.499 40 0 CDABRO CCOC[C@@H]1C[N@H+](CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060094 358707360 /nfs/dbraw/zinc/70/73/60/358707360.db2.gz WLQDSCJRDKSCRH-HNNXBMFYSA-N 1 0 293.411 1.782 40 0 CDABRO Cc1occc1C(=O)N1CCC2(C[C@H]([NH+](C)C)CO2)CC1 ZINC000096158621 358710293 /nfs/dbraw/zinc/71/02/93/358710293.db2.gz VGXKPOQGLRVFEU-ZDUSSCGKSA-N 1 0 292.379 1.913 40 0 CDABRO Cn1cccc1C(=O)N1CCC2(C[C@H]([NH+](C)C)CO2)CC1 ZINC000096158623 358710298 /nfs/dbraw/zinc/71/02/98/358710298.db2.gz URIHDYBSTVEQRF-ZDUSSCGKSA-N 1 0 291.395 1.350 40 0 CDABRO CN1Cc2cccc(I)c2[C@H](O)C1 ZINC000096171901 358713344 /nfs/dbraw/zinc/71/33/44/358713344.db2.gz BXMJYXBROALGEP-SECBINFHSA-N 1 0 289.116 1.770 40 0 CDABRO Cn1cc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)cn1 ZINC000096183272 358713365 /nfs/dbraw/zinc/71/33/65/358713365.db2.gz NCAMOZYNKFWSLB-JKSUJKDBSA-N 1 0 290.411 1.105 40 0 CDABRO COc1ncccc1CN1C[C@@H]2COC[C@@H]([NH+](C)C)[C@@H]2C1 ZINC000096186814 358715408 /nfs/dbraw/zinc/71/54/08/358715408.db2.gz JACAXMPXWSZBJH-RBSFLKMASA-N 1 0 291.395 1.099 40 0 CDABRO O[C@@H]1CC[N@H+](C[C@@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200038 358717524 /nfs/dbraw/zinc/71/75/24/358717524.db2.gz LZKVVOHGYNJTET-HRCADAONSA-N 1 0 261.365 1.701 40 0 CDABRO c1ncn2c1C[NH2+]C[C@H](COCC1CCOCC1)C2 ZINC000096209714 358721032 /nfs/dbraw/zinc/72/10/32/358721032.db2.gz NGCQQWOTCSQLSU-ZDUSSCGKSA-N 1 0 265.357 1.046 40 0 CDABRO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3O2)n1 ZINC000096219963 358722369 /nfs/dbraw/zinc/72/23/69/358722369.db2.gz WZHZCOOHEKJFFC-IACUBPJLSA-N 1 0 293.367 1.189 40 0 CDABRO CC(=O)N1CCC[C@@]2(CC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000096268725 358730311 /nfs/dbraw/zinc/73/03/11/358730311.db2.gz OBSBYWZZUYLNOL-GJZGRUSLSA-N 1 0 266.385 1.357 40 0 CDABRO Nc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3c3ccccc32)cn1 ZINC000096268377 358730556 /nfs/dbraw/zinc/73/05/56/358730556.db2.gz QPKITQATJSFXPK-TZMCWYRMSA-N 1 0 294.358 1.627 40 0 CDABRO C[C@@H]([NH3+])c1nnc2ccc(-c3ccc(F)cc3)nn21 ZINC000058021800 366459301 /nfs/dbraw/zinc/45/93/01/366459301.db2.gz GLSXSZSLXDXDIP-MRVPVSSYSA-N 1 0 257.272 1.950 40 0 CDABRO C[C@@]1(CO)CCC[C@H]1NCC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000104245187 358953732 /nfs/dbraw/zinc/95/37/32/358953732.db2.gz LBNBPYQPTNKLFN-SYMSYNOKSA-N 1 0 284.444 1.268 40 0 CDABRO C[C@@H]([NH3+])C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000072220517 359053574 /nfs/dbraw/zinc/05/35/74/359053574.db2.gz DMXPQPZHTLIOOS-SSDOTTSWSA-N 1 0 280.715 1.353 40 0 CDABRO [NH3+]C[C@H]1CCN(c2ccc(C(F)(F)F)cc2)S1(=O)=O ZINC000222545804 359354156 /nfs/dbraw/zinc/35/41/56/359354156.db2.gz XFYIMVXHZLTJJU-SNVBAGLBSA-N 1 0 294.298 1.573 40 0 CDABRO S=C(NC1CC1)N1CC[NH+](C2CCSCC2)CC1 ZINC000225217094 359561557 /nfs/dbraw/zinc/56/15/57/359561557.db2.gz VMPUKIUJVXHUPT-UHFFFAOYSA-N 1 0 285.482 1.537 40 0 CDABRO COc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000000787170 364238271 /nfs/dbraw/zinc/23/82/71/364238271.db2.gz PKQZBVYYMAZUNJ-CYBMUJFWSA-N 1 0 265.353 1.921 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000079409221 284193971 /nfs/dbraw/zinc/19/39/71/284193971.db2.gz PLLZKTLSVDYYFT-NEPJUHHUSA-N 1 0 299.415 1.630 40 0 CDABRO CS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@H]1C[NH3+] ZINC000218510795 372937894 /nfs/dbraw/zinc/93/78/94/372937894.db2.gz GZGSBWKRRLBILB-OUAUKWLOSA-N 1 0 259.758 1.425 40 0 CDABRO O[C@@H](COc1ccc(Cl)cc1)CN1CCC[NH2+]CC1 ZINC000064875919 374241338 /nfs/dbraw/zinc/24/13/38/374241338.db2.gz MEIHIMTXWAKCST-CYBMUJFWSA-N 1 0 284.787 1.375 40 0 CDABRO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCOCC1 ZINC000019861910 374814872 /nfs/dbraw/zinc/81/48/72/374814872.db2.gz DIQWWAXKNBUECM-LBPRGKRZSA-N 1 0 285.185 1.781 40 0 CDABRO CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000095093751 374868996 /nfs/dbraw/zinc/86/89/96/374868996.db2.gz IHBQAHGUSUKNNA-PHIMTYICSA-N 1 0 268.357 1.374 40 0 CDABRO Cc1ccc(OCC[C@H](O)C[NH+]2CCN(C)CC2)cc1C ZINC000028295308 375239243 /nfs/dbraw/zinc/23/92/43/375239243.db2.gz WBYVTDDNZJEJPW-INIZCTEOSA-N 1 0 292.423 1.681 40 0 CDABRO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cnn(C)c2)C1 ZINC000230163966 375528564 /nfs/dbraw/zinc/52/85/64/375528564.db2.gz YEXXIVAENYCGHI-MBNYWOFBSA-N 1 0 250.390 1.799 40 0 CDABRO Cc1ccc(-c2ccc3nnc(CC[NH3+])n3n2)cc1C ZINC000058021771 375638169 /nfs/dbraw/zinc/63/81/69/375638169.db2.gz IPBARCMQMIEAQE-UHFFFAOYSA-N 1 0 267.336 1.909 40 0 CDABRO Cn1cncc1-c1nccnc1CC1CC[NH2+]CC1 ZINC000257229751 190016254 /nfs/dbraw/zinc/01/62/54/190016254.db2.gz FZISPYRFEKDVLL-UHFFFAOYSA-N 1 0 257.341 1.419 40 0 CDABRO Cc1nc(C(=O)NCC2CC2)cc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257246088 190019132 /nfs/dbraw/zinc/01/91/32/190019132.db2.gz ISKUTDXWYTYUBK-ZDUSSCGKSA-N 1 0 288.395 1.734 40 0 CDABRO COC[C@]1([NH3+])C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218004838 375776062 /nfs/dbraw/zinc/77/60/62/375776062.db2.gz XMBNVDRJNGNVCA-GHMZBOCLSA-N 1 0 275.757 1.230 40 0 CDABRO OC1(C[NH+]2CCC(Cc3ccncc3)CC2)CCOCC1 ZINC000257261056 190022443 /nfs/dbraw/zinc/02/24/43/190022443.db2.gz LFNRLEQJNUUWBI-UHFFFAOYSA-N 1 0 290.407 1.878 40 0 CDABRO CO[C@H]1CCCOC12CC[NH+](Cc1[nH]cnc1C)CC2 ZINC000257274357 190024982 /nfs/dbraw/zinc/02/49/82/190024982.db2.gz NKRBGCVMEJXAKW-AWEZNQCLSA-N 1 0 279.384 1.878 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)C[C@H]1O ZINC000257308837 190031413 /nfs/dbraw/zinc/03/14/13/190031413.db2.gz TYHXWIXPJIFXIW-ZIAGYGMSSA-N 1 0 294.370 1.237 40 0 CDABRO CO[C@H]1C[N@H+](Cc2ccnc(C)n2)CC[C@@]12CCCO2 ZINC000257307637 190031565 /nfs/dbraw/zinc/03/15/65/190031565.db2.gz SZPQGJULJJVLQK-GJZGRUSLSA-N 1 0 277.368 1.555 40 0 CDABRO Cn1cc(-c2cncc(C[C@@H]3CC[N@H+](C)C3)n2)cn1 ZINC000257319939 190033164 /nfs/dbraw/zinc/03/31/64/190033164.db2.gz VURDBTJLCGRPNK-NSHDSACASA-N 1 0 257.341 1.371 40 0 CDABRO COC(=O)[C@@H](N)Cc1c[nH]c2c1cccc2Cl ZINC000032303350 375933623 /nfs/dbraw/zinc/93/36/23/375933623.db2.gz WCSCFRDQHOTFSS-JTQLQIEISA-N 1 0 252.701 1.864 40 0 CDABRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1CCC(F)(F)C1 ZINC000331307051 376910510 /nfs/dbraw/zinc/91/05/10/376910510.db2.gz GGYBGZJRKJKPAE-RYUDHWBXSA-N 1 0 290.354 1.385 40 0 CDABRO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000063527723 378303558 /nfs/dbraw/zinc/30/35/58/378303558.db2.gz BHJJIGZTJIVBMD-GFCCVEGCSA-N 1 0 252.358 1.110 40 0 CDABRO COc1ccc([C@@H](CNC(C)=O)[NH+]2CCCC2)cc1 ZINC000046868341 378820526 /nfs/dbraw/zinc/82/05/26/378820526.db2.gz HFKGRTAPKUVQLB-OAHLLOKOSA-N 1 0 262.353 1.968 40 0 CDABRO COC[C@H]1C(=O)NCC12CC[NH+](Cc1cccs1)CC2 ZINC000096206088 256822251 /nfs/dbraw/zinc/82/22/51/256822251.db2.gz QAXDAEYILUDVOG-ZDUSSCGKSA-N 1 0 294.420 1.723 40 0 CDABRO CC(=O)N1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216196 390620559 /nfs/dbraw/zinc/62/05/59/390620559.db2.gz VCIQHGBNAIGLRK-OAHLLOKOSA-N 1 0 289.379 1.992 40 0 CDABRO Cc1cnc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000257329168 390815582 /nfs/dbraw/zinc/81/55/82/390815582.db2.gz XITWOGMTRUXLEN-OAHLLOKOSA-N 1 0 282.347 1.572 40 0 CDABRO [NH3+]C[C@@H](c1ccccc1Br)N1CCOCC1 ZINC000019510658 391478743 /nfs/dbraw/zinc/47/87/43/391478743.db2.gz QWXBRRAQWJPYBQ-LBPRGKRZSA-N 1 0 285.185 1.781 40 0 CDABRO CCCC(=O)N1CC2(C1)C[C@H](COC)CC[N@@H+]2C ZINC000306144359 392105403 /nfs/dbraw/zinc/10/54/03/392105403.db2.gz ZDIZNCZAHFFXRN-GFCCVEGCSA-N 1 0 254.374 1.356 40 0 CDABRO NC(=O)[C@@H](O[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000217520231 413112850 /nfs/dbraw/zinc/11/28/50/413112850.db2.gz MLAQZLDTZUHNKE-NEPJUHHUSA-N 1 0 252.289 1.121 40 0 CDABRO CC(C)(C)[NH2+]C[C@@H](O)COC[C@H]1COc2ccccc2O1 ZINC000003623551 169904013 /nfs/dbraw/zinc/90/40/13/169904013.db2.gz ZJWWWCZRROHPDH-OLZOCXBDSA-N 1 0 295.379 1.592 40 0 in-man CDABRO CC(C)N(C(=O)[C@@H](C)[NH2+]C[C@H]1CCCO1)C(C)C ZINC000004969159 170046872 /nfs/dbraw/zinc/04/68/72/170046872.db2.gz NCETZSSCAXGGDG-CHWSQXEVSA-N 1 0 256.390 1.789 40 0 CDABRO CCOc1ccccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000005251435 170079971 /nfs/dbraw/zinc/07/99/71/170079971.db2.gz OYWRPNRECICCTO-UHFFFAOYSA-N 1 0 293.367 1.092 40 0 CDABRO C[N@@H+]1CCC[C@H](CNC(=S)NC2CCCC2)C1 ZINC000009876471 170388435 /nfs/dbraw/zinc/38/84/35/170388435.db2.gz SJWWIKHTOLVSNK-LLVKDONJSA-N 1 0 255.431 1.735 40 0 CDABRO COc1ccc(S[C@H](C)C(=O)NCC[NH+](C)C)cc1 ZINC000020462051 171209758 /nfs/dbraw/zinc/20/97/58/171209758.db2.gz IBGYECPSCBFANS-LLVKDONJSA-N 1 0 282.409 1.854 40 0 CDABRO COc1cccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000022161716 171364133 /nfs/dbraw/zinc/36/41/33/171364133.db2.gz SUUAHXZFOMJMML-SCRDCRAPSA-N 1 0 294.395 1.813 40 0 CDABRO COc1ccc(CN2CC[C@]3(CCC[NH2+]C3)C2=O)cc1 ZINC000035571413 172267649 /nfs/dbraw/zinc/26/76/49/172267649.db2.gz RUOCCEAZJSBPJA-INIZCTEOSA-N 1 0 274.364 1.797 40 0 CDABRO COc1ccc(NC(=O)C2CC[NH2+]CC2)cc1F ZINC000037290849 173096310 /nfs/dbraw/zinc/09/63/10/173096310.db2.gz SYMVQDGCPXSBGG-UHFFFAOYSA-N 1 0 252.289 1.772 40 0 CDABRO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1 ZINC000037540657 173262359 /nfs/dbraw/zinc/26/23/59/173262359.db2.gz FBNLUHMLHBJALB-NSHDSACASA-N 1 0 272.345 1.198 40 0 CDABRO C[NH2+][C@@H](CO)c1cc(Br)ccc1OC ZINC000038121345 174128665 /nfs/dbraw/zinc/12/86/65/174128665.db2.gz IVSLNIKPZVERDT-VIFPVBQESA-N 1 0 260.131 1.711 40 0 CDABRO C[NH+](C)[C@@H](CNc1ccc2nnnn2n1)c1cccs1 ZINC000057369467 175595834 /nfs/dbraw/zinc/59/58/34/175595834.db2.gz WCDIDERPZSIQCB-VIFPVBQESA-N 1 0 289.368 1.296 40 0 CDABRO Cc1cc(NC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000058772955 175628498 /nfs/dbraw/zinc/62/84/98/175628498.db2.gz XDZOOFOSTLDGGB-UHFFFAOYSA-N 1 0 252.318 1.541 40 0 CDABRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccc(OC)cc2)C1 ZINC000071143492 176040914 /nfs/dbraw/zinc/04/09/14/176040914.db2.gz PITICZUTPUZZGQ-ZDUSSCGKSA-N 1 0 262.353 1.306 40 0 CDABRO COCC[N@@H+]1CCC[C@@H]1c1cc(CCC(N)=O)cc(C)n1 ZINC000072360459 176376746 /nfs/dbraw/zinc/37/67/46/176376746.db2.gz VHRBTPDXZXHSMB-OAHLLOKOSA-N 1 0 291.395 1.591 40 0 CDABRO Cc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)NC3)cc1 ZINC000072373432 176384681 /nfs/dbraw/zinc/38/46/81/176384681.db2.gz ICJJBVIBSHZMQM-UONOGXRCSA-N 1 0 287.363 1.286 40 0 CDABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1CO ZINC000072397542 176395273 /nfs/dbraw/zinc/39/52/73/176395273.db2.gz JQFVYZLHYDTKKA-CZUORRHYSA-N 1 0 290.407 1.856 40 0 CDABRO CCN(Cc1ccc(Br)cc1)C(=O)C[NH3+] ZINC000076710925 177067808 /nfs/dbraw/zinc/06/78/08/177067808.db2.gz BSDVSPOELPDSOQ-UHFFFAOYSA-N 1 0 271.158 1.756 40 0 CDABRO CCN(C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C)C(C)=O ZINC000079417958 177485656 /nfs/dbraw/zinc/48/56/56/177485656.db2.gz VAAAUYRMXXMZQQ-KBPBESRZSA-N 1 0 283.416 1.219 40 0 CDABRO O=C(Nc1cccnc1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096260929 265349212 /nfs/dbraw/zinc/34/92/12/265349212.db2.gz DVJBOBDOODZCPJ-LBPRGKRZSA-N 1 0 261.325 1.321 40 0 CDABRO O=C1N(Cc2cccnc2)C[C@H]2C[N@@H+](C3CCC3)CCN12 ZINC000077266570 275021430 /nfs/dbraw/zinc/02/14/30/275021430.db2.gz WWIWYKCRTNSVKA-OAHLLOKOSA-N 1 0 286.379 1.556 40 0 biogenic,in-vitro CDABRO C[NH2+]C[C@@]1(O)CCCN(c2cc(C)nc3ccncc32)C1 ZINC000257237980 277280821 /nfs/dbraw/zinc/28/08/21/277280821.db2.gz HJBUISPXXMAMIO-INIZCTEOSA-N 1 0 286.379 1.489 40 0 CDABRO C[C@H]1Cc2ccccc2N1C(=O)CNCCC[NH+](C)C ZINC000004969378 280030739 /nfs/dbraw/zinc/03/07/39/280030739.db2.gz CNJSCQHPARLYQJ-ZDUSSCGKSA-N 1 0 275.396 1.506 40 0 CDABRO CCC[C@H](C(=O)Nc1n[nH]cc1Br)[NH+](C)C ZINC000293981761 280583536 /nfs/dbraw/zinc/58/35/36/280583536.db2.gz RHZCLWCTJSFWDM-MRVPVSSYSA-N 1 0 289.177 1.841 40 0 CDABRO Nc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3c3ccccc32)cn1 ZINC000096268380 303495451 /nfs/dbraw/zinc/49/54/51/303495451.db2.gz QPKITQATJSFXPK-JSGCOSHPSA-N 1 0 294.358 1.627 40 0 CDABRO c1cc(C[NH2+]Cc2cnc(N3CCCC3)nc2)ccn1 ZINC000062717819 333176110 /nfs/dbraw/zinc/17/61/10/333176110.db2.gz KMPXQJCEMRRPHS-UHFFFAOYSA-N 1 0 269.352 1.762 40 0 CDABRO CCCC[N@H+](C)C[C@@H]1[C@H](CC)CN(C(=O)C2CC2)[C@@H]1CO ZINC001772594982 1159307814 /nfs/dbraw/zinc/30/78/14/1159307814.db2.gz MQNZPVPBTUWGCF-FVQBIDKESA-N 1 0 296.455 1.974 40 0 CDABRO CCN1C(=O)N(Cc2ccc3c[nH+]cn3c2)C(=O)C1(C)C ZINC000924925553 797848549 /nfs/dbraw/zinc/84/85/49/797848549.db2.gz HKJMCJZYJHXFMS-UHFFFAOYSA-N 1 0 286.335 1.897 40 0 CDABRO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC000382701624 943941587 /nfs/dbraw/zinc/94/15/87/943941587.db2.gz OTGDNZWKSLJDNY-QDMKHBRRSA-N 1 0 275.348 1.839 40 0 CDABRO CC[C@@H]1[N@H+](Cc2cnn(C)c2)CCC[C@]12CCC(=O)N2 ZINC000096038491 185068924 /nfs/dbraw/zinc/06/89/24/185068924.db2.gz LJMRODXNDDYOTJ-ZFWWWQNUSA-N 1 0 276.384 1.443 40 0 CDABRO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@@H+]3CC2CC2)n1 ZINC000096054045 185076614 /nfs/dbraw/zinc/07/66/14/185076614.db2.gz CZWLVAICGIJEEN-HOTGVXAUSA-N 1 0 285.391 1.975 40 0 CDABRO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2 ZINC000096058512 185078625 /nfs/dbraw/zinc/07/86/25/185078625.db2.gz AYVUXURVSBMLCQ-STQMWFEESA-N 1 0 260.337 1.836 40 0 CDABRO Cc1noc([C@H]2C[C@@H]3CC[N@H+](CC4CC4)C[C@H]3O2)n1 ZINC000096058209 185079415 /nfs/dbraw/zinc/07/94/15/185079415.db2.gz VZLLSYPDDMZIQW-YNEHKIRRSA-N 1 0 263.341 1.940 40 0 CDABRO CSCC[C@H](C)[N@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000072666056 361820498 /nfs/dbraw/zinc/82/04/98/361820498.db2.gz AIGZIGFVSBFLBY-YNEHKIRRSA-N 1 0 288.457 1.696 40 0 CDABRO c1nncn1[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccnc1)C2 ZINC000096073844 185088172 /nfs/dbraw/zinc/08/81/72/185088172.db2.gz OIPNZFOHLDQELK-HOTGVXAUSA-N 1 0 299.378 1.669 40 0 CDABRO Cc1nc(CN2CC[C@@]3(CCC[NH2+]C3)C2=O)cs1 ZINC000096088761 185093588 /nfs/dbraw/zinc/09/35/88/185093588.db2.gz YZZMMNVUBQDOCU-CYBMUJFWSA-N 1 0 265.382 1.554 40 0 CDABRO Cc1csc(CN2C[C@@H]3C[N@H+](C)CCO[C@@H]3C2)n1 ZINC000096107938 185099517 /nfs/dbraw/zinc/09/95/17/185099517.db2.gz QAOPLPAICRUOTA-NWDGAFQWSA-N 1 0 267.398 1.214 40 0 CDABRO Cc1ccccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000000422479 361917290 /nfs/dbraw/zinc/91/72/90/361917290.db2.gz CAZWVDFPMSTGTH-UHFFFAOYSA-N 1 0 289.364 1.680 40 0 CDABRO CNC(=O)[C@@]1(C)CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000585263089 342250697 /nfs/dbraw/zinc/25/06/97/342250697.db2.gz JOHICPVQVQRHTC-AWEZNQCLSA-N 1 0 268.401 1.530 40 0 CDABRO CO[C@H]1CCC[N@H+](CC2CCOCC2)[C@H]1CCC(N)=O ZINC000585277798 342256292 /nfs/dbraw/zinc/25/62/92/342256292.db2.gz YAYCJHOSGNDVIO-KBPBESRZSA-N 1 0 284.400 1.158 40 0 CDABRO c1cc2n(n1)C[C@@H](C[NH+]1CCCC1)CN(CC1CC1)C2 ZINC000253604087 362441107 /nfs/dbraw/zinc/44/11/07/362441107.db2.gz SWZIHYYWPLGKQV-HNNXBMFYSA-N 1 0 274.412 1.821 40 0 CDABRO O=C(NC1CCCC1)[C@@H]1CCO[C@@H]2CC[NH2+]C[C@H]21 ZINC000306131425 201841034 /nfs/dbraw/zinc/84/10/34/201841034.db2.gz KEAOQVBFMJFQCJ-FRRDWIJNSA-N 1 0 252.358 1.060 40 0 CDABRO Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)N(C)C)n1 ZINC000107253834 186164902 /nfs/dbraw/zinc/16/49/02/186164902.db2.gz OIXPDWCZPFCLLC-WDNDVIMCSA-N 1 0 274.368 1.091 40 0 CDABRO COc1cc(-c2noc([C@H]3CC[N@H+](C)[C@@H](C)C3)n2)ncn1 ZINC000333754475 363133712 /nfs/dbraw/zinc/13/37/12/363133712.db2.gz ANXFRGQQLZYBNF-UWVGGRQHSA-N 1 0 289.339 1.733 40 0 CDABRO COCC[NH2+]CCNC(=O)c1csc2ccccc12 ZINC000152329654 188010029 /nfs/dbraw/zinc/01/00/29/188010029.db2.gz VWRBKZGNHUXCHK-UHFFFAOYSA-N 1 0 278.377 1.867 40 0 CDABRO C[C@@H]([NH3+])C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000158161915 188360839 /nfs/dbraw/zinc/36/08/39/188360839.db2.gz DKNDZVLRTNWHBR-LLVKDONJSA-N 1 0 280.343 1.681 40 0 CDABRO CC[NH+](CC)CCOC[C@@H](O)COc1ccccc1OC ZINC000002019915 355957990 /nfs/dbraw/zinc/95/79/90/355957990.db2.gz DHCZIHSQOICDAY-CQSZACIVSA-N 1 0 297.395 1.793 40 0 in-man CDABRO C[C@H]1C[NH+](C[C@H](O)COC2CCCCC2)C[C@H](C)O1 ZINC000035088694 355958073 /nfs/dbraw/zinc/95/80/73/355958073.db2.gz WRNHQEHAJUBKFK-IHRRRGAJSA-N 1 0 271.401 1.806 40 0 CDABRO O=c1c2cccnc2ncn1CCC[NH+]1CCCCC1 ZINC000004375917 356029341 /nfs/dbraw/zinc/02/93/41/356029341.db2.gz RDVMYEQQVGPRCL-UHFFFAOYSA-N 1 0 272.352 1.668 40 0 CDABRO Cn1cc(-c2cc(C(F)(F)F)nn2CCC[NH3+])cn1 ZINC000012395530 356297003 /nfs/dbraw/zinc/29/70/03/356297003.db2.gz GHZYNBJVMRLSAM-UHFFFAOYSA-N 1 0 273.262 1.651 40 0 CDABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21)C1CC1 ZINC000019346718 356481041 /nfs/dbraw/zinc/48/10/41/356481041.db2.gz CBBVOWNKIILHEA-LBPRGKRZSA-N 1 0 299.378 1.034 40 0 CDABRO CCN(CC[NH3+])[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391771 356988113 /nfs/dbraw/zinc/98/81/13/356988113.db2.gz QWMOZIRGKNUUDS-OAHLLOKOSA-N 1 0 291.395 1.678 40 0 CDABRO O=C([O-])C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393344 356989440 /nfs/dbraw/zinc/98/94/40/356989440.db2.gz YAKYJJYQSOEHHA-UHFFFAOYSA-N 1 0 262.353 1.573 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@H]1CCN(C(=O)C[NH3+])C1)C1CC1 ZINC000079409365 356992505 /nfs/dbraw/zinc/99/25/05/356992505.db2.gz BOBYVWJKUIZGBX-NSHDSACASA-N 1 0 297.399 1.193 40 0 CDABRO CN(C[C@@H]1CC[N@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079410944 356993842 /nfs/dbraw/zinc/99/38/42/356993842.db2.gz IJYRZGMTUFEJPH-HNNXBMFYSA-N 1 0 292.379 1.569 40 0 CDABRO C[C@H]1CN(CC[NH3+])CCN1C(=O)OCc1ccccc1 ZINC000079419883 356996202 /nfs/dbraw/zinc/99/62/02/356996202.db2.gz RDXYDJXLILNMNK-ZDUSSCGKSA-N 1 0 277.368 1.288 40 0 CDABRO C[C@H]1CN(C(=O)OCc2ccccc2)CCN1CC[NH3+] ZINC000079419889 356996333 /nfs/dbraw/zinc/99/63/33/356996333.db2.gz OBZIIZJGPSDKPH-ZDUSSCGKSA-N 1 0 277.368 1.288 40 0 CDABRO CCN(CC)CC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219085 357154299 /nfs/dbraw/zinc/15/42/99/357154299.db2.gz KZZBBSLEFOWKNR-LBPRGKRZSA-N 1 0 258.406 1.896 40 0 CDABRO CC(C)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000055031984 357326914 /nfs/dbraw/zinc/32/69/14/357326914.db2.gz CNNXTXBAWYAONE-UHFFFAOYSA-N 1 0 293.440 1.528 40 0 CDABRO CN1c2ncccc2C[N@H+](C2CCOCC2)CC[C@H]1CO ZINC000225493078 283267433 /nfs/dbraw/zinc/26/74/33/283267433.db2.gz JBINPTLURABKEK-HNNXBMFYSA-N 1 0 291.395 1.263 40 0 biogenic,in-vitro CDABRO O=C(OCc1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000079062065 358058623 /nfs/dbraw/zinc/05/86/23/358058623.db2.gz KOEFZENUDUQWEF-HNNXBMFYSA-N 1 0 289.379 1.303 40 0 CDABRO C[N@@H+]1C[C@H](CO)CC12CN(C(=O)C1=CCCCC1)C2 ZINC000585093828 358098670 /nfs/dbraw/zinc/09/86/70/358098670.db2.gz ICZOCYKNRLBKRF-GFCCVEGCSA-N 1 0 264.369 1.012 40 0 CDABRO COC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000082334529 358160462 /nfs/dbraw/zinc/16/04/62/358160462.db2.gz ZXEXAKWRDSSWMC-LBPRGKRZSA-N 1 0 276.336 1.754 40 0 CDABRO [NH3+]CCc1nc(-c2cccc(OC(F)F)c2)no1 ZINC000089262340 358400842 /nfs/dbraw/zinc/40/08/42/358400842.db2.gz MITUDMLKFFTCQK-UHFFFAOYSA-N 1 0 255.224 1.839 40 0 CDABRO CC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC000096066352 358707400 /nfs/dbraw/zinc/70/74/00/358707400.db2.gz ZCRWJJIPZQJEMP-HZSPNIEDSA-N 1 0 282.384 1.287 40 0 CDABRO O=C(Cc1ccccn1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184406 358713814 /nfs/dbraw/zinc/71/38/14/358713814.db2.gz CUWJHXFRWSZULP-JKSUJKDBSA-N 1 0 285.391 1.709 40 0 CDABRO COC[C@@H]1C(=O)NCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096207625 358720416 /nfs/dbraw/zinc/72/04/16/358720416.db2.gz HGEHFHMKKHNKNB-CYBMUJFWSA-N 1 0 278.352 1.254 40 0 CDABRO Cn1cc(N2C[C@]3(CC[N@H+](CC4CC4)C3)CC2=O)cn1 ZINC000096239324 358724980 /nfs/dbraw/zinc/72/49/80/358724980.db2.gz WEOYGRXWWHIMBE-OAHLLOKOSA-N 1 0 274.368 1.259 40 0 CDABRO O=C1[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2CN1c1cccnc1 ZINC000096245177 358725820 /nfs/dbraw/zinc/72/58/20/358725820.db2.gz SUNQNMDELBBPLS-HOCLYGCPSA-N 1 0 294.358 1.571 40 0 CDABRO Cn1cc(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)cn1 ZINC000106802227 359009166 /nfs/dbraw/zinc/00/91/66/359009166.db2.gz JWMWRNFNLGFFQZ-UHFFFAOYSA-N 1 0 296.374 1.906 40 0 CDABRO CC(C)NC(=O)c1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000225486841 359594075 /nfs/dbraw/zinc/59/40/75/359594075.db2.gz ZYZAOLPGMGAVPY-UHFFFAOYSA-N 1 0 276.384 1.159 40 0 CDABRO O=C(OCc1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000026898277 359758647 /nfs/dbraw/zinc/75/86/47/359758647.db2.gz KVGMDJOGKDHEEB-HNNXBMFYSA-N 1 0 289.379 1.303 40 0 CDABRO Cn1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000293537294 370677872 /nfs/dbraw/zinc/67/78/72/370677872.db2.gz CJNNHRQUGWEFTQ-KRWDZBQOSA-N 1 0 297.402 1.958 40 0 CDABRO O=C(CC[NH+]1CCCCC1)N1CCOC[C@H]1c1cc[nH]n1 ZINC000257243617 283779299 /nfs/dbraw/zinc/77/92/99/283779299.db2.gz IHUOXVWVLKGDRR-AWEZNQCLSA-N 1 0 292.383 1.186 40 0 CDABRO C1=C[C@H]2[C@H]([NH2+]CCc3nnc4ccccn43)C[C@@H]2C1 ZINC000216028128 189700407 /nfs/dbraw/zinc/70/04/07/189700407.db2.gz GXMVTAFHYUDMKT-YNEHKIRRSA-N 1 0 254.337 1.826 40 0 CDABRO CC(C)(C)OC(=O)NCCCC[C@H]1C[NH2+]CC2(COC2)N1 ZINC000306145689 374971998 /nfs/dbraw/zinc/97/19/98/374971998.db2.gz NRJCKOSLAYZQDM-LBPRGKRZSA-N 1 0 299.415 1.012 40 0 CDABRO Cc1cc(C)c(C(=O)N2CCC(OCCC[NH3+])CC2)o1 ZINC000162170749 375287239 /nfs/dbraw/zinc/28/72/39/375287239.db2.gz BVTXJJVSTUPCBO-UHFFFAOYSA-N 1 0 280.368 1.866 40 0 CDABRO Cc1nc([C@H]2CCC[NH2+]C2)ncc1C(=O)N1CCCC1 ZINC000257197988 190010256 /nfs/dbraw/zinc/01/02/56/190010256.db2.gz PERSLDOWAWAITM-LBPRGKRZSA-N 1 0 274.368 1.488 40 0 CDABRO Cc1cnn(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@H+]3C)c1 ZINC000257202729 190010877 /nfs/dbraw/zinc/01/08/77/190010877.db2.gz ANBYUKOCTFKRSJ-HOCLYGCPSA-N 1 0 290.411 1.667 40 0 CDABRO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2ccncc2)CC[C@@H]1O ZINC000257213367 190013438 /nfs/dbraw/zinc/01/34/38/190013438.db2.gz CHGCYNUCQBKPNZ-GJZGRUSLSA-N 1 0 291.395 1.179 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cccnc2)cc1 ZINC000257228868 190015899 /nfs/dbraw/zinc/01/58/99/190015899.db2.gz FVPHGKFTLYJUKF-MRXNPFEDSA-N 1 0 297.358 1.877 40 0 CDABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1ccnnc1 ZINC000257232503 190016779 /nfs/dbraw/zinc/01/67/79/190016779.db2.gz GLCQWUQNZSQOHC-KNCOVGOOSA-N 1 0 286.379 1.612 40 0 CDABRO C[C@H]1COC(=O)N1c1cc(CC2CC[NH2+]CC2)ncn1 ZINC000257248056 190019832 /nfs/dbraw/zinc/01/98/32/190019832.db2.gz JBVCMDOXPJYZBN-JTQLQIEISA-N 1 0 276.340 1.364 40 0 CDABRO Cc1nccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000257258578 190021700 /nfs/dbraw/zinc/02/17/00/190021700.db2.gz KUQHRENSRJSYQQ-GFCCVEGCSA-N 1 0 257.341 1.888 40 0 CDABRO CN1CC[NH2+]C[C@H](Cc2cncc3ccccc32)C1 ZINC000257285820 190026944 /nfs/dbraw/zinc/02/69/44/190026944.db2.gz PJAAMMXZDQFLAX-ZDUSSCGKSA-N 1 0 255.365 1.929 40 0 CDABRO CN(C)C(=O)C[N@H+]1C[C@@H]2[C@@H](Cc3ccccn3)CC[C@@H]2C1 ZINC000257273927 190024985 /nfs/dbraw/zinc/02/49/85/190024985.db2.gz NIURWJKPLIFFKQ-IIAWOOMASA-N 1 0 287.407 1.670 40 0 CDABRO O=C(C[N@@H+]1CCC[C@@H](Cc2cccnc2)C1)N1CCCC1 ZINC000257292986 190027673 /nfs/dbraw/zinc/02/76/73/190027673.db2.gz QNSAHMBUIXDLFP-INIZCTEOSA-N 1 0 287.407 1.959 40 0 CDABRO OCC[NH+]1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257297856 190029427 /nfs/dbraw/zinc/02/94/27/190029427.db2.gz RJBNSJMOXULLLR-UHFFFAOYSA-N 1 0 299.378 1.787 40 0 CDABRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)CC(F)(F)F)CN1 ZINC000330945262 376360405 /nfs/dbraw/zinc/36/04/05/376360405.db2.gz GVYVJCWIBVRNTI-HBNTYKKESA-N 1 0 294.317 1.290 40 0 CDABRO O[C@@H]1CCOC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000631749562 376542604 /nfs/dbraw/zinc/54/26/04/376542604.db2.gz OHGNLCONRHPFDP-MLZVIGOLSA-N 1 0 251.370 1.551 40 0 CDABRO [NH3+]CCc1nc(-c2cc3cccc4c3n(c2=O)CC4)no1 ZINC000062710755 256724424 /nfs/dbraw/zinc/72/44/24/256724424.db2.gz UYAXKHWQDOUVCP-UHFFFAOYSA-N 1 0 282.303 1.109 40 0 CDABRO CC(C)C[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)OC(C)(C)C ZINC000001581738 390139709 /nfs/dbraw/zinc/13/97/09/390139709.db2.gz MXDWBAYBLVBWAW-VHSXEESVSA-N 1 0 258.362 1.206 40 0 CDABRO C[N@@H+](CC(=O)[O-])C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393364 390421228 /nfs/dbraw/zinc/42/12/28/390421228.db2.gz LFCSFILASHJVNC-HNNXBMFYSA-N 1 0 276.380 1.915 40 0 CDABRO C[C@H]([C@H]([NH3+])c1ccc(Br)cc1)S(C)(=O)=O ZINC000096524764 390540009 /nfs/dbraw/zinc/54/00/09/390540009.db2.gz PHUSHTWAGLAZOI-XCBNKYQSSA-N 1 0 292.198 1.882 40 0 CDABRO O=CN1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216150 390621022 /nfs/dbraw/zinc/62/10/22/390621022.db2.gz LPKFHEZUCFIHSS-CYBMUJFWSA-N 1 0 261.325 1.212 40 0 CDABRO CC(C)[N@H+](CC(=O)NC1CCCC1)C1CCOCC1 ZINC000077323779 390946265 /nfs/dbraw/zinc/94/62/65/390946265.db2.gz ADNCWHJPMJNTPL-UHFFFAOYSA-N 1 0 268.401 1.935 40 0 CDABRO CN(C)C(=O)CO[C@H]1CSC2(C[NH+](C3CCC3)C2)C1 ZINC000247958930 391423748 /nfs/dbraw/zinc/42/37/48/391423748.db2.gz DSKBHIVONLTNGO-GFCCVEGCSA-N 1 0 284.425 1.204 40 0 CDABRO COc1ccc(Br)cc1[C@H](CO)[NH2+]CCO ZINC000072417677 391683651 /nfs/dbraw/zinc/68/36/51/391683651.db2.gz QPSUZWQOAJOSRS-JTQLQIEISA-N 1 0 290.157 1.073 40 0 CDABRO CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@]2(C[NH3+])CO)cc1 ZINC000218438881 391934129 /nfs/dbraw/zinc/93/41/29/391934129.db2.gz OWGHEIDQVFILHI-ZNMIVQPWSA-N 1 0 297.420 1.087 40 0 CDABRO COC(=O)[C@@H](CCCC[NH3+])NC(=O)OCc1ccccc1 ZINC000034426526 392013989 /nfs/dbraw/zinc/01/39/89/392013989.db2.gz CZWJWNQZTSMVAZ-CYBMUJFWSA-N 1 0 294.351 1.583 40 0 CDABRO CCn1c2ccccc2cc(-c2noc(CC[NH3+])n2)c1=O ZINC000062710749 392801308 /nfs/dbraw/zinc/80/13/08/392801308.db2.gz MAWSRLQIIWERNT-UHFFFAOYSA-N 1 0 284.319 1.573 40 0 CDABRO CCOC(=O)C[C@]1([NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000091303314 285804526 /nfs/dbraw/zinc/80/45/26/285804526.db2.gz ZSZRYZNIEKNLGN-CQSZACIVSA-N 1 0 286.372 1.668 40 0 CDABRO C[NH+]1CCC(CNC(=O)NC2CCCCC2)CC1 ZINC000038489535 174142599 /nfs/dbraw/zinc/14/25/99/174142599.db2.gz DZGFPCVSJJBVQN-UHFFFAOYSA-N 1 0 253.390 1.960 40 0 CDABRO [NH3+]C1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000072221286 176343342 /nfs/dbraw/zinc/34/33/42/176343342.db2.gz DUFCQEWYBVYRNC-UHFFFAOYSA-N 1 0 288.326 1.779 40 0 CDABRO Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]Cc2cnc[nH]2)cc1 ZINC000072321689 176368504 /nfs/dbraw/zinc/36/85/04/176368504.db2.gz AOOONXSJZWFPJS-KLHDSHLOSA-N 1 0 287.363 1.086 40 0 biogenic,in-vitro CDABRO Cc1ccnc(NC(=O)c2cncc([C@H]3CCC[NH2+]3)n2)c1 ZINC000072365648 176381340 /nfs/dbraw/zinc/38/13/40/176381340.db2.gz FCGXSWUKYCKPEZ-LLVKDONJSA-N 1 0 283.335 1.857 40 0 CDABRO OCC[N@@H+]1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369816 176383974 /nfs/dbraw/zinc/38/39/74/176383974.db2.gz WNRPKNWHGLWFGV-LBPRGKRZSA-N 1 0 259.309 1.518 40 0 CDABRO C[N@@H+]1CCC[C@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1 ZINC000072382862 176388145 /nfs/dbraw/zinc/38/81/45/176388145.db2.gz XYHFLLYGORLYLT-CYBMUJFWSA-N 1 0 288.395 1.597 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)c(F)c1 ZINC000072397604 176394988 /nfs/dbraw/zinc/39/49/88/176394988.db2.gz CRZXLNYGXHEUCK-CYZMBNFOSA-N 1 0 282.334 1.604 40 0 CDABRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccon2)C1 ZINC000077957559 177312862 /nfs/dbraw/zinc/31/28/62/177312862.db2.gz KSBGSSZZWSXUAU-NSHDSACASA-N 1 0 268.313 1.188 40 0 CDABRO CC(=O)N(C(C)C)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000242548230 261255408 /nfs/dbraw/zinc/25/54/08/261255408.db2.gz LEKOSKZRJNYYDN-DRZSPHRISA-N 1 0 269.389 1.018 40 0 CDABRO CCOc1c(CNCC[NH2+]C[C@@H](C)O)cccc1OC ZINC000022075954 262344475 /nfs/dbraw/zinc/34/44/75/262344475.db2.gz REEIZOLRHJZZQZ-GFCCVEGCSA-N 1 0 282.384 1.154 40 0 CDABRO COc1ccc(-n2ncc3c2nc[nH+]c3NN)c(C)c1 ZINC000085398074 274105200 /nfs/dbraw/zinc/10/52/00/274105200.db2.gz XCBSMOZBHYKOBX-UHFFFAOYSA-N 1 0 270.296 1.418 40 0 CDABRO CC[NH+](CC)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000006382176 276098248 /nfs/dbraw/zinc/09/82/48/276098248.db2.gz ILZUUOHDKPIIEG-RYUDHWBXSA-N 1 0 250.342 1.279 40 0 CDABRO C[C@@]12CCCC[C@]1(O)N(O)C1=C(CCCC1)[N+]2=O ZINC000013738991 289221689 /nfs/dbraw/zinc/22/16/89/289221689.db2.gz RSURCJPOXVTFIU-CHWSQXEVSA-N 1 0 252.314 1.498 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391241 298944456 /nfs/dbraw/zinc/94/44/56/298944456.db2.gz IZAAUNCPESBDRQ-QJPTWQEYSA-N 1 0 299.415 1.628 40 0 CDABRO C1=CCN(c2ncnc3c2cnn3C2CC[NH2+]CC2)C1 ZINC000228932546 570372994 /nfs/dbraw/zinc/37/29/94/570372994.db2.gz AYWFPXDIXCYAOY-UHFFFAOYSA-N 1 0 270.340 1.127 40 0 CDABRO c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@@H+](CC2CC2)C3)cn1 ZINC000096052080 185074632 /nfs/dbraw/zinc/07/46/32/185074632.db2.gz PKAXKJCIPPEIKT-CVEARBPZSA-N 1 0 291.395 1.401 40 0 CDABRO C[NH+](C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccco3)C2)O1 ZINC000096052269 185074737 /nfs/dbraw/zinc/07/47/37/185074737.db2.gz GDBFNEDONSWOJO-JKSUJKDBSA-N 1 0 294.395 1.591 40 0 CDABRO c1coc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1 ZINC000096053979 185075430 /nfs/dbraw/zinc/07/54/30/185075430.db2.gz SGMISRRRSGHPNK-BETUJISGSA-N 1 0 270.336 1.638 40 0 CDABRO C(OCC1CC1)c1nnn2c1C[N@H+](CC1CC1)CCC2 ZINC000096058855 185078761 /nfs/dbraw/zinc/07/87/61/185078761.db2.gz PVVBEUIAQXQVNP-UHFFFAOYSA-N 1 0 276.384 1.820 40 0 CDABRO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]2O1 ZINC000096058215 185079544 /nfs/dbraw/zinc/07/95/44/185079544.db2.gz HMJAUIJARCAHAA-CYZMBNFOSA-N 1 0 280.393 1.474 40 0 CDABRO CC(C)C[NH+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@@H]2C1 ZINC000096081016 185090974 /nfs/dbraw/zinc/09/09/74/185090974.db2.gz LBLBOQRMYULYFE-GJZGRUSLSA-N 1 0 273.380 1.741 40 0 CDABRO O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccco2)N1c1cncnc1 ZINC000096081347 185091651 /nfs/dbraw/zinc/09/16/51/185091651.db2.gz OHUPWUWRLUWPMV-KBPBESRZSA-N 1 0 284.319 1.449 40 0 CDABRO COCC[N@@H+]1CC[C@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096087602 185094179 /nfs/dbraw/zinc/09/41/79/185094179.db2.gz GSHMFAQRINBXTN-MRXNPFEDSA-N 1 0 294.395 1.450 40 0 CDABRO Fc1cccnc1O[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000096107044 185099480 /nfs/dbraw/zinc/09/94/80/185099480.db2.gz ABLBBVWIBFXYSH-SNVBAGLBSA-N 1 0 252.289 1.511 40 0 CDABRO COc1ccccc1CN1C[C@@H]2C[N@H+](C)CCO[C@@H]2C1 ZINC000096107939 185099850 /nfs/dbraw/zinc/09/98/50/185099850.db2.gz BXLJSJGHLVWLAX-GOEBONIOSA-N 1 0 276.380 1.458 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000685936391 539098929 /nfs/dbraw/zinc/09/89/29/539098929.db2.gz VISKNHQIOAJQFV-MFKMUULPSA-N 1 0 258.362 1.308 40 0 CDABRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccnc2C)C1 ZINC000623743280 345452331 /nfs/dbraw/zinc/45/23/31/345452331.db2.gz OLBQYWDGSMBIID-BXUZGUMPSA-N 1 0 276.384 1.529 40 0 CDABRO C[NH2+]CC1(O)CCN(c2ccnc3cccnc32)CC1 ZINC000257316549 362586025 /nfs/dbraw/zinc/58/60/25/362586025.db2.gz VGBASZXITNXJIU-UHFFFAOYSA-N 1 0 272.352 1.181 40 0 CDABRO NC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[NH2+]1 ZINC000019696530 348736237 /nfs/dbraw/zinc/73/62/37/348736237.db2.gz SWLAVMXSJNONEX-HNNXBMFYSA-N 1 0 271.320 1.492 40 0 CDABRO O=S(=O)(CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000091365834 180142465 /nfs/dbraw/zinc/14/24/65/180142465.db2.gz PBYUZIOZSVYVBZ-UHFFFAOYSA-N 1 0 257.330 1.599 40 0 CDABRO CC(=O)N1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCOC1)C2 ZINC000107282579 186166182 /nfs/dbraw/zinc/16/61/82/186166182.db2.gz PUYPJOXZVGIAHE-HUUCEWRRSA-N 1 0 266.385 1.357 40 0 CDABRO Cc1ncsc1C[N@H+]1C[C@H](C(=O)N(C)C)[C@H]2OCC[C@H]21 ZINC000108535405 186221791 /nfs/dbraw/zinc/22/17/91/186221791.db2.gz VCVVKZFVXFHQJP-DMDPSCGWSA-N 1 0 295.408 1.129 40 0 CDABRO CCCNC(=O)C1([NH2+]Cc2cncnc2)CCCCC1 ZINC000154528018 351299822 /nfs/dbraw/zinc/29/98/22/351299822.db2.gz NMZHVKXFEMAHBH-UHFFFAOYSA-N 1 0 276.384 1.795 40 0 CDABRO C[C@H]1C[C@@H](NCc2nncn2-c2ccccc2)CC[N@@H+]1C ZINC000152621969 188032499 /nfs/dbraw/zinc/03/24/99/188032499.db2.gz BNZSPDSGMKDABE-KBPBESRZSA-N 1 0 285.395 1.840 40 0 CDABRO CC(C)[NH2+]CCCNC(=O)[C@H]1COc2ccccc2O1 ZINC000001669378 355944987 /nfs/dbraw/zinc/94/49/87/355944987.db2.gz USTVJTQOARUDCL-CQSZACIVSA-N 1 0 278.352 1.331 40 0 CDABRO COCCC[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000001672725 355946153 /nfs/dbraw/zinc/94/61/53/355946153.db2.gz OYBADGHPGVTZIK-UHFFFAOYSA-N 1 0 256.733 1.905 40 0 CDABRO Cc1cc(=O)[nH]c([C@@H]2CC[N@H+](Cc3ccccn3)C2)n1 ZINC000019118488 356475413 /nfs/dbraw/zinc/47/54/13/356475413.db2.gz FYNJFRQLFVGBFV-GFCCVEGCSA-N 1 0 270.336 1.463 40 0 CDABRO CCN(C(=O)c1n[nH]c2c1CCC2)C1CC[NH+](C)CC1 ZINC000019657168 356494447 /nfs/dbraw/zinc/49/44/47/356494447.db2.gz IYCPUTQPLLRACT-UHFFFAOYSA-N 1 0 276.384 1.455 40 0 CDABRO O=C(NC[C@@H]1CCC[N@H+]1CCO)OCc1ccccc1 ZINC000079410858 356993755 /nfs/dbraw/zinc/99/37/55/356993755.db2.gz PKCBVRHWEFPIIV-AWEZNQCLSA-N 1 0 278.352 1.370 40 0 CDABRO [NH3+]CCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411400 356994116 /nfs/dbraw/zinc/99/41/16/356994116.db2.gz YZUJNHJWSMQTKT-HNNXBMFYSA-N 1 0 291.395 1.584 40 0 CDABRO COc1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000064875533 357235533 /nfs/dbraw/zinc/23/55/33/357235533.db2.gz KCBBIZJGPVLPDE-UHFFFAOYSA-N 1 0 258.325 1.947 40 0 CDABRO COc1cccc(OC[C@@H]2CCC[N@H+](CC(N)=O)C2)c1 ZINC000072367775 357831019 /nfs/dbraw/zinc/83/10/19/357831019.db2.gz XRUUXZPYQSYPGH-GFCCVEGCSA-N 1 0 278.352 1.271 40 0 CDABRO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC000199768504 358092096 /nfs/dbraw/zinc/09/20/96/358092096.db2.gz ZNVBVBJFGYWTQJ-NKWVEPMBSA-N 1 0 254.252 1.743 40 0 CDABRO [NH3+]Cc1ccc([C@@H]2CNC(=O)C2)c(C(F)(F)F)c1 ZINC000199775289 358092150 /nfs/dbraw/zinc/09/21/50/358092150.db2.gz HIYXYGMNXRUIBL-QMMMGPOBSA-N 1 0 258.243 1.768 40 0 CDABRO Cc1cc(CN2CC3(C2)C[C@@H](CO)C[N@@H+]3CC2CC2)no1 ZINC000585093981 358099952 /nfs/dbraw/zinc/09/99/52/358099952.db2.gz WDQBAUSCDGQMRI-CQSZACIVSA-N 1 0 291.395 1.262 40 0 CDABRO CO[C@H]1CC[N@H+](Cc2ccc(C)o2)[C@H]2CCO[C@@H]21 ZINC000096219080 358722027 /nfs/dbraw/zinc/72/20/27/358722027.db2.gz UVDHSLAJOFDNTH-IHRRRGAJSA-N 1 0 251.326 1.966 40 0 CDABRO C[C@@H]1CO[C@]2(C1)CCCN(Cc1csnn1)C2 ZINC000096221993 358722958 /nfs/dbraw/zinc/72/29/58/358722958.db2.gz MCFJECCHPWUWEG-JQWIXIFHSA-N 1 0 253.371 1.929 40 0 CDABRO C[C@H]1CO[C@@]2(C1)CCCN(Cc1csnn1)C2 ZINC000096221986 358723014 /nfs/dbraw/zinc/72/30/14/358723014.db2.gz MCFJECCHPWUWEG-ZYHUDNBSSA-N 1 0 253.371 1.929 40 0 CDABRO CCC(CC)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC000096248907 358726301 /nfs/dbraw/zinc/72/63/01/358726301.db2.gz ASXQQUJQEIGLMX-CABCVRRESA-N 1 0 290.411 1.802 40 0 CDABRO Cc1cc(C)cc(CN2CC[C@@H](C[NH3+])S2(=O)=O)c1 ZINC000222538791 359351463 /nfs/dbraw/zinc/35/14/63/359351463.db2.gz USXZDEDICGKISS-ZDUSSCGKSA-N 1 0 268.382 1.166 40 0 CDABRO C[C@H](C(=O)NC1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439411 359420618 /nfs/dbraw/zinc/42/06/18/359420618.db2.gz GYFCOONCIZQKMD-CYBMUJFWSA-N 1 0 279.428 1.604 40 0 CDABRO O=C1CCCN1CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000336800466 359863801 /nfs/dbraw/zinc/86/38/01/359863801.db2.gz MFOTWCKRJIMOQN-CQSZACIVSA-N 1 0 259.353 1.841 40 0 CDABRO CCN1CCC[C@H]1C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062718506 374168433 /nfs/dbraw/zinc/16/84/33/374168433.db2.gz MBJFPOFESIPLJO-HNNXBMFYSA-N 1 0 289.427 1.651 40 0 CDABRO OC[C@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000225400336 374287389 /nfs/dbraw/zinc/28/73/89/374287389.db2.gz ZGRRBGYRSBKYBW-NXEZZACHSA-N 1 0 289.734 1.285 40 0 CDABRO Cc1nn(C)cc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256053006 190004455 /nfs/dbraw/zinc/00/44/55/190004455.db2.gz PQERMDZCOWJPBG-UHFFFAOYSA-N 1 0 269.299 1.480 40 0 CDABRO c1cc([C@H]2CCC[NH2+]C2)nc(Nc2cncnc2)n1 ZINC000257230568 190016102 /nfs/dbraw/zinc/01/61/02/190016102.db2.gz GCWUJHPQRNALPB-JTQLQIEISA-N 1 0 256.313 1.477 40 0 CDABRO CCn1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)cn1 ZINC000257230030 190016381 /nfs/dbraw/zinc/01/63/81/190016381.db2.gz GAMAVXVPYJDYAO-GJZGRUSLSA-N 1 0 279.384 1.673 40 0 CDABRO CCCNC(=O)c1cc(C2CC[NH+](C)CC2)nc(C)n1 ZINC000257221521 190014404 /nfs/dbraw/zinc/01/44/04/190014404.db2.gz DPKIJFYLJRTQJD-UHFFFAOYSA-N 1 0 276.384 1.734 40 0 CDABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCC[NH2+]2)cc1 ZINC000257236580 190017990 /nfs/dbraw/zinc/01/79/90/190017990.db2.gz HCVPIGAWPDLYDM-CYBMUJFWSA-N 1 0 297.362 1.639 40 0 CDABRO CCS(=O)(=O)N1CC[C@@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257268146 190023638 /nfs/dbraw/zinc/02/36/38/190023638.db2.gz MKLATRIZUIFIGY-LLVKDONJSA-N 1 0 283.397 1.571 40 0 CDABRO CN(C(=O)c1ccccn1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257278669 190025541 /nfs/dbraw/zinc/02/55/41/190025541.db2.gz ODDFXZWQQFXYMA-RBSFLKMASA-N 1 0 289.379 1.141 40 0 CDABRO Cc1cccc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000257273933 190025116 /nfs/dbraw/zinc/02/51/16/190025116.db2.gz NIVHLRDJYCKXFG-DZGCQCFKSA-N 1 0 273.380 1.994 40 0 CDABRO Fc1ccccc1OCCc1cc([C@@H]2C[NH2+]CCO2)[nH]n1 ZINC000257289948 190028048 /nfs/dbraw/zinc/02/80/48/190028048.db2.gz QAWMXMCHYAATJI-HNNXBMFYSA-N 1 0 291.326 1.831 40 0 CDABRO Cc1ncccc1C(=O)NCc1c[nH]c([C@H]2CC[N@@H+](C)C2)n1 ZINC000257295580 190028111 /nfs/dbraw/zinc/02/81/11/190028111.db2.gz QYZQBTNOKFNFQH-LBPRGKRZSA-N 1 0 299.378 1.462 40 0 CDABRO Cc1cc(C)n2ncc(C[N@@H+]3C[C@@H]4C[C@@H](O)C[C@@H]4C3)c2n1 ZINC000257302719 190030291 /nfs/dbraw/zinc/03/02/91/190030291.db2.gz SDZNCJZKDKULTP-NHAGDIPZSA-N 1 0 286.379 1.549 40 0 CDABRO [NH3+][C@@H]1COC[C@H]1Nc1ccc(Br)cc1 ZINC000218677801 375876519 /nfs/dbraw/zinc/87/65/19/375876519.db2.gz IILXTQZNDGXSNQ-NXEZZACHSA-N 1 0 257.131 1.587 40 0 CDABRO Cn1cncc1-c1cncc(CC2CC[NH+](C)CC2)n1 ZINC000257315679 190032627 /nfs/dbraw/zinc/03/26/27/190032627.db2.gz VCJYTFYGYFMXNE-UHFFFAOYSA-N 1 0 271.368 1.761 40 0 CDABRO O=S(=O)(c1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000096157170 256794897 /nfs/dbraw/zinc/79/48/97/256794897.db2.gz HVTOOPLRZPBQIR-UHFFFAOYSA-N 1 0 294.420 1.841 40 0 CDABRO c1cnc(N2CCC3(C2)CC[NH+]([C@@H]2CCOC2)CC3)nc1 ZINC000096157543 256812947 /nfs/dbraw/zinc/81/29/47/256812947.db2.gz RFSHLCHHKRIFFE-CQSZACIVSA-N 1 0 288.395 1.558 40 0 CDABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[NH+](CCO)CCO)C2 ZINC000004416406 390153577 /nfs/dbraw/zinc/15/35/77/390153577.db2.gz OWCQIMTWVDRYOB-SQWLQELKSA-N 1 0 285.428 1.504 40 0 CDABRO O=c1c2c(nc(C3CC3)n1Cc1ccccc1)CC[NH2+]C2 ZINC000096516486 390534764 /nfs/dbraw/zinc/53/47/64/390534764.db2.gz VJEMICPYHLSESX-UHFFFAOYSA-N 1 0 281.359 1.815 40 0 CDABRO O[C@H](c1ccccc1)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225511 390623197 /nfs/dbraw/zinc/62/31/97/390623197.db2.gz YFTDANIQARHXHI-MRXNPFEDSA-N 1 0 269.348 1.573 40 0 CDABRO Cc1ccc(NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000096157265 390913343 /nfs/dbraw/zinc/91/33/43/390913343.db2.gz LUUZUQLVCFQFKL-HNNXBMFYSA-N 1 0 273.336 1.832 40 0 CDABRO Cc1ocnc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000332813322 390978544 /nfs/dbraw/zinc/97/85/44/390978544.db2.gz QAOUKPKTNQHFDU-MFKMUULPSA-N 1 0 280.372 1.465 40 0 CDABRO COC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[NH2+]CC2 ZINC000238323787 391678756 /nfs/dbraw/zinc/67/87/56/391678756.db2.gz XNWFUTXQCYIPOV-IINYFYTJSA-N 1 0 284.356 1.149 40 0 CDABRO CN1CCO[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000063527694 391745846 /nfs/dbraw/zinc/74/58/46/391745846.db2.gz KBXKOPPVQNWHOL-MRXNPFEDSA-N 1 0 260.381 1.983 40 0 CDABRO COc1ccc(C[C@H]([NH3+])C(=O)N2CCCCC2)cc1 ZINC000006411246 170199056 /nfs/dbraw/zinc/19/90/56/170199056.db2.gz UWBDQJUQAWOIBO-AWEZNQCLSA-N 1 0 262.353 1.578 40 0 CDABRO CC[NH+]1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000022585910 171393476 /nfs/dbraw/zinc/39/34/76/171393476.db2.gz NMJWELDJNLGLOA-CQSZACIVSA-N 1 0 267.417 1.271 40 0 CDABRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccnn1C(F)F ZINC000659327661 413719754 /nfs/dbraw/zinc/71/97/54/413719754.db2.gz SMPZYNOYQFPRSX-SNVBAGLBSA-N 1 0 284.310 1.683 40 0 CDABRO Cc1cc(F)ccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000042646063 174832311 /nfs/dbraw/zinc/83/23/11/174832311.db2.gz QEBXELVAUCTDII-UHFFFAOYSA-N 1 0 281.331 1.141 40 0 CDABRO C[NH2+]CCN1C(=O)c2cccc3cc(N)cc(c32)C1=O ZINC000044136166 175145956 /nfs/dbraw/zinc/14/59/56/175145956.db2.gz JFLYCGLQHZUVQZ-UHFFFAOYSA-N 1 0 269.304 1.237 40 0 in-vitro CDABRO CCNC(=S)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222011 175154589 /nfs/dbraw/zinc/15/45/89/175154589.db2.gz PXLIALBCHMRXFL-UHFFFAOYSA-N 1 0 278.425 1.530 40 0 CDABRO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)Cc1ccccc1 ZINC000072343342 176371571 /nfs/dbraw/zinc/37/15/71/176371571.db2.gz TUJCCSXZNGGASX-CQSZACIVSA-N 1 0 282.409 1.590 40 0 CDABRO c1cnc(Nc2nccc([C@@H]3CCCC[NH2+]3)n2)cn1 ZINC000072376737 176385147 /nfs/dbraw/zinc/38/51/47/176385147.db2.gz UXKFVDWJWSMSTD-JTQLQIEISA-N 1 0 256.313 1.825 40 0 CDABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072382157 176388314 /nfs/dbraw/zinc/38/83/14/176388314.db2.gz YYYAOJGFSXROAB-JTQLQIEISA-N 1 0 256.313 1.743 40 0 CDABRO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000077008538 177144894 /nfs/dbraw/zinc/14/48/94/177144894.db2.gz WZDDERZVUPGCGW-UONOGXRCSA-N 1 0 294.395 1.319 40 0 CDABRO CSc1nc(Cl)cc(N2CCC[NH2+]CC2)n1 ZINC000079439935 274189438 /nfs/dbraw/zinc/18/94/38/274189438.db2.gz PNFUQJDZLXZADN-UHFFFAOYSA-N 1 0 258.778 1.652 40 0 CDABRO Cc1ccc2c(c1)C(=O)N[C@]1(CC[C@H]3C[NH2+]C[C@H]31)N2 ZINC000019218733 274770781 /nfs/dbraw/zinc/77/07/81/274770781.db2.gz SPJGJEKIJAOKSK-NVBFEUDRSA-N 1 0 257.337 1.476 40 0 CDABRO CC(=O)N1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000001726856 275770153 /nfs/dbraw/zinc/77/01/53/275770153.db2.gz PGGISUWCHITSFF-UHFFFAOYSA-N 1 0 274.364 1.857 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CN(c3cccc(F)c3)CC[C@@H]2C1 ZINC000096082329 277124943 /nfs/dbraw/zinc/12/49/43/277124943.db2.gz URMMTUIQHQPLMI-IUODEOHRSA-N 1 0 264.344 1.983 40 0 CDABRO C[N@H+]1C[C@H]2[C@H](CC[C@@]23N=C(c2ccccc2)NC3=O)C1 ZINC000096087559 277207379 /nfs/dbraw/zinc/20/73/79/277207379.db2.gz XWYVQQZHCWGHTI-DVOMOZLQSA-N 1 0 269.348 1.273 40 0 CDABRO O=C(C1CCOCC1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257225762 295450921 /nfs/dbraw/zinc/45/09/21/295450921.db2.gz FHRVIHLXCKYZHD-HNNXBMFYSA-N 1 0 274.364 1.586 40 0 CDABRO N[C@H](C[NH+]1CCCC1)C(O)c1ccc2c(c1)OCCO2 ZINC001560403765 960945826 /nfs/dbraw/zinc/94/58/26/960945826.db2.gz SISSWBNENVWREY-GFCCVEGCSA-N 1 0 277.344 1.133 40 0 CDABRO CCN(C)c1ncnc2c1CC[N@H+](Cc1cccnc1)CC2 ZINC000096058797 185078716 /nfs/dbraw/zinc/07/87/16/185078716.db2.gz MJUBTAOAHIFWDU-UHFFFAOYSA-N 1 0 297.406 1.929 40 0 CDABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N[C@@H]3C)o1 ZINC000096062197 185082266 /nfs/dbraw/zinc/08/22/66/185082266.db2.gz QDEPBMYQQWVFOF-GFCCVEGCSA-N 1 0 278.352 1.458 40 0 CDABRO C[C@@H]1N(C)C(=O)COC12CC[NH+](Cc1ccco1)CC2 ZINC000096062219 185082908 /nfs/dbraw/zinc/08/29/08/185082908.db2.gz XFMPBJRLFLCFDH-LBPRGKRZSA-N 1 0 278.352 1.491 40 0 CDABRO [NH3+]Cc1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000058021811 365606905 /nfs/dbraw/zinc/60/69/05/365606905.db2.gz YHFXHNXUQFCBHN-UHFFFAOYSA-N 1 0 259.700 1.903 40 0 CDABRO CC(C)(C)C[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 ZINC000096064859 185083988 /nfs/dbraw/zinc/08/39/88/185083988.db2.gz KBVMPUGCMODOJK-CZUORRHYSA-N 1 0 280.412 1.792 40 0 CDABRO C[N@@H+]1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(F)cc1 ZINC000096063939 185084344 /nfs/dbraw/zinc/08/43/44/185084344.db2.gz FHFKWOQIFGGNDT-QWHCGFSZSA-N 1 0 284.356 1.293 40 0 CDABRO C[C@H](O)C[NH+]1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC000096073044 185088044 /nfs/dbraw/zinc/08/80/44/185088044.db2.gz QYGUNUJKEQARNY-QWHCGFSZSA-N 1 0 279.384 1.139 40 0 CDABRO C[NH+](C)C[C@]12COC[C@H]1CN(C(=O)C1=CCCC1)C2 ZINC000096108266 282144226 /nfs/dbraw/zinc/14/42/26/282144226.db2.gz UKFLWLFSDQRZPJ-HIFRSBDPSA-N 1 0 264.369 1.133 40 0 CDABRO Cc1ccc(OC[C@]2(O)CC[N@@H+](C3CCOCC3)C2)cc1 ZINC000585269115 342254565 /nfs/dbraw/zinc/25/45/65/342254565.db2.gz KHUHFMDVRXFIIR-KRWDZBQOSA-N 1 0 291.391 1.990 40 0 CDABRO CNC(=O)C[C@@H]1C[N@@H+](C2CCCC2)CC[C@H]1OC ZINC000585274937 342255911 /nfs/dbraw/zinc/25/59/11/342255911.db2.gz RWTDLDGGGAEWDJ-DGCLKSJQSA-N 1 0 254.374 1.402 40 0 CDABRO CN(C)C(=O)[C@@]1(C)C[N@H+](CC2(O)CCCCCC2)CCO1 ZINC000585282922 342258484 /nfs/dbraw/zinc/25/84/84/342258484.db2.gz JTANTOXNTBKEJW-OAHLLOKOSA-N 1 0 298.427 1.251 40 0 CDABRO Cc1nc(-c2nccn2C)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000257243145 362579067 /nfs/dbraw/zinc/57/90/67/362579067.db2.gz IFQICGWGVQHKKE-LLVKDONJSA-N 1 0 257.341 1.653 40 0 CDABRO O=C(NC1CCCC1)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257262462 362581049 /nfs/dbraw/zinc/58/10/49/362581049.db2.gz LLLWZMGVJFWRJH-HNNXBMFYSA-N 1 0 291.370 1.663 40 0 CDABRO O=C(CC1CC1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257330483 362587051 /nfs/dbraw/zinc/58/70/51/362587051.db2.gz XOPZSOQNCWZYHT-UMVBOHGHSA-N 1 0 266.385 1.281 40 0 CDABRO COc1ccc(C)cc1-n1ncc2c1nc[nH+]c2NN ZINC000085398065 179050561 /nfs/dbraw/zinc/05/05/61/179050561.db2.gz ZSMIINLTPGZKRZ-UHFFFAOYSA-N 1 0 270.296 1.418 40 0 CDABRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)[S@](C)=O)CC2 ZINC000090843038 180044622 /nfs/dbraw/zinc/04/46/22/180044622.db2.gz AILYWZGCDXMZSV-NXPJVHOHSA-N 1 0 281.421 1.909 40 0 CDABRO C(OC[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)C1CCOCC1 ZINC000107488036 186175517 /nfs/dbraw/zinc/17/55/17/186175517.db2.gz BXVMMTJNBOUSTD-MGPQQGTHSA-N 1 0 255.358 1.339 40 0 CDABRO CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCOC1)C2 ZINC000107282575 186165364 /nfs/dbraw/zinc/16/53/64/186165364.db2.gz PUYPJOXZVGIAHE-CABCVRRESA-N 1 0 266.385 1.357 40 0 CDABRO CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cnc(C)nc1)C2 ZINC000108535579 186222283 /nfs/dbraw/zinc/22/22/83/186222283.db2.gz WLDHZKNCVXTDRC-GOEBONIOSA-N 1 0 288.395 1.523 40 0 CDABRO C[NH+](C)[C@@H]1CCOC2(CCN(C(=O)c3ccno3)CC2)C1 ZINC000108535447 186222303 /nfs/dbraw/zinc/22/23/03/186222303.db2.gz RQCHHEGTUVRFCI-GFCCVEGCSA-N 1 0 293.367 1.390 40 0 CDABRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCN(C)C1=O ZINC000136449177 363080430 /nfs/dbraw/zinc/08/04/30/363080430.db2.gz NNIKQRNRXYDFIM-BXUZGUMPSA-N 1 0 262.353 1.534 40 0 CDABRO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(NC=O)c1 ZINC000001869834 355953891 /nfs/dbraw/zinc/95/38/91/355953891.db2.gz BYJVBDSWJLABLE-GFCCVEGCSA-N 1 0 252.314 1.382 40 0 CDABRO C[C@@H]1CCc2[nH]nc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)c2C1 ZINC000012146880 356288829 /nfs/dbraw/zinc/28/88/29/356288829.db2.gz IPZMEBHLTDWGEL-QMTHXVAHSA-N 1 0 288.395 1.359 40 0 CDABRO C[C@@H](Oc1c(Cl)cccc1Cl)C(=O)NCC[NH3+] ZINC000019787321 356504450 /nfs/dbraw/zinc/50/44/50/356504450.db2.gz IYGPXILYSHJRMS-SSDOTTSWSA-N 1 0 277.151 1.836 40 0 in-vitro CDABRO O=C(CN1CC[NH2+]CC1)Nc1cc(Cl)ccc1Cl ZINC000019797592 356505048 /nfs/dbraw/zinc/50/50/48/356505048.db2.gz KVBHGEBBMDARKR-UHFFFAOYSA-N 1 0 288.178 1.837 40 0 CDABRO CC(C)(C)[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000048326747 356788268 /nfs/dbraw/zinc/78/82/68/356788268.db2.gz JNPFXZZHAKFKPV-UHFFFAOYSA-N 1 0 250.346 1.201 40 0 CDABRO CC(=O)N(CC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1)C(C)C ZINC000079418059 356994704 /nfs/dbraw/zinc/99/47/04/356994704.db2.gz LKMAIXYDVHIRBM-HNNXBMFYSA-N 1 0 297.443 1.465 40 0 CDABRO C[C@H]([NH3+])C(=O)N(Cc1ccc(Br)nc1)C1CC1 ZINC000079421594 356996155 /nfs/dbraw/zinc/99/61/55/356996155.db2.gz ZQEAJUCWZHXDEW-QMMMGPOBSA-N 1 0 298.184 1.682 40 0 CDABRO CNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000072388588 357832043 /nfs/dbraw/zinc/83/20/43/357832043.db2.gz KGKAJONARRFWEI-GFCCVEGCSA-N 1 0 278.356 1.085 40 0 CDABRO O=C(N1CC2(C1)C[C@@H](CO)C[N@@H+]2CC1CC1)C1(F)CCC1 ZINC000585093808 358098846 /nfs/dbraw/zinc/09/88/46/358098846.db2.gz GXXJPEFWDDNBRO-CYBMUJFWSA-N 1 0 296.386 1.184 40 0 CDABRO COc1ccccc1-c1noc(CSC(N)=[NH2+])n1 ZINC000089262038 358399856 /nfs/dbraw/zinc/39/98/56/358399856.db2.gz MEIMODWKRZZXKB-UHFFFAOYSA-N 1 0 264.310 1.872 40 0 CDABRO COc1cc2c(cc1OC)[C@@H](CCCO)[NH2+]CC2 ZINC000004262568 358577574 /nfs/dbraw/zinc/57/75/74/358577574.db2.gz ATYQDEIGHYQNLP-GFCCVEGCSA-N 1 0 251.326 1.663 40 0 biogenic,in-vitro CDABRO Cc1ccc(CN2C[C@@H]([NH+](C)C)[C@H]3OCCC[C@H]32)o1 ZINC000096056319 358707207 /nfs/dbraw/zinc/70/72/07/358707207.db2.gz HFVPDWVPTASRFI-KFWWJZLASA-N 1 0 264.369 1.881 40 0 CDABRO c1cnc(N2C[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)nc1 ZINC000096182435 358713370 /nfs/dbraw/zinc/71/33/70/358713370.db2.gz MJPLDCVLWFNVNF-BETUJISGSA-N 1 0 274.368 1.024 40 0 CDABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)cc1 ZINC000096184485 358714079 /nfs/dbraw/zinc/71/40/79/358714079.db2.gz HUAVZSPQGNCAAU-CABCVRRESA-N 1 0 294.420 1.603 40 0 CDABRO O[C@H]1CC[N@H+](C[C@@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200466 358718208 /nfs/dbraw/zinc/71/82/08/358718208.db2.gz NDUHCNFVKALBQZ-KKUMJFAQSA-N 1 0 262.353 1.096 40 0 CDABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)C1CC=CC1)CC2 ZINC000096208122 358719975 /nfs/dbraw/zinc/71/99/75/358719975.db2.gz OHGRAJYAUAMIJD-HNNXBMFYSA-N 1 0 292.423 1.912 40 0 CDABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccoc3)C2)C1 ZINC000096228873 358724158 /nfs/dbraw/zinc/72/41/58/358724158.db2.gz GHZDRUTXDLXSBT-INIZCTEOSA-N 1 0 292.379 1.854 40 0 CDABRO Cc1cc(C[N@@H+](C)[C@H]2CCNC2=O)cc2cccnc12 ZINC000335323562 359908221 /nfs/dbraw/zinc/90/82/21/359908221.db2.gz GWEPEMGFFUEOOQ-AWEZNQCLSA-N 1 0 269.348 1.864 40 0 CDABRO COc1cccc(N2CCN(CC(C)(C)[NH3+])CC2)c1 ZINC000040925828 361393345 /nfs/dbraw/zinc/39/33/45/361393345.db2.gz MRNAOORVKWTEGS-UHFFFAOYSA-N 1 0 263.385 1.555 40 0 CDABRO CCc1onc(C)c1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000272059725 365066642 /nfs/dbraw/zinc/06/66/42/365066642.db2.gz RZDQEGFSXFYMGE-UHFFFAOYSA-N 1 0 278.356 1.929 40 0 CDABRO c1nn(CC2CC2)c2c1[C@H](COCC1CC1)C[NH2+]C2 ZINC000306140396 367314670 /nfs/dbraw/zinc/31/46/70/367314670.db2.gz USGBWJOAJQBGJI-ZDUSSCGKSA-N 1 0 261.369 1.907 40 0 CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000026439588 296122267 /nfs/dbraw/zinc/12/22/67/296122267.db2.gz KXJXPBGNJQXIQU-MELADBBJSA-N 1 0 269.433 1.421 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218468390 372829463 /nfs/dbraw/zinc/82/94/63/372829463.db2.gz KVMCSSHMWXSLEN-AXFHLTTASA-N 1 0 259.758 1.568 40 0 CDABRO COCCCC[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000081016980 374061295 /nfs/dbraw/zinc/06/12/95/374061295.db2.gz YDYUITSAKPMHJS-UHFFFAOYSA-N 1 0 285.457 1.912 40 0 CDABRO COc1ccccc1C(=O)N1C[C@H]2CCCC[NH2+][C@H]2C1 ZINC000257330542 374421462 /nfs/dbraw/zinc/42/14/62/374421462.db2.gz XOVDLECQNLFZBE-OCCSQVGLSA-N 1 0 274.364 1.909 40 0 CDABRO C(O[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)C1CCOCC1 ZINC000306141360 374971598 /nfs/dbraw/zinc/97/15/98/374971598.db2.gz VTBDTDKFAUDWAP-UONOGXRCSA-N 1 0 255.358 1.341 40 0 CDABRO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccc(-n2cccn2)c1 ZINC000080723885 374982420 /nfs/dbraw/zinc/98/24/20/374982420.db2.gz RENGXXZJUCAFPF-SWLSCSKDSA-N 1 0 284.363 1.802 40 0 CDABRO CC(C)Cn1ncnc1C[NH2+][C@H]1CCCCC[C@H]1C(N)=O ZINC000132848250 375612480 /nfs/dbraw/zinc/61/24/80/375612480.db2.gz AUSWCJCFQXZSEK-OLZOCXBDSA-N 1 0 293.415 1.458 40 0 CDABRO Cn1cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cn1 ZINC000256050811 190003060 /nfs/dbraw/zinc/00/30/60/190003060.db2.gz GPGVJJPIODSGRI-UHFFFAOYSA-N 1 0 273.262 1.469 40 0 CDABRO CNc1cc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)ccn1 ZINC000257206196 190011199 /nfs/dbraw/zinc/01/11/99/190011199.db2.gz BCGQIAXBMAVGFI-CYBMUJFWSA-N 1 0 276.384 1.391 40 0 CDABRO COc1ccc(-c2ccc3nnc([C@@H](C)[NH3+])n3n2)cc1 ZINC000217554654 375670745 /nfs/dbraw/zinc/67/07/45/375670745.db2.gz BPHBIHBUIOQBIA-SECBINFHSA-N 1 0 269.308 1.820 40 0 CDABRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000257210845 190011965 /nfs/dbraw/zinc/01/19/65/190011965.db2.gz BWJSMFJFSYEBDH-HUUCEWRRSA-N 1 0 276.380 1.669 40 0 CDABRO O=C(NCCO)c1cc([C@@H]2CC[NH2+]C2)nc2ccccc21 ZINC000257215209 190012922 /nfs/dbraw/zinc/01/29/22/190012922.db2.gz CPDPTFBTIGSHSI-LLVKDONJSA-N 1 0 285.347 1.034 40 0 CDABRO C[N@@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@H](C(N)=O)C1 ZINC000257234620 190016623 /nfs/dbraw/zinc/01/66/23/190016623.db2.gz GUKDNHXDNBSDLH-LLVKDONJSA-N 1 0 299.777 1.328 40 0 CDABRO CN(C)Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cncnc3)C2)n1 ZINC000257247087 190019584 /nfs/dbraw/zinc/01/95/84/190019584.db2.gz IXJKZUIYHREEDN-CYBMUJFWSA-N 1 0 286.383 1.251 40 0 CDABRO CNc1cc(C)[nH+]c([C@@H]2CCN(S(=O)(=O)N(C)C)C2)c1 ZINC000257259019 190021618 /nfs/dbraw/zinc/02/16/18/190021618.db2.gz KWLSLGCOSRXXOX-LLVKDONJSA-N 1 0 298.412 1.027 40 0 CDABRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257257286 190021760 /nfs/dbraw/zinc/02/17/60/190021760.db2.gz KOXHACKGDIMFTF-GFCCVEGCSA-N 1 0 276.384 1.384 40 0 CDABRO Cn1ccnc1-c1nccnc1C[C@H]1CCC[NH2+]C1 ZINC000257282343 190026338 /nfs/dbraw/zinc/02/63/38/190026338.db2.gz OTJPGXQDXFNRMY-LLVKDONJSA-N 1 0 257.341 1.419 40 0 CDABRO Nc1nc(C2CC[NH2+]CC2)ccc1C(=O)N1CCCC1 ZINC000257282361 190026522 /nfs/dbraw/zinc/02/65/22/190026522.db2.gz OTLIQXHHXRHREV-UHFFFAOYSA-N 1 0 274.368 1.367 40 0 CDABRO c1cnc(Nc2nccnc2[C@@H]2CCC[NH2+]C2)cn1 ZINC000257306072 190031271 /nfs/dbraw/zinc/03/12/71/190031271.db2.gz SSUFGPISANSCEM-SNVBAGLBSA-N 1 0 256.313 1.477 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2[nH]cnc2C)cc1 ZINC000257339178 190037000 /nfs/dbraw/zinc/03/70/00/190037000.db2.gz ZAMRHGFSDAVFIE-MRXNPFEDSA-N 1 0 286.379 1.873 40 0 CDABRO CN1CC[NH+]([C@H]2CCCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000173277673 378093237 /nfs/dbraw/zinc/09/32/37/378093237.db2.gz YXFGWJBACZGQKY-AWEZNQCLSA-N 1 0 281.444 1.661 40 0 CDABRO Cc1ccc(C)c(CC(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000053142243 378742453 /nfs/dbraw/zinc/74/24/53/378742453.db2.gz ZGMZDWYHSHBBOC-CQSZACIVSA-N 1 0 260.381 1.962 40 0 CDABRO O=C1NCCC12CC[NH+](CC1CCOCC1)CC2 ZINC000096046705 296365025 /nfs/dbraw/zinc/36/50/25/296365025.db2.gz RGUDAUBWRHALKQ-UHFFFAOYSA-N 1 0 252.358 1.015 40 0 CDABRO OCC[N@H+](C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393536 285255345 /nfs/dbraw/zinc/25/53/45/285255345.db2.gz OMPQKCRADZNUCA-INIZCTEOSA-N 1 0 260.381 1.718 40 0 CDABRO COc1ccccc1C[NH2+]C[C@H]1Cn2ccnc2CO1 ZINC000096296258 256793426 /nfs/dbraw/zinc/79/34/26/256793426.db2.gz GQKMLHRODQCEPJ-ZDUSSCGKSA-N 1 0 273.336 1.580 40 0 biogenic,in-vitro CDABRO CC(C)C[N@@H+]1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253204 256835850 /nfs/dbraw/zinc/83/58/50/256835850.db2.gz GACLNNYSRVOQEF-HZSPNIEDSA-N 1 0 266.385 1.354 40 0 CDABRO C[N@@H+]1CCC[C@@H](CNC(=S)NC2CCCC2)C1 ZINC000009876480 390195928 /nfs/dbraw/zinc/19/59/28/390195928.db2.gz SJWWIKHTOLVSNK-NSHDSACASA-N 1 0 255.431 1.735 40 0 CDABRO COc1ccc([C@@H](O)C(CN(C)C)C[NH+](C)C)cc1 ZINC000001610808 169724673 /nfs/dbraw/zinc/72/46/73/169724673.db2.gz AHUVJDUMWKOIDL-OAHLLOKOSA-N 1 0 266.385 1.468 40 0 CDABRO CC(C)Oc1ncc([C@H](C[NH3+])N2CCCCC2)cn1 ZINC000096511161 390530984 /nfs/dbraw/zinc/53/09/84/390530984.db2.gz YAVUVVFAVKLTPI-ZDUSSCGKSA-N 1 0 264.373 1.750 40 0 CDABRO COc1ccccc1C1=N[C@]2(CCC[NH2+]C2)N(C)C1=O ZINC000096516447 390534584 /nfs/dbraw/zinc/53/45/84/390534584.db2.gz ZYHGYILOJVMQDQ-OAHLLOKOSA-N 1 0 273.336 1.036 40 0 CDABRO CN1CCN(c2ncccc2C2=[NH+]CCCC2)CC1 ZINC000072216593 390622255 /nfs/dbraw/zinc/62/22/55/390622255.db2.gz FZYYDGSGFIZDIA-UHFFFAOYSA-N 1 0 258.369 1.806 40 0 CDABRO Cc1nc([C@@H]2CC[N@@H+]2C2CCOCC2)cc(N(C)C)n1 ZINC000072387473 390627965 /nfs/dbraw/zinc/62/79/65/390627965.db2.gz UADXGECFZCWCMF-AWEZNQCLSA-N 1 0 276.384 1.777 40 0 CDABRO Cc1ccc(CSCCNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000150749476 391367131 /nfs/dbraw/zinc/36/71/31/391367131.db2.gz YNKMYSSKOFDHGG-CQSZACIVSA-N 1 0 278.421 1.954 40 0 CDABRO CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@]2(C[NH3+])COC)cc1 ZINC000252514975 392796876 /nfs/dbraw/zinc/79/68/76/392796876.db2.gz FOVIHOKEFKTLNW-RBSFLKMASA-N 1 0 297.420 1.351 40 0 CDABRO CC(C)(C)CC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCCC2)[C@@H]1O ZINC000096296082 393174843 /nfs/dbraw/zinc/17/48/43/393174843.db2.gz LEPOJTSLFYMCFC-NFAWXSAZSA-N 1 0 298.427 1.199 40 0 biogenic,in-vitro CDABRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)COc1ccccc1 ZINC000261569594 140351211 /nfs/dbraw/zinc/35/12/11/140351211.db2.gz MXJVOMULBYYHIP-ZDUSSCGKSA-N 1 0 262.353 1.570 40 0 CDABRO CC[NH+](CC)CCOC(=O)c1ccc2c(c1)OCO2 ZINC000005672154 170126173 /nfs/dbraw/zinc/12/61/73/170126173.db2.gz QTUJBQHVFCJREF-UHFFFAOYSA-N 1 0 265.309 1.914 40 0 CDABRO Cc1ccccc1O[C@H](C)C(=O)NCC[NH+](C)C ZINC000006208022 170182846 /nfs/dbraw/zinc/18/28/46/170182846.db2.gz MEROEDXNHWJLDP-GFCCVEGCSA-N 1 0 250.342 1.440 40 0 CDABRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000006304931 170189960 /nfs/dbraw/zinc/18/99/60/170189960.db2.gz FHLMBSXYJBELQN-AWEZNQCLSA-N 1 0 278.352 1.481 40 0 CDABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000006454346 170202485 /nfs/dbraw/zinc/20/24/85/170202485.db2.gz UFYFVTDYNMFGOB-JTQLQIEISA-N 1 0 270.760 1.785 40 0 CDABRO COC[C@@H](C)NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000006792250 170244323 /nfs/dbraw/zinc/24/43/23/170244323.db2.gz IVFCYQSRCUEEFR-CYBMUJFWSA-N 1 0 291.395 1.445 40 0 CDABRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1 ZINC000009876677 170388370 /nfs/dbraw/zinc/38/83/70/170388370.db2.gz GLNGBFDLKUNTIE-LBPRGKRZSA-N 1 0 253.390 1.960 40 0 CDABRO COCC[NH+]1CCC(CNC(=O)c2cc(C)on2)CC1 ZINC000038582786 174148511 /nfs/dbraw/zinc/14/85/11/174148511.db2.gz VFFHPFUXLSFNSS-UHFFFAOYSA-N 1 0 281.356 1.071 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000040464150 174273172 /nfs/dbraw/zinc/27/31/72/174273172.db2.gz XTCINDDCXBWSAW-IUCAKERBSA-N 1 0 284.347 1.868 40 0 CDABRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000063171004 175683362 /nfs/dbraw/zinc/68/33/62/175683362.db2.gz HKGDYHRHXMQASP-SECBINFHSA-N 1 0 276.789 1.664 40 0 CDABRO COCc1cc(CC2([NH2+]CC(C)C)COC2)no1 ZINC000072321922 176369436 /nfs/dbraw/zinc/36/94/36/176369436.db2.gz BZPVEXWSIHKJGX-UHFFFAOYSA-N 1 0 254.330 1.378 40 0 biogenic,in-vitro CDABRO CNC(=O)[C@@]1(CCCc2cccnc2)CCCC[NH2+]1 ZINC000072344206 176372635 /nfs/dbraw/zinc/37/26/35/176372635.db2.gz PPMVJPGVCWOEIS-HNNXBMFYSA-N 1 0 261.369 1.663 40 0 CDABRO O=C(NCCc1ccccc1)c1cnc([C@H]2CCC[NH2+]2)cn1 ZINC000072365583 176380647 /nfs/dbraw/zinc/38/06/47/176380647.db2.gz DCWHERNWWZGVLP-CQSZACIVSA-N 1 0 296.374 1.874 40 0 CDABRO O=C([C@H]1CCC[N@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000072367919 176382839 /nfs/dbraw/zinc/38/28/39/176382839.db2.gz KTEUFINUROLFFJ-HNNXBMFYSA-N 1 0 273.380 1.916 40 0 CDABRO Cc1cc(C(=O)NCC(C)C)nc(C2CC[NH+](C)CC2)n1 ZINC000072369337 176384041 /nfs/dbraw/zinc/38/40/41/176384041.db2.gz MNUUNAWHAOCQCV-UHFFFAOYSA-N 1 0 290.411 1.980 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1CCc1ccccc1 ZINC000072397561 176395265 /nfs/dbraw/zinc/39/52/65/176395265.db2.gz XRIKRUOILXDREA-CWRNSKLLSA-N 1 0 260.381 1.368 40 0 CDABRO Cn1cc(C[N@@H+]2CCOC[C@H](O)C2)c2ccccc21 ZINC000077266065 177247429 /nfs/dbraw/zinc/24/74/29/177247429.db2.gz JCWNGCFZWYPWJC-CYBMUJFWSA-N 1 0 260.337 1.371 40 0 biogenic,in-vitro CDABRO COCCOc1ccc(C[NH2+][C@@H]2CCC(=O)NC2)cc1 ZINC000078656917 177367221 /nfs/dbraw/zinc/36/72/21/177367221.db2.gz XSFSZNIRROPMRU-CYBMUJFWSA-N 1 0 278.352 1.080 40 0 CDABRO CCC[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)CC1 ZINC000079002088 177414347 /nfs/dbraw/zinc/41/43/47/177414347.db2.gz PBAXIQBHPZSPSP-GOEBONIOSA-N 1 0 293.455 1.661 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391242 177475700 /nfs/dbraw/zinc/47/57/00/177475700.db2.gz IZAAUNCPESBDRQ-TUAOUCFPSA-N 1 0 299.415 1.628 40 0 CDABRO CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]([NH3+])C(C)(C)C ZINC000157585949 276988125 /nfs/dbraw/zinc/98/81/25/276988125.db2.gz MWIJYLQQAVEHNB-ZDUSSCGKSA-N 1 0 278.352 1.747 40 0 CDABRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCNC(=O)CC2)CC1 ZINC000030677731 277181056 /nfs/dbraw/zinc/18/10/56/277181056.db2.gz IBRBCYQKFAXUCD-UHFFFAOYSA-N 1 0 297.399 1.208 40 0 CDABRO Cc1c2c(nn1C)nc(N1CC[NH2+]CC1)cc2C(F)(F)F ZINC000012398895 280260212 /nfs/dbraw/zinc/26/02/12/280260212.db2.gz JRWNPUXINJYDGC-UHFFFAOYSA-N 1 0 299.300 1.705 40 0 CDABRO Cc1nc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)co1 ZINC000257336474 293161648 /nfs/dbraw/zinc/16/16/48/293161648.db2.gz YOPWTJGIRWKPJO-WCQYABFASA-N 1 0 263.341 1.587 40 0 CDABRO Cc1ccc(CCNC(=O)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000057547503 329522899 /nfs/dbraw/zinc/52/28/99/329522899.db2.gz ZCWCXGPJMCASOI-OAHLLOKOSA-N 1 0 260.381 1.962 40 0 CDABRO C[C@@H]1CCN(C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC000903549161 626022013 /nfs/dbraw/zinc/02/20/13/626022013.db2.gz FCMUJWJOHOATNX-CYBMUJFWSA-N 1 0 281.400 1.293 40 0 CDABRO C[NH+](C)[C@H]1COC[C@@H]1Oc1ncccc1Br ZINC000585654006 1160096842 /nfs/dbraw/zinc/09/68/42/1160096842.db2.gz BHZBUVSKYSLXFF-UWVGGRQHSA-N 1 0 287.157 1.552 40 0 CDABRO CC(C)(C)OC(=O)N1CCOC[C@H]1C1CC[NH2+]CC1 ZINC000096945357 1174590100 /nfs/dbraw/zinc/59/01/00/1174590100.db2.gz GHSWKIAURSDEMQ-LBPRGKRZSA-N 1 0 270.373 1.622 40 0 CDABRO Fc1ccc(-c2nsc(N3CC[NH2+]CC3)n2)cc1 ZINC000216642918 398205983 /nfs/dbraw/zinc/20/59/83/398205983.db2.gz BQQZKLBOWGASRE-UHFFFAOYSA-N 1 0 264.329 1.754 40 0 CDABRO O[C@H]1CC[N@H+](Cc2ccccn2)[C@H]1Cc1ccncc1 ZINC000096061651 185082415 /nfs/dbraw/zinc/08/24/15/185082415.db2.gz YVFAKPPRPCZZTC-HOTGVXAUSA-N 1 0 269.348 1.655 40 0 CDABRO C[C@@H]1NC(=O)COC12CC[NH+](Cc1ccco1)CC2 ZINC000096062189 185082753 /nfs/dbraw/zinc/08/27/53/185082753.db2.gz ABCBUBRQDPQLRR-NSHDSACASA-N 1 0 264.325 1.149 40 0 CDABRO Cn1cc(C[C@H]2[C@H](O)CC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000096061618 185082763 /nfs/dbraw/zinc/08/27/63/185082763.db2.gz ULFLVFRJVBFIPJ-JKSUJKDBSA-N 1 0 289.354 1.737 40 0 CDABRO CCN1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)C1=O ZINC000096073928 185088096 /nfs/dbraw/zinc/08/80/96/185088096.db2.gz CYOSVHNPRGGWDB-INIZCTEOSA-N 1 0 273.380 1.916 40 0 CDABRO COC[C@]12COC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000096108634 185100195 /nfs/dbraw/zinc/10/01/95/185100195.db2.gz UMLQGGPORIDXTA-HZPDHXFCSA-N 1 0 261.365 1.824 40 0 CDABRO C[N@@H+]1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102036 342212328 /nfs/dbraw/zinc/21/23/28/342212328.db2.gz OHPHCGQPDRFYPP-CQSZACIVSA-N 1 0 292.408 1.726 40 0 CDABRO CNc1cc([C@@H]2CCCN2C(=O)C2([NH3+])CCCC2)ccn1 ZINC000585181499 342232723 /nfs/dbraw/zinc/23/27/23/342232723.db2.gz QRQSJLOATIAWRX-ZDUSSCGKSA-N 1 0 288.395 1.480 40 0 CDABRO CC[NH+](CC)CCNC(=O)c1c(N)cnn1C1CCCC1 ZINC000685936065 539098982 /nfs/dbraw/zinc/09/89/82/539098982.db2.gz COZMRNDTYIDTEJ-UHFFFAOYSA-N 1 0 293.415 1.652 40 0 CDABRO C[C@]12CCC[N@H+](CC3(O)CCCC3)[C@H]1CCCC(=O)N2 ZINC000585284489 342258622 /nfs/dbraw/zinc/25/86/22/342258622.db2.gz SOLCWGHTJBZXGV-ZFWWWQNUSA-N 1 0 280.412 1.815 40 0 CDABRO Cc1nccnc1C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072367455 282217564 /nfs/dbraw/zinc/21/75/64/282217564.db2.gz OAORJUDBMSEYGZ-ZIAGYGMSSA-N 1 0 261.369 1.878 40 0 CDABRO COC[C@@H]1CCC[N@H+](CCC(=O)NC(C)(C)C)C1 ZINC000079090956 362139957 /nfs/dbraw/zinc/13/99/57/362139957.db2.gz PEQGCJDGPNKFJD-GFCCVEGCSA-N 1 0 256.390 1.650 40 0 CDABRO C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000111795566 365753222 /nfs/dbraw/zinc/75/32/22/365753222.db2.gz KUEXQFQDEIKDOW-SNVBAGLBSA-N 1 0 298.333 1.911 40 0 CDABRO c1csc(-c2nsc(N3CC[NH2+]CC3)n2)c1 ZINC000145455937 362293796 /nfs/dbraw/zinc/29/37/96/362293796.db2.gz KROQVWCAQNATNQ-UHFFFAOYSA-N 1 0 252.368 1.676 40 0 CDABRO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)cn1 ZINC000503866630 362305626 /nfs/dbraw/zinc/30/56/26/362305626.db2.gz VCXNPBJOVDXFKZ-GJZGRUSLSA-N 1 0 288.395 1.395 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@H]2OCCC[C@@]2(C[NH3+])C1 ZINC000095740455 345119008 /nfs/dbraw/zinc/11/90/08/345119008.db2.gz UUOBDYOZHPKZNH-BXUZGUMPSA-N 1 0 270.373 1.751 40 0 CDABRO CNC(=O)[C@@H]1CN(C)CC[N@H+](CC2CCCCC2)C1 ZINC000257336632 362587112 /nfs/dbraw/zinc/58/71/12/362587112.db2.gz YPHGADXUZNBCRU-CQSZACIVSA-N 1 0 267.417 1.176 40 0 CDABRO COC(=O)[C@H]1C[C@@]2(c3ccccc3NC2=O)[N@@H+]2CCC[C@H]12 ZINC000062716014 350409930 /nfs/dbraw/zinc/40/99/30/350409930.db2.gz GILNPVJKDQWNGY-WNMQOVRZSA-N 1 0 286.331 1.491 40 0 CDABRO O=C(c1ccsc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000107500260 186176622 /nfs/dbraw/zinc/17/66/22/186176622.db2.gz AVRSQTFOGJXQMW-ZDUSSCGKSA-N 1 0 250.367 1.964 40 0 CDABRO Cc1ccc2cc(CNCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004132826 363193222 /nfs/dbraw/zinc/19/32/22/363193222.db2.gz MLCIBJQQVKVVSK-UHFFFAOYSA-N 1 0 273.380 1.878 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1CCc2ccc(F)cc2C1 ZINC000157768435 188337233 /nfs/dbraw/zinc/33/72/33/188337233.db2.gz GHMNNKKFKDWGCD-ZDUSSCGKSA-N 1 0 282.384 1.791 40 0 CDABRO C[NH+]1CCN(CCCNC(=O)C2CCCCC2)CC1 ZINC000065564657 363309829 /nfs/dbraw/zinc/30/98/29/363309829.db2.gz QVMPIHNEGHKMAH-UHFFFAOYSA-N 1 0 267.417 1.320 40 0 CDABRO Nc1nc(N)c(N)c(Nc2ccc(Br)cc2)n1 ZINC000000135678 355889974 /nfs/dbraw/zinc/88/99/74/355889974.db2.gz GREGFIAHQBQWGH-UHFFFAOYSA-N 1 0 295.144 1.729 40 0 CDABRO COC(=O)[C@H](c1ccccc1)C1(O)CC[NH+](C)CC1 ZINC000001671188 355946309 /nfs/dbraw/zinc/94/63/09/355946309.db2.gz GZTJNAWEAHHUMA-ZDUSSCGKSA-N 1 0 263.337 1.400 40 0 CDABRO COC(=O)CCC(CCC(=O)OC)[NH+]1CCCC1 ZINC000003847336 356010635 /nfs/dbraw/zinc/01/06/35/356010635.db2.gz RNZWTZGGXBUVIB-UHFFFAOYSA-N 1 0 257.330 1.357 40 0 CDABRO O=C(COc1ccc(Cl)cc1)N1CCC[NH2+]CC1 ZINC000019407667 358503383 /nfs/dbraw/zinc/50/33/83/358503383.db2.gz BPQUWJUJPBNXCW-UHFFFAOYSA-N 1 0 268.744 1.541 40 0 CDABRO Cc1c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cnn1C ZINC000019553411 356491402 /nfs/dbraw/zinc/49/14/02/356491402.db2.gz PBNBHXRUUDSMFG-HNNXBMFYSA-N 1 0 286.379 1.761 40 0 CDABRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC000019527290 356490309 /nfs/dbraw/zinc/49/03/09/356490309.db2.gz NKBHLVZZWOPGSW-CYBMUJFWSA-N 1 0 277.368 1.694 40 0 CDABRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1nc(C)c(C)c1C ZINC000019527279 356490849 /nfs/dbraw/zinc/49/08/49/356490849.db2.gz MPVYGZFGHNXAIP-HNNXBMFYSA-N 1 0 292.427 1.799 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000040833703 356873979 /nfs/dbraw/zinc/87/39/79/356873979.db2.gz KICCXACORHAAQH-FZMZJTMJSA-N 1 0 278.352 1.268 40 0 CDABRO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1F ZINC000074934573 356942044 /nfs/dbraw/zinc/94/20/44/356942044.db2.gz BUKYBBRCQKBPRT-UHFFFAOYSA-N 1 0 290.360 1.064 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079409665 356992191 /nfs/dbraw/zinc/99/21/91/356992191.db2.gz SSCBCHWPTFFJMC-WDEREUQCSA-N 1 0 285.388 1.192 40 0 CDABRO C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079415227 356993084 /nfs/dbraw/zinc/99/30/84/356993084.db2.gz IVYFRJJQWNLGJP-GJZGRUSLSA-N 1 0 275.396 1.505 40 0 CDABRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[NH3+])CC1 ZINC000079415213 356994246 /nfs/dbraw/zinc/99/42/46/356994246.db2.gz YYENBZLYGLZRBG-UHFFFAOYSA-N 1 0 275.396 1.316 40 0 CDABRO Cc1c(CNC(=O)[C@@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cnn1C ZINC000089882975 357504378 /nfs/dbraw/zinc/50/43/78/357504378.db2.gz IPKCOFQOZAPJSF-GMXVVIOVSA-N 1 0 278.400 1.606 40 0 CDABRO CC[NH+]1CCN(CCCOc2ccc(C=O)cc2)CC1 ZINC000019798140 358143440 /nfs/dbraw/zinc/14/34/40/358143440.db2.gz LLJDWYFDJSOYEG-UHFFFAOYSA-N 1 0 276.380 1.906 40 0 CDABRO C[NH+](C)[C@H]1COC[C@@H]2CN(Cc3nccs3)C[C@@H]21 ZINC000096186811 358714940 /nfs/dbraw/zinc/71/49/40/358714940.db2.gz SYTLPLCJWYJBJL-SRVKXCTJSA-N 1 0 267.398 1.152 40 0 CDABRO Cc1nnn2c1COC[C@H](C[NH2+]Cc1cccs1)C2 ZINC000096199304 358717417 /nfs/dbraw/zinc/71/74/17/358717417.db2.gz WKHFVIKYQPBUDO-LLVKDONJSA-N 1 0 278.381 1.584 40 0 CDABRO c1c[nH]c(CN2C[C@H]3OC[C@@H](COc4ccccc4)[C@H]3C2)n1 ZINC000096217203 358721544 /nfs/dbraw/zinc/72/15/44/358721544.db2.gz CFHAFGSPRXYUOZ-FVQBIDKESA-N 1 0 299.374 1.936 40 0 CDABRO CC[NH+]1CCC2(C[C@H](Nc3ncccn3)CO2)CC1 ZINC000096221648 358722744 /nfs/dbraw/zinc/72/27/44/358722744.db2.gz ODNFAHLZISDPQK-LBPRGKRZSA-N 1 0 262.357 1.532 40 0 CDABRO CCN1Cc2ccccc2CC2(CC[NH2+]CC2)C1=O ZINC000096243393 358724946 /nfs/dbraw/zinc/72/49/46/358724946.db2.gz RONIHZYILUKCLV-UHFFFAOYSA-N 1 0 258.365 1.961 40 0 CDABRO C[N@@H+]1CCC[C@@]2(CN(Cc3cccnc3)CCO2)C1 ZINC000096268597 358730580 /nfs/dbraw/zinc/73/05/80/358730580.db2.gz FBQAAMCAWDPDOR-HNNXBMFYSA-N 1 0 261.369 1.378 40 0 CDABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2F)C[C@@H](C)O1 ZINC000019271903 358895006 /nfs/dbraw/zinc/89/50/06/358895006.db2.gz BINUIMUTYHIZNB-GYSYKLTISA-N 1 0 252.333 1.935 40 0 CDABRO COc1ccc(-c2nc(SCC[NH3+])n[nH]2)cc1 ZINC000224978496 359540978 /nfs/dbraw/zinc/54/09/78/359540978.db2.gz PZFIQRHPXCKTPY-UHFFFAOYSA-N 1 0 250.327 1.531 40 0 CDABRO COP(=O)(OC)[C@@]1(O)C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000031812348 359644959 /nfs/dbraw/zinc/64/49/59/359644959.db2.gz ANRNCSUBAGMGGV-AEJSXWLSSA-N 1 0 251.263 1.521 40 0 CDABRO CCOC(=O)[C@@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217987548 360578272 /nfs/dbraw/zinc/57/82/72/360578272.db2.gz HMHXGAGTKLGKGK-GXTWGEPZSA-N 1 0 297.376 1.049 40 0 CDABRO C[C@@H](C[NH2+][C@@]1(CO)CCOC1)c1ccc(F)cc1 ZINC000225480835 374494060 /nfs/dbraw/zinc/49/40/60/374494060.db2.gz IDLKHXRAEOPYAM-SMDDNHRTSA-N 1 0 253.317 1.670 40 0 CDABRO Cc1nc2c([nH]1)C[C@H](C(=O)Nc1cccnc1)CC2 ZINC000225517945 374647630 /nfs/dbraw/zinc/64/76/30/374647630.db2.gz CJDMZUWCMSVMMK-SNVBAGLBSA-N 1 0 256.309 1.857 40 0 CDABRO CC[NH+]1CCN(CCNC(=O)c2cccc(Cl)n2)CC1 ZINC000079050248 374764631 /nfs/dbraw/zinc/76/46/31/374764631.db2.gz YCLQJJBWGDIUIJ-UHFFFAOYSA-N 1 0 296.802 1.102 40 0 CDABRO Cn1cnc2c1[C@H](COCc1cccnc1)[NH2+]CC2 ZINC000306131776 374969565 /nfs/dbraw/zinc/96/95/65/374969565.db2.gz KPJBMFXKTCPSQB-ZDUSSCGKSA-N 1 0 258.325 1.219 40 0 CDABRO O=C(N1CCCC1)N1CC[N@@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000306135786 374970719 /nfs/dbraw/zinc/97/07/19/374970719.db2.gz PAURGSWULQWVEN-LSDHHAIUSA-N 1 0 293.411 1.387 40 0 CDABRO CN(Cc1ccco1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC000306124634 374967819 /nfs/dbraw/zinc/96/78/19/374967819.db2.gz BVOJOVCEVFKAGX-YUTCNCBUSA-N 1 0 250.342 1.478 40 0 CDABRO C[C@H]1C[N@H+](CCCCC2CCOCC2)CCN1CCO ZINC000225628789 375173709 /nfs/dbraw/zinc/17/37/09/375173709.db2.gz VVICVVZHGJASSF-HNNXBMFYSA-N 1 0 284.444 1.582 40 0 CDABRO CC[NH+](CC)CCNCc1cnn(CC(F)(F)F)c1 ZINC000256054405 190005251 /nfs/dbraw/zinc/00/52/51/190005251.db2.gz WDGPAKBRRZEITF-UHFFFAOYSA-N 1 0 278.322 1.877 40 0 CDABRO O=C(Nc1cc(-c2ccccc2F)[nH]n1)[C@@H]1C[NH2+]CCO1 ZINC000257197566 190010176 /nfs/dbraw/zinc/01/01/76/190010176.db2.gz CYELPCCMTPIIEQ-LBPRGKRZSA-N 1 0 290.298 1.143 40 0 CDABRO O=C(CO)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000257217888 190013993 /nfs/dbraw/zinc/01/39/93/190013993.db2.gz DAZWIGUIZLSNDY-ZOBUZTSGSA-N 1 0 288.391 1.506 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cccnc2)cc1 ZINC000257228867 190016085 /nfs/dbraw/zinc/01/60/85/190016085.db2.gz FVPHGKFTLYJUKF-INIZCTEOSA-N 1 0 297.358 1.877 40 0 CDABRO CO[C@H]1CCCOC12CC[NH+](Cc1ccn(C)n1)CC2 ZINC000257219343 190014193 /nfs/dbraw/zinc/01/41/93/190014193.db2.gz DGLVGFOJNSDCMG-AWEZNQCLSA-N 1 0 279.384 1.580 40 0 CDABRO c1ccc(C[N@H+]2CCOC[C@@H](Cc3cnccn3)C2)nc1 ZINC000257222508 190014342 /nfs/dbraw/zinc/01/43/42/190014342.db2.gz DTOAIWQWOWPMTP-AWEZNQCLSA-N 1 0 284.363 1.563 40 0 CDABRO CCOCCCNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000058329456 375732162 /nfs/dbraw/zinc/73/21/62/375732162.db2.gz NDPIKWALHWZXBJ-UHFFFAOYSA-N 1 0 279.384 1.778 40 0 CDABRO Cc1c[nH]c([C@H]2CCC[N@H+](CC3(O)CCOCC3)C2)n1 ZINC000257264974 190023410 /nfs/dbraw/zinc/02/34/10/190023410.db2.gz LWUIVDZUMXJFIA-ZDUSSCGKSA-N 1 0 279.384 1.439 40 0 CDABRO COc1cccc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257256569 190021887 /nfs/dbraw/zinc/02/18/87/190021887.db2.gz KMANXFDQWGEDPO-HOTGVXAUSA-N 1 0 277.364 1.811 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@@H]([NH3+])[C@@H]1c1ccc(Br)cc1 ZINC000218197499 375804726 /nfs/dbraw/zinc/80/47/26/375804726.db2.gz BCAYKDOSAQCOBW-GUBZILKMSA-N 1 0 290.182 1.287 40 0 CDABRO Cn1nccc1C(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257301874 190030736 /nfs/dbraw/zinc/03/07/36/190030736.db2.gz SAHSUFOVDUPKAE-ZFWWWQNUSA-N 1 0 276.384 1.557 40 0 CDABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)N2CCCC2)c1 ZINC000257313615 190032191 /nfs/dbraw/zinc/03/21/91/190032191.db2.gz UTIYAPOGXAYMAY-UHFFFAOYSA-N 1 0 270.336 1.567 40 0 CDABRO C[N@@H+]1CCN(Cc2cccc(Cl)c2)C[C@@H](C(N)=O)C1 ZINC000257334609 190036404 /nfs/dbraw/zinc/03/64/04/190036404.db2.gz YGQOPGGAIQJDAL-LBPRGKRZSA-N 1 0 281.787 1.189 40 0 CDABRO Cc1cncc([C@@H]2CCC[N@H+](CC3(O)CCOCC3)C2)n1 ZINC000257335524 190036434 /nfs/dbraw/zinc/03/64/34/190036434.db2.gz YKNUTEVTKYJDTK-CQSZACIVSA-N 1 0 291.395 1.506 40 0 CDABRO C[NH+]1CCC(CCO)(NCc2cnn(C(C)(C)C)c2)CC1 ZINC000331198768 376717448 /nfs/dbraw/zinc/71/74/48/376717448.db2.gz VMUJZJFVYIKDII-UHFFFAOYSA-N 1 0 294.443 1.575 40 0 CDABRO CCn1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)n1 ZINC000001458783 377998263 /nfs/dbraw/zinc/99/82/63/377998263.db2.gz ZKZKGXIDAWIAAY-LBPRGKRZSA-N 1 0 262.357 1.132 40 0 CDABRO CC[N@@H+]1CCC[C@](O)(CN(C)Cc2ccc(C)o2)C1 ZINC000041124075 379336472 /nfs/dbraw/zinc/33/64/72/379336472.db2.gz OPZUSJLTPNRDMT-HNNXBMFYSA-N 1 0 266.385 1.867 40 0 CDABRO O=C(Nc1cccc(F)c1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000096268870 256839874 /nfs/dbraw/zinc/83/98/74/256839874.db2.gz UDZFDQSNLBTNOX-UHFFFAOYSA-N 1 0 277.299 1.663 40 0 CDABRO COc1cc(NC[C@@H]2C[C@H]2C[NH3+])cc(OC)c1OC ZINC000096509419 390529676 /nfs/dbraw/zinc/52/96/76/390529676.db2.gz LOFDRLWZYWIXDB-UWVGGRQHSA-N 1 0 266.341 1.719 40 0 CDABRO Cn1nc(C(=O)N2CCC([NH3+])CC2)c2ccccc21 ZINC000096517467 390532698 /nfs/dbraw/zinc/53/26/98/390532698.db2.gz VQTIPQQPUIYYGW-UHFFFAOYSA-N 1 0 258.325 1.137 40 0 CDABRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH2+]CC1 ZINC000096523439 390536356 /nfs/dbraw/zinc/53/63/56/390536356.db2.gz PMBDFTWJJZUYSJ-GFCCVEGCSA-N 1 0 299.415 1.404 40 0 CDABRO C[NH+]1CCN(c2ncccc2[C@H]2CCCCN2C=O)CC1 ZINC000072216615 390622292 /nfs/dbraw/zinc/62/22/92/390622292.db2.gz MBUNPQVJQKXUBH-OAHLLOKOSA-N 1 0 288.395 1.517 40 0 CDABRO CCC(CC)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC000096049032 390912276 /nfs/dbraw/zinc/91/22/76/390912276.db2.gz USIGAOXRBZGRGP-UHFFFAOYSA-N 1 0 254.374 1.404 40 0 CDABRO COCC[N@@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257303606 391649908 /nfs/dbraw/zinc/64/99/08/391649908.db2.gz SHXNCWAKZUEIOK-LBPRGKRZSA-N 1 0 276.340 1.608 40 0 CDABRO CC[NH+](CC)CCNC(=S)NCc1ccccc1 ZINC000006462785 170203057 /nfs/dbraw/zinc/20/30/57/170203057.db2.gz GZEHUNVISFBFEI-UHFFFAOYSA-N 1 0 265.426 1.993 40 0 CDABRO CCOc1c(Cl)cc(C[NH2+]CCO)cc1OC ZINC000008253387 170327131 /nfs/dbraw/zinc/32/71/31/170327131.db2.gz PXPRSQRGQJHBKF-UHFFFAOYSA-N 1 0 259.733 1.829 40 0 CDABRO CCOC(=O)C[C@H]([NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000026896490 171502379 /nfs/dbraw/zinc/50/23/79/171502379.db2.gz GGMFEDHKWJGYGA-MNOVXSKESA-N 1 0 286.372 1.524 40 0 CDABRO Cc1ccc(C)c(CC(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000053142247 175543354 /nfs/dbraw/zinc/54/33/54/175543354.db2.gz ZGMZDWYHSHBBOC-AWEZNQCLSA-N 1 0 260.381 1.962 40 0 CDABRO c1cnc(Nc2nccc([C@H]3CCCC[NH2+]3)n2)cn1 ZINC000072376738 176384974 /nfs/dbraw/zinc/38/49/74/176384974.db2.gz UXKFVDWJWSMSTD-SNVBAGLBSA-N 1 0 256.313 1.825 40 0 CDABRO CCN(Cc1cccc(Br)c1)C(=O)C[NH3+] ZINC000076710923 177067948 /nfs/dbraw/zinc/06/79/48/177067948.db2.gz ACMBFCSTYSONNX-UHFFFAOYSA-N 1 0 271.158 1.756 40 0 CDABRO COCCN1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000078663160 177368009 /nfs/dbraw/zinc/36/80/09/177368009.db2.gz IDDJCIGWEMIYFS-CQSZACIVSA-N 1 0 252.333 1.636 40 0 CDABRO [NH3+]CCO[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390644 177474766 /nfs/dbraw/zinc/47/47/66/177474766.db2.gz HDLNZUVBLAWZQJ-CYBMUJFWSA-N 1 0 264.325 1.373 40 0 CDABRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000195531487 278036835 /nfs/dbraw/zinc/03/68/35/278036835.db2.gz VMDZXINKFCTKOC-WCVJEAGWSA-N 1 0 282.428 1.333 40 0 CDABRO O=C1C[C@]2(CC[NH2+]C2)CN1c1ccc2c(c1)OCCO2 ZINC000306126988 280275364 /nfs/dbraw/zinc/27/53/64/280275364.db2.gz FKYUQBLTWGGOPE-HNNXBMFYSA-N 1 0 274.320 1.174 40 0 CDABRO CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)C[NH3+] ZINC000079390825 289703831 /nfs/dbraw/zinc/70/38/31/289703831.db2.gz WENYUFHTADEKFD-NSHDSACASA-N 1 0 285.388 1.051 40 0 CDABRO Cc1ncc(-c2nccnc2[C@@H]2CCC[NH2+]C2)n1C ZINC000257306569 302688411 /nfs/dbraw/zinc/68/84/11/302688411.db2.gz SUVPBBLFPGVQFK-LLVKDONJSA-N 1 0 257.341 1.653 40 0 CDABRO CCOC(=O)N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000074920954 567903493 /nfs/dbraw/zinc/90/34/93/567903493.db2.gz ZRLGWHDDSQRSIM-UHFFFAOYSA-N 1 0 297.399 1.019 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1coc2ccccc12 ZINC000216976492 1177632879 /nfs/dbraw/zinc/63/28/79/1177632879.db2.gz WNEKBZWFULPOBD-WCQYABFASA-N 1 0 260.293 1.149 40 0 CDABRO CCCC(=O)N1Cc2ccnn2[C@H](C[NH+](CC)CC)C1 ZINC000575404947 342451822 /nfs/dbraw/zinc/45/18/22/342451822.db2.gz FWTXMIQLEZNXNH-CQSZACIVSA-N 1 0 278.400 1.908 40 0 CDABRO C[NH+](C)CCNC(=O)CCCOc1ccccc1 ZINC000010111692 230370751 /nfs/dbraw/zinc/37/07/51/230370751.db2.gz LJOLASYDPTYNKL-UHFFFAOYSA-N 1 0 250.342 1.523 40 0 CDABRO c1cnc(OC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3CC2CC2)nc1 ZINC000096055282 342557649 /nfs/dbraw/zinc/55/76/49/342557649.db2.gz JMZBQEXKEWXMMM-RRFJBIMHSA-N 1 0 289.379 1.745 40 0 CDABRO CC[N@@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000096042836 185070124 /nfs/dbraw/zinc/07/01/24/185070124.db2.gz BLACWVBGXDASPP-IACUBPJLSA-N 1 0 275.352 1.519 40 0 CDABRO O=C([C@H]1CCOC1)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096047368 185072554 /nfs/dbraw/zinc/07/25/54/185072554.db2.gz QGUKOZVYAWHFMH-LBPRGKRZSA-N 1 0 252.358 1.015 40 0 CDABRO CCN1CCN(C)C2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096050038 185073857 /nfs/dbraw/zinc/07/38/57/185073857.db2.gz RHYDMBRFGDRKQL-UHFFFAOYSA-N 1 0 291.395 1.408 40 0 CDABRO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cn1 ZINC000096055743 185076229 /nfs/dbraw/zinc/07/62/29/185076229.db2.gz MKXKHSQQIHKGCQ-LSDHHAIUSA-N 1 0 297.362 1.195 40 0 CDABRO c1cn2c(n1)C[NH2+]C[C@H](COCc1ccccn1)C2 ZINC000096059154 185079089 /nfs/dbraw/zinc/07/90/89/185079089.db2.gz NNCJSRDJVIMQSQ-LBPRGKRZSA-N 1 0 258.325 1.214 40 0 CDABRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CC[N@@H+](C1CCC1)C2 ZINC000096064821 185084239 /nfs/dbraw/zinc/08/42/39/185084239.db2.gz YGVIFSOZHYONCK-GDBMZVCRSA-N 1 0 278.396 1.546 40 0 CDABRO C[C@H]1NC(=O)COC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096070242 185085249 /nfs/dbraw/zinc/08/52/49/185085249.db2.gz JUOWZTLDLKRHAL-GFCCVEGCSA-N 1 0 292.354 1.695 40 0 CDABRO C(OCC1CCOCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000096106069 185098396 /nfs/dbraw/zinc/09/83/96/185098396.db2.gz UWNKWFNEBDYWLI-CQSZACIVSA-N 1 0 269.385 1.588 40 0 CDABRO CC(C)C[N@@H+]1C[C@H]2C[C@@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000248209766 362156704 /nfs/dbraw/zinc/15/67/04/362156704.db2.gz CQTNEZZWMZWGRU-MGPQQGTHSA-N 1 0 266.385 1.258 40 0 CDABRO CNC(=O)[C@@H]1COC[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000097953302 529911105 /nfs/dbraw/zinc/91/11/05/529911105.db2.gz XWGRCHCGKYVMOE-BPLDGKMQSA-N 1 0 292.354 1.266 40 0 CDABRO O[C@H]1COCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000085435997 179062511 /nfs/dbraw/zinc/06/25/11/179062511.db2.gz PJOPXQVYNNKGMS-CQSZACIVSA-N 1 0 258.321 1.428 40 0 biogenic,in-vitro CDABRO O=C1NC[C@H]2C[N@H+](Cc3c[nH]c4ccccc34)CCN12 ZINC000085436138 179063168 /nfs/dbraw/zinc/06/31/68/179063168.db2.gz ZYDIQSCFAGGBMG-LBPRGKRZSA-N 1 0 270.336 1.377 40 0 biogenic,in-vitro CDABRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+](C)C ZINC000013595984 348736640 /nfs/dbraw/zinc/73/66/40/348736640.db2.gz JMOKBMJIHMYJKW-LLVKDONJSA-N 1 0 268.332 1.661 40 0 CDABRO CC(C)NC(=O)C[C@H]1[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]12 ZINC000107253884 186165038 /nfs/dbraw/zinc/16/50/38/186165038.db2.gz QQIAYVZGGXLQPR-QDMKHBRRSA-N 1 0 273.380 1.674 40 0 CDABRO CN(C)C(=O)NC1CC2(C1)CC[N@H+](Cc1ccncc1)C2 ZINC000108524996 186220878 /nfs/dbraw/zinc/22/08/78/186220878.db2.gz RYPLWUYLEKJZCE-UHFFFAOYSA-N 1 0 288.395 1.707 40 0 CDABRO Cc1c2ccccc2c(=O)n(C)c1C(=O)NCC[NH+](C)C ZINC000001607429 355942219 /nfs/dbraw/zinc/94/22/19/355942219.db2.gz BCVKSZPWGBGKRX-UHFFFAOYSA-N 1 0 287.363 1.138 40 0 CDABRO CC[NH+](CC)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000001677224 355946891 /nfs/dbraw/zinc/94/68/91/355946891.db2.gz VXEOMMSMNXSUPA-UHFFFAOYSA-N 1 0 282.365 1.173 40 0 CDABRO C[C@H](Sc1ccccc1)C(=O)NCC[NH+](C)C ZINC000013674670 356352909 /nfs/dbraw/zinc/35/29/09/356352909.db2.gz SWLLBUNTFHOBPV-NSHDSACASA-N 1 0 252.383 1.845 40 0 CDABRO CCOc1cc(C[NH2+]CCN(C)C)ccc1OC ZINC000020083545 356524989 /nfs/dbraw/zinc/52/49/89/356524989.db2.gz KLFFIHPUIXXELE-UHFFFAOYSA-N 1 0 252.358 1.745 40 0 CDABRO Cc1noc(CCC(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC000036748784 356880642 /nfs/dbraw/zinc/88/06/42/356880642.db2.gz NMDLWEWZZJAJOC-UHFFFAOYSA-N 1 0 294.399 1.691 40 0 CDABRO CCN(C[C@@H]1CCC[N@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079408017 356991415 /nfs/dbraw/zinc/99/14/15/356991415.db2.gz PSHSWLUKFFJWGA-CYBMUJFWSA-N 1 0 286.416 1.948 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C[C@H]1COc2ccccc2O1)C1CC1 ZINC000079418817 356995216 /nfs/dbraw/zinc/99/52/16/356995216.db2.gz ZJCHQHDIKKEDEN-JQWIXIFHSA-N 1 0 276.336 1.165 40 0 CDABRO OCC[N@H+](Cc1ccc(Br)nc1)C1CC1 ZINC000079421513 356996438 /nfs/dbraw/zinc/99/64/38/356996438.db2.gz LIJLTLNQSZOHEL-UHFFFAOYSA-N 1 0 271.158 1.801 40 0 CDABRO COc1ccccc1OCC(=O)NC1CC[NH+](C)CC1 ZINC000047829393 357165052 /nfs/dbraw/zinc/16/50/52/357165052.db2.gz VBEYOFXWBRWRDO-UHFFFAOYSA-N 1 0 278.352 1.284 40 0 CDABRO FC(F)(F)c1cc(N2CC[NH2+]CC2)nc(C2CC2)n1 ZINC000096516920 357522347 /nfs/dbraw/zinc/52/23/47/357522347.db2.gz DSLSWDRANHRTBV-UHFFFAOYSA-N 1 0 272.274 1.782 40 0 CDABRO COC[C@H]1Cn2nccc2CN(Cc2nccs2)C1 ZINC000096188889 358715358 /nfs/dbraw/zinc/71/53/58/358715358.db2.gz BJKFICUOLDMVFB-LLVKDONJSA-N 1 0 278.381 1.618 40 0 CDABRO COCCNC(=O)C[C@H]1OC[C@H]2C[N@@H+](C3CCC3)CC[C@@H]12 ZINC000096207977 358720373 /nfs/dbraw/zinc/72/03/73/358720373.db2.gz GZAPCROQNAIYNN-BPLDGKMQSA-N 1 0 296.411 1.029 40 0 CDABRO CN(C)C(=O)C[C@@H]1OC[C@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC000096207324 358720465 /nfs/dbraw/zinc/72/04/65/358720465.db2.gz OHVJPGHYUUGLOV-MCIONIFRSA-N 1 0 266.385 1.212 40 0 CDABRO CN(C)C(=O)[C@]12COC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000096219392 358722413 /nfs/dbraw/zinc/72/24/13/358722413.db2.gz MVOHPEVAYNYCQR-BXUZGUMPSA-N 1 0 280.393 1.285 40 0 CDABRO CN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc[nH]1)C2 ZINC000096229704 358723984 /nfs/dbraw/zinc/72/39/84/358723984.db2.gz CFXFMORMJVPPRP-HNNXBMFYSA-N 1 0 261.369 1.992 40 0 CDABRO CN(C)c1ncnc2c1CC[N@H+](CC1CCOCC1)CC2 ZINC000096255415 358729017 /nfs/dbraw/zinc/72/90/17/358729017.db2.gz CPHMNTUDJRGEAT-UHFFFAOYSA-N 1 0 290.411 1.370 40 0 CDABRO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](CCO)CC2 ZINC000096261135 358729478 /nfs/dbraw/zinc/72/94/78/358729478.db2.gz NMTMIMHWZYLSHX-AWEZNQCLSA-N 1 0 274.364 1.117 40 0 CDABRO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](CCO)CC2)N1 ZINC000096261183 358729497 /nfs/dbraw/zinc/72/94/97/358729497.db2.gz ACWBIKMWEBFJLG-AWEZNQCLSA-N 1 0 274.364 1.117 40 0 CDABRO Brc1ccc(OC[C@H]2C[NH2+]CCO2)cc1 ZINC000011587498 358734501 /nfs/dbraw/zinc/73/45/01/358734501.db2.gz VVZUZDGQSSZNCQ-LLVKDONJSA-N 1 0 272.142 1.816 40 0 CDABRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 ZINC000107205976 359016931 /nfs/dbraw/zinc/01/69/31/359016931.db2.gz SOVPUBRFFRYFHU-GJZGRUSLSA-N 1 0 288.395 1.213 40 0 CDABRO CCC[n+]1cccc(-c2nn3c(C)nnc3s2)c1 ZINC000226774178 360743061 /nfs/dbraw/zinc/74/30/61/360743061.db2.gz OHZACNKROOUHPR-UHFFFAOYSA-N 1 0 260.346 1.859 40 0 CDABRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000019385568 372114699 /nfs/dbraw/zinc/11/46/99/372114699.db2.gz OUYBZAUELOASGF-LLVKDONJSA-N 1 0 262.309 1.287 40 0 CDABRO COC(=O)[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)[NH2+]2 ZINC000265540576 291555678 /nfs/dbraw/zinc/55/56/78/291555678.db2.gz GLTXOTSBWAISRB-RTCCRHLQSA-N 1 0 284.356 1.147 40 0 CDABRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(F)cc1 ZINC000004969094 374350931 /nfs/dbraw/zinc/35/09/31/374350931.db2.gz UCDXSNOVYMPXAM-CYBMUJFWSA-N 1 0 266.316 1.211 40 0 CDABRO CCCn1nc(C)cc1C[NH2+]Cc1cnn(C)c1C ZINC000256053854 190005080 /nfs/dbraw/zinc/00/50/80/190005080.db2.gz TXFXECDRLPFDQA-UHFFFAOYSA-N 1 0 261.373 1.933 40 0 CDABRO CN(C)CC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256053369 190005100 /nfs/dbraw/zinc/00/51/00/190005100.db2.gz RDWMADKUTYXLGW-UHFFFAOYSA-N 1 0 250.268 1.090 40 0 CDABRO CCn1ncc(C)c1C[NH2+]Cc1cnn(CCF)c1 ZINC000256051584 190003574 /nfs/dbraw/zinc/00/35/74/190003574.db2.gz JTGNRIJMHJKQCX-UHFFFAOYSA-N 1 0 265.336 1.667 40 0 CDABRO CCCn1cc(C[NH2+]Cc2cn(C)nc2C)c(C)n1 ZINC000256051098 190003727 /nfs/dbraw/zinc/00/37/27/190003727.db2.gz HRYACMZFYWUTJX-UHFFFAOYSA-N 1 0 261.373 1.933 40 0 CDABRO Cc1cc(-c2cc(C[C@@H]3CCC[NH2+]C3)ncn2)n[nH]1 ZINC000257235341 190017048 /nfs/dbraw/zinc/01/70/48/190017048.db2.gz GXJYDRWNTBUIHP-NSHDSACASA-N 1 0 257.341 1.717 40 0 CDABRO Cc1nccc([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000257241598 190018278 /nfs/dbraw/zinc/01/82/78/190018278.db2.gz HYQNGXQCNHDNNR-CQSZACIVSA-N 1 0 288.395 1.587 40 0 CDABRO O=C(c1cccc(=O)[nH]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257264336 190023237 /nfs/dbraw/zinc/02/32/37/190023237.db2.gz LTYLXQOIYNBSRD-CQSZACIVSA-N 1 0 283.331 1.574 40 0 CDABRO Cc1ccnc(NC(=O)c2cnc([C@@H]3CCC[NH2+]3)cn2)c1 ZINC000257277838 190025239 /nfs/dbraw/zinc/02/52/39/190025239.db2.gz NZRYKCBFZKHWIW-NSHDSACASA-N 1 0 283.335 1.857 40 0 CDABRO CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCC[NH2+]2)n1 ZINC000257274628 190024876 /nfs/dbraw/zinc/02/48/76/190024876.db2.gz NLXYJVHTTCTECM-CYBMUJFWSA-N 1 0 291.399 1.336 40 0 CDABRO CO[C@H]1C[N@H+](Cc2cnn(C)c2C)CC[C@@]12CCCO2 ZINC000257293032 190028654 /nfs/dbraw/zinc/02/86/54/190028654.db2.gz QNWLIKSVAVNDTI-GJZGRUSLSA-N 1 0 279.384 1.498 40 0 CDABRO O[C@@H]1CCCOC12CC[NH+](Cc1ccncc1)CC2 ZINC000257306633 190030969 /nfs/dbraw/zinc/03/09/69/190030969.db2.gz SVCLQJMXHXNWNW-CQSZACIVSA-N 1 0 262.353 1.588 40 0 CDABRO CN(C)C(=O)c1cc(C[C@@H]2CCC[NH2+]CC2)ncn1 ZINC000257321153 190033376 /nfs/dbraw/zinc/03/33/76/190033376.db2.gz WAHOYWXYUIOHEJ-LLVKDONJSA-N 1 0 262.357 1.111 40 0 CDABRO Cc1ccnc([C@H]2CCN(C(=O)C3([NH3+])CCCC3)C2)n1 ZINC000257328328 190034952 /nfs/dbraw/zinc/03/49/52/190034952.db2.gz XFEDIIAMEJJZOE-LBPRGKRZSA-N 1 0 274.368 1.372 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2[nH]cnc2C)cc1 ZINC000257339177 190036877 /nfs/dbraw/zinc/03/68/77/190036877.db2.gz ZAMRHGFSDAVFIE-INIZCTEOSA-N 1 0 286.379 1.873 40 0 CDABRO O=C(CCCn1cccn1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257340853 190037137 /nfs/dbraw/zinc/03/71/37/190037137.db2.gz ZHTNXHJXVTYCJN-HUUCEWRRSA-N 1 0 290.411 1.654 40 0 CDABRO CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)C[NH3+] ZINC000079390853 285083355 /nfs/dbraw/zinc/08/33/55/285083355.db2.gz ZDFZSXKULPUVMT-LLVKDONJSA-N 1 0 285.388 1.193 40 0 CDABRO Cc1noc(CN[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000289322245 197296406 /nfs/dbraw/zinc/29/64/06/197296406.db2.gz CMKVOLZXDOBFJK-ZFWWWQNUSA-N 1 0 272.352 1.913 40 0 CDABRO CCCc1noc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000096530719 390541580 /nfs/dbraw/zinc/54/15/80/390541580.db2.gz UMIAXNFCYUYURZ-SECBINFHSA-N 1 0 262.317 1.205 40 0 CDABRO CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@H]2C[NH3+])cc1 ZINC000218540590 391083989 /nfs/dbraw/zinc/08/39/89/391083989.db2.gz KCNTZBMFYQZVHI-AGIUHOORSA-N 1 0 253.367 1.334 40 0 CDABRO COc1cc([C@H]2CN(C)C[C@H]2[NH3+])cc(OC)c1OC ZINC000242495159 393158877 /nfs/dbraw/zinc/15/88/77/393158877.db2.gz FXPFWVISNUDSLX-GHMZBOCLSA-N 1 0 266.341 1.069 40 0 CDABRO Cc1cc(F)ccc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000073769557 397937666 /nfs/dbraw/zinc/93/76/66/397937666.db2.gz KOGDBVKEXYLYSJ-UHFFFAOYSA-N 1 0 286.372 1.507 40 0 CDABRO CN(C)CC[N@@H+]1CCC[C@@]12CCCN(c1cnccn1)C2 ZINC000096071424 398069507 /nfs/dbraw/zinc/06/95/07/398069507.db2.gz FSZJYMLHFCDXNV-MRXNPFEDSA-N 1 0 289.427 1.473 40 0 CDABRO [NH3+][C@@H]1CN(Cc2cc[nH]n2)C[C@H]1c1ccccc1F ZINC000334859815 150002884 /nfs/dbraw/zinc/00/28/84/150002884.db2.gz LYLSNMSXCVBXSM-GXTWGEPZSA-N 1 0 260.316 1.476 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccncc2)cc1 ZINC000257204825 286363586 /nfs/dbraw/zinc/36/35/86/286363586.db2.gz AWLJOKQFIAQJJC-INIZCTEOSA-N 1 0 297.358 1.877 40 0 CDABRO Cc1ccccc1O[C@@H](C)C(=O)NCC[NH+](C)C ZINC000006208020 170183021 /nfs/dbraw/zinc/18/30/21/170183021.db2.gz MEROEDXNHWJLDP-LBPRGKRZSA-N 1 0 250.342 1.440 40 0 CDABRO CCOc1ccc(C[NH2+]C(C)(C)CO)cc1OC ZINC000008324674 170331525 /nfs/dbraw/zinc/33/15/25/170331525.db2.gz HXAROJPSWKKQEQ-UHFFFAOYSA-N 1 0 253.342 1.954 40 0 CDABRO CCS(=O)(=O)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000020202433 171066693 /nfs/dbraw/zinc/06/66/93/171066693.db2.gz ADKBXAQSEXCPLI-UHFFFAOYSA-N 1 0 288.438 1.652 40 0 CDABRO Cc1cccc(NC(=O)C[NH2+]CCN2CCOCC2)c1C ZINC000035311499 172122223 /nfs/dbraw/zinc/12/22/23/172122223.db2.gz VGUBRWGJARSWDZ-UHFFFAOYSA-N 1 0 291.395 1.164 40 0 CDABRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=S)Nc1ccccc1 ZINC000035333362 172131703 /nfs/dbraw/zinc/13/17/03/172131703.db2.gz NXZQMQODJDGJBC-CHWSQXEVSA-N 1 0 293.436 1.770 40 0 CDABRO CC[C@@H]1CN(Cc2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039951734 174176615 /nfs/dbraw/zinc/17/66/15/174176615.db2.gz NNXHWDBCJCMQOK-CYBMUJFWSA-N 1 0 262.353 1.657 40 0 CDABRO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072355464 176374861 /nfs/dbraw/zinc/37/48/61/176374861.db2.gz JLIAPWSQPCKOQI-LBPRGKRZSA-N 1 0 257.341 1.780 40 0 CDABRO CNc1cncc(C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000072364257 176378844 /nfs/dbraw/zinc/37/88/44/176378844.db2.gz ZSJGFGDSJAXRQG-UHFFFAOYSA-N 1 0 286.383 1.631 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)cc1 ZINC000072397624 176395130 /nfs/dbraw/zinc/39/51/30/176395130.db2.gz YXVJSUXEIQRSPJ-KCPJHIHWSA-N 1 0 264.344 1.465 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2ccccc2n1 ZINC000072397683 176395139 /nfs/dbraw/zinc/39/51/39/176395139.db2.gz QQAMDUOCCFJGNN-XOKHGSTOSA-N 1 0 297.402 1.874 40 0 CDABRO COC(C[NH+]1CCC(c2noc(C3CC3)n2)CC1)OC ZINC000225452754 261188354 /nfs/dbraw/zinc/18/83/54/261188354.db2.gz VKEZEXRSLBGQPC-UHFFFAOYSA-N 1 0 281.356 1.745 40 0 CDABRO CCOc1ccc(CN(C)C[C@@]2(O)CCC[N@H+](C)C2)cc1 ZINC000046087351 423939604 /nfs/dbraw/zinc/93/96/04/423939604.db2.gz HLSNXKOXUGZJHR-QGZVFWFLSA-N 1 0 292.423 1.974 40 0 CDABRO CC[NH+](CC)C[C@@H]1CN(c2ncccn2)Cc2ccnn21 ZINC000306134815 276106730 /nfs/dbraw/zinc/10/67/30/276106730.db2.gz NYQNUOABWBXNBK-CQSZACIVSA-N 1 0 286.383 1.576 40 0 CDABRO C[NH+]1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000048608951 276887989 /nfs/dbraw/zinc/88/79/89/276887989.db2.gz BRJHJMMAIUHKLZ-UHFFFAOYSA-N 1 0 276.336 1.282 40 0 CDABRO COCCN1c2ccccc2C2(CC[NH2+]CC2)C1=O ZINC000306136085 277228314 /nfs/dbraw/zinc/22/83/14/277228314.db2.gz PIRFLZUWXNYHLK-UHFFFAOYSA-N 1 0 260.337 1.301 40 0 CDABRO CC(C)N(Cc1cccc2c1OCCO2)C(=O)[C@H](C)[NH3+] ZINC000079421475 277572684 /nfs/dbraw/zinc/57/26/84/277572684.db2.gz PBRATLMNGMUJSA-NSHDSACASA-N 1 0 278.352 1.542 40 0 CDABRO COc1ncccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N2C)C1 ZINC000096071166 278094929 /nfs/dbraw/zinc/09/49/29/278094929.db2.gz XDVMPORUBNVOPR-MRXNPFEDSA-N 1 0 289.379 1.677 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCO)C1 ZINC000079408067 279299644 /nfs/dbraw/zinc/29/96/44/279299644.db2.gz HWCSAJUPKCFHAC-LBPRGKRZSA-N 1 0 272.389 1.699 40 0 CDABRO CCS(=O)(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC000096055790 280015771 /nfs/dbraw/zinc/01/57/71/280015771.db2.gz NPXUQSIAROKEDY-NWDGAFQWSA-N 1 0 260.403 1.141 40 0 CDABRO C[n+]1cc(Br)cc(-c2nn3cnnc3s2)c1 ZINC000226774012 280181203 /nfs/dbraw/zinc/18/12/03/280181203.db2.gz UJTGGILOCCFFKH-UHFFFAOYSA-N 1 0 297.161 1.440 40 0 CDABRO [NH3+]CCn1ncc2c1ncnc2N1CCCCCC1 ZINC000026421579 295240966 /nfs/dbraw/zinc/24/09/66/295240966.db2.gz DMNNCTHOUPIHJN-UHFFFAOYSA-N 1 0 260.345 1.165 40 0 CDABRO Cc1nnc(C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000257338434 327136329 /nfs/dbraw/zinc/13/63/29/327136329.db2.gz YXJYMIZPLSQURK-STQMWFEESA-N 1 0 265.357 1.861 40 0 CDABRO O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001547139903 974833862 /nfs/dbraw/zinc/83/38/62/974833862.db2.gz GSVVZNYQAGBDOE-XGUBFFRZSA-N 1 0 260.381 1.895 40 0 CDABRO C[NH+](C)C[C@@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@H]12 ZINC000575406706 342451856 /nfs/dbraw/zinc/45/18/56/342451856.db2.gz QQBSQOKMUMGWLL-BPLDGKMQSA-N 1 0 290.363 1.041 40 0 CDABRO C[C@H]([NH3+])c1nc(-c2cc(Br)ccc2O)n[nH]1 ZINC000095534668 185005944 /nfs/dbraw/zinc/00/59/44/185005944.db2.gz VLIWRUBZNZVIEG-YFKPBYRVSA-N 1 0 283.129 1.960 40 0 CDABRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cccc(C)c1)C2 ZINC000096038767 185069462 /nfs/dbraw/zinc/06/94/62/185069462.db2.gz MWTGCIULYGGYJZ-NVXWUHKLSA-N 1 0 288.391 1.722 40 0 CDABRO COCC[N@@H+]1CC[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096046073 185071683 /nfs/dbraw/zinc/07/16/83/185071683.db2.gz HJKBGYFPFYHPCC-YNEHKIRRSA-N 1 0 293.367 1.745 40 0 CDABRO c1cnc(N[C@H]2CO[C@@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096047750 185072438 /nfs/dbraw/zinc/07/24/38/185072438.db2.gz PUMJTAWIVWYEPX-HIFRSBDPSA-N 1 0 274.368 1.532 40 0 CDABRO c1ncc(O[C@H]2C[C@@H]3C[N@H+](CC4CC4)CCN3C2)cn1 ZINC000096055016 185076371 /nfs/dbraw/zinc/07/63/71/185076371.db2.gz GIZHOTULGCNHQK-KGLIPLIRSA-N 1 0 274.368 1.024 40 0 CDABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccsc1 ZINC000096056487 185077841 /nfs/dbraw/zinc/07/78/41/185077841.db2.gz CHTQCOOFLOFXLQ-ZIAGYGMSSA-N 1 0 294.420 1.960 40 0 CDABRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3C)cc1 ZINC000096063942 185084172 /nfs/dbraw/zinc/08/41/72/185084172.db2.gz IUSXSLVLNJEWAP-UONOGXRCSA-N 1 0 296.392 1.162 40 0 CDABRO C[C@@H]1C[NH+](CCCCNC(=O)c2cscn2)C[C@@H](C)O1 ZINC000083026449 178335271 /nfs/dbraw/zinc/33/52/71/178335271.db2.gz FBPYQLNMCGTBDD-VXGBXAGGSA-N 1 0 297.424 1.762 40 0 CDABRO CCOC[C@]12COC[C@H]1C[N@H+](Cc1scnc1C)C2 ZINC000096108673 185099542 /nfs/dbraw/zinc/09/95/42/185099542.db2.gz VGFMCBKHHIXDPR-TZMCWYRMSA-N 1 0 282.409 1.936 40 0 CDABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)o1 ZINC000096110034 185099552 /nfs/dbraw/zinc/09/95/52/185099552.db2.gz OGSNCPBISIFHIJ-IUODEOHRSA-N 1 0 289.335 1.679 40 0 CDABRO Cn1cnc2c1C[C@@H](CO)[N@H+](CCc1ccccc1)C2 ZINC000585094857 342211347 /nfs/dbraw/zinc/21/13/47/342211347.db2.gz QRUWRPSOPXYZEQ-AWEZNQCLSA-N 1 0 271.364 1.382 40 0 CDABRO OC[C@H]1CCn2cncc2CN1Cc1cccnc1 ZINC000585097412 342211581 /nfs/dbraw/zinc/21/15/81/342211581.db2.gz LKPUOOZGLQOLMA-CYBMUJFWSA-N 1 0 258.325 1.045 40 0 CDABRO Cc1ccc(CN2Cc3ccnn3CC[C@H]2CO)o1 ZINC000585096998 342211842 /nfs/dbraw/zinc/21/18/42/342211842.db2.gz GMUIWFQMZXWRCQ-ZDUSSCGKSA-N 1 0 261.325 1.551 40 0 CDABRO c1ncc(C2CC[NH2+]CC2)nc1NC1CCOCC1 ZINC000585177452 342232464 /nfs/dbraw/zinc/23/24/64/342232464.db2.gz BXFVJSAHMJZVDP-UHFFFAOYSA-N 1 0 262.357 1.535 40 0 CDABRO CO[C@H]1CCCN(C(=O)C[NH3+])[C@H]1Cc1ccccc1F ZINC000585274989 342255932 /nfs/dbraw/zinc/25/59/32/342255932.db2.gz SQQYWXCCESIRSX-KBPBESRZSA-N 1 0 280.343 1.333 40 0 CDABRO C[NH+](C)C/C=C/C(=O)N1CC[C@@H]2OC(C)(C)C[C@@H]2C1 ZINC000585289787 342258803 /nfs/dbraw/zinc/25/88/03/342258803.db2.gz NSKIIYIGEWDYFW-PBJSTTKNSA-N 1 0 266.385 1.520 40 0 CDABRO C[N@@H+]1CCC[C@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000257250797 362581164 /nfs/dbraw/zinc/58/11/64/362581164.db2.gz JOAQLSGPYBQTJS-QMMMGPOBSA-N 1 0 285.273 1.952 40 0 CDABRO CCCC12CN3CC(CCC)(C[NH+](C1)CC3)C2=O ZINC000019502084 282630022 /nfs/dbraw/zinc/63/00/22/282630022.db2.gz FEWPWGUBRPZSCO-UHFFFAOYSA-N 1 0 250.386 1.773 40 0 CDABRO [NH3+][C@H](C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)C1CCC1 ZINC000333236620 362962897 /nfs/dbraw/zinc/96/28/97/362962897.db2.gz DCBLETCAWHEMFF-CBBWQLFWSA-N 1 0 256.349 1.568 40 0 CDABRO COc1ccc(OC)c(CN(C(=O)[C@@H](C)[NH3+])C2CC2)c1 ZINC000153543261 188088085 /nfs/dbraw/zinc/08/80/85/188088085.db2.gz CTORGYKMEAVMNV-SNVBAGLBSA-N 1 0 278.352 1.542 40 0 CDABRO FC(F)(F)c1cc(N2CC[C@H]3C[NH2+]C[C@H]32)ncn1 ZINC000096054110 282917922 /nfs/dbraw/zinc/91/79/22/282917922.db2.gz CKTSLNHAUJTYNI-JGVFFNPUSA-N 1 0 258.247 1.294 40 0 CDABRO O=C(C[NH2+]C1CCCCC1)N1CCC2(CC1)OCCO2 ZINC000004969217 363273069 /nfs/dbraw/zinc/27/30/69/363273069.db2.gz GNXVKWOMNPSJJG-UHFFFAOYSA-N 1 0 282.384 1.274 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(F)c1 ZINC000004497862 356032654 /nfs/dbraw/zinc/03/26/54/356032654.db2.gz OFUNOGPCVYCCBD-CYBMUJFWSA-N 1 0 293.342 1.365 40 0 CDABRO Cc1nccn1CC1(O)CC[NH+](Cc2ccncc2)CC1 ZINC000019288014 356479567 /nfs/dbraw/zinc/47/95/67/356479567.db2.gz GTEASFANDWMISG-UHFFFAOYSA-N 1 0 286.379 1.614 40 0 CDABRO Cc1cc2[nH]c(CC(=O)N(C)CC[NH+](C)C)nc2c(C)c1 ZINC000019568364 356491906 /nfs/dbraw/zinc/49/19/06/356491906.db2.gz ORDXGWFKIITFQM-UHFFFAOYSA-N 1 0 288.395 1.742 40 0 CDABRO O=C(CN1CC[NH2+]CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000019797593 356505555 /nfs/dbraw/zinc/50/55/55/356505555.db2.gz ZCOFYZWOQRLVSK-UHFFFAOYSA-N 1 0 288.178 1.837 40 0 CDABRO OCC[NH2+]CCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000032497128 356780718 /nfs/dbraw/zinc/78/07/18/356780718.db2.gz CCAUMYVALXOWEF-UHFFFAOYSA-N 1 0 278.327 1.757 40 0 CDABRO CCN(C[C@H]1CCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408432 356992240 /nfs/dbraw/zinc/99/22/40/356992240.db2.gz OCRNYFXNMCZDSF-LBPRGKRZSA-N 1 0 271.405 1.524 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000079409987 356992654 /nfs/dbraw/zinc/99/26/54/356992654.db2.gz KBFUYBSJGVTIKU-RYUDHWBXSA-N 1 0 299.415 1.343 40 0 CDABRO CN(C[C@@H]1CCCN1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411447 356994101 /nfs/dbraw/zinc/99/41/01/356994101.db2.gz ZPTUJXHLUOJBQR-HNNXBMFYSA-N 1 0 291.395 1.678 40 0 CDABRO C[C@H](C[NH2+]CCN1CCCC1)C(=O)OC(C)(C)C ZINC000047219045 357154282 /nfs/dbraw/zinc/15/42/82/357154282.db2.gz YVSXCKGFZTWVQS-GFCCVEGCSA-N 1 0 256.390 1.650 40 0 CDABRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)[C@@H]3OCCc4ccccc43)C[C@@H]12 ZINC000185137848 357513122 /nfs/dbraw/zinc/51/31/22/357513122.db2.gz BAHQJLDGROLBCA-DMRZNYOFSA-N 1 0 286.375 1.496 40 0 CDABRO C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000067445973 357607738 /nfs/dbraw/zinc/60/77/38/357607738.db2.gz XYFSPKSIKKPHCS-UHFFFAOYSA-N 1 0 262.309 1.696 40 0 CDABRO C[N@@H+]1CCC[C@H](Cc2ccc(N3CCOCC3)nn2)C1 ZINC000072386621 357831716 /nfs/dbraw/zinc/83/17/16/357831716.db2.gz BHXBRLRAOWFXIG-CYBMUJFWSA-N 1 0 276.384 1.198 40 0 CDABRO CCC[n+]1cc(-c2ccccc2)nc(N2CCOCC2)n1 ZINC000000061026 357933899 /nfs/dbraw/zinc/93/38/99/357933899.db2.gz UVVMKIINVSJMSV-UHFFFAOYSA-N 1 0 285.371 1.678 40 0 CDABRO COc1ccc(NC(=O)C2CC[NH2+]CC2)c(OC)c1 ZINC000019408585 358017569 /nfs/dbraw/zinc/01/75/69/358017569.db2.gz BTGLMIGAPRNCGJ-UHFFFAOYSA-N 1 0 264.325 1.642 40 0 CDABRO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000199768922 358093237 /nfs/dbraw/zinc/09/32/37/358093237.db2.gz CPCCORHENBIWIA-SFYZADRCSA-N 1 0 268.279 1.991 40 0 CDABRO C[N@@H+]1CCC[C@H](C(=O)NCCCOC2CCCC2)C1 ZINC000081305824 358122059 /nfs/dbraw/zinc/12/20/59/358122059.db2.gz JWDALPSSJDZFLD-ZDUSSCGKSA-N 1 0 268.401 1.794 40 0 CDABRO CCSC[C@H](C)[N@H+](C)Cc1cc(=O)c(O)co1 ZINC000072903193 358744725 /nfs/dbraw/zinc/74/47/25/358744725.db2.gz VOCFJMGBAAGQSY-VIFPVBQESA-N 1 0 257.355 1.919 40 0 CDABRO C[NH+](C)[C@@H]1CN(Cc2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000096040576 358706524 /nfs/dbraw/zinc/70/65/24/358706524.db2.gz FTVOIFUFRKKWCC-ZNMIVQPWSA-N 1 0 264.369 1.821 40 0 CDABRO Cc1cccc(Cn2c(=O)ccc3c2CC[N@H+](C)CC3)n1 ZINC000096196729 358716558 /nfs/dbraw/zinc/71/65/58/358716558.db2.gz YZJZZIIHCJDMNC-UHFFFAOYSA-N 1 0 283.375 1.630 40 0 CDABRO CCC(CC)C[NH2+]C[C@H]1Cn2nnc(C)c2CO1 ZINC000096199168 358717435 /nfs/dbraw/zinc/71/74/35/358717435.db2.gz PQVRXKIIDAAHMM-LBPRGKRZSA-N 1 0 252.362 1.511 40 0 CDABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccoc3)C2)C1 ZINC000096228872 358723717 /nfs/dbraw/zinc/72/37/17/358723717.db2.gz GHZDRUTXDLXSBT-MRXNPFEDSA-N 1 0 292.379 1.854 40 0 CDABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096228870 358724197 /nfs/dbraw/zinc/72/41/97/358724197.db2.gz DWSHPBBWCOAHES-MRXNPFEDSA-N 1 0 292.379 1.854 40 0 CDABRO C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244280 358724800 /nfs/dbraw/zinc/72/48/00/358724800.db2.gz WROPEUSVOUHQBO-MRXNPFEDSA-N 1 0 282.347 1.642 40 0 CDABRO CC(=O)N(C(C)C)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000242498437 364519375 /nfs/dbraw/zinc/51/93/75/364519375.db2.gz HEENRMXCSKRFHD-KKUMJFAQSA-N 1 0 297.443 1.654 40 0 CDABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218250231 365044935 /nfs/dbraw/zinc/04/49/35/365044935.db2.gz ARXKOCAAFLCZJU-SOUVJXGZSA-N 1 0 297.420 1.487 40 0 CDABRO COC[C@@H](O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831536 366889973 /nfs/dbraw/zinc/88/99/73/366889973.db2.gz ZUSQIOWQKLATDN-KBPBESRZSA-N 1 0 257.374 1.417 40 0 CDABRO COCC[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000049138607 373981815 /nfs/dbraw/zinc/98/18/15/373981815.db2.gz FUYLLMZHANEKLF-UHFFFAOYSA-N 1 0 280.343 1.666 40 0 CDABRO c1cc2n(n1)[C@H](C[NH+]1CCCC1)CN(Cc1ccncc1)C2 ZINC000306129185 374968570 /nfs/dbraw/zinc/96/85/70/374968570.db2.gz HWUUHGJWCAHOET-QGZVFWFLSA-N 1 0 297.406 1.931 40 0 CDABRO CN1CC[NH2+]C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306142475 374972723 /nfs/dbraw/zinc/97/27/23/374972723.db2.gz XAHIKDKYCYLTDP-CQSZACIVSA-N 1 0 285.395 1.511 40 0 CDABRO CC[C@@H](C)n1nccc1C[NH2+]CCCN1CCOCC1 ZINC000256051127 190003918 /nfs/dbraw/zinc/00/39/18/190003918.db2.gz HVKNEPHKSUVMDP-CQSZACIVSA-N 1 0 280.416 1.666 40 0 CDABRO COc1ccc([C@@H](CNC(N)=[NH2+])N2CCCCC2)cc1 ZINC000058064519 375650267 /nfs/dbraw/zinc/65/02/67/375650267.db2.gz IXLZUJSSCIHKKZ-CQSZACIVSA-N 1 0 276.384 1.705 40 0 CDABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)NCc2ccco2)c1 ZINC000257225954 190015319 /nfs/dbraw/zinc/01/53/19/190015319.db2.gz FIOPHGKNFINAID-UHFFFAOYSA-N 1 0 296.330 1.854 40 0 CDABRO Cn1ccnc1-c1cc(C[C@@H]2CCC[NH2+]C2)ncn1 ZINC000257228985 190016112 /nfs/dbraw/zinc/01/61/12/190016112.db2.gz FWCFRQWUIUXRGP-NSHDSACASA-N 1 0 257.341 1.419 40 0 CDABRO Cc1c[nH]c([C@H]2C[N@H+](CC3CCOCC3)CCO2)n1 ZINC000257248471 190020025 /nfs/dbraw/zinc/02/00/25/190020025.db2.gz JDUQLRVLVRGEAP-CYBMUJFWSA-N 1 0 265.357 1.518 40 0 CDABRO CN(C)C(=O)[C@]1(C)CCC[N@H+](Cc2ccncc2)C1 ZINC000257282329 190026486 /nfs/dbraw/zinc/02/64/86/190026486.db2.gz OTHZRAJMPNWNLI-OAHLLOKOSA-N 1 0 261.369 1.772 40 0 CDABRO O=C(C[N@@H+]1CCC[C@H](Cc2cccnc2)C1)N1CCCC1 ZINC000257292987 190028730 /nfs/dbraw/zinc/02/87/30/190028730.db2.gz QNSAHMBUIXDLFP-MRXNPFEDSA-N 1 0 287.407 1.959 40 0 CDABRO CNc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257293649 190028843 /nfs/dbraw/zinc/02/88/43/190028843.db2.gz QQOALPYGMUWFLD-HZPDHXFCSA-N 1 0 299.374 1.747 40 0 CDABRO CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257302958 190030091 /nfs/dbraw/zinc/03/00/91/190030091.db2.gz SFDOBHKCFPPKDQ-HOTGVXAUSA-N 1 0 260.381 1.718 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2c[nH]cn2)cc1 ZINC000257321969 190033777 /nfs/dbraw/zinc/03/37/77/190033777.db2.gz WECDYXDNKUZSFD-OAHLLOKOSA-N 1 0 272.352 1.565 40 0 CDABRO c1ccc([C@H]2C[NH2+]CCN2Cc2cncnc2)cc1 ZINC000257334253 190035930 /nfs/dbraw/zinc/03/59/30/190035930.db2.gz YFEAANBNQCMXGT-OAHLLOKOSA-N 1 0 254.337 1.623 40 0 CDABRO CC(C)[N@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccccc1 ZINC000067897089 377285864 /nfs/dbraw/zinc/28/58/64/377285864.db2.gz OHMCFNISVKVTDR-CABCVRRESA-N 1 0 274.364 1.507 40 0 biogenic,in-vitro CDABRO CN(CCc1ccccn1)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000041124032 379337163 /nfs/dbraw/zinc/33/71/63/379337163.db2.gz VAXJVWGDSHVPHS-OAHLLOKOSA-N 1 0 263.385 1.013 40 0 CDABRO CCN(Cc1cn(CC)nc1C)C[C@H]1CCC[NH2+]1 ZINC000096523689 256732426 /nfs/dbraw/zinc/73/24/26/256732426.db2.gz YQCOXGFFPOGYHZ-CQSZACIVSA-N 1 0 250.390 1.785 40 0 CDABRO Cn1cc(N2C[C@@H]3C[N@H+](Cc4ccoc4)C[C@@H]3C2=O)cn1 ZINC000096245238 256832067 /nfs/dbraw/zinc/83/20/67/256832067.db2.gz BBBRWJKFARNJKE-JSGCOSHPSA-N 1 0 286.335 1.108 40 0 CDABRO CCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1Nc1ccccc1 ZINC000055112095 390488720 /nfs/dbraw/zinc/48/87/20/390488720.db2.gz YTYFYSXDNUDVKJ-KBPBESRZSA-N 1 0 282.409 1.654 40 0 CDABRO Cn1c(=O)c2c(nc1-c1ccc(F)cc1)CC[NH2+]C2 ZINC000096516476 390534743 /nfs/dbraw/zinc/53/47/43/390534743.db2.gz PIBTXAFTJCKJBP-UHFFFAOYSA-N 1 0 259.284 1.232 40 0 CDABRO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC000096043344 390912109 /nfs/dbraw/zinc/91/21/09/390912109.db2.gz KGBCWRFZCUZIEQ-OWCLPIDISA-N 1 0 292.423 1.792 40 0 CDABRO O=C(NCc1ccc(Cl)cc1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC000096157287 390913250 /nfs/dbraw/zinc/91/32/50/390913250.db2.gz WHKLMXALRYWAMO-AWEZNQCLSA-N 1 0 293.754 1.465 40 0 CDABRO O=C1C[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc(F)c1 ZINC000096157203 390913260 /nfs/dbraw/zinc/91/32/60/390913260.db2.gz YQPKPXVGHZGHNR-HNNXBMFYSA-N 1 0 276.311 1.454 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@H]1C[NH3+] ZINC000218553735 391091833 /nfs/dbraw/zinc/09/18/33/391091833.db2.gz PWSMPRDFWBEELT-GRYCIOLGSA-N 1 0 273.785 1.815 40 0 CDABRO COC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CC2 ZINC000238323829 391678713 /nfs/dbraw/zinc/67/87/13/391678713.db2.gz XNWFUTXQCYIPOV-QMTHXVAHSA-N 1 0 284.356 1.149 40 0 CDABRO Cc1cccc2c1cnn2CCC(=O)NCC[NH+](C)C ZINC000040769007 391985014 /nfs/dbraw/zinc/98/50/14/391985014.db2.gz QLVKDAKIOYXNJJ-UHFFFAOYSA-N 1 0 274.368 1.413 40 0 CDABRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)CN1CCC(C)CC1 ZINC000195530868 392101835 /nfs/dbraw/zinc/10/18/35/392101835.db2.gz VOJUROBBYILNPW-GVDBMIGSSA-N 1 0 298.471 1.705 40 0 CDABRO CC[C@H]1C[N@H+](CC2(O)CCSCC2)CCCO1 ZINC000660468577 413149785 /nfs/dbraw/zinc/14/97/85/413149785.db2.gz KGGNNGAHMDKBRF-LBPRGKRZSA-N 1 0 259.415 1.745 40 0 CDABRO O=C(NCc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000002527204 169802829 /nfs/dbraw/zinc/80/28/29/169802829.db2.gz GGXRRCUFJAQOAF-UHFFFAOYSA-N 1 0 252.745 1.956 40 0 CDABRO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1C(=O)OC2 ZINC000003649841 169905760 /nfs/dbraw/zinc/90/57/60/169905760.db2.gz NFXPPCYKSAAUMQ-NSHDSACASA-N 1 0 279.336 1.485 40 0 in-man CDABRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCC(N)=O ZINC000005817170 170142981 /nfs/dbraw/zinc/14/29/81/170142981.db2.gz ZSOXMTHHSZOHFX-UHFFFAOYSA-N 1 0 266.341 1.447 40 0 CDABRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCCC1 ZINC000006423019 170200073 /nfs/dbraw/zinc/20/00/73/170200073.db2.gz MGSFDURHEMGIML-OAHLLOKOSA-N 1 0 273.380 1.916 40 0 CDABRO COc1ccc(NC(=S)NCC[NH+](C)C)cc1OC ZINC000006948511 170258596 /nfs/dbraw/zinc/25/85/96/170258596.db2.gz PRSRTLDBKFGIFH-UHFFFAOYSA-N 1 0 283.397 1.552 40 0 CDABRO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1 ZINC000037540656 173262210 /nfs/dbraw/zinc/26/22/10/173262210.db2.gz FBNLUHMLHBJALB-LLVKDONJSA-N 1 0 272.345 1.198 40 0 CDABRO Brc1ccccc1OC[C@H]1C[NH2+]CCO1 ZINC000070834106 176007790 /nfs/dbraw/zinc/00/77/90/176007790.db2.gz MLGKZTMZXSWHGS-SECBINFHSA-N 1 0 272.142 1.816 40 0 CDABRO CSc1nc(Cl)cc(OC[C@@H]2CCC[NH2+]2)n1 ZINC000072203811 176342045 /nfs/dbraw/zinc/34/20/45/176342045.db2.gz GOCPKKYOHIPEOX-ZETCQYMHSA-N 1 0 259.762 1.983 40 0 CDABRO CCc1nc2c(C)nn(CC)c2c(NCC[NH+](C)C)n1 ZINC000072264819 176351881 /nfs/dbraw/zinc/35/18/81/176351881.db2.gz XPTUTSBZBNYTRW-UHFFFAOYSA-N 1 0 276.388 1.691 40 0 CDABRO CNC(=O)[C@]1(CCCc2cccnc2)CCCC[NH2+]1 ZINC000072344205 176372720 /nfs/dbraw/zinc/37/27/20/176372720.db2.gz PPMVJPGVCWOEIS-OAHLLOKOSA-N 1 0 261.369 1.663 40 0 CDABRO Cn1ccnc1CNC(=O)c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072365712 176381187 /nfs/dbraw/zinc/38/11/87/176381187.db2.gz KCVWOKVMDIYQMN-LBPRGKRZSA-N 1 0 299.378 1.212 40 0 CDABRO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)o1 ZINC000072397628 176394932 /nfs/dbraw/zinc/39/49/32/176394932.db2.gz LCVHXNSVPJGZNT-KGYLQXTDSA-N 1 0 250.342 1.227 40 0 CDABRO CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)NC(N)=O ZINC000077364604 177257973 /nfs/dbraw/zinc/25/79/73/177257973.db2.gz CMZZTMBVFUOBBT-NSHDSACASA-N 1 0 255.362 1.472 40 0 CDABRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(C)n1 ZINC000078499308 177347786 /nfs/dbraw/zinc/34/77/86/177347786.db2.gz NYUAANDMCCVBGP-AWEZNQCLSA-N 1 0 261.369 1.881 40 0 CDABRO COCCOc1ccc(C[NH2+][C@H]2CCC(=O)NC2)cc1 ZINC000078656921 177367425 /nfs/dbraw/zinc/36/74/25/177367425.db2.gz XSFSZNIRROPMRU-ZDUSSCGKSA-N 1 0 278.352 1.080 40 0 CDABRO CC(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079418141 177485984 /nfs/dbraw/zinc/48/59/84/177485984.db2.gz HMORCFYIDHFFMX-ZNMIVQPWSA-N 1 0 295.427 1.408 40 0 CDABRO O=C(NCC1CC[NH2+]CC1)c1cccnc1Cl ZINC000079439192 177490895 /nfs/dbraw/zinc/49/08/95/177490895.db2.gz RVQQHXDHDSYVHK-UHFFFAOYSA-N 1 0 253.733 1.464 40 0 CDABRO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[NH2+]C[C@@H]21 ZINC000306124944 275032700 /nfs/dbraw/zinc/03/27/00/275032700.db2.gz CCTOPIBNKMBDMB-HIFRSBDPSA-N 1 0 286.356 1.591 40 0 CDABRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]C(C)C ZINC000001469943 278018834 /nfs/dbraw/zinc/01/88/34/278018834.db2.gz MMVIGWXRBSTWKL-NSHDSACASA-N 1 0 269.341 1.442 40 0 CDABRO CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)C[NH3+] ZINC000079390817 289735824 /nfs/dbraw/zinc/73/58/24/289735824.db2.gz BQCWSQLPNMBZTC-LLVKDONJSA-N 1 0 285.388 1.193 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccncc2)cc1 ZINC000257204826 295250347 /nfs/dbraw/zinc/25/03/47/295250347.db2.gz AWLJOKQFIAQJJC-MRXNPFEDSA-N 1 0 297.358 1.877 40 0 CDABRO Cc1n[nH]c(C)c1-c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000257224745 302477056 /nfs/dbraw/zinc/47/70/56/302477056.db2.gz FDEFRGPTCYJOCR-LLVKDONJSA-N 1 0 257.341 1.951 40 0 CDABRO C[NH+](C)[C@@H]1COC[C@@H]1Oc1ncccc1C(F)(F)F ZINC000585655244 1160096220 /nfs/dbraw/zinc/09/62/20/1160096220.db2.gz YNUVPMRUSIGQQU-ZJUUUORDSA-N 1 0 276.258 1.808 40 0 CDABRO C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C[C@H]1n1ccnc1 ZINC000247354605 524522913 /nfs/dbraw/zinc/52/29/13/524522913.db2.gz HDCYVZHEHHPOQK-BMFZPTHFSA-N 1 0 298.390 1.993 40 0 CDABRO Cc1cc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cs1 ZINC000932831070 617370664 /nfs/dbraw/zinc/37/06/64/617370664.db2.gz MKHREMPPMUUKPX-ZDUSSCGKSA-N 1 0 294.420 1.520 40 0 CDABRO CN(C)c1ccc(F)cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000873334677 846833288 /nfs/dbraw/zinc/83/32/88/846833288.db2.gz CVLMRJAQHZESJV-CQSZACIVSA-N 1 0 280.347 1.765 40 0 CDABRO CC[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1OC)c1ccc(OC)cc1 ZINC001548448181 967500241 /nfs/dbraw/zinc/50/02/41/967500241.db2.gz SCBATRITYQFNPX-RRFJBIMHSA-N 1 0 292.379 1.292 40 0 CDABRO Cc1nnc([C@H]2C[C@@H]3CC[N@H+](CC4CC4)C[C@H]3O2)[nH]1 ZINC000096046227 185071550 /nfs/dbraw/zinc/07/15/50/185071550.db2.gz UOJTYZQFMWSCIG-YNEHKIRRSA-N 1 0 262.357 1.675 40 0 CDABRO CCN1CC(=O)NC[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096050496 185073729 /nfs/dbraw/zinc/07/37/29/185073729.db2.gz GPNUFMCRUJBHIQ-AWEZNQCLSA-N 1 0 279.409 1.144 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)cn1 ZINC000096049935 185073871 /nfs/dbraw/zinc/07/38/71/185073871.db2.gz XNGSTYWOWPDLJA-CQSZACIVSA-N 1 0 262.357 1.055 40 0 CDABRO COCC(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC000096062001 185082386 /nfs/dbraw/zinc/08/23/86/185082386.db2.gz DMNVKMAQEWZQSV-LBPRGKRZSA-N 1 0 294.399 1.273 40 0 CDABRO c1ccc(-c2nnn3c2CO[C@@H](C[NH2+]CC2CC2)C3)cc1 ZINC000096061094 185083335 /nfs/dbraw/zinc/08/33/35/185083335.db2.gz OCIIJKFDHQZXQM-AWEZNQCLSA-N 1 0 284.363 1.844 40 0 CDABRO C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000019582060 282118854 /nfs/dbraw/zinc/11/88/54/282118854.db2.gz MOVDLILFCCQQMD-CBBWQLFWSA-N 1 0 262.397 1.999 40 0 CDABRO CCCCC[N@H+]1C[C@H]2CN(C(=O)CCC(=O)OC)C[C@H]2C1 ZINC000096080934 185090677 /nfs/dbraw/zinc/09/06/77/185090677.db2.gz YLIGBGOIVQTRPB-OKILXGFUSA-N 1 0 296.411 1.520 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000096107930 185099902 /nfs/dbraw/zinc/09/99/02/185099902.db2.gz DWTGZJPBMGLRFK-SMDDNHRTSA-N 1 0 296.317 1.367 40 0 CDABRO CC[C@@H](C)N1C[C@@]2(CCCN(Cc3nccn3C)C2)C1=O ZINC000585099357 342212120 /nfs/dbraw/zinc/21/21/20/342212120.db2.gz HMFNBGVAGBXIIB-CJNGLKHVSA-N 1 0 290.411 1.643 40 0 CDABRO CC(C)[N@H+]1Cc2ncn(C)c2[C@H](C(=O)NCC2CCC2)C1 ZINC000248063310 362148567 /nfs/dbraw/zinc/14/85/67/362148567.db2.gz VHFNGSWRUVBBAZ-CYBMUJFWSA-N 1 0 290.411 1.644 40 0 CDABRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cccnc2C)C1 ZINC000623743283 345452379 /nfs/dbraw/zinc/45/23/79/345452379.db2.gz OLBQYWDGSMBIID-SMDDNHRTSA-N 1 0 276.384 1.529 40 0 CDABRO Cc1ccc(C[N@H+]2C[C@H]3CN(C(N)=O)C[C@H]3C2)cc1 ZINC000107196376 186162213 /nfs/dbraw/zinc/16/22/13/186162213.db2.gz YMRBINYWZSCWCU-OKILXGFUSA-N 1 0 259.353 1.437 40 0 CDABRO Cc1nc(COC[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)cs1 ZINC000107493677 186176927 /nfs/dbraw/zinc/17/69/27/186176927.db2.gz LSPVDZHJZBUIBA-JHJVBQTASA-N 1 0 268.382 1.878 40 0 CDABRO COCCCNC(=S)N1CCN(Cc2ccco2)CC1 ZINC000004216701 363211629 /nfs/dbraw/zinc/21/16/29/363211629.db2.gz HKZZMSXJDSGSBF-UHFFFAOYSA-N 1 0 297.424 1.308 40 0 CDABRO CCOC(=O)c1ccc(N(CCC(=O)C[NH3+])C(C)=O)cc1 ZINC000001699611 355948084 /nfs/dbraw/zinc/94/80/84/355948084.db2.gz QSYYDQFPLVSASP-UHFFFAOYSA-N 1 0 292.335 1.134 40 0 CDABRO Cc1nn(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)c(C)c1C ZINC000019556635 356491151 /nfs/dbraw/zinc/49/11/51/356491151.db2.gz CAOJHVDZUKBXBZ-LBPRGKRZSA-N 1 0 292.427 1.799 40 0 CDABRO CSCC[C@@H]([NH3+])c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019573939 356492591 /nfs/dbraw/zinc/49/25/91/356492591.db2.gz YRSJSLQNZROEJX-SNVBAGLBSA-N 1 0 276.365 1.585 40 0 CDABRO Cc1nc([C@@H]2CC[N@H+](Cc3cccnc3)C2)ncc1C(N)=O ZINC000019759119 356499893 /nfs/dbraw/zinc/49/98/93/356499893.db2.gz RTNYELRJKUAZNL-CYBMUJFWSA-N 1 0 297.362 1.268 40 0 CDABRO c1cnc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)nc1 ZINC000023282666 356638721 /nfs/dbraw/zinc/63/87/21/356638721.db2.gz OCUXVCQBAWIADX-MJBXVCDLSA-N 1 0 258.369 1.787 40 0 CDABRO CN(C(=O)c1cccs1)C(=S)N1CCN(C)CC1 ZINC000031852176 356770740 /nfs/dbraw/zinc/77/07/40/356770740.db2.gz UFMOXFXWZUWZBD-UHFFFAOYSA-N 1 0 283.422 1.352 40 0 CDABRO C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079416035 356995318 /nfs/dbraw/zinc/99/53/18/356995318.db2.gz OTXLUJPDRDTOLU-HNNXBMFYSA-N 1 0 276.380 1.915 40 0 CDABRO Cc1cc(C[NH2+]C[C@@H]2Cn3nnc(C)c3CO2)oc1C ZINC000096199165 358717058 /nfs/dbraw/zinc/71/70/58/358717058.db2.gz VELXINFBMLFLHW-CYBMUJFWSA-N 1 0 276.340 1.485 40 0 CDABRO O=C(NC[C@H]1CCC[C@]2(CC[NH2+]C2)O1)c1cccnc1 ZINC000096207243 358720410 /nfs/dbraw/zinc/72/04/10/358720410.db2.gz VNIPXEAOVKSVBV-UKRRQHHQSA-N 1 0 275.352 1.113 40 0 CDABRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH2+]CC2 ZINC000096240374 358724949 /nfs/dbraw/zinc/72/49/49/358724949.db2.gz WGRLDUCFXPMCKP-GFCCVEGCSA-N 1 0 262.357 1.072 40 0 CDABRO CCN1C(=O)C[C@H](c2ccncc2)C12CC[NH2+]CC2 ZINC000096261240 358729570 /nfs/dbraw/zinc/72/95/70/358729570.db2.gz QMFIVPMMZGWFPH-CYBMUJFWSA-N 1 0 259.353 1.540 40 0 CDABRO Cn1c(CCNc2ncnc3n[nH]cc32)nc2ccccc21 ZINC000041121163 359684120 /nfs/dbraw/zinc/68/41/20/359684120.db2.gz GHUUNZHTFFBXHB-UHFFFAOYSA-N 1 0 293.334 1.894 40 0 CDABRO [NH3+]C[C@H]1CN(c2ccc(Br)cn2)CCO1 ZINC000041059077 283523460 /nfs/dbraw/zinc/52/34/60/283523460.db2.gz OFTHIGDLPZDMBY-VIFPVBQESA-N 1 0 272.146 1.008 40 0 CDABRO Cn1ccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)n1 ZINC000257674048 140337952 /nfs/dbraw/zinc/33/79/52/140337952.db2.gz HSYSOGKYLNGKGS-LLVKDONJSA-N 1 0 250.346 1.656 40 0 CDABRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000305212689 364891023 /nfs/dbraw/zinc/89/10/23/364891023.db2.gz HMOSRHFGTRUENM-XJKSGUPXSA-N 1 0 294.395 1.078 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218468465 372828896 /nfs/dbraw/zinc/82/88/96/372828896.db2.gz KVMCSSHMWXSLEN-HBNTYKKESA-N 1 0 259.758 1.568 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C ZINC000004476507 374316677 /nfs/dbraw/zinc/31/66/77/374316677.db2.gz NTXDKFXUCDASQF-ZDUSSCGKSA-N 1 0 289.379 1.534 40 0 CDABRO Nc1cncnc1[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000306128438 374968483 /nfs/dbraw/zinc/96/84/83/374968483.db2.gz HAJOGZNEFHADMT-AWEZNQCLSA-N 1 0 270.336 1.632 40 0 CDABRO Cc1nn(C)cc1C[NH2+]Cc1ccnn1CCF ZINC000256054008 190004736 /nfs/dbraw/zinc/00/47/36/190004736.db2.gz UPGJPWKLFUXIMZ-UHFFFAOYSA-N 1 0 251.309 1.184 40 0 CDABRO Cc1c(C[NH2+]Cc2ccnn2CC(F)(F)F)cnn1C ZINC000256051714 190003599 /nfs/dbraw/zinc/00/35/99/190003599.db2.gz KHNWJZZCBZLSHI-UHFFFAOYSA-N 1 0 287.289 1.777 40 0 CDABRO O=C(Nc1cnccn1)c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000257197913 190010080 /nfs/dbraw/zinc/01/00/80/190010080.db2.gz NCJAYDRFZGHETR-JTQLQIEISA-N 1 0 269.308 1.548 40 0 CDABRO Cc1nccc([C@@H]2CCCN(C(=O)C3([NH3+])CCCC3)C2)n1 ZINC000257219545 190014139 /nfs/dbraw/zinc/01/41/39/190014139.db2.gz DHEXJSCBJIDENT-CYBMUJFWSA-N 1 0 288.395 1.763 40 0 CDABRO CCn1nc(C(=O)N2CC[C@H]3[NH2+]CCCC[C@H]3C2)cc1C ZINC000257220576 190014608 /nfs/dbraw/zinc/01/46/08/190014608.db2.gz DLGOYBQTWSBXIX-UONOGXRCSA-N 1 0 290.411 1.816 40 0 CDABRO CCn1nccc1-c1cnc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000257239098 190017924 /nfs/dbraw/zinc/01/79/24/190017924.db2.gz HNYBUBFVEPJKAE-GFCCVEGCSA-N 1 0 271.368 1.902 40 0 CDABRO Cn1ccnc1-c1cnc(C2CC[NH+](CCO)CC2)cn1 ZINC000257243302 190018253 /nfs/dbraw/zinc/01/82/53/190018253.db2.gz IGHNBWJVSDFEKI-UHFFFAOYSA-N 1 0 287.367 1.049 40 0 CDABRO c1nc2ncccn2c1-c1ccc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000257249591 190020351 /nfs/dbraw/zinc/02/03/51/190020351.db2.gz JIZQGSYJXFFXDH-NSHDSACASA-N 1 0 280.335 1.338 40 0 CDABRO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH2+]C(C)(C)CO)c1 ZINC000026780647 376319491 /nfs/dbraw/zinc/31/94/91/376319491.db2.gz QHBYYEICFVIXJN-AWEZNQCLSA-N 1 0 281.396 1.712 40 0 CDABRO COCC[NH2+]CCNC(=O)c1cc(F)ccc1C ZINC000152457625 376880276 /nfs/dbraw/zinc/88/02/76/376880276.db2.gz XJIYCMCRDABRBF-UHFFFAOYSA-N 1 0 254.305 1.100 40 0 CDABRO CC(C)Cc1cc(CC2([NH2+]C3CCOCC3)COC2)no1 ZINC000067898228 377286609 /nfs/dbraw/zinc/28/66/09/377286609.db2.gz LFEKIOXWLSVZAU-UHFFFAOYSA-N 1 0 294.395 1.953 40 0 biogenic,in-vitro CDABRO Cc1noc(CN[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000289322239 197296308 /nfs/dbraw/zinc/29/63/08/197296308.db2.gz CMKVOLZXDOBFJK-DZGCQCFKSA-N 1 0 272.352 1.913 40 0 CDABRO CCOC(=O)[C@@H](C[NH3+])C1(N2CCOCC2)CCCCC1 ZINC000072210454 390618129 /nfs/dbraw/zinc/61/81/29/390618129.db2.gz YQBNSPSAINKCNI-CYBMUJFWSA-N 1 0 284.400 1.160 40 0 CDABRO [NH3+]CCC(=O)NCc1nc(-c2c(F)cccc2Cl)no1 ZINC000072220484 390622057 /nfs/dbraw/zinc/62/20/57/390622057.db2.gz MBGPYWVEXSUJBL-UHFFFAOYSA-N 1 0 298.705 1.494 40 0 CDABRO O=C1C[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccccc1Cl ZINC000096157208 390913289 /nfs/dbraw/zinc/91/32/89/390913289.db2.gz DBYVOQDPXWHDNA-OAHLLOKOSA-N 1 0 292.766 1.969 40 0 CDABRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1 ZINC000037573110 391573380 /nfs/dbraw/zinc/57/33/80/391573380.db2.gz BBEMMVIJNMWHFH-UHFFFAOYSA-N 1 0 254.355 1.189 40 0 CDABRO O=C([O-])COc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000062716814 392802485 /nfs/dbraw/zinc/80/24/85/392802485.db2.gz LEDPABJNTOYNFK-UHFFFAOYSA-N 1 0 278.352 1.239 40 0 CDABRO CC[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000004969104 170047109 /nfs/dbraw/zinc/04/71/09/170047109.db2.gz DQBYUQAIMHCDPL-OLZOCXBDSA-N 1 0 254.374 1.546 40 0 CDABRO Cc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1Cl ZINC000005251453 170080201 /nfs/dbraw/zinc/08/02/01/170080201.db2.gz ZAWBQKIWVZZKTK-UHFFFAOYSA-N 1 0 283.759 1.265 40 0 CDABRO CCOC(=O)CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000044288507 175159725 /nfs/dbraw/zinc/15/97/25/175159725.db2.gz LTDDEMUKVUCGEC-UHFFFAOYSA-N 1 0 251.282 1.458 40 0 CDABRO CCn1nc(C)c(CCC(=O)NCCC[NH+](C)C)c1C ZINC000072240482 176348335 /nfs/dbraw/zinc/34/83/35/176348335.db2.gz CDXPPDSDJBLPRZ-UHFFFAOYSA-N 1 0 280.416 1.520 40 0 CDABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2CCO)n1 ZINC000072355526 176375132 /nfs/dbraw/zinc/37/51/32/176375132.db2.gz COXASHUOGSTTTM-AWEZNQCLSA-N 1 0 272.352 1.705 40 0 CDABRO COCCNC(=O)CCc1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072360556 176377079 /nfs/dbraw/zinc/37/70/79/176377079.db2.gz DEWQURJDDMYYPT-HNNXBMFYSA-N 1 0 291.395 1.544 40 0 CDABRO OCC[N@@H+]1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072383046 176388096 /nfs/dbraw/zinc/38/80/96/176388096.db2.gz KCRZOXYDBWSMNN-ZDUSSCGKSA-N 1 0 299.378 1.787 40 0 CDABRO C[N@@H+]1CC[C@H](C(=O)Nc2cccc(Cn3cccn3)c2)C1 ZINC000072392094 176393802 /nfs/dbraw/zinc/39/38/02/176393802.db2.gz OGZKCFNQQBAPOJ-AWEZNQCLSA-N 1 0 284.363 1.822 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(F)cc1F ZINC000072397601 176394676 /nfs/dbraw/zinc/39/46/76/176394676.db2.gz VJVHQBVGMRIQIJ-LEWSCRJBSA-N 1 0 282.334 1.604 40 0 CDABRO O=C(NCc1ccc(Cl)cc1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC000096157286 260563589 /nfs/dbraw/zinc/56/35/89/260563589.db2.gz WHKLMXALRYWAMO-CQSZACIVSA-N 1 0 293.754 1.465 40 0 CDABRO COC[C@@H](O)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000071269713 274045644 /nfs/dbraw/zinc/04/56/44/274045644.db2.gz COOAHGPBGVYKLJ-MNOVXSKESA-N 1 0 263.341 1.231 40 0 CDABRO Cc1nc([C@H]2CC[NH2+]C2)nc2c1CCC(=O)N2CC(C)C ZINC000072345727 274845766 /nfs/dbraw/zinc/84/57/66/274845766.db2.gz GAGPMLTYWUWYML-LBPRGKRZSA-N 1 0 288.395 1.797 40 0 CDABRO CC[NH+](CC)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000004748461 276098213 /nfs/dbraw/zinc/09/82/13/276098213.db2.gz IDUJFPXENVIRDQ-RNJOBUHISA-N 1 0 262.353 1.135 40 0 CDABRO Cc1ncc(-c2nccnc2[C@H]2CCC[NH2+]C2)n1C ZINC000257306570 279147643 /nfs/dbraw/zinc/14/76/43/279147643.db2.gz SUVPBBLFPGVQFK-NSHDSACASA-N 1 0 257.341 1.653 40 0 CDABRO CCNc1ncc(C[NH2+]CCOc2ccccn2)cn1 ZINC000062717582 327914907 /nfs/dbraw/zinc/91/49/07/327914907.db2.gz VDMRXZRONKOLLD-UHFFFAOYSA-N 1 0 273.340 1.472 40 0 CDABRO O=[N+]([O-])c1cc2c(cc1CNCC[NH+]1CCCC1)OCO2 ZINC000061030851 1167384659 /nfs/dbraw/zinc/38/46/59/1167384659.db2.gz RSNXJBMMFWCYJR-UHFFFAOYSA-N 1 0 293.323 1.509 40 0 CDABRO Cc1cncc(C(=O)N2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)c1 ZINC000575404848 342451751 /nfs/dbraw/zinc/45/17/51/342451751.db2.gz DUYBXDGVDLVMEU-RBSFLKMASA-N 1 0 289.379 1.039 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2ccncc2F)[C@@H]2CCCO[C@H]12 ZINC000097954368 230388738 /nfs/dbraw/zinc/38/87/38/230388738.db2.gz PRYXZQRRKILORC-MCIONIFRSA-N 1 0 293.342 1.154 40 0 CDABRO Fc1ccc(Cn2cnnc2[C@H]2CCC[NH2+]C2)cc1 ZINC000082569464 178103735 /nfs/dbraw/zinc/10/37/35/178103735.db2.gz OJJZNNNUQUWEER-LBPRGKRZSA-N 1 0 260.316 1.933 40 0 CDABRO CC(C)NC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096038671 185069682 /nfs/dbraw/zinc/06/96/82/185069682.db2.gz OTMOULVVXJTKGW-GDBMZVCRSA-N 1 0 292.379 1.785 40 0 CDABRO Cc1nc(COC[C@@H]2C[NH2+]Cc3ncn(C)c32)cs1 ZINC000096045036 185071574 /nfs/dbraw/zinc/07/15/74/185071574.db2.gz SHSWROMNAXNXKD-JTQLQIEISA-N 1 0 278.381 1.589 40 0 CDABRO CNC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccco2)C1 ZINC000096057643 185077249 /nfs/dbraw/zinc/07/72/49/185077249.db2.gz FLUIUXOYFFBYNC-CYZMBNFOSA-N 1 0 264.325 1.005 40 0 CDABRO Cn1cc(C[C@H]2[C@H](O)CC[N@@H+]2Cc2ccoc2)cn1 ZINC000096061612 185082473 /nfs/dbraw/zinc/08/24/73/185082473.db2.gz SXCSTYATROYLEE-UONOGXRCSA-N 1 0 261.325 1.191 40 0 CDABRO C=CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096063646 185084242 /nfs/dbraw/zinc/08/42/42/185084242.db2.gz RTQLMTHPSBNXLX-OKILXGFUSA-N 1 0 257.337 1.158 40 0 CDABRO Cc1cccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1 ZINC000585103742 342212484 /nfs/dbraw/zinc/21/24/84/342212484.db2.gz FRRIFZSIHZZOKI-QGZVFWFLSA-N 1 0 288.391 1.676 40 0 CDABRO Cc1ccccc1C[N@H+]1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC000585104381 342212954 /nfs/dbraw/zinc/21/29/54/342212954.db2.gz LNPXPFJIIOKYOC-KRWDZBQOSA-N 1 0 288.391 1.676 40 0 CDABRO Cc1n[nH]cc1-c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000585180215 342232587 /nfs/dbraw/zinc/23/25/87/342232587.db2.gz FZARQOQNABVXTP-NSHDSACASA-N 1 0 257.341 1.984 40 0 CDABRO Cc1nc(-c2nccn2C)cc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000585178843 342232710 /nfs/dbraw/zinc/23/27/10/342232710.db2.gz OAGPRNUHIACEME-GFCCVEGCSA-N 1 0 271.368 1.995 40 0 CDABRO COC[C@@]1(CC(N)=O)CCC[N@@H+]1Cc1ccccc1F ZINC000585275249 342256088 /nfs/dbraw/zinc/25/60/88/342256088.db2.gz BBKQCCGVJZUCJX-HNNXBMFYSA-N 1 0 280.343 1.682 40 0 CDABRO O[C@@H]1COC[C@@H](C[NH2+]Cc2ccc3ccccc3c2)[C@@H]1O ZINC000585286997 342258675 /nfs/dbraw/zinc/25/86/75/342258675.db2.gz QIZSDYZVXSGHLK-ZACQAIPSSA-N 1 0 287.359 1.298 40 0 CDABRO Cc1ncnc2c1CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096058590 282225327 /nfs/dbraw/zinc/22/53/27/282225327.db2.gz CCPOGFYQIDJVNA-UHFFFAOYSA-N 1 0 257.341 1.119 40 0 CDABRO Nc1cc(CC[C@H]2CN(c3ncccn3)CCO2)cc[nH+]1 ZINC000257324006 362585738 /nfs/dbraw/zinc/58/57/38/362585738.db2.gz WMTUWUNTHJUXNF-ZDUSSCGKSA-N 1 0 285.351 1.292 40 0 CDABRO CCOCC(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000205676355 348744043 /nfs/dbraw/zinc/74/40/43/348744043.db2.gz FLBMVWDJXZPDSI-JSGCOSHPSA-N 1 0 254.374 1.546 40 0 CDABRO CCOC(=O)c1cnc(C[NH3+])c2c(OC)cc(OC)cc12 ZINC000000008765 355879985 /nfs/dbraw/zinc/87/99/85/355879985.db2.gz YWERKLDMXHCBDE-UHFFFAOYSA-N 1 0 290.319 1.887 40 0 CDABRO CCC[NH2+]CCOC(=O)c1ccc(OCC)c(N)c1 ZINC000001661076 355945466 /nfs/dbraw/zinc/94/54/66/355945466.db2.gz GQMVANFDGJAZEK-UHFFFAOYSA-N 1 0 266.341 1.824 40 0 CDABRO CC1([NH3+])COP(=O)(NCc2ccccc2)OC1 ZINC000001700848 355947891 /nfs/dbraw/zinc/94/78/91/355947891.db2.gz ZPUBXQKRZFHQIS-UHFFFAOYSA-N 1 0 256.242 1.649 40 0 CDABRO CCN(C(=O)[C@H](C)[NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391256 356988547 /nfs/dbraw/zinc/98/85/47/356988547.db2.gz WBXNWXQLDNWTAD-NSHDSACASA-N 1 0 299.415 1.582 40 0 CDABRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000056513721 357344288 /nfs/dbraw/zinc/34/42/88/357344288.db2.gz KPAUBBHJUPFJJV-LLVKDONJSA-N 1 0 258.362 1.358 40 0 CDABRO COc1cc(/C=C2\SC(=O)N(CC[NH3+])C2=O)ccc1O ZINC000016195973 357487947 /nfs/dbraw/zinc/48/79/47/357487947.db2.gz LUUGABJYWLUQPY-XFFZJAGNSA-N 1 0 294.332 1.396 40 0 CDABRO CC(C)[N@@H+]1CCC[C@@H](c2cnc(N3CCOCC3)cn2)C1 ZINC000072364848 357830815 /nfs/dbraw/zinc/83/08/15/357830815.db2.gz VPTIORFCROQAMX-CQSZACIVSA-N 1 0 290.411 1.901 40 0 CDABRO CC(C)N(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)C[NH3+] ZINC000079391106 358069324 /nfs/dbraw/zinc/06/93/24/358069324.db2.gz NMYZULRPSWLFBY-LBPRGKRZSA-N 1 0 299.415 1.439 40 0 CDABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(Cc1ccoc1)C2 ZINC000096217497 358722487 /nfs/dbraw/zinc/72/24/87/358722487.db2.gz SXCFCILYNLSBCV-HUUCEWRRSA-N 1 0 264.369 1.680 40 0 CDABRO C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cccnc3)C2)C1 ZINC000096228720 358724023 /nfs/dbraw/zinc/72/40/23/358724023.db2.gz XNKMCPGOWJARBL-MRXNPFEDSA-N 1 0 289.379 1.266 40 0 CDABRO CCOC[C@@H]1Cn2nccc2C[N@H+](C[C@H]2CCOC2)C1 ZINC000107210545 359017596 /nfs/dbraw/zinc/01/75/96/359017596.db2.gz ZJXQTGUVMVTQJR-KGLIPLIRSA-N 1 0 279.384 1.388 40 0 CDABRO [NH3+]CCC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000072220478 359053933 /nfs/dbraw/zinc/05/39/33/359053933.db2.gz JGRDDHMSFSAVFP-UHFFFAOYSA-N 1 0 280.715 1.355 40 0 CDABRO C[NH+](C)CCCNC(=O)c1ccc2[nH]c(Cl)nc2c1 ZINC000225975274 359637233 /nfs/dbraw/zinc/63/72/33/359637233.db2.gz LIVHRQXEWCFACT-UHFFFAOYSA-N 1 0 280.759 1.898 40 0 CDABRO CCC[N@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514289875 360122363 /nfs/dbraw/zinc/12/23/63/360122363.db2.gz PPWBJRKLBIJTLZ-OCCSQVGLSA-N 1 0 260.337 1.614 40 0 biogenic,in-vitro CDABRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccn3ccnc3c2)C1 ZINC000333313849 205211189 /nfs/dbraw/zinc/21/11/89/205211189.db2.gz MBIQSPORJDSIQV-LLVKDONJSA-N 1 0 259.313 1.160 40 0 CDABRO Cc1cc(C)cc(OC[C@@H](O)CN2CCC[NH2+]CC2)c1 ZINC000064875893 374240524 /nfs/dbraw/zinc/24/05/24/374240524.db2.gz HZIDOLGWYQMWHZ-HNNXBMFYSA-N 1 0 278.396 1.338 40 0 CDABRO COc1cc(NC[C@H]2CCC[NH2+]2)nc(SC)n1 ZINC000079439924 374405383 /nfs/dbraw/zinc/40/53/83/374405383.db2.gz GXMNWCGUHSIYTJ-MRVPVSSYSA-N 1 0 254.359 1.371 40 0 CDABRO COC[C@@H]1CCCN(CC(=O)NCC(F)(F)F)C1 ZINC000079091157 374767808 /nfs/dbraw/zinc/76/78/08/374767808.db2.gz BNLVDURUHZTMIY-SECBINFHSA-N 1 0 268.279 1.023 40 0 CDABRO Cc1ncn(CCS(=O)(=O)c2ccccc2)c1C ZINC000079090716 374768334 /nfs/dbraw/zinc/76/83/34/374768334.db2.gz FFBWEGQARIDNMW-UHFFFAOYSA-N 1 0 264.350 1.974 40 0 CDABRO COC(=O)c1cc2c(nc1-c1ccoc1)CC[NH2+]CC2 ZINC000306140128 374970275 /nfs/dbraw/zinc/97/02/75/374970275.db2.gz ULBQFGSFQPBKEJ-UHFFFAOYSA-N 1 0 272.304 1.816 40 0 CDABRO Fc1cccnc1OC[C@@]12CCCO[C@H]1CC[NH2+]C2 ZINC000306125845 374967552 /nfs/dbraw/zinc/96/75/52/374967552.db2.gz DDQCHXUZIZJUJB-JSGCOSHPSA-N 1 0 266.316 1.758 40 0 CDABRO O=C1c2cccn2[C@H]2C[NH2+]C[C@H]2N1Cc1cccs1 ZINC000306128606 374968268 /nfs/dbraw/zinc/96/82/68/374968268.db2.gz HGCDAORTRBAFIU-QWHCGFSZSA-N 1 0 273.361 1.719 40 0 CDABRO C[C@H]([NH2+]CCN(C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000230024205 375299333 /nfs/dbraw/zinc/29/93/33/375299333.db2.gz YKTYQTJPTLNLGO-XQQFMLRXSA-N 1 0 255.406 1.031 40 0 CDABRO CCCn1nccc1-c1cnc(C[C@H]2CC[NH2+]C2)cn1 ZINC000257204961 190011813 /nfs/dbraw/zinc/01/18/13/190011813.db2.gz AXBFCUYRJSDLAW-GFCCVEGCSA-N 1 0 271.368 1.902 40 0 CDABRO Cc1nc(NCCc2cnccn2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000257203307 190011831 /nfs/dbraw/zinc/01/18/31/190011831.db2.gz APLOEJKCXORNFE-CYBMUJFWSA-N 1 0 298.394 1.697 40 0 CDABRO c1cn2c(n1)nccc2[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000257235633 190016977 /nfs/dbraw/zinc/01/69/77/190016977.db2.gz GYSHTNMKYFQZLH-LBPRGKRZSA-N 1 0 272.352 1.698 40 0 CDABRO C[C@]1(C(=O)NC2(c3ccccc3)CCCC2)C[NH2+]CCO1 ZINC000257234474 190017091 /nfs/dbraw/zinc/01/70/91/190017091.db2.gz GTQMFXQYYNJYNL-MRXNPFEDSA-N 1 0 288.391 1.951 40 0 CDABRO Cc1cncc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257235103 190017191 /nfs/dbraw/zinc/01/71/91/190017191.db2.gz GWLFRIYDCLFRFI-GJZGRUSLSA-N 1 0 262.353 1.506 40 0 CDABRO Cc1n[nH]cc1C[N@H+]1CC[C@@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257239895 190017674 /nfs/dbraw/zinc/01/76/74/190017674.db2.gz HRHCLDOUXBYMMZ-GFCCVEGCSA-N 1 0 288.399 1.492 40 0 CDABRO CN(C)Cc1c[nH]c([C@H]2CC[N@H+](Cc3cncnc3)C2)n1 ZINC000257247088 190019680 /nfs/dbraw/zinc/01/96/80/190019680.db2.gz IXJKZUIYHREEDN-ZDUSSCGKSA-N 1 0 286.383 1.251 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2ccccc2)C1 ZINC000257248109 190019991 /nfs/dbraw/zinc/01/99/91/190019991.db2.gz JCDLILDSSVNRBO-MRXNPFEDSA-N 1 0 276.380 1.144 40 0 CDABRO CC[N@H+](CCO)Cc1ccnc([C@H]2CCCOC2)n1 ZINC000257268319 190023820 /nfs/dbraw/zinc/02/38/20/190023820.db2.gz MLDBJWYUFGVONA-LBPRGKRZSA-N 1 0 265.357 1.185 40 0 CDABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000257263621 190022367 /nfs/dbraw/zinc/02/23/67/190022367.db2.gz LQTVUADTJBJVMC-CYBMUJFWSA-N 1 0 279.384 1.439 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]1(C[NH3+])COC ZINC000218025422 375779158 /nfs/dbraw/zinc/77/91/58/375779158.db2.gz CPXWCVFFZLXJNZ-MGPQQGTHSA-N 1 0 283.393 1.179 40 0 CDABRO CCn1cc(-c2cnc(C[C@H]3CCC[NH2+]C3)cn2)cn1 ZINC000257283604 190026561 /nfs/dbraw/zinc/02/65/61/190026561.db2.gz OYZFLASAFJZVHN-GFCCVEGCSA-N 1 0 271.368 1.902 40 0 CDABRO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCC[NH2+]1 ZINC000257285113 190027377 /nfs/dbraw/zinc/02/73/77/190027377.db2.gz PFSLVTYEVAYYFK-LLVKDONJSA-N 1 0 273.340 1.246 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@H]1C[NH3+] ZINC000218085803 375787901 /nfs/dbraw/zinc/78/79/01/375787901.db2.gz WHOQDXPLWJZSMR-AGIUHOORSA-N 1 0 269.366 1.171 40 0 CDABRO C[N@@H+]1CCN(Cc2ncc[nH]2)C[C@@H]1c1ccccc1 ZINC000257299166 190029822 /nfs/dbraw/zinc/02/98/22/190029822.db2.gz ROZDFTDOJQTONL-CQSZACIVSA-N 1 0 256.353 1.898 40 0 CDABRO CC[NH+]1CCC(NC(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC000002732974 378051225 /nfs/dbraw/zinc/05/12/25/378051225.db2.gz QNCLEPGJBLDTCT-UHFFFAOYSA-N 1 0 286.326 1.801 40 0 CDABRO Nc1cc(Cl)c(N(CCO)C2=[NH+]CCN2)c(Cl)c1 ZINC000001579880 390139192 /nfs/dbraw/zinc/13/91/92/390139192.db2.gz GQQYWMAVGGTVAE-UHFFFAOYSA-N 1 0 289.166 1.334 40 0 CDABRO CCN(CC)C(=O)[C@H]1CCCN1[C@@H](C[NH3+])C(F)(F)F ZINC000096529448 390540910 /nfs/dbraw/zinc/54/09/10/390540910.db2.gz AKCHINCQNYUUKT-ZJUUUORDSA-N 1 0 281.322 1.209 40 0 CDABRO O=C1COC2(CC[NH2+]CC2)CN1Cc1ccccc1Cl ZINC000096531520 390541955 /nfs/dbraw/zinc/54/19/55/390541955.db2.gz UWCZLQSRZZPLGX-UHFFFAOYSA-N 1 0 294.782 1.821 40 0 CDABRO C/C=C/C(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473154 391482690 /nfs/dbraw/zinc/48/26/90/391482690.db2.gz NEGKQGQBHBOVEP-NHEDYWLLSA-N 1 0 268.426 1.992 40 0 CDABRO CSc1ncc(C[NH2+]CCCN2CCOCC2)cn1 ZINC000062718335 391574879 /nfs/dbraw/zinc/57/48/79/391574879.db2.gz SVHMDSSLXJNCNZ-UHFFFAOYSA-N 1 0 282.413 1.010 40 0 CDABRO Cc1ccc2c(c1)C1(CN2C(=O)CN(C)C)CC[NH2+]CC1 ZINC000096160993 393009578 /nfs/dbraw/zinc/00/95/78/393009578.db2.gz TTYDFOSVDBZCPV-UHFFFAOYSA-N 1 0 287.407 1.524 40 0 CDABRO Cc1ccccc1C[NH2+]C[C@H]1Cn2ccnc2CO1 ZINC000096296264 393174045 /nfs/dbraw/zinc/17/40/45/393174045.db2.gz QQXIMLJFIONOGF-AWEZNQCLSA-N 1 0 257.337 1.880 40 0 biogenic,in-vitro CDABRO COCC[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000004969269 170047075 /nfs/dbraw/zinc/04/70/75/170047075.db2.gz PJBGEEKZGBIYMU-LLVKDONJSA-N 1 0 262.353 1.738 40 0 CDABRO CCOc1ccc(C[NH2+]C[C@@H](C)O)cc1OCC ZINC000008324887 170331224 /nfs/dbraw/zinc/33/12/24/170331224.db2.gz JNOLGWYXRSMQTC-LLVKDONJSA-N 1 0 253.342 1.954 40 0 CDABRO COCCOc1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)ccn1 ZINC000035424842 172193492 /nfs/dbraw/zinc/19/34/92/172193492.db2.gz MYWUDWTZDRPJRX-NSHDSACASA-N 1 0 290.323 1.581 40 0 biogenic,in-vitro CDABRO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114731 175663139 /nfs/dbraw/zinc/66/31/39/175663139.db2.gz WCIBZSHMJWMXFK-LLVKDONJSA-N 1 0 252.745 1.908 40 0 CDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(Br)c1 ZINC000067173331 175770262 /nfs/dbraw/zinc/77/02/62/175770262.db2.gz ZMYRJTJFKAEHHZ-WDEREUQCSA-N 1 0 284.153 1.925 40 0 CDABRO C[C@H](C[NH3+])n1cc(I)cn1 ZINC000070677388 176001117 /nfs/dbraw/zinc/00/11/17/176001117.db2.gz MCRSNLWURZZUMQ-RXMQYKEDSA-N 1 0 251.071 1.007 40 0 CDABRO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc(OC)cc2)C1 ZINC000071143494 176041212 /nfs/dbraw/zinc/04/12/12/176041212.db2.gz PITICZUTPUZZGQ-CYBMUJFWSA-N 1 0 262.353 1.306 40 0 CDABRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)ccc1F ZINC000071412727 176157806 /nfs/dbraw/zinc/15/78/06/176157806.db2.gz LQMWYKAFDDITCZ-PELKAZGASA-N 1 0 254.280 1.693 40 0 CDABRO COc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)cc1 ZINC000072397636 176395015 /nfs/dbraw/zinc/39/50/15/176395015.db2.gz VXPYDZKZWJSQAM-BPLDGKMQSA-N 1 0 276.380 1.335 40 0 CDABRO CCS(=O)(=O)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096157335 260563832 /nfs/dbraw/zinc/56/38/32/260563832.db2.gz QOUWRPKIAIQYPJ-UHFFFAOYSA-N 1 0 294.420 1.473 40 0 CDABRO COC(=O)[C@@H]1C[C@]2(c3ccccc3NC2=O)[N@@H+]2CCC[C@@H]12 ZINC000216298064 262154454 /nfs/dbraw/zinc/15/44/54/262154454.db2.gz GILNPVJKDQWNGY-AKWBHNSASA-N 1 0 286.331 1.491 40 0 CDABRO CC(C)Nc1ncc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000062717610 262302370 /nfs/dbraw/zinc/30/23/70/262302370.db2.gz MOJOZSNEGCXJIY-GFCCVEGCSA-N 1 0 250.346 1.566 40 0 CDABRO CCOc1ccc(CN(C)C[C@]2(O)CCC[N@H+](C)C2)cc1 ZINC000046087349 423940477 /nfs/dbraw/zinc/94/04/77/423940477.db2.gz HLSNXKOXUGZJHR-KRWDZBQOSA-N 1 0 292.423 1.974 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC000039952026 275823952 /nfs/dbraw/zinc/82/39/52/275823952.db2.gz PFNAADUCAQFVNU-LLVKDONJSA-N 1 0 255.362 1.029 40 0 CDABRO CC(=O)N(C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1)C(C)C ZINC000079418051 276951268 /nfs/dbraw/zinc/95/12/68/276951268.db2.gz HPOQILBCDIDLIW-GJZGRUSLSA-N 1 0 297.443 1.465 40 0 CDABRO C[C@@H]1OC(=O)[C@H]2[C@@H]1[N@@H+]1CCc3ccccc3[C@@H]1C[C@@H]2O ZINC000020111855 279038948 /nfs/dbraw/zinc/03/89/48/279038948.db2.gz MPEJFJFZVUSBET-JLGPQHSXSA-N 1 0 273.332 1.281 40 0 CDABRO O=C([C@H]1C[C@@H]2CC[N@@H+](C3CCC3)C[C@H]2O1)N1CCCCO1 ZINC000096042877 280149647 /nfs/dbraw/zinc/14/96/47/280149647.db2.gz BPTZUHJURJYKCF-NWANDNLSSA-N 1 0 294.395 1.572 40 0 CDABRO CCn1nc(C)cc1[C@@H](O)C1(C[NH3+])CCOCC1 ZINC000085395778 281670593 /nfs/dbraw/zinc/67/05/93/281670593.db2.gz OIJJAIAOHZVHQA-GFCCVEGCSA-N 1 0 253.346 1.000 40 0 CDABRO CNC(=O)[C@H]1C[N@@H+](C(C)C)CCN1Cc1ccccc1 ZINC000248037643 334293811 /nfs/dbraw/zinc/29/38/11/334293811.db2.gz ZLGDQZYGPPOKDH-OAHLLOKOSA-N 1 0 275.396 1.327 40 0 CDABRO CCC(C)(C)[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000062717773 521351716 /nfs/dbraw/zinc/35/17/16/521351716.db2.gz YMZCBHFXCSGNIB-UHFFFAOYSA-N 1 0 264.373 1.591 40 0 CDABRO COc1cccc(C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000022829324 525816818 /nfs/dbraw/zinc/81/68/18/525816818.db2.gz GWNLDSCPSDEBFD-UHFFFAOYSA-N 1 0 291.395 1.063 40 0 CDABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccc(Br)cc1 ZINC000062713676 527242130 /nfs/dbraw/zinc/24/21/30/527242130.db2.gz XHBXSBJVSFMDCS-QWRGUYRKSA-N 1 0 256.143 1.874 40 0 CDABRO C[N@@H+]1C[C@@H](C(=O)NCC(F)F)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595922 1159318509 /nfs/dbraw/zinc/31/85/09/1159318509.db2.gz SNZZPEFAEMCTST-SUNKGSAMSA-N 1 0 296.317 1.679 40 0 CDABRO C[N@@H+]1C[C@@H](C(=O)N2CCC2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595769 1159318931 /nfs/dbraw/zinc/31/89/31/1159318931.db2.gz LTTXIDZRWBCFHM-IPYPFGDCSA-N 1 0 272.348 1.530 40 0 CDABRO CCOC(=O)C1([NH3+])CC(COCc2ccccc2)C1 ZINC000258190536 1181371899 /nfs/dbraw/zinc/37/18/99/1181371899.db2.gz CHSCSXLMFNHJOY-UHFFFAOYSA-N 1 0 263.337 1.874 40 0 CDABRO COCC[N@@H+]1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041374 185069366 /nfs/dbraw/zinc/06/93/66/185069366.db2.gz KQIHHUURAFJDGW-JYJNAYRXSA-N 1 0 292.379 1.476 40 0 CDABRO CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccs2)C1 ZINC000096057597 185077927 /nfs/dbraw/zinc/07/79/27/185077927.db2.gz KGHDYBJUGZNMBG-IACUBPJLSA-N 1 0 294.420 1.816 40 0 CDABRO Cn1nc(Cn2cccc2)c2c1C[N@@H+](C1CCOCC1)C2 ZINC000096084478 185091995 /nfs/dbraw/zinc/09/19/95/185091995.db2.gz MZTWCCBMMDHXLV-UHFFFAOYSA-N 1 0 286.379 1.765 40 0 CDABRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096108621 185099397 /nfs/dbraw/zinc/09/93/97/185099397.db2.gz FIRPUDSVIFFFDP-UKRRQHHQSA-N 1 0 265.328 1.921 40 0 CDABRO Cc1cccc(CN2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)n1 ZINC000096108246 185099452 /nfs/dbraw/zinc/09/94/52/185099452.db2.gz CVEVDIRUHUXJNJ-ZBFHGGJFSA-N 1 0 275.396 1.400 40 0 CDABRO COc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000096629229 185107801 /nfs/dbraw/zinc/10/78/01/185107801.db2.gz NMFLVZAMHIGYGU-CQSZACIVSA-N 1 0 276.380 1.696 40 0 CDABRO CC(C)(C)OC(=O)N1CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000409428030 342168564 /nfs/dbraw/zinc/16/85/64/342168564.db2.gz YGJFEXYBRWRZEM-UHFFFAOYSA-N 1 0 295.387 1.384 40 0 CDABRO CCn1nccc1-c1cc(C[C@H]2CCC[NH2+]C2)ncn1 ZINC000585180176 342232564 /nfs/dbraw/zinc/23/25/64/342232564.db2.gz QOEZBRQQGZRQQZ-GFCCVEGCSA-N 1 0 271.368 1.902 40 0 CDABRO CO[C@@]1(COc2ccc(F)cc2)CC[N@H+](CCO)C1 ZINC000585273925 342256038 /nfs/dbraw/zinc/25/60/38/342256038.db2.gz GSXIQXFQGODKOK-AWEZNQCLSA-N 1 0 269.316 1.288 40 0 CDABRO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]2OC(C)(C)C[C@@H]2C1 ZINC000585286292 342258705 /nfs/dbraw/zinc/25/87/05/342258705.db2.gz WGYYPTAHIAGZOZ-AGIUHOORSA-N 1 0 268.401 1.776 40 0 CDABRO CO[C@@H]1Cn2nccc2C[N@H+](CC2CCOCC2)C1 ZINC000247819566 362133720 /nfs/dbraw/zinc/13/37/20/362133720.db2.gz COVFQHDZPJTKEP-AWEZNQCLSA-N 1 0 265.357 1.140 40 0 CDABRO c1ccc(C[N@H+]2CCOC[C@H](Cc3cnccn3)C2)nc1 ZINC000257222509 362577638 /nfs/dbraw/zinc/57/76/38/362577638.db2.gz DTOAIWQWOWPMTP-CQSZACIVSA-N 1 0 284.363 1.563 40 0 CDABRO CNc1nccnc1[C@@H]1CN(c2ccnc(C)n2)CCO1 ZINC000257328930 362587127 /nfs/dbraw/zinc/58/71/27/362587127.db2.gz XHQUAXLTGGCBOC-NSHDSACASA-N 1 0 286.339 1.195 40 0 CDABRO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCC[NH+](C)C ZINC000013596007 348736550 /nfs/dbraw/zinc/73/65/50/348736550.db2.gz WSCHOYQCXDJCKP-HNNXBMFYSA-N 1 0 294.395 1.921 40 0 CDABRO CN(C)C(=O)[C@H]1C[N@H+](Cc2ccsc2)[C@@H]2CCO[C@@H]21 ZINC000108524679 186220461 /nfs/dbraw/zinc/22/04/61/186220461.db2.gz KSZIWVAIOSDGJR-YNEHKIRRSA-N 1 0 280.393 1.426 40 0 CDABRO CSC[C@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000157140016 188299931 /nfs/dbraw/zinc/29/99/31/188299931.db2.gz YQJZROYJHCRGAJ-YEJSDXFRSA-N 1 0 256.415 1.775 40 0 CDABRO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](CC)CO)cc1 ZINC000002705566 355978850 /nfs/dbraw/zinc/97/88/50/355978850.db2.gz QSCNSJFTLJKABL-KBPBESRZSA-N 1 0 295.379 1.380 40 0 CDABRO CC(C)(C)[NH2+]C[C@H](O)COC[C@@H]1COc2ccccc2O1 ZINC000003623553 356007982 /nfs/dbraw/zinc/00/79/82/356007982.db2.gz ZJWWWCZRROHPDH-QWHCGFSZSA-N 1 0 295.379 1.592 40 0 in-man CDABRO O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH2+]CC1 ZINC000019344520 356481114 /nfs/dbraw/zinc/48/11/14/356481114.db2.gz JCKWSZOSRAOIBK-UHFFFAOYSA-N 1 0 291.376 1.086 40 0 CDABRO OCCCn1cc(C[N@@H+]2CC[C@H](CO)C2)c2ccccc21 ZINC000019376124 356484393 /nfs/dbraw/zinc/48/43/93/356484393.db2.gz GCLFNQLFYRTFHJ-AWEZNQCLSA-N 1 0 288.391 1.838 40 0 CDABRO CCc1ccccc1O[C@H](C)C(=O)NCC[NH+](C)C ZINC000030866119 356755498 /nfs/dbraw/zinc/75/54/98/356755498.db2.gz TXRJEZMFBDFDKG-GFCCVEGCSA-N 1 0 264.369 1.694 40 0 CDABRO C[N@@H+]1C[C@@H](CO)CC12CN(C(=O)c1cc(F)cc(F)c1)C2 ZINC000585093948 358098873 /nfs/dbraw/zinc/09/88/73/358098873.db2.gz RRDQIZTZQICJOY-JTQLQIEISA-N 1 0 296.317 1.103 40 0 CDABRO CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cnn(C)c2)O1 ZINC000096186045 358713887 /nfs/dbraw/zinc/71/38/87/358713887.db2.gz NVZAXVJMILWMPO-KKUMJFAQSA-N 1 0 279.384 1.579 40 0 CDABRO CC[NH+](CC)Cc1cn2c(n1)CN(CCOC)CC2 ZINC000096197193 358716226 /nfs/dbraw/zinc/71/62/26/358716226.db2.gz CDAQJUBUCQWHFU-UHFFFAOYSA-N 1 0 266.389 1.187 40 0 CDABRO CCOC[C@@H]1CC2(CO1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096209305 358721395 /nfs/dbraw/zinc/72/13/95/358721395.db2.gz GIMNHZGXXYLBSG-HNNXBMFYSA-N 1 0 293.411 1.828 40 0 CDABRO CO[C@@H]1CO[C@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1 ZINC000096218362 358722053 /nfs/dbraw/zinc/72/20/53/358722053.db2.gz FRKPEGTYIDCTHY-LSDHHAIUSA-N 1 0 262.353 1.770 40 0 CDABRO C[C@@H](O)C[NH+]1CCC2(C[C@H](c3cccnc3)CO2)CC1 ZINC000096220303 358722144 /nfs/dbraw/zinc/72/21/44/358722144.db2.gz FCZYMEQHPFLEHZ-HIFRSBDPSA-N 1 0 276.380 1.801 40 0 CDABRO COc1ccc(-n2ncc3c2nc[nH+]c3NN)cc1 ZINC000062203246 359292525 /nfs/dbraw/zinc/29/25/25/359292525.db2.gz ATIKKUWZJLPZKI-UHFFFAOYSA-N 1 0 256.269 1.110 40 0 CDABRO CC(C)c1ccc(CN2CC[C@@H](C[NH3+])S2(=O)=O)cc1 ZINC000222538991 359351748 /nfs/dbraw/zinc/35/17/48/359351748.db2.gz HKHZAULQLYMLSW-AWEZNQCLSA-N 1 0 282.409 1.673 40 0 CDABRO [NH3+]C[C@H]1CC(C(=O)Nc2ccc(C(F)(F)F)cc2)=NO1 ZINC000222552133 359353679 /nfs/dbraw/zinc/35/36/79/359353679.db2.gz RWNSEUYTLYURCU-SECBINFHSA-N 1 0 287.241 1.748 40 0 CDABRO O=C(Nc1ccc(N2CCCC2)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000062114414 359957069 /nfs/dbraw/zinc/95/70/69/359957069.db2.gz YLMWGPRIBAICLW-NSHDSACASA-N 1 0 277.343 1.974 40 0 CDABRO CO[C@@H]1CCN(C(=O)c2ccsc2)[C@@H](C[NH3+])C1 ZINC000161068684 360563487 /nfs/dbraw/zinc/56/34/87/360563487.db2.gz GWLGMPGMBOLZKK-GHMZBOCLSA-N 1 0 254.355 1.326 40 0 CDABRO CC(C)([NH3+])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000236797877 361374653 /nfs/dbraw/zinc/37/46/53/361374653.db2.gz LLJJVYCUCFJTRK-JTQLQIEISA-N 1 0 291.178 1.880 40 0 CDABRO CC[NH+](CC)CCCNCc1cnc(N2CCCC2)nc1 ZINC000062718502 364841357 /nfs/dbraw/zinc/84/13/57/364841357.db2.gz PEFNXSQRSLXQFT-UHFFFAOYSA-N 1 0 291.443 1.898 40 0 CDABRO NC(=[NH2+])c1ccc(I)c(F)c1 ZINC000199558244 367327512 /nfs/dbraw/zinc/32/75/12/367327512.db2.gz RFKDZAUYXXHKDV-UHFFFAOYSA-N 1 0 264.041 1.714 40 0 CDABRO CN(CCn1cccn1)C(=O)c1ccc(C[NH3+])cc1 ZINC000168809023 371732212 /nfs/dbraw/zinc/73/22/12/371732212.db2.gz UKUSHOJBZYIWFL-UHFFFAOYSA-N 1 0 258.325 1.114 40 0 CDABRO COc1cc(N2CC[NH2+][C@H](C)C2)nc(SC)n1 ZINC000079439632 374405868 /nfs/dbraw/zinc/40/58/68/374405868.db2.gz KMJGOHQGIIVISY-MRVPVSSYSA-N 1 0 254.359 1.005 40 0 CDABRO c1ccc(OCc2nnn(CC[NH+]3CCCCC3)n2)cc1 ZINC000225507520 374581635 /nfs/dbraw/zinc/58/16/35/374581635.db2.gz PVFLJXNEXRKQHT-UHFFFAOYSA-N 1 0 287.367 1.738 40 0 CDABRO CCCn1cc(C[NH2+]Cc2cnn(CCF)c2)cn1 ZINC000256051249 190003648 /nfs/dbraw/zinc/00/36/48/190003648.db2.gz IJYPZVJQOFBEOC-UHFFFAOYSA-N 1 0 265.336 1.749 40 0 CDABRO Cc1c(C[NH2+]Cc2cnn(CC(F)F)c2C)cnn1C ZINC000256052560 190004485 /nfs/dbraw/zinc/00/44/85/190004485.db2.gz NVGBTSNMEVOKOG-UHFFFAOYSA-N 1 0 283.326 1.788 40 0 CDABRO COc1ccc(-c2ccc3nnc(CC[NH3+])n3n2)cc1OC ZINC000217566807 375673491 /nfs/dbraw/zinc/67/34/91/375673491.db2.gz XMDKLNQWROZYMN-UHFFFAOYSA-N 1 0 299.334 1.310 40 0 CDABRO Cn1nccc1CCC(=O)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257239278 190017698 /nfs/dbraw/zinc/01/76/98/190017698.db2.gz HOQRDJRWEGWJSL-UKRRQHHQSA-N 1 0 290.411 1.343 40 0 CDABRO CN(C)C(=O)c1cc(C[C@H]2CCC[N@H+](C)C2)ncn1 ZINC000257245324 190019634 /nfs/dbraw/zinc/01/96/34/190019634.db2.gz IOZFFGABJOVZBG-LLVKDONJSA-N 1 0 262.357 1.063 40 0 CDABRO [NH3+][C@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218041405 375780296 /nfs/dbraw/zinc/78/02/96/375780296.db2.gz QSGXPGZAIDUJBB-ILXRZTDVSA-N 1 0 273.357 1.954 40 0 CDABRO CCOC[C@@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217978817 375769453 /nfs/dbraw/zinc/76/94/53/375769453.db2.gz WWPMYTOKVNMVIW-OLZOCXBDSA-N 1 0 269.366 1.214 40 0 CDABRO Cc1nc(Nc2ncccn2)cc([C@H]2CC[NH2+]C2)n1 ZINC000257272517 190024326 /nfs/dbraw/zinc/02/43/26/190024326.db2.gz NCRVDECJAYHXCY-JTQLQIEISA-N 1 0 256.313 1.396 40 0 CDABRO CN(c1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCO)CC2 ZINC000257272674 190024592 /nfs/dbraw/zinc/02/45/92/190024592.db2.gz NDJVPKGCXAMKIS-INIZCTEOSA-N 1 0 290.407 1.739 40 0 CDABRO CCc1nc(C)c(C[N@@H+]2C[C@H](OC)[C@]3(CCCO3)C2)[nH]1 ZINC000257274196 190024802 /nfs/dbraw/zinc/02/48/02/190024802.db2.gz NJYFXJSXADMSIG-ZFWWWQNUSA-N 1 0 279.384 1.660 40 0 CDABRO Cc1nc([C@@H]2CC[NH2+]C2)ncc1C(=O)N1CCCC1 ZINC000257293197 190028729 /nfs/dbraw/zinc/02/87/29/190028729.db2.gz QONBTZJUQGHHTD-LLVKDONJSA-N 1 0 260.341 1.098 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2cncc(C(=O)NCC3CC3)n2)C1 ZINC000257316796 190032794 /nfs/dbraw/zinc/03/27/94/190032794.db2.gz VHAKYMNAYKSJHF-GFCCVEGCSA-N 1 0 274.368 1.426 40 0 CDABRO O=C1c2ccccc2C2=C1N(O)[C@@H]1CCCC[C@H]1[N+]2=O ZINC000169295043 285024293 /nfs/dbraw/zinc/02/42/93/285024293.db2.gz CSPAZJUKGODKGZ-VXGBXAGGSA-N 1 0 270.288 1.458 40 0 CDABRO COCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089223617 285081958 /nfs/dbraw/zinc/08/19/58/285081958.db2.gz DLDRIHSIFLPVPS-LLVKDONJSA-N 1 0 258.362 1.479 40 0 CDABRO Cc1noc(CN[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000289322243 197296938 /nfs/dbraw/zinc/29/69/38/197296938.db2.gz CMKVOLZXDOBFJK-UKRRQHHQSA-N 1 0 272.352 1.913 40 0 CDABRO O=C(Cc1cccnc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000096157518 256813060 /nfs/dbraw/zinc/81/30/60/256813060.db2.gz RIKQBKGOJXDRDJ-UHFFFAOYSA-N 1 0 259.353 1.226 40 0 CDABRO CCC1=N[C@@]2(CC[C@@H]3C[NH2+]C[C@@H]32)C(=O)N1CC(C)C ZINC000096261685 256838230 /nfs/dbraw/zinc/83/82/30/256838230.db2.gz ZKNYRPFCMQJKIA-TYNCELHUSA-N 1 0 263.385 1.661 40 0 CDABRO [NH3+]Cc1nnc2ccc(-c3nc(C4CC4)no3)cn21 ZINC000096516526 390534793 /nfs/dbraw/zinc/53/47/93/390534793.db2.gz PEQIXZDOBSZQIH-UHFFFAOYSA-N 1 0 256.269 1.115 40 0 CDABRO CCOC(=O)[C@H](CN)C1([NH+]2CCCCC2)CCCC1 ZINC000072210401 390618029 /nfs/dbraw/zinc/61/80/29/390618029.db2.gz CMFGAYWEVGJSQV-ZDUSSCGKSA-N 1 0 268.401 1.923 40 0 CDABRO C[C@H]1CCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096157311 390913314 /nfs/dbraw/zinc/91/33/14/390913314.db2.gz LWRIIFBOFNRBHI-NWDGAFQWSA-N 1 0 252.358 1.299 40 0 CDABRO C[C@@H]1CCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096157310 390913352 /nfs/dbraw/zinc/91/33/52/390913352.db2.gz LWRIIFBOFNRBHI-VXGBXAGGSA-N 1 0 252.358 1.299 40 0 CDABRO CC[NH+]1CCN([C@H](C)C(=O)Nc2ncc(C)s2)CC1 ZINC000019527889 391324414 /nfs/dbraw/zinc/32/44/14/391324414.db2.gz OTCSBMDIVGIYBH-LLVKDONJSA-N 1 0 282.413 1.416 40 0 CDABRO Cc1cc(-c2cncc(C3CC[NH+](C)CC3)n2)n[nH]1 ZINC000257232212 391648037 /nfs/dbraw/zinc/64/80/37/391648037.db2.gz GJVZANNUMFMEGD-UHFFFAOYSA-N 1 0 257.341 1.984 40 0 CDABRO CCN1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1=O ZINC000333526545 285470342 /nfs/dbraw/zinc/47/03/42/285470342.db2.gz IDAKOMFEEHRMBA-DDTOSNHZSA-N 1 0 259.353 1.342 40 0 CDABRO CC[NH+]1CCN(c2ccc(-n3cccc3)cc2C(N)=O)CC1 ZINC000226279606 393193323 /nfs/dbraw/zinc/19/33/23/393193323.db2.gz AILYMWJZWDUQIQ-UHFFFAOYSA-N 1 0 298.390 1.718 40 0 CDABRO COc1cc(N2CCC[C@]3(CCC[N@@H+]3C)C2)ncn1 ZINC000096071415 398069594 /nfs/dbraw/zinc/06/95/94/398069594.db2.gz AHIUNQXCOXSXNI-CQSZACIVSA-N 1 0 262.357 1.550 40 0 CDABRO Cc1nc(NCC2CC2)nc2c1COC[C@]21CC[N@@H+](C)C1 ZINC000096080398 398070322 /nfs/dbraw/zinc/07/03/22/398070322.db2.gz NSOZOWPWPDCKQC-MRXNPFEDSA-N 1 0 288.395 1.710 40 0 CDABRO Cc1ccccc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000658404925 413392604 /nfs/dbraw/zinc/39/26/04/413392604.db2.gz YTMPYKHGCLKCPO-UHFFFAOYSA-N 1 0 266.366 1.025 40 0 CDABRO C=Cc1cc[n+](CCn2cnc3c2ncnc3N)cc1 ZINC000001762431 169755832 /nfs/dbraw/zinc/75/58/32/169755832.db2.gz NOBHJAVLFREJSX-UHFFFAOYSA-N 1 0 267.316 1.039 40 0 CDABRO COc1ccc2nc(NC(=N)NC(N)=[NH2+])sc2c1 ZINC000005640479 170123173 /nfs/dbraw/zinc/12/31/73/170123173.db2.gz RVHGJGYPVKXGGD-UHFFFAOYSA-N 1 0 264.314 1.135 40 0 CDABRO CCOC(=O)C1CCN(c2ccccc2C[NH3+])CC1 ZINC000026896369 171502236 /nfs/dbraw/zinc/50/22/36/171502236.db2.gz BHUYWCARCZLZRJ-UHFFFAOYSA-N 1 0 262.353 1.925 40 0 CDABRO Clc1ccsc1CN1CCOC2(C[NH2+]C2)C1 ZINC000663511960 414318050 /nfs/dbraw/zinc/31/80/50/414318050.db2.gz YAPHYNOLROGCEA-UHFFFAOYSA-N 1 0 258.774 1.576 40 0 CDABRO CC[C@@](O)(C[NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072208114 176342846 /nfs/dbraw/zinc/34/28/46/176342846.db2.gz VIIOAZCDOSYZPE-CQSZACIVSA-N 1 0 272.389 1.733 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(O)C[NH3+])C1 ZINC000072208060 176343025 /nfs/dbraw/zinc/34/30/25/176343025.db2.gz JIBIFMUBOQYMBV-MFKMUULPSA-N 1 0 258.362 1.343 40 0 CDABRO CC[NH+](CC)CCNS(=O)(=O)c1cnn(C(C)C)c1 ZINC000072239298 176347569 /nfs/dbraw/zinc/34/75/69/176347569.db2.gz CZULWMXJDIWYGS-UHFFFAOYSA-N 1 0 288.417 1.084 40 0 CDABRO CN1CC[NH2+]C[C@H](Cc2cccc3ncccc23)C1 ZINC000072344401 176373295 /nfs/dbraw/zinc/37/32/95/176373295.db2.gz WGNZOCVLEKSFCF-ZDUSSCGKSA-N 1 0 255.365 1.929 40 0 CDABRO COCC(=O)N1CCC[C@H]1c1cc(N(C)C)cc(C)[nH+]1 ZINC000072356649 176375725 /nfs/dbraw/zinc/37/57/25/176375725.db2.gz XUPZWKGBXNVVNC-AWEZNQCLSA-N 1 0 277.368 1.766 40 0 CDABRO CNC(=O)CCc1cc(C)nc([C@H]2CCCC[NH2+]2)n1 ZINC000072363377 176377632 /nfs/dbraw/zinc/37/76/32/176377632.db2.gz RZSCDMZFYIIRDY-GFCCVEGCSA-N 1 0 262.357 1.278 40 0 CDABRO O=C(NCCc1ccccc1)c1cnc([C@@H]2CCC[NH2+]2)cn1 ZINC000072365582 176380724 /nfs/dbraw/zinc/38/07/24/176380724.db2.gz DCWHERNWWZGVLP-AWEZNQCLSA-N 1 0 296.374 1.874 40 0 CDABRO COc1ccc(-c2ccc(=O)n(CC3CC[NH2+]CC3)n2)cc1 ZINC000072373580 176384590 /nfs/dbraw/zinc/38/45/90/176384590.db2.gz BDMHYYRNRFXVFO-UHFFFAOYSA-N 1 0 299.374 1.919 40 0 CDABRO NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[NH2+]C1 ZINC000072391940 176393725 /nfs/dbraw/zinc/39/37/25/176393725.db2.gz XDCSJDURAISEGV-QGZVFWFLSA-N 1 0 296.374 1.541 40 0 CDABRO CNc1ncc(CN(C)CC[NH+]2CCCCC2)cn1 ZINC000072398251 176396654 /nfs/dbraw/zinc/39/66/54/176396654.db2.gz KKQJUTLJORLVKJ-UHFFFAOYSA-N 1 0 263.389 1.436 40 0 CDABRO C[NH2+][C@H]1CCCN(C(=O)c2cccnc2Cl)C1 ZINC000079439460 177490983 /nfs/dbraw/zinc/49/09/83/177490983.db2.gz ICYKVZRCWUXDSZ-VIFPVBQESA-N 1 0 253.733 1.559 40 0 CDABRO CCOc1cc(N(C)[C@@H]2CCC[NH2+]C2)nc(SC)n1 ZINC000079439251 177491073 /nfs/dbraw/zinc/49/10/73/177491073.db2.gz UCUJAKWSLYRYTC-SNVBAGLBSA-N 1 0 282.413 1.785 40 0 CDABRO CCN(CC)c1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228919532 260317512 /nfs/dbraw/zinc/31/75/12/260317512.db2.gz PVOMVLQYRIKBMZ-UHFFFAOYSA-N 1 0 274.372 1.597 40 0 CDABRO [NH3+]CCN1C(=O)S[C@H](Cc2ccccc2)C1=O ZINC000006529696 274945942 /nfs/dbraw/zinc/94/59/42/274945942.db2.gz RGEOMOHHIAKZJV-SNVBAGLBSA-N 1 0 250.323 1.252 40 0 CDABRO O=C1O[C@@]2(CN1c1ccc(F)cc1)C[NH2+]CCOC2 ZINC000257317594 275027308 /nfs/dbraw/zinc/02/73/08/275027308.db2.gz VKKXCRNWTRBFSH-CYBMUJFWSA-N 1 0 266.272 1.141 40 0 CDABRO C[N@@H+]1CCC[C@@H](n2ncc3cnc(Cl)nc32)C1 ZINC000095097371 277055255 /nfs/dbraw/zinc/05/52/55/277055255.db2.gz LCDGTXXINHMRGO-SECBINFHSA-N 1 0 251.721 1.746 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@@H]1CCCN1C(=O)C[NH3+])C1CC1 ZINC000079409350 277178856 /nfs/dbraw/zinc/17/88/56/277178856.db2.gz GYKITJIYJNGCIM-LBPRGKRZSA-N 1 0 297.399 1.336 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCO)C1 ZINC000079408062 279299671 /nfs/dbraw/zinc/29/96/71/279299671.db2.gz HWCSAJUPKCFHAC-GFCCVEGCSA-N 1 0 272.389 1.699 40 0 CDABRO CCCCC[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000062717759 333176040 /nfs/dbraw/zinc/17/60/40/333176040.db2.gz KHLKOZQERDJYCB-UHFFFAOYSA-N 1 0 264.373 1.593 40 0 CDABRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000930655020 711938710 /nfs/dbraw/zinc/93/87/10/711938710.db2.gz AYAYTDDZZZOOFE-LBPRGKRZSA-N 1 0 278.356 1.870 40 0 CDABRO O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)c1ccccc1 ZINC000711351773 923511301 /nfs/dbraw/zinc/51/13/01/923511301.db2.gz NDWQYMLOGBMVGG-AAEUAGOBSA-N 1 0 266.366 1.107 40 0 CDABRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000930655019 933424166 /nfs/dbraw/zinc/42/41/66/933424166.db2.gz AYAYTDDZZZOOFE-GFCCVEGCSA-N 1 0 278.356 1.870 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2cscn2)C[C@@H]2CCCO[C@H]12 ZINC000097953429 230388540 /nfs/dbraw/zinc/38/85/40/230388540.db2.gz LXXFYMQXXARRPD-UHTWSYAYSA-N 1 0 295.408 1.324 40 0 CDABRO CCOc1ccc(-c2nnc([C@@H](C)[NH3+])[nH]2)cc1OC ZINC000095534690 185006068 /nfs/dbraw/zinc/00/60/68/185006068.db2.gz FJTCAMXUQQWKAG-MRVPVSSYSA-N 1 0 262.313 1.899 40 0 CDABRO C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC000096040861 185069089 /nfs/dbraw/zinc/06/90/89/185069089.db2.gz OBJFLJMGGWYFGE-BZPMIXESSA-N 1 0 278.352 1.110 40 0 CDABRO COc1ccc(C[NH2+]C[C@H]2OCCc3cn(C)nc32)cc1 ZINC000096044269 185071935 /nfs/dbraw/zinc/07/19/35/185071935.db2.gz OIDOZJKGLHEMMS-OAHLLOKOSA-N 1 0 287.363 1.832 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107940 185100107 /nfs/dbraw/zinc/10/01/07/185100107.db2.gz RLRZHRUMALZIEB-MAUKXSAKSA-N 1 0 297.402 1.997 40 0 CDABRO O=C(CC1CC1)NC[C@]12COC[C@H]1C[N@@H+](C1CCCC1)C2 ZINC000096110966 185101074 /nfs/dbraw/zinc/10/10/74/185101074.db2.gz MOCBUXYAVFFNCU-PBHICJAKSA-N 1 0 292.423 1.794 40 0 CDABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1Cn1cc(C[NH3+])nn1 ZINC000409427264 342168658 /nfs/dbraw/zinc/16/86/58/342168658.db2.gz VMPLCEZSHKWZOB-GFCCVEGCSA-N 1 0 295.387 1.526 40 0 CDABRO CC(C)(C)OC(=O)N1CCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000409438466 342169629 /nfs/dbraw/zinc/16/96/29/342169629.db2.gz CTIHUAFFLVLLSJ-QWHCGFSZSA-N 1 0 283.416 1.809 40 0 CDABRO CCC(CC)C(=O)N1CC[C@]2(CC[N@@H+]2CCOC)C1 ZINC000096075963 282149343 /nfs/dbraw/zinc/14/93/43/282149343.db2.gz SYDFNILOEUIRQG-HNNXBMFYSA-N 1 0 268.401 1.746 40 0 CDABRO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)N3CCCC3)C2)C1 ZINC000585103050 342212654 /nfs/dbraw/zinc/21/26/54/342212654.db2.gz ONSQJUZVBCNTRW-AWEZNQCLSA-N 1 0 295.427 1.635 40 0 CDABRO CC(C)[NH+]1CCC(c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000585180133 342232593 /nfs/dbraw/zinc/23/25/93/342232593.db2.gz KJOJAJDGENYBQR-UHFFFAOYSA-N 1 0 287.367 1.416 40 0 CDABRO Cc1cc(OC[C@@]2(CC(N)=O)C[NH2+]CCO2)ccc1Cl ZINC000585271757 342255843 /nfs/dbraw/zinc/25/58/43/342255843.db2.gz HFBRVLKSBXORRJ-CQSZACIVSA-N 1 0 298.770 1.261 40 0 CDABRO O=C(NOCc1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000167124472 342343948 /nfs/dbraw/zinc/34/39/48/342343948.db2.gz USPBNPOHJDYUMU-UHFFFAOYSA-N 1 0 290.367 1.250 40 0 CDABRO CC[N@@H+]1C[C@H]2C[C@@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000249685652 362218849 /nfs/dbraw/zinc/21/88/49/362218849.db2.gz FZLPDGULWQAWHH-JHJVBQTASA-N 1 0 261.325 1.129 40 0 CDABRO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCC[NH+](C)C ZINC000013596004 348736172 /nfs/dbraw/zinc/73/61/72/348736172.db2.gz WSCHOYQCXDJCKP-OAHLLOKOSA-N 1 0 294.395 1.921 40 0 CDABRO NC(=O)c1sc2ncccc2c1[C@H]1CCC[NH2+]C1 ZINC000205688817 348744152 /nfs/dbraw/zinc/74/41/52/348744152.db2.gz QYFCXGTWTYMTLJ-QMMMGPOBSA-N 1 0 261.350 1.862 40 0 CDABRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccn2ccnc2c1 ZINC000333653537 363078837 /nfs/dbraw/zinc/07/88/37/363078837.db2.gz ZKAFZQVAFWQBMU-VXGBXAGGSA-N 1 0 273.340 1.726 40 0 CDABRO Fc1cccnc1OC[C@]12CCCO[C@@H]1CC[NH2+]C2 ZINC000306125847 283032426 /nfs/dbraw/zinc/03/24/26/283032426.db2.gz DDQCHXUZIZJUJB-TZMCWYRMSA-N 1 0 266.316 1.758 40 0 CDABRO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000001475575 355937799 /nfs/dbraw/zinc/93/77/99/355937799.db2.gz BEARVAYTPVGXCM-AWEZNQCLSA-N 1 0 263.337 1.725 40 0 CDABRO Cn1cc2c(n1)nc(N1CC[NH2+]CC1)cc2C(F)(F)F ZINC000012398891 356298022 /nfs/dbraw/zinc/29/80/22/356298022.db2.gz DKVLXSSYLAOINV-UHFFFAOYSA-N 1 0 285.273 1.397 40 0 CDABRO NC(=O)[C@H](C[NH2+]Cc1ccccc1)NCc1ccccc1 ZINC000019365573 356483183 /nfs/dbraw/zinc/48/31/83/356483183.db2.gz HQQKBDUBEMNPQX-INIZCTEOSA-N 1 0 283.375 1.420 40 0 CDABRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000019527287 356490667 /nfs/dbraw/zinc/49/06/67/356490667.db2.gz INMVWTHYUPKDFG-NSHDSACASA-N 1 0 276.384 1.503 40 0 CDABRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC000019527288 356490846 /nfs/dbraw/zinc/49/08/46/356490846.db2.gz CHGXFUTUWXSWOM-GFCCVEGCSA-N 1 0 276.384 1.891 40 0 CDABRO CSCC[C@H]([NH3+])c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019573942 356492678 /nfs/dbraw/zinc/49/26/78/356492678.db2.gz YRSJSLQNZROEJX-JTQLQIEISA-N 1 0 276.365 1.585 40 0 CDABRO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCN(CCO)C1 ZINC000079414253 356993593 /nfs/dbraw/zinc/99/35/93/356993593.db2.gz RWTSLPHCOFWTFX-MRXNPFEDSA-N 1 0 262.397 1.964 40 0 CDABRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415184 356993711 /nfs/dbraw/zinc/99/37/11/356993711.db2.gz BNOOOCKULLHMKA-AWEZNQCLSA-N 1 0 261.369 1.068 40 0 CDABRO CC(=O)N(C(C)C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079418070 356995570 /nfs/dbraw/zinc/99/55/70/356995570.db2.gz BLVZRGWIGXNXEM-KFWWJZLASA-N 1 0 297.443 1.654 40 0 CDABRO CNc1nccnc1[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000072364348 357830898 /nfs/dbraw/zinc/83/08/98/357830898.db2.gz TWNURECLJDDFOV-LBPRGKRZSA-N 1 0 262.357 1.834 40 0 CDABRO Cc1cc(N2CCOCC2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072364844 357830909 /nfs/dbraw/zinc/83/09/09/357830909.db2.gz FAUZZLBCIIJCFN-CYBMUJFWSA-N 1 0 276.384 1.431 40 0 CDABRO CS[C@H]1c2ccccc2N[C@@H]1CC[NH2+]CCO ZINC000003159363 358515565 /nfs/dbraw/zinc/51/55/65/358515565.db2.gz QNRFQQVZDARXBO-OLZOCXBDSA-N 1 0 252.383 1.857 40 0 CDABRO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC000096157656 358710244 /nfs/dbraw/zinc/71/02/44/358710244.db2.gz HEJRVRVDYDJYGP-UHFFFAOYSA-N 1 0 288.395 1.813 40 0 CDABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc[nH]1 ZINC000096184292 358713867 /nfs/dbraw/zinc/71/38/67/358713867.db2.gz ZESJHYZAYBGDEX-UONOGXRCSA-N 1 0 261.369 1.960 40 0 CDABRO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000096184484 358714022 /nfs/dbraw/zinc/71/40/22/358714022.db2.gz RDNXXGZPRAESEZ-KGLIPLIRSA-N 1 0 280.393 1.295 40 0 CDABRO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCc1ccccc1 ZINC000096184511 358714274 /nfs/dbraw/zinc/71/42/74/358714274.db2.gz GCXHHOZWPAPRQG-CABCVRRESA-N 1 0 294.420 1.337 40 0 CDABRO c1c(C[NH+]2CCCC2)nc2n1CCN(Cc1ccncc1)C2 ZINC000096197220 358716455 /nfs/dbraw/zinc/71/64/55/358716455.db2.gz KFWPLOUUGOOEAF-UHFFFAOYSA-N 1 0 297.406 1.890 40 0 CDABRO C[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)Cc1cccs1)C2 ZINC000096201946 358719467 /nfs/dbraw/zinc/71/94/67/358719467.db2.gz ASLODNBODIZTSV-HNNXBMFYSA-N 1 0 294.420 1.471 40 0 CDABRO FCCN1CC[C@]2(C1)CCCN(c1nncs1)C2 ZINC000096217212 358721411 /nfs/dbraw/zinc/72/14/11/358721411.db2.gz YFBPMUWSVSIPHU-LBPRGKRZSA-N 1 0 270.377 1.800 40 0 CDABRO c1ccc(OCc2nnc3n2CC[N@@H+](CC2CC2)CC3)nc1 ZINC000096259200 358728998 /nfs/dbraw/zinc/72/89/98/358728998.db2.gz PHENBLIUJNVFMQ-UHFFFAOYSA-N 1 0 299.378 1.520 40 0 CDABRO O=C1C[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000096268837 358730330 /nfs/dbraw/zinc/73/03/30/358730330.db2.gz BNNQVQXDHNXBLR-HNNXBMFYSA-N 1 0 292.766 1.969 40 0 CDABRO Cc1noc(C)c1NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000096268194 358730962 /nfs/dbraw/zinc/73/09/62/358730962.db2.gz AMIJZNISOMRRMO-CYBMUJFWSA-N 1 0 278.312 1.128 40 0 CDABRO CCCC[C@@]1(C(=O)OCC)C[C@@H](SC(N)=[NH2+])OC1=O ZINC000013635320 366498086 /nfs/dbraw/zinc/49/80/86/366498086.db2.gz VQUJWEPUDFTPCU-PELKAZGASA-N 1 0 288.369 1.626 40 0 CDABRO CSc1nc(Cl)cc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000072203128 359048255 /nfs/dbraw/zinc/04/82/55/359048255.db2.gz JECOHUSHZFYSKH-ZETCQYMHSA-N 1 0 258.778 1.650 40 0 CDABRO CCCNC(=O)c1ccc(N2CC[NH+](C)CC2)c(N)c1 ZINC000225439348 359589838 /nfs/dbraw/zinc/58/98/38/359589838.db2.gz XEYAFQLKUXVSRI-UHFFFAOYSA-N 1 0 276.384 1.160 40 0 CDABRO O=C([C@@H]1CCO[C@@H]2CC[N@@H+](C3CCC3)C[C@H]21)N1CCCO1 ZINC000096043398 296039036 /nfs/dbraw/zinc/03/90/36/296039036.db2.gz FJVHLBKZBMQWRM-QLFBSQMISA-N 1 0 294.395 1.430 40 0 CDABRO Cc1ccc(NC(=O)CSC2=[NH+]CCN2)c(C)c1 ZINC000026508925 370717978 /nfs/dbraw/zinc/71/79/78/370717978.db2.gz VRDMUUCIXOMOFP-UHFFFAOYSA-N 1 0 263.366 1.934 40 0 CDABRO CCCc1nnc([C@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000049170317 373982166 /nfs/dbraw/zinc/98/21/66/373982166.db2.gz QJKPEHBKWYVQAZ-LBPRGKRZSA-N 1 0 278.400 1.906 40 0 biogenic,in-vitro CDABRO Nc1cncnc1[C@H]1CN(Cc2ccccc2)CCO1 ZINC000306128439 374967664 /nfs/dbraw/zinc/96/76/64/374967664.db2.gz HAJOGZNEFHADMT-CQSZACIVSA-N 1 0 270.336 1.632 40 0 CDABRO c1cc2n(n1)[C@@H](C[NH+]1CCCC1)CN(Cc1ccncc1)C2 ZINC000306129184 374967789 /nfs/dbraw/zinc/96/77/89/374967789.db2.gz HWUUHGJWCAHOET-KRWDZBQOSA-N 1 0 297.406 1.931 40 0 CDABRO C[C@H]1C[NH2+]CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC000306141704 374972057 /nfs/dbraw/zinc/97/20/57/374972057.db2.gz WEHHGDMMOQMIKQ-CORIIIEPSA-N 1 0 275.352 1.567 40 0 CDABRO Cc1nc(COC[C@H]2C[NH2+]Cc3ccnn3C2)cs1 ZINC000306143515 374972844 /nfs/dbraw/zinc/97/28/44/374972844.db2.gz YEKCCRBKRUTUDM-NSHDSACASA-N 1 0 278.381 1.584 40 0 CDABRO C[C@H](NCCC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000230024290 375299221 /nfs/dbraw/zinc/29/92/21/375299221.db2.gz CXABUZLGGVHQRG-MJBXVCDLSA-N 1 0 269.433 1.706 40 0 CDABRO C[C@@H](Cc1ccccc1)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000132263920 375430022 /nfs/dbraw/zinc/43/00/22/375430022.db2.gz AWVJPKFHLGAVTO-JSGCOSHPSA-N 1 0 262.353 1.051 40 0 CDABRO CCn1cc(C[NH2+]Cc2ccnn2CCF)c(C)n1 ZINC000256054293 190005610 /nfs/dbraw/zinc/00/56/10/190005610.db2.gz VTCYOMFBLPYCDZ-UHFFFAOYSA-N 1 0 265.336 1.667 40 0 CDABRO Cn1cc(-c2nccnc2C[C@H]2CCC[NH2+]C2)cn1 ZINC000257231392 190015872 /nfs/dbraw/zinc/01/58/72/190015872.db2.gz GGNCFAHNVUTQMG-LLVKDONJSA-N 1 0 257.341 1.419 40 0 CDABRO COC(C)(C)C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@@H+]2C ZINC000257218173 190014095 /nfs/dbraw/zinc/01/40/95/190014095.db2.gz DCDKPWZPKKIKQJ-JFILPPLUSA-N 1 0 280.412 1.885 40 0 CDABRO CNC(=O)c1cc(C[C@@H]2CCC[N@H+](C)C2)nc(C)n1 ZINC000257247380 190019207 /nfs/dbraw/zinc/01/92/07/190019207.db2.gz IYTRDNOHYJSUFS-NSHDSACASA-N 1 0 262.357 1.029 40 0 CDABRO Cn1nccc1C(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12 ZINC000257248305 190020061 /nfs/dbraw/zinc/02/00/61/190020061.db2.gz JDAXNDFSEPKWLS-OCCSQVGLSA-N 1 0 262.357 1.167 40 0 CDABRO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257266618 190023161 /nfs/dbraw/zinc/02/31/61/190023161.db2.gz MDSSHVGJYIIBEI-CQSZACIVSA-N 1 0 298.394 1.631 40 0 CDABRO OC1(C[NH+]2CCC(Cc3ccccn3)CC2)CCOCC1 ZINC000257289299 190028015 /nfs/dbraw/zinc/02/80/15/190028015.db2.gz PXZSSQTWUTWLNS-UHFFFAOYSA-N 1 0 290.407 1.878 40 0 CDABRO C[NH+]1CCC(Cc2cncc(-c3ncc[nH]3)n2)CC1 ZINC000257296755 190028267 /nfs/dbraw/zinc/02/82/67/190028267.db2.gz REGOGFBJNSPUBC-UHFFFAOYSA-N 1 0 257.341 1.751 40 0 CDABRO Cn1cncc1-c1cncc(C2CC[NH+](C)CC2)n1 ZINC000257306223 190031235 /nfs/dbraw/zinc/03/12/35/190031235.db2.gz STJFFFICHPQKAG-UHFFFAOYSA-N 1 0 257.341 1.686 40 0 CDABRO C[NH+]1CCC(c2ccnc(Nc3cnccn3)n2)CC1 ZINC000257336484 190036432 /nfs/dbraw/zinc/03/64/32/190036432.db2.gz YORIGDTVOBVXNB-UHFFFAOYSA-N 1 0 270.340 1.819 40 0 CDABRO [NH3+]CCN1C(=O)O[C@H](c2ccc(Cl)cc2)C1=O ZINC000039320058 184545578 /nfs/dbraw/zinc/54/55/78/184545578.db2.gz OJRLTIOKXKWFAO-SECBINFHSA-N 1 0 254.673 1.319 40 0 CDABRO COC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)[NH2+]2 ZINC000265540574 291937070 /nfs/dbraw/zinc/93/70/70/291937070.db2.gz GLTXOTSBWAISRB-JGPRNRPPSA-N 1 0 284.356 1.147 40 0 CDABRO Cc1cccn2cc(C(=O)N[C@H](C)C[NH+]3CCCC3)nc12 ZINC000019718775 390228881 /nfs/dbraw/zinc/22/88/81/390228881.db2.gz PBMVFEZRJBTMHD-CYBMUJFWSA-N 1 0 286.379 1.857 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391239 390421580 /nfs/dbraw/zinc/42/15/80/390421580.db2.gz IZAAUNCPESBDRQ-SDDRHHMPSA-N 1 0 299.415 1.628 40 0 CDABRO CN1C(=O)C(c2ccc(F)cc2)=NC12CC[NH2+]CC2 ZINC000096516436 390533899 /nfs/dbraw/zinc/53/38/99/390533899.db2.gz KTTASEINPOERAQ-UHFFFAOYSA-N 1 0 261.300 1.167 40 0 CDABRO Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1[C@H](C)O ZINC000072223706 390624138 /nfs/dbraw/zinc/62/41/38/390624138.db2.gz SQEDWHSCBMRIAE-ZDUSSCGKSA-N 1 0 263.385 1.974 40 0 CDABRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)NC(N)=O ZINC000048580989 391478532 /nfs/dbraw/zinc/47/85/32/391478532.db2.gz NRUNZICSOXYPCE-VIFPVBQESA-N 1 0 283.759 1.918 40 0 CDABRO [NH3+][C@@H]1CCCN(c2cccc(Br)n2)C1 ZINC000040434961 391979530 /nfs/dbraw/zinc/97/95/30/391979530.db2.gz HHZISYJKYGHSPV-MRVPVSSYSA-N 1 0 256.147 1.772 40 0 CDABRO CS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1C[NH3+] ZINC000218513756 130769220 /nfs/dbraw/zinc/76/92/20/130769220.db2.gz PMYFSPNGJWZBLC-OUAUKWLOSA-N 1 0 259.758 1.425 40 0 CDABRO CC[NH+](CC)CCNCc1cnc(NC(C)C)nc1 ZINC000062718441 392804468 /nfs/dbraw/zinc/80/44/68/392804468.db2.gz HACYRKXVLHIYLY-UHFFFAOYSA-N 1 0 265.405 1.728 40 0 CDABRO COC(=O)c1ccccc1OCCCN1CC[NH+](C)CC1 ZINC000019360085 170776825 /nfs/dbraw/zinc/77/68/25/170776825.db2.gz SRXIICZWAHSHOR-UHFFFAOYSA-N 1 0 292.379 1.490 40 0 CDABRO NC(=O)c1cc2ccccc2nc1[C@H]1CCC[NH2+]C1 ZINC000019376219 170778466 /nfs/dbraw/zinc/77/84/66/170778466.db2.gz IXKCMSLOXNBRBH-NSHDSACASA-N 1 0 255.321 1.801 40 0 CDABRO COc1ccc(OC)c(NC(=O)C2CC[NH2+]CC2)c1 ZINC000019410928 170789696 /nfs/dbraw/zinc/78/96/96/170789696.db2.gz MFEZZRKJZOSCBK-UHFFFAOYSA-N 1 0 264.325 1.642 40 0 CDABRO [NH3+]CCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12 ZINC000022057192 171351317 /nfs/dbraw/zinc/35/13/17/171351317.db2.gz NKOBWHOGNBPTDO-LLVKDONJSA-N 1 0 259.309 1.524 40 0 world CDABRO CN(C)CC[NH2+]CC(=O)N[C@]1(C)[C@H]2CC[C@H](C2)C1(C)C ZINC000022587058 171392890 /nfs/dbraw/zinc/39/28/90/171392890.db2.gz DIHCJCFCGAWNMT-DVOMOZLQSA-N 1 0 281.444 1.469 40 0 CDABRO CC[NH+]1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000022585860 171393406 /nfs/dbraw/zinc/39/34/06/171393406.db2.gz DCQPDLBMUZTWCS-UHFFFAOYSA-N 1 0 279.359 1.079 40 0 CDABRO C[NH+](C)CCCNC(=O)c1nnsc1-c1ccccc1 ZINC000072239973 176347976 /nfs/dbraw/zinc/34/79/76/176347976.db2.gz OKFFSCVVMQJFED-UHFFFAOYSA-N 1 0 290.392 1.887 40 0 CDABRO CCc1nccn1-c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000072355918 176375734 /nfs/dbraw/zinc/37/57/34/176375734.db2.gz XMPRFQRJFRSRIZ-LLVKDONJSA-N 1 0 257.341 1.692 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358297 176376100 /nfs/dbraw/zinc/37/61/00/176376100.db2.gz JAAOLXJDUMLUCX-CYBMUJFWSA-N 1 0 289.379 1.363 40 0 CDABRO Cc1ccc([C@]2(O)CC[N@@H+](Cc3cnn(C)c3)C2)cc1 ZINC000072367985 176382770 /nfs/dbraw/zinc/38/27/70/176382770.db2.gz ODOKWTJOKSCPHS-INIZCTEOSA-N 1 0 271.364 1.822 40 0 CDABRO CCCNC(=O)c1cc(C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072369325 176384274 /nfs/dbraw/zinc/38/42/74/176384274.db2.gz UDGWTYGZXKYUIM-GFCCVEGCSA-N 1 0 276.384 1.734 40 0 CDABRO Cc1nc(NC2CCOCC2)cc([C@H]2C[NH2+]CCO2)n1 ZINC000072386970 176392500 /nfs/dbraw/zinc/39/25/00/176392500.db2.gz ZGQFXJFQNDFPPN-CYBMUJFWSA-N 1 0 278.356 1.037 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1CCc1ccccc1 ZINC000072397560 176394992 /nfs/dbraw/zinc/39/49/92/176394992.db2.gz XRIKRUOILXDREA-NUEKZKHPSA-N 1 0 260.381 1.368 40 0 CDABRO COc1ncc(CN(C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000072398255 176396630 /nfs/dbraw/zinc/39/66/30/176396630.db2.gz JCAOORRYJGQHRP-UHFFFAOYSA-N 1 0 278.400 1.790 40 0 CDABRO O=C(CN(Cc1ccno1)C[C@H]1CCCO1)N1CCCC1 ZINC000072828996 260164376 /nfs/dbraw/zinc/16/43/76/260164376.db2.gz CLZWAVLLYYOYDS-CYBMUJFWSA-N 1 0 293.367 1.278 40 0 CDABRO CC[C@@H]([NH3+])C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000152908017 323211585 /nfs/dbraw/zinc/21/15/85/323211585.db2.gz HXWUXXZBYJFKTF-MRVPVSSYSA-N 1 0 278.278 1.135 40 0 CDABRO [NH3+]CCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673134 482494324 /nfs/dbraw/zinc/49/43/24/482494324.db2.gz GZAQCGOPKDVRDH-UHFFFAOYSA-N 1 0 284.168 1.016 40 0 CDABRO Cc1ccoc1C(=O)N1C[C@H]2OC[C@@H](C[NH+](C)C)[C@H]2C1 ZINC000575404665 342451738 /nfs/dbraw/zinc/45/17/38/342451738.db2.gz TVVJNYODXZLFLI-JHJVBQTASA-N 1 0 278.352 1.237 40 0 CDABRO O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096053808 185075771 /nfs/dbraw/zinc/07/57/71/185075771.db2.gz XMBFHTKSEWIBNU-KBPBESRZSA-N 1 0 297.358 1.879 40 0 CDABRO COC(C)(C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000170962549 361929974 /nfs/dbraw/zinc/92/99/74/361929974.db2.gz QXYMUYGTVGEABA-UHFFFAOYSA-N 1 0 280.368 1.991 40 0 CDABRO CC[NH+](CC)C[C@@H]1CN(C(=O)CC2CC2)Cc2ccnn21 ZINC000585095174 342211302 /nfs/dbraw/zinc/21/13/02/342211302.db2.gz IACZPSDMHQHTIH-OAHLLOKOSA-N 1 0 290.411 1.908 40 0 CDABRO c1cc2n(n1)CC[C@@H](COc1cnccn1)[N@@H+](CC1CC1)C2 ZINC000585098166 342211733 /nfs/dbraw/zinc/21/17/33/342211733.db2.gz VLJOFWMKEWSZPS-HNNXBMFYSA-N 1 0 299.378 1.736 40 0 CDABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)CC(C)C)C2)C1 ZINC000585103515 342212685 /nfs/dbraw/zinc/21/26/85/342212685.db2.gz XKCGQSMDFNEAQW-CQSZACIVSA-N 1 0 282.428 1.992 40 0 CDABRO C[NH+](C)CC(=O)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585274891 342256000 /nfs/dbraw/zinc/25/60/00/342256000.db2.gz QWGCYZWXBUEPBV-UKRRQHHQSA-N 1 0 294.370 1.139 40 0 CDABRO CNC(=O)C[C@@]1(COC)CCC[N@@H+]1Cc1ncccc1F ZINC000585276771 342256349 /nfs/dbraw/zinc/25/63/49/342256349.db2.gz IOWDUQKENUIWSW-OAHLLOKOSA-N 1 0 295.358 1.338 40 0 CDABRO CN(C)C(=O)C[C@]1(O)COCC[N@H+](CC2CCCCC2)C1 ZINC000585280211 342257181 /nfs/dbraw/zinc/25/71/81/342257181.db2.gz ZYWDBIZLAQUAGI-MRXNPFEDSA-N 1 0 298.427 1.108 40 0 CDABRO CC1(C)C[N@H+](C[C@H](O)Cn2cccn2)[C@@H]1[C@H]1CCCO1 ZINC000329856529 362073685 /nfs/dbraw/zinc/07/36/85/362073685.db2.gz UWQIHDXGDOXTNC-BFHYXJOUSA-N 1 0 279.384 1.133 40 0 CDABRO C[NH+](C)Cc1cncc2c1CCN(C(=O)c1ccnnc1)C2 ZINC000248082544 362148831 /nfs/dbraw/zinc/14/88/31/362148831.db2.gz CYOXSIROAZXTKW-UHFFFAOYSA-N 1 0 297.362 1.132 40 0 CDABRO COC(=O)[C@H]1CCCCC[C@H]1[NH2+]Cc1nncn1C ZINC000162451354 342436853 /nfs/dbraw/zinc/43/68/53/342436853.db2.gz NOPBUMJJSUYNKX-WDEREUQCSA-N 1 0 266.345 1.027 40 0 CDABRO CCOC(=O)C1=C(C)NC(=[NH2+])N[C@@H]1c1ccc(OC)cc1 ZINC000006154382 348728972 /nfs/dbraw/zinc/72/89/72/348728972.db2.gz RSZOOLLBPUGRDR-CYBMUJFWSA-N 1 0 289.335 1.701 40 0 CDABRO C[C@H](C[NH2+]C1CCC2(CC1)OCCO2)CN1CCOCC1 ZINC000155937234 351428107 /nfs/dbraw/zinc/42/81/07/351428107.db2.gz ZRKWEBQZZDLLQJ-CQSZACIVSA-N 1 0 298.427 1.230 40 0 CDABRO CO[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000154280573 188133530 /nfs/dbraw/zinc/13/35/30/188133530.db2.gz RUIVMNUILOZVJK-KBPBESRZSA-N 1 0 262.353 1.194 40 0 CDABRO CC(=O)c1ccc[n+](Cc2ccc3c(c2)OCO3)c1 ZINC000001719777 355949763 /nfs/dbraw/zinc/94/97/63/355949763.db2.gz LIUXKLOUQCGKFR-UHFFFAOYSA-N 1 0 256.281 1.954 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1F ZINC000004497874 356032431 /nfs/dbraw/zinc/03/24/31/356032431.db2.gz RVOVRCWOQVWGCP-NSHDSACASA-N 1 0 293.342 1.365 40 0 CDABRO [NH3+]CCN1C(=O)O[C@@H](c2ccccc2Cl)C1=O ZINC000039320068 356972038 /nfs/dbraw/zinc/97/20/38/356972038.db2.gz HBJNCPSXXKVPGQ-VIFPVBQESA-N 1 0 254.673 1.319 40 0 CDABRO CC[N@H+](CCO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391666 356988647 /nfs/dbraw/zinc/98/86/47/356988647.db2.gz ZVVXLQXDMAQQGH-OAHLLOKOSA-N 1 0 292.379 1.712 40 0 CDABRO [NH3+]CCN1CCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000079411364 356993321 /nfs/dbraw/zinc/99/33/21/356993321.db2.gz XVMFEABJNQHHHT-CQSZACIVSA-N 1 0 277.368 1.336 40 0 CDABRO COc1cccc(C(=O)NCCC[NH+](C)C)c1OC ZINC000047652834 357162103 /nfs/dbraw/zinc/16/21/03/357162103.db2.gz FGQXVBCABUNVTK-UHFFFAOYSA-N 1 0 266.341 1.385 40 0 CDABRO Cn1c(N)[n+](CC(=O)c2cccs2)c2ccccc21 ZINC000013777879 357323810 /nfs/dbraw/zinc/32/38/10/357323810.db2.gz KGOAHDHMLCSFNQ-UHFFFAOYSA-O 1 0 272.353 1.992 40 0 CDABRO C[C@@H]1CN(C(=O)c2ccccc2Br)CC[NH2+]1 ZINC000062672187 357478679 /nfs/dbraw/zinc/47/86/79/357478679.db2.gz MMZVEHNATUEDIQ-SECBINFHSA-N 1 0 283.169 1.883 40 0 CDABRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000062672185 357479470 /nfs/dbraw/zinc/47/94/70/357479470.db2.gz CGTNGWQNINLROZ-SECBINFHSA-N 1 0 283.169 1.883 40 0 CDABRO CO[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089223634 357489405 /nfs/dbraw/zinc/48/94/05/357489405.db2.gz HCUGBUFSXPXVQD-VXGBXAGGSA-N 1 0 272.389 1.868 40 0 CDABRO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC000199768541 358092160 /nfs/dbraw/zinc/09/21/60/358092160.db2.gz ZNVBVBJFGYWTQJ-BQBZGAKWSA-N 1 0 254.252 1.743 40 0 CDABRO O=C(COc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932747 358612173 /nfs/dbraw/zinc/61/21/73/358612173.db2.gz DXGYHRYOWBFUIE-ZDUSSCGKSA-N 1 0 260.337 1.372 40 0 CDABRO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C(=O)CCCC[C@H]21 ZINC000095951500 358704596 /nfs/dbraw/zinc/70/45/96/358704596.db2.gz SIHSXNRSSWYSFM-SDDRHHMPSA-N 1 0 253.342 1.772 40 0 CDABRO O=C1CO[C@@H]2CN(Cc3ccsc3)C[C@H]2N1CC1CC1 ZINC000096054254 358707131 /nfs/dbraw/zinc/70/71/31/358707131.db2.gz ZCXQJCCLGGLMSC-ZIAGYGMSSA-N 1 0 292.404 1.570 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096185768 358714231 /nfs/dbraw/zinc/71/42/31/358714231.db2.gz JVFDTYLMZVMEIV-NFAWXSAZSA-N 1 0 294.420 1.611 40 0 CDABRO COc1ncccc1C[N@@H+]1CC[C@H](O)[C@@H]1Cc1cccnc1 ZINC000096200437 358717975 /nfs/dbraw/zinc/71/79/75/358717975.db2.gz YRDPATLKJKOEKE-HOTGVXAUSA-N 1 0 299.374 1.663 40 0 CDABRO Cc1nc(CN2C[C@@H]3C[N@H+](CC4CC4)C[C@@H]3C2=O)cs1 ZINC000096245096 358724655 /nfs/dbraw/zinc/72/46/55/358724655.db2.gz FWZMMQPGKVTTLQ-JSGCOSHPSA-N 1 0 291.420 1.752 40 0 CDABRO CC[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncc(F)cn1 ZINC000096248859 358726593 /nfs/dbraw/zinc/72/65/93/358726593.db2.gz XGFKDQCTOILSOP-UHTWSYAYSA-N 1 0 280.347 1.304 40 0 CDABRO C[NH+]1CCC(NC(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000224501972 359511848 /nfs/dbraw/zinc/51/18/48/359511848.db2.gz HCJJFZXCBHZQIG-UHFFFAOYSA-N 1 0 298.390 1.755 40 0 CDABRO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1(CC)CC ZINC000095408397 360582548 /nfs/dbraw/zinc/58/25/48/360582548.db2.gz PUUCDHAYXHDYSL-AGIUHOORSA-N 1 0 268.401 1.791 40 0 CDABRO Cn1cnc2c1[C@H](COCc1cccnc1)C[NH2+]C2 ZINC000306134651 367315069 /nfs/dbraw/zinc/31/50/69/367315069.db2.gz NUKOYRZHHXJUAA-LBPRGKRZSA-N 1 0 258.325 1.219 40 0 CDABRO CN(C(=O)[C@@H]1CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161560566 374243258 /nfs/dbraw/zinc/24/32/58/374243258.db2.gz HOGCXHATFAKDKR-WPXGONGXSA-N 1 0 277.195 1.922 40 0 CDABRO COc1cccc(SCC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000079065128 374766302 /nfs/dbraw/zinc/76/63/02/374766302.db2.gz MAEREYDEDLJRSQ-GFCCVEGCSA-N 1 0 294.420 1.998 40 0 CDABRO Cc1nc(CO[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)cs1 ZINC000306133752 374969726 /nfs/dbraw/zinc/96/97/26/374969726.db2.gz MUWLEWFQRLRQGV-QJPTWQEYSA-N 1 0 254.355 1.488 40 0 CDABRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000225594243 375170687 /nfs/dbraw/zinc/17/06/87/375170687.db2.gz NWJDVEZWBDMOQV-CYBMUJFWSA-N 1 0 288.457 1.970 40 0 CDABRO Cc1c[nH]nc1[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000257203548 190011817 /nfs/dbraw/zinc/01/18/17/190011817.db2.gz AQOHHGOIULIGBR-CYBMUJFWSA-N 1 0 276.384 1.376 40 0 CDABRO CC(=O)NC1CCC([NH2+]C[C@@](C)(O)c2ccc(C)o2)CC1 ZINC000133064992 375680271 /nfs/dbraw/zinc/68/02/71/375680271.db2.gz UWJVGGLTLMTQPI-ZBCRRDGASA-N 1 0 294.395 1.832 40 0 CDABRO Cn1nccc1C(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257214510 190013336 /nfs/dbraw/zinc/01/33/36/190013336.db2.gz CMFVJXVCQUHKJO-ZFWWWQNUSA-N 1 0 276.384 1.509 40 0 CDABRO COCCOCC(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257236330 190017718 /nfs/dbraw/zinc/01/77/18/190017718.db2.gz HBQGDMNJYCKDMP-ZFWWWQNUSA-N 1 0 284.400 1.173 40 0 CDABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1c[nH]cn1 ZINC000257250778 190019752 /nfs/dbraw/zinc/01/97/52/190019752.db2.gz JNYXUSMPOBVMTE-AWEZNQCLSA-N 1 0 272.352 1.565 40 0 CDABRO CCCn1nccc1-c1cncc(C[C@H]2CC[NH2+]C2)n1 ZINC000257250810 190019853 /nfs/dbraw/zinc/01/98/53/190019853.db2.gz JOCIXQKBRUDXPX-GFCCVEGCSA-N 1 0 271.368 1.902 40 0 CDABRO Cc1cc(-c2ccnn2C)nc(CC2CC[NH2+]CC2)n1 ZINC000257252002 190020344 /nfs/dbraw/zinc/02/03/44/190020344.db2.gz JTEKPQQHUHUVFB-UHFFFAOYSA-N 1 0 271.368 1.728 40 0 CDABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3ccncn3)CCC[C@@]21C ZINC000257272516 190024069 /nfs/dbraw/zinc/02/40/69/190024069.db2.gz NCRLPACJCXHYQH-HOCLYGCPSA-N 1 0 288.395 1.956 40 0 CDABRO [NH3+][C@@H]1CC[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257259866 190022057 /nfs/dbraw/zinc/02/20/57/190022057.db2.gz LAIWMUQTIOOBLU-WCVJEAGWSA-N 1 0 291.395 1.166 40 0 CDABRO NC(=O)c1cccc(-c2cccc([C@H]3C[NH2+]CCO3)n2)c1 ZINC000257262594 190022258 /nfs/dbraw/zinc/02/22/58/190022258.db2.gz LMALGZSDGQKNON-OAHLLOKOSA-N 1 0 283.331 1.508 40 0 CDABRO CNC(=O)c1cc(C[C@@H]2CCC[N@@H+](C(C)C)C2)nc(C)n1 ZINC000257273077 190025082 /nfs/dbraw/zinc/02/50/82/190025082.db2.gz NFDTVGIPQZKNLA-ZDUSSCGKSA-N 1 0 290.411 1.808 40 0 CDABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257292181 190027810 /nfs/dbraw/zinc/02/78/10/190027810.db2.gz QKIMQGUPWBRTAM-ZDUSSCGKSA-N 1 0 276.384 1.287 40 0 CDABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)Cn3cccn3)CCC[C@@]21C ZINC000257315085 190032907 /nfs/dbraw/zinc/03/29/07/190032907.db2.gz UZVSOIYAILVXQS-HOCLYGCPSA-N 1 0 290.411 1.749 40 0 CDABRO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[NH2+]CC2 ZINC000238801069 376014615 /nfs/dbraw/zinc/01/46/15/376014615.db2.gz XNWFUTXQCYIPOV-HZMBPMFUSA-N 1 0 284.356 1.149 40 0 CDABRO CO[C@H]1CC=C2CC[N@@H+]3CCC4=C(CC(=O)OC4)[C@@]23C1 ZINC000053194077 376962875 /nfs/dbraw/zinc/96/28/75/376962875.db2.gz ALSKYCOJJPXPFS-XJKSGUPXSA-N 1 0 275.348 1.813 40 0 in-vitro CDABRO COCc1cc(CC2([NH2+]CC3CC3)COC2)no1 ZINC000067898000 377286661 /nfs/dbraw/zinc/28/66/61/377286661.db2.gz LGNKLGZDADXLGM-UHFFFAOYSA-N 1 0 252.314 1.132 40 0 biogenic,in-vitro CDABRO Cc1nn(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000002776606 378053640 /nfs/dbraw/zinc/05/36/40/378053640.db2.gz ZSDQQBADYBLHBK-NSHDSACASA-N 1 0 282.775 1.152 40 0 CDABRO CC(=O)N1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216275 256710689 /nfs/dbraw/zinc/71/06/89/256710689.db2.gz RSBMVDBDABBPHB-CQSZACIVSA-N 1 0 274.368 1.175 40 0 CDABRO [NH3+]CCn1ccn2nc(-c3cccc(F)c3)cc2c1=O ZINC000096517333 390532536 /nfs/dbraw/zinc/53/25/36/390532536.db2.gz VIYVZWJNSJHUHD-UHFFFAOYSA-N 1 0 272.283 1.261 40 0 CDABRO CCN1C(=O)[C@H](N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000096526073 390540892 /nfs/dbraw/zinc/54/08/92/390540892.db2.gz FFVTWRQYJMZTKR-NXEZZACHSA-N 1 0 258.243 1.936 40 0 CDABRO CC[C@@H]([NH3+])c1ccc(N2CCN(C=O)CC2)nc1C ZINC000072224733 390624740 /nfs/dbraw/zinc/62/47/40/390624740.db2.gz GKPPLOHJAQMIBI-CYBMUJFWSA-N 1 0 262.357 1.078 40 0 CDABRO Cc1cccc(N2C(=O)C[C@]3(CCC[NH2+]C3)C2=O)c1 ZINC000096157213 390913288 /nfs/dbraw/zinc/91/32/88/390913288.db2.gz PCKPFEMKIOBUEW-HNNXBMFYSA-N 1 0 258.321 1.628 40 0 CDABRO Nc1nc2c(c(N3CC[C@H]([NH3+])C3)n1)CCCc1ccccc1-2 ZINC000208215318 391519901 /nfs/dbraw/zinc/51/99/01/391519901.db2.gz SDTRYHWIXVHTLM-LBPRGKRZSA-N 1 0 295.390 1.752 40 0 CDABRO CN1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257328031 391650024 /nfs/dbraw/zinc/65/00/24/391650024.db2.gz XDVHZWGKMZBYKV-CQSZACIVSA-N 1 0 260.341 1.020 40 0 CDABRO CNC(=O)[C@]1(CCCc2cnccn2)CCCC[NH2+]1 ZINC000072343805 176372271 /nfs/dbraw/zinc/37/22/71/176372271.db2.gz AGCJZRJGDDJWKH-CQSZACIVSA-N 1 0 262.357 1.058 40 0 CDABRO CN(C)C(=O)[C@@]1(CCCc2ccncc2)CCC[NH2+]1 ZINC000072344218 176372826 /nfs/dbraw/zinc/37/28/26/176372826.db2.gz DDGAHZIWGQRYMK-OAHLLOKOSA-N 1 0 261.369 1.615 40 0 CDABRO NC(=O)c1ccccc1Oc1cnc([C@H]2CCC[NH2+]2)cn1 ZINC000072364676 176379615 /nfs/dbraw/zinc/37/96/15/176379615.db2.gz YXMDBVWPYVXLMS-LLVKDONJSA-N 1 0 284.319 1.792 40 0 CDABRO Cc1nc(NCC2CCOCC2)cc([C@H]2C[NH2+]CCO2)n1 ZINC000072386951 176392832 /nfs/dbraw/zinc/39/28/32/176392832.db2.gz XXFCIQNXZCQIJI-CQSZACIVSA-N 1 0 292.383 1.284 40 0 CDABRO CNC(=O)N[C@@H]1CC2(CC[NH2+]CC2)c2cc(C)ccc21 ZINC000096241764 265345922 /nfs/dbraw/zinc/34/59/22/265345922.db2.gz GNCYNVAFLRKGMH-CQSZACIVSA-N 1 0 273.380 1.990 40 0 CDABRO O=C(C[NH+]1CCCCC1)N1CCO[C@H](c2ccccn2)C1 ZINC000072388125 274971742 /nfs/dbraw/zinc/97/17/42/274971742.db2.gz XVFNNYZXJHVWSG-HNNXBMFYSA-N 1 0 289.379 1.467 40 0 CDABRO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2[NH2+]CCC[C@H]21 ZINC000257311903 275475043 /nfs/dbraw/zinc/47/50/43/275475043.db2.gz ULNJUSMIHKUSEN-RBSFLKMASA-N 1 0 262.328 1.892 40 0 CDABRO CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)[NH3+] ZINC000079391248 276138834 /nfs/dbraw/zinc/13/88/34/276138834.db2.gz LSDDOAJZYKUXBC-NWDGAFQWSA-N 1 0 299.415 1.582 40 0 CDABRO CCOC(=O)c1cc2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000090470697 276297645 /nfs/dbraw/zinc/29/76/45/276297645.db2.gz HQUITAKYLCSYBG-UHFFFAOYSA-N 1 0 274.242 1.923 40 0 CDABRO CO[C@H]1CCN(C(=O)c2ccoc2C)[C@@H](C[NH3+])C1 ZINC000161068915 277742593 /nfs/dbraw/zinc/74/25/93/277742593.db2.gz VIJYKZMVWZALFD-MNOVXSKESA-N 1 0 252.314 1.166 40 0 CDABRO O=C(NCC[NH+]1CCCCC1)[C@H]1Cc2cc(F)ccc2O1 ZINC000076958639 279228301 /nfs/dbraw/zinc/22/83/01/279228301.db2.gz GVFWRPIUKRTPPW-OAHLLOKOSA-N 1 0 292.354 1.731 40 0 CDABRO Cn1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000257334344 279359368 /nfs/dbraw/zinc/35/93/68/279359368.db2.gz YFMSKXAMLVNWIO-AWEZNQCLSA-N 1 0 270.336 1.207 40 0 CDABRO CC(C)c1nccn1CCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236824950 280140848 /nfs/dbraw/zinc/14/08/48/280140848.db2.gz VSTUWQYRYRQWTI-CYBMUJFWSA-N 1 0 278.400 1.736 40 0 CDABRO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000019286443 282007259 /nfs/dbraw/zinc/00/72/59/282007259.db2.gz VIURQSZVGLIMPF-UHFFFAOYSA-N 1 0 287.338 1.818 40 0 CDABRO C[N@@H+]1CCN(c2ncccn2)C[C@H]1c1ccccc1 ZINC000248143323 334296013 /nfs/dbraw/zinc/29/60/13/334296013.db2.gz QWJSLMWMTAPIHL-AWEZNQCLSA-N 1 0 254.337 1.970 40 0 CDABRO C[NH+](C)[C@@H]1CN(Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040579 185068661 /nfs/dbraw/zinc/06/86/61/185068661.db2.gz GQWKLBMOEFTVAX-IMJJTQAJSA-N 1 0 275.396 1.623 40 0 CDABRO Cn1cnc2c1[C@@H](COCC1CCOCC1)C[NH2+]C2 ZINC000096044995 185071699 /nfs/dbraw/zinc/07/16/99/185071699.db2.gz CXXQPKQHKAAHMU-GFCCVEGCSA-N 1 0 265.357 1.050 40 0 CDABRO O=C1C[C@]2(CC[N@H+](Cc3ccoc3)C2)CN1c1cncnc1 ZINC000096050823 185074704 /nfs/dbraw/zinc/07/47/04/185074704.db2.gz RMECSFACCLOEBG-INIZCTEOSA-N 1 0 298.346 1.699 40 0 CDABRO c1coc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000096054990 185076349 /nfs/dbraw/zinc/07/63/49/185076349.db2.gz ZWTCNAXGRQULHT-GDBMZVCRSA-N 1 0 276.380 1.965 40 0 CDABRO c1coc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)c1 ZINC000096056323 185077981 /nfs/dbraw/zinc/07/79/81/185077981.db2.gz SFTZSWSRVAAFLD-HRCADAONSA-N 1 0 292.379 1.344 40 0 CDABRO Cc1cccc(C[NH+]2CCC3(CC2)COCCN3C)n1 ZINC000096074581 185088102 /nfs/dbraw/zinc/08/81/02/185088102.db2.gz UZTIOQKOZVUNOS-UHFFFAOYSA-N 1 0 275.396 1.687 40 0 CDABRO CC(C)[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC000096082324 185092519 /nfs/dbraw/zinc/09/25/19/185092519.db2.gz WCXYOZKCSVMQEF-JKSUJKDBSA-N 1 0 288.391 1.868 40 0 CDABRO Clc1cncc(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000061858102 362325928 /nfs/dbraw/zinc/32/59/28/362325928.db2.gz GGWKAJOEVLPASQ-SNVBAGLBSA-N 1 0 252.749 1.805 40 0 CDABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000107711034 186187713 /nfs/dbraw/zinc/18/77/13/186187713.db2.gz QDVIMXPIVJKTEN-GJZGRUSLSA-N 1 0 279.384 1.438 40 0 CDABRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)[C@H](C)N1CCOCC1 ZINC000155706876 351400597 /nfs/dbraw/zinc/40/05/97/351400597.db2.gz JHZPFCCMHQWLCZ-KGLIPLIRSA-N 1 0 298.427 1.371 40 0 CDABRO CN(CCC1CCOCC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000163633192 188612480 /nfs/dbraw/zinc/61/24/80/188612480.db2.gz VWAUSCRYIUUOIM-GFCCVEGCSA-N 1 0 256.390 1.635 40 0 CDABRO Cc1cc(C(=O)NCCC[NH3+])c2cnn(C(C)C)c2n1 ZINC000236694806 363375969 /nfs/dbraw/zinc/37/59/69/363375969.db2.gz MRMQGMPFXBYPNR-UHFFFAOYSA-N 1 0 275.356 1.399 40 0 CDABRO CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000002699727 355978808 /nfs/dbraw/zinc/97/88/08/355978808.db2.gz DBKOPMBQVCNBGL-WDEREUQCSA-N 1 0 273.760 1.440 40 0 CDABRO CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)C(C)(C)[C@@H]1[NH+](C)C ZINC000005340734 356052786 /nfs/dbraw/zinc/05/27/86/356052786.db2.gz WZCOQWVIQBLQKQ-OUAUKWLOSA-N 1 0 271.357 1.315 40 0 CDABRO CC[NH+]1CCC(CC(=O)NCCn2ccnc2C)CC1 ZINC000019714173 356496907 /nfs/dbraw/zinc/49/69/07/356496907.db2.gz ONQFJTYLLKRUHX-UHFFFAOYSA-N 1 0 278.400 1.430 40 0 CDABRO Cc1noc(C)c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000034389371 356812413 /nfs/dbraw/zinc/81/24/13/356812413.db2.gz KFJBXYBVMQXBEX-UHFFFAOYSA-N 1 0 287.385 1.056 40 0 CDABRO C[NH+](C)CCNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000036140849 356861847 /nfs/dbraw/zinc/86/18/47/356861847.db2.gz BZJSMPKYEXMQQM-UHFFFAOYSA-N 1 0 275.352 1.105 40 0 CDABRO [NH3+]CCN1C(=O)O[C@@H](Cc2ccccc2Cl)C1=O ZINC000039320072 356972131 /nfs/dbraw/zinc/97/21/31/356972131.db2.gz NSEUTVOMEVBIOG-JTQLQIEISA-N 1 0 268.700 1.189 40 0 CDABRO CN(Cc1ccccc1)C[C@@H]1CCCC[N@@H+]1CCO ZINC000079414135 356993804 /nfs/dbraw/zinc/99/38/04/356993804.db2.gz MLAUWXCQBWHGLM-INIZCTEOSA-N 1 0 262.397 1.965 40 0 CDABRO C[NH+]1CCC(c2nccnc2N2CCC[C@H](CO)C2)CC1 ZINC000072365223 357830768 /nfs/dbraw/zinc/83/07/68/357830768.db2.gz FNKSXYBQLVXWOL-ZDUSSCGKSA-N 1 0 290.411 1.495 40 0 CDABRO COc1ccc(C(=O)O[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000019456173 358066564 /nfs/dbraw/zinc/06/65/64/358066564.db2.gz PZLZFQBGMVTMFC-CYBMUJFWSA-N 1 0 292.379 1.488 40 0 CDABRO O=C([C@H]1COC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21)N1CCCO1 ZINC000096040815 358706445 /nfs/dbraw/zinc/70/64/45/358706445.db2.gz SAFXPLNEPVNRGZ-YUELXQCFSA-N 1 0 294.395 1.287 40 0 CDABRO Cc1noc(C)c1C[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC000096158565 358710066 /nfs/dbraw/zinc/71/00/66/358710066.db2.gz AKBKAXZKSHSPTG-UHFFFAOYSA-N 1 0 277.368 1.926 40 0 CDABRO CN(C)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200854 358718142 /nfs/dbraw/zinc/71/81/42/358718142.db2.gz FBMUHANHWAJSKQ-BBWFWOEESA-N 1 0 289.423 1.665 40 0 CDABRO Cc1nc(CN2CC3(CC[NH+](C)CC3)OCC2=O)cs1 ZINC000096201424 358718233 /nfs/dbraw/zinc/71/82/33/358718233.db2.gz AOKGLVWMINBCOO-UHFFFAOYSA-N 1 0 295.408 1.275 40 0 CDABRO C[C@H]1NC(=O)COC12CC[NH+](Cc1ccoc1)CC2 ZINC000096201470 358718634 /nfs/dbraw/zinc/71/86/34/358718634.db2.gz RZABZUVMRSHVEE-LLVKDONJSA-N 1 0 264.325 1.149 40 0 CDABRO CS(=O)(=O)N1CCC[C@]12CCCN(Cc1ccc[nH]1)C2 ZINC000096214986 358721356 /nfs/dbraw/zinc/72/13/56/358721356.db2.gz GGAWIGHLSNWSOA-AWEZNQCLSA-N 1 0 297.424 1.405 40 0 CDABRO O=C1[C@H]2C[N@@H+]([C@H]3CCOC3)C[C@H]2CN1c1ccccc1 ZINC000096245157 358724681 /nfs/dbraw/zinc/72/46/81/358724681.db2.gz MLSDZISUAMWFMN-QEJZJMRPSA-N 1 0 272.348 1.370 40 0 CDABRO Cc1ccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)cc1C ZINC000059417482 359815811 /nfs/dbraw/zinc/81/58/11/359815811.db2.gz SRYFENXXFGQVCN-UHFFFAOYSA-N 1 0 289.379 1.358 40 0 CDABRO CC(C)[N@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1C(=O)N2C ZINC000514289685 360119824 /nfs/dbraw/zinc/11/98/24/360119824.db2.gz NMDWTGRJCSJUSJ-NEPJUHHUSA-N 1 0 261.325 1.007 40 0 biogenic,in-vitro CDABRO CC(C)[N@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514288985 360125469 /nfs/dbraw/zinc/12/54/69/360125469.db2.gz DSQMSHRWTOIZRV-OCCSQVGLSA-N 1 0 260.337 1.612 40 0 biogenic,in-vitro CDABRO CN(CC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231303599 360440059 /nfs/dbraw/zinc/44/00/59/360440059.db2.gz UFOQDHIXGWNSTC-GFCCVEGCSA-N 1 0 279.359 1.838 40 0 CDABRO CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000242437535 364519729 /nfs/dbraw/zinc/51/97/29/364519729.db2.gz CEWPVKNRKQDVMT-HZPDHXFCSA-N 1 0 289.423 1.895 40 0 CDABRO c1nc2c(n1CC1CC1)[C@@H](COCC1CC1)C[NH2+]C2 ZINC000306124063 367314486 /nfs/dbraw/zinc/31/44/86/367314486.db2.gz BEQZLSDRVOAGSJ-CYBMUJFWSA-N 1 0 261.369 1.907 40 0 CDABRO CCC[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)CC1 ZINC000079002094 374754684 /nfs/dbraw/zinc/75/46/84/374754684.db2.gz PBAXIQBHPZSPSP-GDBMZVCRSA-N 1 0 293.455 1.661 40 0 CDABRO O=C(NCc1cccs1)[C@@H]1CCO[C@@H]2CC[NH2+]C[C@@H]21 ZINC000306135563 374970771 /nfs/dbraw/zinc/97/07/71/374970771.db2.gz OUTHSILAMQZZKB-JHJVBQTASA-N 1 0 280.393 1.379 40 0 CDABRO CC(C)N1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 ZINC000306127353 374968392 /nfs/dbraw/zinc/96/83/92/374968392.db2.gz FWNSFKYRCHKCIL-LBPRGKRZSA-N 1 0 298.337 1.562 40 0 CDABRO CN(C)c1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000027932867 375162570 /nfs/dbraw/zinc/16/25/70/375162570.db2.gz ZBMPDEROBVWRCX-HNNXBMFYSA-N 1 0 273.380 1.673 40 0 CDABRO CCOc1ccccc1CN1CC[N@H+](CCCO)[C@@H](C)C1 ZINC000225649686 375177389 /nfs/dbraw/zinc/17/73/89/375177389.db2.gz OTYLBINZFKSETJ-HNNXBMFYSA-N 1 0 292.423 1.974 40 0 CDABRO C[C@@H](C(=O)N1C[C@@H](C)OC[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000226846049 375402680 /nfs/dbraw/zinc/40/26/80/375402680.db2.gz LLEMMCFEIVBBHL-JLNYLFASSA-N 1 0 276.380 1.958 40 0 CDABRO CCCn1cc(C[NH2+]Cc2cnn(C)c2C)c(C)n1 ZINC000256053244 190004749 /nfs/dbraw/zinc/00/47/49/190004749.db2.gz QQXKTQNDMZOYGO-UHFFFAOYSA-N 1 0 261.373 1.933 40 0 CDABRO CC[C@H](C)n1nccc1C[NH2+]CCN1CCOCC1 ZINC000256052985 190004065 /nfs/dbraw/zinc/00/40/65/190004065.db2.gz PNVBDRUTPNMOMM-ZDUSSCGKSA-N 1 0 266.389 1.276 40 0 CDABRO CCn1cc(C[NH2+]Cc2cnn(CC(F)F)c2C)cn1 ZINC000256053876 190004689 /nfs/dbraw/zinc/00/46/89/190004689.db2.gz TZMSGWLJNDKAJB-UHFFFAOYSA-N 1 0 283.326 1.963 40 0 CDABRO Cc1cncc(C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000257233342 190016598 /nfs/dbraw/zinc/01/65/98/190016598.db2.gz GOWSCXNVXIPUEY-HNNXBMFYSA-N 1 0 288.395 1.585 40 0 CDABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3cnccn3)C2)n1 ZINC000257232448 190017286 /nfs/dbraw/zinc/01/72/86/190017286.db2.gz GKWWUVLDOQAGHY-GFCCVEGCSA-N 1 0 255.325 1.565 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2c(F)cccc2F)C1 ZINC000257260189 190022345 /nfs/dbraw/zinc/02/23/45/190022345.db2.gz LBRZLGUAXDLOEB-CQSZACIVSA-N 1 0 284.306 1.103 40 0 CDABRO CNc1cncc([C@H]2CCC[N@@H+]2CC2(O)CCOCC2)n1 ZINC000257277530 190025438 /nfs/dbraw/zinc/02/54/38/190025438.db2.gz NYHNGUPWMBRFJY-CYBMUJFWSA-N 1 0 292.383 1.197 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)cn1 ZINC000257281417 190026122 /nfs/dbraw/zinc/02/61/22/190026122.db2.gz OPCGSYBIZKBSAL-LBPRGKRZSA-N 1 0 259.357 1.598 40 0 CDABRO O[C@H]1CCCOC12CC[NH+](Cc1ccncc1)CC2 ZINC000257306632 190031541 /nfs/dbraw/zinc/03/15/41/190031541.db2.gz SVCLQJMXHXNWNW-AWEZNQCLSA-N 1 0 262.353 1.588 40 0 CDABRO Cc1ccc(C2(O)CC[NH+]([C@@H]3COC[C@H]3O)CC2)cc1 ZINC000257300655 190029418 /nfs/dbraw/zinc/02/94/18/190029418.db2.gz RVEVTJMCJYCIJM-HUUCEWRRSA-N 1 0 277.364 1.038 40 0 CDABRO COCC[N@@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257303605 190030361 /nfs/dbraw/zinc/03/03/61/190030361.db2.gz SHXNCWAKZUEIOK-GFCCVEGCSA-N 1 0 276.340 1.608 40 0 CDABRO Cc1ncc(-c2cncc([C@@H]3CCC[N@H+](C)C3)n2)n1C ZINC000257333735 190035712 /nfs/dbraw/zinc/03/57/12/190035712.db2.gz YCVXFMQDWLVGNP-GFCCVEGCSA-N 1 0 271.368 1.995 40 0 CDABRO NC(=O)c1ccc(-c2cccc([C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000257337735 190036155 /nfs/dbraw/zinc/03/61/55/190036155.db2.gz YUDPLUVPXIKIFK-HNNXBMFYSA-N 1 0 283.331 1.508 40 0 CDABRO NC(=O)c1ccc(-c2cccc([C@H]3C[NH2+]CCO3)n2)cc1 ZINC000257337736 190036716 /nfs/dbraw/zinc/03/67/16/190036716.db2.gz YUDPLUVPXIKIFK-OAHLLOKOSA-N 1 0 283.331 1.508 40 0 CDABRO Cc1[nH+]cc2cncc(C3CCN(S(C)(=O)=O)CC3)n12 ZINC000257341930 190037418 /nfs/dbraw/zinc/03/74/18/190037418.db2.gz ZMLZWVZQNXTGMH-UHFFFAOYSA-N 1 0 294.380 1.177 40 0 CDABRO COc1ccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000218871425 377966409 /nfs/dbraw/zinc/96/64/09/377966409.db2.gz FNVWYGBIEXEYCD-OLZOCXBDSA-N 1 0 264.369 1.716 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000252516403 256689892 /nfs/dbraw/zinc/68/98/92/256689892.db2.gz SIXQGMGVEFVBGH-QJPTWQEYSA-N 1 0 273.785 1.815 40 0 CDABRO CN(Cc1cccs1)c1ncnc2c1cnn2CC[NH3+] ZINC000096524251 256731736 /nfs/dbraw/zinc/73/17/36/256731736.db2.gz QKUURCMICZQWGL-UHFFFAOYSA-N 1 0 288.380 1.483 40 0 CDABRO CC[C@@H]([C@@H]([NH3+])c1ccc(N)cc1)S(=O)(=O)CC ZINC000096524941 390539964 /nfs/dbraw/zinc/53/99/64/390539964.db2.gz PIGZCAWJJHMCOH-RYUDHWBXSA-N 1 0 256.371 1.482 40 0 CDABRO [NH3+][C@H](c1ccccc1)c1ccc(N2CCOCC2)nc1 ZINC000072225498 390623350 /nfs/dbraw/zinc/62/33/50/390623350.db2.gz SCRARXAUOMSNLA-MRXNPFEDSA-N 1 0 269.348 1.966 40 0 CDABRO CC[C@@H](O)c1cnc(N2CC[NH+](CC)CC2)cc1C ZINC000072223630 390624249 /nfs/dbraw/zinc/62/42/49/390624249.db2.gz KSRKBMIIHMLFOO-CQSZACIVSA-N 1 0 263.385 1.975 40 0 CDABRO COc1ccc(-c2ccc3nnc(C[NH3+])n3n2)cc1 ZINC000075844923 391859620 /nfs/dbraw/zinc/85/96/20/391859620.db2.gz NDKYIGZCCSXJTC-UHFFFAOYSA-N 1 0 255.281 1.259 40 0 CDABRO CCc1ccc([C@@H]2[C@@H](C[NH3+])[C@H]2S(C)(=O)=O)cc1 ZINC000242543501 391942798 /nfs/dbraw/zinc/94/27/98/391942798.db2.gz KCNTZBMFYQZVHI-JHJVBQTASA-N 1 0 253.367 1.334 40 0 CDABRO c1ccc(C[n+]2ccc(N3CCOCC3)cc2)cc1 ZINC000001685126 134637409 /nfs/dbraw/zinc/63/74/09/134637409.db2.gz OVURPGHFVWZFNY-UHFFFAOYSA-N 1 0 255.341 1.859 40 0 CDABRO c1cnc(N2CCC3(CC[N@H+]3CC3CC3)CC2)cn1 ZINC000096077982 398070495 /nfs/dbraw/zinc/07/04/95/398070495.db2.gz LENUORDWHMJLRD-UHFFFAOYSA-N 1 0 258.369 1.931 40 0 CDABRO CCCn1c(=O)c2ccccc2n(CC[NH+](C)C)c1=O ZINC000005470338 170102413 /nfs/dbraw/zinc/10/24/13/170102413.db2.gz AQJPDBMENHVESK-UHFFFAOYSA-N 1 0 275.352 1.135 40 0 CDABRO CC(C)c1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000009910062 170389757 /nfs/dbraw/zinc/38/97/57/170389757.db2.gz IPNAPTXIGCTAJY-UHFFFAOYSA-N 1 0 277.368 1.426 40 0 CDABRO OC1(Cn2ccc3nc(Cl)ccc32)CC[NH2+]CC1 ZINC000019341840 170776109 /nfs/dbraw/zinc/77/61/09/170776109.db2.gz OULSYSWVXOTBMS-UHFFFAOYSA-N 1 0 265.744 1.804 40 0 CDABRO [NH3+]CCS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000044248732 175156562 /nfs/dbraw/zinc/15/65/62/175156562.db2.gz HAZLWXYFXDLARI-UHFFFAOYSA-N 1 0 267.272 1.579 40 0 CDABRO Cc1snnc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000072239926 176347710 /nfs/dbraw/zinc/34/77/10/176347710.db2.gz GATKQWVMVGNEPJ-UHFFFAOYSA-N 1 0 282.413 1.886 40 0 CDABRO CCc1nccn1-c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000072380743 176387403 /nfs/dbraw/zinc/38/74/03/176387403.db2.gz BPWCPVVNDIOADU-NSHDSACASA-N 1 0 257.341 1.692 40 0 CDABRO CNC(=O)[C@@]1(CCCc2ccncc2)CCC[NH2+]C1 ZINC000072383147 176387996 /nfs/dbraw/zinc/38/79/96/176387996.db2.gz GZXVMGZXQNTUJI-HNNXBMFYSA-N 1 0 261.369 1.520 40 0 CDABRO COc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000072398505 176396829 /nfs/dbraw/zinc/39/68/29/176396829.db2.gz LKYXUJNQYCQUON-NSHDSACASA-N 1 0 263.341 1.304 40 0 CDABRO CC(C)[N@H+](CC(=O)NCc1ccco1)C1CCOCC1 ZINC000077323091 177252995 /nfs/dbraw/zinc/25/29/95/177252995.db2.gz OBCFZVNEQLFJFE-UHFFFAOYSA-N 1 0 280.368 1.785 40 0 CDABRO C(OC[C@]12CCCO[C@@H]1CC[NH2+]C2)C1CCOCC1 ZINC000306138079 276817389 /nfs/dbraw/zinc/81/73/89/276817389.db2.gz ROMYBDFXILCMTL-HUUCEWRRSA-N 1 0 269.385 1.588 40 0 CDABRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257257287 277075204 /nfs/dbraw/zinc/07/52/04/277075204.db2.gz KOXHACKGDIMFTF-LBPRGKRZSA-N 1 0 276.384 1.384 40 0 CDABRO c1cn2c(n1)CN(c1ncccn1)C[C@H](C[NH+]1CCCC1)C2 ZINC000096066943 280498568 /nfs/dbraw/zinc/49/85/68/280498568.db2.gz VSQFUYHWIAAKII-CQSZACIVSA-N 1 0 298.394 1.405 40 0 CDABRO CC[C@](C)([NH2+]CCn1cncn1)c1nccs1 ZINC000072684985 281288962 /nfs/dbraw/zinc/28/89/62/281288962.db2.gz PZWPRRJZXKUXFV-NSHDSACASA-N 1 0 251.359 1.650 40 0 CDABRO Cc1ccc(C)c(N2CC[C@H](C[NH3+])S2(=O)=O)c1 ZINC000260766441 328067338 /nfs/dbraw/zinc/06/73/38/328067338.db2.gz KBHHLBSRAVOZRG-LLVKDONJSA-N 1 0 254.355 1.171 40 0 CDABRO Cc1ccc(NC(=O)C[NH2+][C@H](CO)C(C)C)cc1F ZINC000156284786 323212517 /nfs/dbraw/zinc/21/25/17/323212517.db2.gz WDEUOQRFFXUNKC-CYBMUJFWSA-N 1 0 268.332 1.679 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)c(F)c1 ZINC001548448293 967500927 /nfs/dbraw/zinc/50/09/27/967500927.db2.gz ZWSXYRZJTSTVLH-WDEREUQCSA-N 1 0 272.707 1.196 40 0 CDABRO CN(C)C(=O)[C@@H]1C[C@@]2(CO1)CCC[N@H+](Cc1ccco1)C2 ZINC000096048878 185073684 /nfs/dbraw/zinc/07/36/84/185073684.db2.gz DWKSADKZWDYAEX-HOCLYGCPSA-N 1 0 292.379 1.739 40 0 CDABRO Cc1cc(F)ccc1S(=O)(=O)NCCC[NH+](C)C ZINC000041091139 361783097 /nfs/dbraw/zinc/78/30/97/361783097.db2.gz SAUFAXNFBCLEOO-UHFFFAOYSA-N 1 0 274.361 1.364 40 0 CDABRO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000096057525 185077618 /nfs/dbraw/zinc/07/76/18/185077618.db2.gz BVCLOKHQUOFFLQ-JHJVBQTASA-N 1 0 264.325 1.148 40 0 CDABRO CCn1nnc2c1[C@@H](COC)C[N@H+](CC1CCOCC1)C2 ZINC000096060848 185082245 /nfs/dbraw/zinc/08/22/45/185082245.db2.gz WGNHOHCGKVAJQA-CYBMUJFWSA-N 1 0 294.399 1.270 40 0 CDABRO CN(C)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096067896 185085356 /nfs/dbraw/zinc/08/53/56/185085356.db2.gz VFNZPWWXYIWOCL-UHFFFAOYSA-N 1 0 291.399 1.019 40 0 CDABRO c1cnc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1 ZINC000096073782 185087822 /nfs/dbraw/zinc/08/78/22/185087822.db2.gz HDRKVDSHMOWRFE-ZBFHGGJFSA-N 1 0 288.395 1.922 40 0 CDABRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H](O)CC1CCCC1 ZINC000332939354 539050242 /nfs/dbraw/zinc/05/02/42/539050242.db2.gz JIOGUHRGESVFDD-HZSPNIEDSA-N 1 0 266.385 1.281 40 0 CDABRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccn2)[C@H](CO)[C@@H]1O ZINC000585295353 342260753 /nfs/dbraw/zinc/26/07/53/342260753.db2.gz WIQCVLPMWMWZCM-KZNAEPCWSA-N 1 0 298.386 1.711 40 0 CDABRO C[NH+](C)CCCNC(=O)c1c(N)cnn1C1CCCC1 ZINC000685936284 539098852 /nfs/dbraw/zinc/09/88/52/539098852.db2.gz OOYRPXMQBMVTAN-UHFFFAOYSA-N 1 0 279.388 1.262 40 0 CDABRO O[C@]1(COc2ccccc2)CC[N@H+](CC2CCOCC2)C1 ZINC000585268934 342254429 /nfs/dbraw/zinc/25/44/29/342254429.db2.gz DYXGVSSCWNKXHL-QGZVFWFLSA-N 1 0 291.391 1.929 40 0 CDABRO O[C@@]1(COc2ccccc2)COCC[N@H+](CC2CC2)C1 ZINC000585269339 342254503 /nfs/dbraw/zinc/25/45/03/342254503.db2.gz PRNYYJORBQDVMW-MRXNPFEDSA-N 1 0 277.364 1.539 40 0 CDABRO CO[C@H]1CC[N@H+](CCC(N)=O)C[C@H]1Cc1ccccc1 ZINC000585269450 342255566 /nfs/dbraw/zinc/25/55/66/342255566.db2.gz VBHRCWFXUBVBOS-CABCVRRESA-N 1 0 276.380 1.441 40 0 CDABRO C[N@H+](CCO)[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585288612 342258893 /nfs/dbraw/zinc/25/88/93/342258893.db2.gz FMUUCLIWQCTTCB-RRFJBIMHSA-N 1 0 299.798 1.925 40 0 CDABRO CCOc1ccc([C@H](N)c2nc[nH]n2)cc1OCC ZINC000087878899 362163638 /nfs/dbraw/zinc/16/36/38/362163638.db2.gz LPMCBHLKXFPGLH-LBPRGKRZSA-N 1 0 262.313 1.650 40 0 CDABRO COC[C@@H]1CN(C(=O)c2ccsc2)CC12CC[NH2+]CC2 ZINC000257182560 342441212 /nfs/dbraw/zinc/44/12/12/342441212.db2.gz PPICCUZDBUPTND-ZDUSSCGKSA-N 1 0 294.420 1.836 40 0 CDABRO Cc1nc([C@H]2CCC[NH2+]C2)ncc1C(=O)NC1CCCC1 ZINC000019766854 348736146 /nfs/dbraw/zinc/73/61/46/348736146.db2.gz UFNKDOFZADTHSM-LBPRGKRZSA-N 1 0 288.395 1.924 40 0 CDABRO CCC[N@@H+]1CCN(C)C(=O)[C@H](Cc2ccccn2)C1 ZINC000019700824 348736219 /nfs/dbraw/zinc/73/62/19/348736219.db2.gz UKBUOKHPVYGZNW-CYBMUJFWSA-N 1 0 261.369 1.424 40 0 CDABRO C[NH+](C)[C@H]1CCOC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC000108530600 186221571 /nfs/dbraw/zinc/22/15/71/186221571.db2.gz RZEHDLRMIKPHGR-KGLIPLIRSA-N 1 0 296.411 1.125 40 0 CDABRO OC1(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CCOCC1 ZINC000152979631 188057009 /nfs/dbraw/zinc/05/70/09/188057009.db2.gz XUWPBLUFMCAKAX-LBPRGKRZSA-N 1 0 265.357 1.131 40 0 CDABRO COCCn1nnnc1[C@@H](C(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000004230614 363206725 /nfs/dbraw/zinc/20/67/25/363206725.db2.gz ZMZONOIDJMWUHZ-CHWSQXEVSA-N 1 0 281.404 1.749 40 0 CDABRO Fc1cccc(N2CCC[C@@]3(C[NH2+]CCO3)C2)c1 ZINC000096226765 283016750 /nfs/dbraw/zinc/01/67/50/283016750.db2.gz XRLWTTAPMUSJBB-CQSZACIVSA-N 1 0 250.317 1.785 40 0 CDABRO C[NH2+]CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005043816 356048381 /nfs/dbraw/zinc/04/83/81/356048381.db2.gz LJTDFQLZVZNKGE-OWWVKFPZSA-N 1 0 250.386 1.927 40 0 CDABRO CCCCC[NH2+]Cc1ccccc1OCC(N)=O ZINC000036612916 356409017 /nfs/dbraw/zinc/40/90/17/356409017.db2.gz IXPHXOZUTHJBKU-UHFFFAOYSA-N 1 0 250.342 1.831 40 0 CDABRO NC(=O)[C@H]([NH2+][C@@H]1CCSC1)c1ccc(F)cc1 ZINC000134879501 356444476 /nfs/dbraw/zinc/44/44/76/356444476.db2.gz HJEZXGPFWAXEPI-GHMZBOCLSA-N 1 0 254.330 1.447 40 0 CDABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccncc3)C2)cc(=O)[nH]1 ZINC000019285280 356479441 /nfs/dbraw/zinc/47/94/41/356479441.db2.gz PHOVIDZIIITTCY-CYBMUJFWSA-N 1 0 270.336 1.463 40 0 CDABRO Cc1c([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cnn1C ZINC000019748362 356498913 /nfs/dbraw/zinc/49/89/13/356498913.db2.gz WKAMDFWQDPCOAF-LLVKDONJSA-N 1 0 278.400 1.638 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391215 356988206 /nfs/dbraw/zinc/98/82/06/356988206.db2.gz YISXUHPECHODOD-QWRGUYRKSA-N 1 0 285.388 1.049 40 0 CDABRO CN(C[C@H]1CCCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408381 356992773 /nfs/dbraw/zinc/99/27/73/356992773.db2.gz FYDFWGBPQLCRFA-GFCCVEGCSA-N 1 0 271.405 1.667 40 0 CDABRO CC(=O)N(C(C)C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000079417744 356995473 /nfs/dbraw/zinc/99/54/73/356995473.db2.gz CDMZWCASOCCJIS-CYZMBNFOSA-N 1 0 269.389 1.018 40 0 CDABRO O=C(C1CCOCC1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257225763 357947278 /nfs/dbraw/zinc/94/72/78/357947278.db2.gz FHRVIHLXCKYZHD-OAHLLOKOSA-N 1 0 274.364 1.586 40 0 CDABRO Cc1nn(C)cc1[C@H](C)Nc1ncnc(N)c1Cl ZINC000192302302 358187924 /nfs/dbraw/zinc/18/79/24/358187924.db2.gz SFJLXWIRXSLDGF-LURJTMIESA-N 1 0 266.736 1.927 40 0 CDABRO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000096184381 358713534 /nfs/dbraw/zinc/71/35/34/358713534.db2.gz NSGIZQMXZANKPL-CVEARBPZSA-N 1 0 287.407 1.423 40 0 CDABRO C[NH+](C)CCN1CCN(CC2CC2)c2ncccc2C1 ZINC000096198933 358717537 /nfs/dbraw/zinc/71/75/37/358717537.db2.gz WEIFNSOUTULGKK-UHFFFAOYSA-N 1 0 274.412 1.675 40 0 CDABRO C[C@@H]1NC(=O)COC12CC[NH+](Cc1cccs1)CC2 ZINC000096201469 358718065 /nfs/dbraw/zinc/71/80/65/358718065.db2.gz CRXPSUNRRPFJRI-NSHDSACASA-N 1 0 280.393 1.618 40 0 CDABRO O=C1NCC[C@]12C[N@@H+]([C@H]1CCOC1)C[C@H]2c1ccccc1 ZINC000096201832 358719269 /nfs/dbraw/zinc/71/92/69/358719269.db2.gz QTUYVLIFLQQWCB-YQQAZPJKSA-N 1 0 286.375 1.381 40 0 CDABRO O=C(c1ccncc1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC000096202659 358719581 /nfs/dbraw/zinc/71/95/81/358719581.db2.gz IBAFYWKVXNIHQY-UHFFFAOYSA-N 1 0 271.364 1.640 40 0 CDABRO O=C1NCCO[C@H]2C[N@H+](Cc3ccsc3)CC[C@@H]12 ZINC000096207087 358720001 /nfs/dbraw/zinc/72/00/01/358720001.db2.gz WNTVMEWGIFAQFW-NEPJUHHUSA-N 1 0 266.366 1.085 40 0 CDABRO O=C1N(c2ccccc2)CC[C@]12CCC[N@@H+](CCO)C2 ZINC000096224744 358723265 /nfs/dbraw/zinc/72/32/65/358723265.db2.gz ZFADRWLXZFLMRH-INIZCTEOSA-N 1 0 274.364 1.498 40 0 CDABRO c1cnc(N2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)nc1 ZINC000096246163 358725810 /nfs/dbraw/zinc/72/58/10/358725810.db2.gz ZGTUOQYKLXMVMB-CVEARBPZSA-N 1 0 295.390 1.830 40 0 CDABRO c1nc2c(c(NC3CCC3)n1)CC[N@@H+]([C@@H]1CCOC1)CC2 ZINC000096255786 358729084 /nfs/dbraw/zinc/72/90/84/358729084.db2.gz DGAYMPHTZPKRTO-CYBMUJFWSA-N 1 0 288.395 1.631 40 0 CDABRO C[N@@H+]1CCC[C@]2(CN(Cc3cccnc3)CCO2)C1 ZINC000096268596 358730348 /nfs/dbraw/zinc/73/03/48/358730348.db2.gz FBQAAMCAWDPDOR-OAHLLOKOSA-N 1 0 261.369 1.378 40 0 CDABRO C[C@H]([NH3+])c1nc(-c2ccc(Br)o2)n[nH]1 ZINC000095534674 359045589 /nfs/dbraw/zinc/04/55/89/359045589.db2.gz JXOVRGQJESHOEM-BYPYZUCNSA-N 1 0 257.091 1.847 40 0 CDABRO COc1ccc([C@@]2(C)CC(C[NH3+])=NO2)cc1OC ZINC000222551381 359354028 /nfs/dbraw/zinc/35/40/28/359354028.db2.gz XJCDMLIHZIXXBS-CYBMUJFWSA-N 1 0 250.298 1.654 40 0 CDABRO [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1COc2ccccc2O1 ZINC000044542022 370677112 /nfs/dbraw/zinc/67/71/12/370677112.db2.gz ZHMYTRDVDJXFBO-BXUZGUMPSA-N 1 0 276.336 1.166 40 0 CDABRO O=C(c1cccnc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062663784 365174030 /nfs/dbraw/zinc/17/40/30/365174030.db2.gz ZCRCDVLNFHXXLZ-OAHLLOKOSA-N 1 0 267.332 1.868 40 0 CDABRO CCOC[C@@H]1[NH2+]CCc2cnn(CC3CCOCC3)c21 ZINC000103948469 367291755 /nfs/dbraw/zinc/29/17/55/367291755.db2.gz JXGMZXGABCOWPZ-AWEZNQCLSA-N 1 0 279.384 1.533 40 0 CDABRO CCCS(=O)(=O)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000054991961 373763496 /nfs/dbraw/zinc/76/34/96/373763496.db2.gz DCZUBCJPWUAHBS-BFHYXJOUSA-N 1 0 286.441 1.532 40 0 CDABRO COC(=O)C1=NOC2(C1)CC[NH+](CCCCCF)CC2 ZINC000225468317 374468024 /nfs/dbraw/zinc/46/80/24/374468024.db2.gz ZFCSHLBELWXKGU-UHFFFAOYSA-N 1 0 286.347 1.910 40 0 CDABRO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1CCc1ccccc1 ZINC000306143491 374971737 /nfs/dbraw/zinc/97/17/37/374971737.db2.gz YDNJVZVGUSWVFE-HUUCEWRRSA-N 1 0 294.420 1.243 40 0 CDABRO Cc1nn(C)c2c1nc(C1CC1)nc2NCC[NH+](C)C ZINC000057356007 375421024 /nfs/dbraw/zinc/42/10/24/375421024.db2.gz PVGNNNZILUPZSP-UHFFFAOYSA-N 1 0 274.372 1.523 40 0 CDABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[NH2+]2)c1 ZINC000257197883 190009940 /nfs/dbraw/zinc/00/99/40/190009940.db2.gz MEKLQQNDHMWDAK-GFCCVEGCSA-N 1 0 283.335 1.249 40 0 CDABRO CN(C(=O)c1cccnc1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257205468 190011745 /nfs/dbraw/zinc/01/17/45/190011745.db2.gz AZEWAQWVQPQUEM-RBSFLKMASA-N 1 0 289.379 1.141 40 0 CDABRO C[N@@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cncc(O)c1 ZINC000257232379 190017362 /nfs/dbraw/zinc/01/73/62/190017362.db2.gz GKQOQYPUXOVLFU-HUUCEWRRSA-N 1 0 289.379 1.876 40 0 CDABRO CN(C)Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cncn3C)C2)n1 ZINC000257252053 190019993 /nfs/dbraw/zinc/01/99/93/190019993.db2.gz JTJKABXJHCMDOX-GFCCVEGCSA-N 1 0 288.399 1.194 40 0 CDABRO COc1ccc(-n2ncc(C(=O)[C@@H]3CC[NH2+]C3)c2N)cc1 ZINC000257266592 190023076 /nfs/dbraw/zinc/02/30/76/190023076.db2.gz MDQSLXSROWZANO-SNVBAGLBSA-N 1 0 286.335 1.255 40 0 CDABRO Cc1ncc(C(=O)Nc2ccccc2F)c(CC[NH3+])n1 ZINC000257277630 190025577 /nfs/dbraw/zinc/02/55/77/190025577.db2.gz NYUDQPZQPVRLPS-UHFFFAOYSA-N 1 0 274.299 1.678 40 0 CDABRO Cn1ccc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000257284145 190026543 /nfs/dbraw/zinc/02/65/43/190026543.db2.gz PBJNRSAPVVQWPT-INIZCTEOSA-N 1 0 270.380 1.909 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257274499 190024924 /nfs/dbraw/zinc/02/49/24/190024924.db2.gz NLILVIFVJXUIBP-CYBMUJFWSA-N 1 0 276.384 1.518 40 0 CDABRO Cn1nccc1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000257274365 190024976 /nfs/dbraw/zinc/02/49/76/190024976.db2.gz NKSBGMCVHCHGIX-ZDUSSCGKSA-N 1 0 285.351 1.834 40 0 CDABRO O=C(c1ccnc(C2CC[NH2+]CC2)c1)N1CCOCC1 ZINC000257292326 190027780 /nfs/dbraw/zinc/02/77/80/190027780.db2.gz QKZUJMDSBWFKDI-UHFFFAOYSA-N 1 0 275.352 1.021 40 0 CDABRO C[C@]12CCCN(C(=O)c3cnco3)[C@H]1CCCC[NH2+]2 ZINC000257296824 190028454 /nfs/dbraw/zinc/02/84/54/190028454.db2.gz RENADNSVGRWWEO-JSGCOSHPSA-N 1 0 263.341 1.811 40 0 CDABRO CS(=O)(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCC[C@@H]21 ZINC000257344659 190037582 /nfs/dbraw/zinc/03/75/82/190037582.db2.gz ZYENLZWSCJDPIU-KKUMJFAQSA-N 1 0 294.420 1.556 40 0 CDABRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)NC1CC1 ZINC000069077774 377790333 /nfs/dbraw/zinc/79/03/33/377790333.db2.gz QUNPWTPSEFOSCS-CQSZACIVSA-N 1 0 265.401 1.215 40 0 CDABRO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[NH2+]C[C@H]21 ZINC000306124943 285074746 /nfs/dbraw/zinc/07/47/46/285074746.db2.gz CCTOPIBNKMBDMB-DZGCQCFKSA-N 1 0 286.356 1.591 40 0 CDABRO COc1ccc2cnn(C[C@@H]3CCC[NH2+]3)c(=O)c2c1OC ZINC000096511193 390530923 /nfs/dbraw/zinc/53/09/23/390530923.db2.gz NFPATYUUYZMOGE-NSHDSACASA-N 1 0 289.335 1.166 40 0 CDABRO CCn1ncc(CN(C)C[C@H]2CCC[NH2+]C2)c1C ZINC000096523669 390537684 /nfs/dbraw/zinc/53/76/84/390537684.db2.gz CMNZCURHQREAKY-ZDUSSCGKSA-N 1 0 250.390 1.643 40 0 CDABRO CCOC(=O)[C@@H](CN)C1([NH+]2CCCC2)CCCCC1 ZINC000072210450 390618493 /nfs/dbraw/zinc/61/84/93/390618493.db2.gz SOIIHUGLSKYPBS-CYBMUJFWSA-N 1 0 268.401 1.923 40 0 CDABRO O=CN1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216254 390621261 /nfs/dbraw/zinc/62/12/61/390621261.db2.gz WAUVBHQNJUSOGU-AWEZNQCLSA-N 1 0 275.352 1.602 40 0 CDABRO CC(C)C(=O)N1CCCC[C@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072344100 390627062 /nfs/dbraw/zinc/62/70/62/390627062.db2.gz ZMDIQMNEZNMOOW-LBPRGKRZSA-N 1 0 291.399 1.433 40 0 CDABRO NN=c1ncc2c([nH]1)CC[N@@H+](Cc1ccccc1)C2 ZINC000072415049 390628818 /nfs/dbraw/zinc/62/88/18/390628818.db2.gz MSIVFLGBJZEFSO-UHFFFAOYSA-N 1 0 255.325 1.321 40 0 CDABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096056492 390912425 /nfs/dbraw/zinc/91/24/25/390912425.db2.gz VUJUSAWVXMALEZ-HUUCEWRRSA-N 1 0 289.379 1.293 40 0 CDABRO CO[C@H]1CN(C(=O)C[NH+]2CCCCC2)CC[C@@]12CCCO2 ZINC000257286043 286070210 /nfs/dbraw/zinc/07/02/10/286070210.db2.gz PJYZNRDYWNFVPF-HOCLYGCPSA-N 1 0 296.411 1.269 40 0 CDABRO CCO[C@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])C12CCCCC2 ZINC000236951015 286474060 /nfs/dbraw/zinc/47/40/60/286474060.db2.gz WKSIZXKTGFOYQY-NEPJUHHUSA-N 1 0 268.401 1.968 40 0 CDABRO CC(C)[C@](O)(C(=O)OC1CC[NH2+]CC1)c1ccccc1 ZINC000005963219 170163734 /nfs/dbraw/zinc/16/37/34/170163734.db2.gz OWGVEGJIZOLOMW-MRXNPFEDSA-N 1 0 277.364 1.825 40 0 CDABRO COc1ccccc1C[C@H](O)C[NH2+]Cc1ccco1 ZINC000006485121 170205574 /nfs/dbraw/zinc/20/55/74/170205574.db2.gz WPIDCZBVFXTHBQ-ZDUSSCGKSA-N 1 0 261.321 1.981 40 0 CDABRO C[NH2+]CCCNCc1cc(OC)c(OC)c(OC)c1 ZINC000008376966 170333901 /nfs/dbraw/zinc/33/39/01/170333901.db2.gz QQDMSSMWZWBDSJ-UHFFFAOYSA-N 1 0 268.357 1.412 40 0 CDABRO COc1cccc([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c1OC ZINC000022161719 171364332 /nfs/dbraw/zinc/36/43/32/171364332.db2.gz SUUAHXZFOMJMML-SGMGOOAPSA-N 1 0 294.395 1.813 40 0 CDABRO CSc1nc2c(cnn2CC[NH3+])c(NCC(C)C)n1 ZINC000038486274 174142650 /nfs/dbraw/zinc/14/26/50/174142650.db2.gz RSDWPTUBQVSHOD-UHFFFAOYSA-N 1 0 280.401 1.575 40 0 CDABRO [NH3+]CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000071617464 176234980 /nfs/dbraw/zinc/23/49/80/176234980.db2.gz DLWLTTMLXUEPPR-UHFFFAOYSA-N 1 0 276.361 1.591 40 0 CDABRO O[C@@H]1C[C@H](c2cccnc2)[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000072321632 176368558 /nfs/dbraw/zinc/36/85/58/176368558.db2.gz RKZSHDVJCXCUJI-QBPKDAKJSA-N 1 0 284.359 1.449 40 0 biogenic,in-vitro CDABRO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2CCO)n1 ZINC000072355527 176375316 /nfs/dbraw/zinc/37/53/16/176375316.db2.gz COXASHUOGSTTTM-CQSZACIVSA-N 1 0 272.352 1.705 40 0 CDABRO Cc1cc(N(C)C)nc(C2C[NH+]([C@@H]3CCCC[C@H]3O)C2)n1 ZINC000072367488 176381734 /nfs/dbraw/zinc/38/17/34/176381734.db2.gz MPOHUWMSQJCKNX-ZIAGYGMSSA-N 1 0 290.411 1.554 40 0 CDABRO C[N@@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377385 176386091 /nfs/dbraw/zinc/38/60/91/176386091.db2.gz PWNDHQVBRGPTPN-NSHDSACASA-N 1 0 256.313 1.777 40 0 CDABRO c1cnc(C2CC[NH2+]CC2)c(NCc2ccncc2)n1 ZINC000072386711 176392155 /nfs/dbraw/zinc/39/21/55/176392155.db2.gz QPPCDSLHFDPMKN-UHFFFAOYSA-N 1 0 269.352 1.951 40 0 CDABRO COc1cc(NC[C@H]2CCC[NH2+]C2)nc(SC)n1 ZINC000079439723 177491164 /nfs/dbraw/zinc/49/11/64/177491164.db2.gz PPQIVUCFNSEUDA-VIFPVBQESA-N 1 0 268.386 1.619 40 0 CDABRO NC(=[NH2+])C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000079843423 177569571 /nfs/dbraw/zinc/56/95/71/177569571.db2.gz LGSRFMWSAABMRB-UHFFFAOYSA-N 1 0 285.344 1.162 40 0 CDABRO CC(C)Nc1ncc(C[NH2+]Cc2cccnc2)cn1 ZINC000062717606 262302656 /nfs/dbraw/zinc/30/26/56/262302656.db2.gz VPPPNEVWPIFZKV-UHFFFAOYSA-N 1 0 257.341 1.982 40 0 CDABRO O=C1C[C@@]2(CC[NH2+]C2)CN1c1ccc2c(c1)OCO2 ZINC000096239430 265345830 /nfs/dbraw/zinc/34/58/30/265345830.db2.gz RGGSUVNRBVYEEJ-CQSZACIVSA-N 1 0 260.293 1.132 40 0 CDABRO CSc1nc(Cl)cc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000072203404 274189711 /nfs/dbraw/zinc/18/97/11/274189711.db2.gz QHEODEZITXKQGT-SSDOTTSWSA-N 1 0 258.778 1.779 40 0 CDABRO O=C1C[C@@]2(CCC[NH2+]C2)C(=O)N1c1cccc(Cl)c1 ZINC000096088757 275019861 /nfs/dbraw/zinc/01/98/61/275019861.db2.gz MTHVDEOSCPPOMQ-CQSZACIVSA-N 1 0 278.739 1.973 40 0 CDABRO CC[NH+](CC)CCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000104184213 276099668 /nfs/dbraw/zinc/09/96/68/276099668.db2.gz OCBYBBQVZFJHBP-FHUSYTEZSA-N 1 0 281.352 1.069 40 0 CDABRO C[N@@H+]1CCOCC2(CCN(c3ncc(F)cn3)CC2)C1 ZINC000096239837 277117047 /nfs/dbraw/zinc/11/70/47/277117047.db2.gz GCYHFWZFPACMLB-UHFFFAOYSA-N 1 0 280.347 1.164 40 0 CDABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[NH+](CCO)CCO)C2 ZINC000004416407 281452326 /nfs/dbraw/zinc/45/23/26/281452326.db2.gz OWCQIMTWVDRYOB-FMKPAKJESA-N 1 0 285.428 1.504 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100177794 298947577 /nfs/dbraw/zinc/94/75/77/298947577.db2.gz ZNPRGXOEYHPPBT-GARJFASQSA-N 1 0 285.388 1.286 40 0 CDABRO COc1cc2nc(N(C)C[C@@H](C)[NH3+])nc(N)c2cc1OC ZINC000116862568 617314955 /nfs/dbraw/zinc/31/49/55/617314955.db2.gz FBRFWJRUZCTMPR-MRVPVSSYSA-N 1 0 291.355 1.013 40 0 CDABRO CC1(C)CC(=O)NCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000931200750 617642066 /nfs/dbraw/zinc/64/20/66/617642066.db2.gz ACEWNUWHAKKHTH-GFCCVEGCSA-N 1 0 266.385 1.689 40 0 CDABRO [NH3+][C@H](Cc1ccccc1)c1nc(-c2cnccn2)n[nH]1 ZINC000095534857 185008448 /nfs/dbraw/zinc/00/84/48/185008448.db2.gz LBEXKAQSMCLQEY-LLVKDONJSA-N 1 0 266.308 1.504 40 0 CDABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)o1 ZINC000096055565 185075642 /nfs/dbraw/zinc/07/56/42/185075642.db2.gz YMVXPTKRJOYDMZ-MCIONIFRSA-N 1 0 278.352 1.408 40 0 CDABRO CCn1nnc2c1[C@@H](COC)C[N@H+](CC1CC1)C2 ZINC000096060846 185083446 /nfs/dbraw/zinc/08/34/46/185083446.db2.gz XRAQBQYEJPJKAU-LLVKDONJSA-N 1 0 250.346 1.254 40 0 CDABRO CC(C)(O)C[N@@H+]1CCC[C@]2(C[C@H](c3cncnc3)CO2)C1 ZINC000096073484 185088046 /nfs/dbraw/zinc/08/80/46/185088046.db2.gz BMOFOBUCYAPTBV-BBRMVZONSA-N 1 0 291.395 1.586 40 0 CDABRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccncc3F)C[C@H]2C1 ZINC000096081391 185090508 /nfs/dbraw/zinc/09/05/08/185090508.db2.gz QHMRXKOMZYRNKF-WDEREUQCSA-N 1 0 263.316 1.244 40 0 CDABRO Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C[NH+](C)C)C2)c1 ZINC000585095191 342211432 /nfs/dbraw/zinc/21/14/32/342211432.db2.gz JORQDDGEDDILMR-INIZCTEOSA-N 1 0 298.390 1.950 40 0 CDABRO CNC(=O)C[C@H]1C[N@H+](CC2CCCC2)Cc2ccnn21 ZINC000585112114 342213456 /nfs/dbraw/zinc/21/34/56/342213456.db2.gz LOCLQGDQFIVLDR-AWEZNQCLSA-N 1 0 276.384 1.566 40 0 CDABRO Cc1nccn1-c1nccnc1C1CC[NH+](C)CC1 ZINC000072350492 282200901 /nfs/dbraw/zinc/20/09/01/282200901.db2.gz ZJPVZBFCBUKUIS-UHFFFAOYSA-N 1 0 257.341 1.780 40 0 CDABRO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000072795591 362011756 /nfs/dbraw/zinc/01/17/56/362011756.db2.gz NQJCXMARGIELPT-VIFPVBQESA-N 1 0 291.273 1.565 40 0 CDABRO CC[N@@H+]1CC[C@@H](N(C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212681 344547490 /nfs/dbraw/zinc/54/74/90/344547490.db2.gz BKNBIUSEBXQMSH-CHWSQXEVSA-N 1 0 271.405 1.347 40 0 CDABRO COC[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2C)C1 ZINC000079090986 362591420 /nfs/dbraw/zinc/59/14/20/362591420.db2.gz KYAFDYKMTDASOW-HNNXBMFYSA-N 1 0 290.407 1.970 40 0 CDABRO OC1CCN(c2cncc(CC[C@H]3CCC[NH2+]3)n2)CC1 ZINC000072386677 136481472 /nfs/dbraw/zinc/48/14/72/136481472.db2.gz IYOAYUWVYVQRGE-GFCCVEGCSA-N 1 0 276.384 1.122 40 0 CDABRO COc1ccc(/C=C2\C[N@H+](C)CC[C@@H]2O)c(OC)c1OC ZINC000252483497 350378157 /nfs/dbraw/zinc/37/81/57/350378157.db2.gz FCPUVZDRDDWWNC-SRXBQZRASA-N 1 0 293.363 1.792 40 0 CDABRO Nc1ncc(C[NH2+]CCCc2nc3ccccc3[nH]2)cn1 ZINC000062718691 350413318 /nfs/dbraw/zinc/41/33/18/350413318.db2.gz ZUTHUUWTLFVLSQ-UHFFFAOYSA-N 1 0 282.351 1.658 40 0 CDABRO c1nncn1[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccnc1)C2 ZINC000107787782 186191540 /nfs/dbraw/zinc/19/15/40/186191540.db2.gz OIPNZFOHLDQELK-HZPDHXFCSA-N 1 0 299.378 1.669 40 0 CDABRO CCN1CCO[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000108524893 186220723 /nfs/dbraw/zinc/22/07/23/186220723.db2.gz PFXODXJYWTZYPY-GJZGRUSLSA-N 1 0 261.369 1.377 40 0 CDABRO Cn1nccc1CN1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2C1 ZINC000108534312 186221643 /nfs/dbraw/zinc/22/16/43/186221643.db2.gz LFTOMKZBUCFPDL-HOTGVXAUSA-N 1 0 290.411 1.105 40 0 CDABRO COc1cccc(C[NH+]2CCC3(CCC(=O)NC3)CC2)n1 ZINC000108534736 186222039 /nfs/dbraw/zinc/22/20/39/186222039.db2.gz IRNOGUHUDYQGSM-UHFFFAOYSA-N 1 0 289.379 1.582 40 0 CDABRO CCOC(=O)c1cn(C)nc1CN1CCCCC1 ZINC000033359105 358473055 /nfs/dbraw/zinc/47/30/55/358473055.db2.gz MRZDFYLDXDYKFD-UHFFFAOYSA-N 1 0 251.330 1.583 40 0 CDABRO O[C@H]1CCC[N@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019405942 356484990 /nfs/dbraw/zinc/48/49/90/356484990.db2.gz VWYALEMORLXPFX-AWEZNQCLSA-N 1 0 270.336 1.495 40 0 CDABRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1nc(C)c(C)c1C ZINC000019527278 356490575 /nfs/dbraw/zinc/49/05/75/356490575.db2.gz MPVYGZFGHNXAIP-OAHLLOKOSA-N 1 0 292.427 1.799 40 0 CDABRO Cc1ccc2c(c1)cc(C[NH2+]C[C@@H]1CCCO1)c1nnnn12 ZINC000019221194 356477239 /nfs/dbraw/zinc/47/72/39/356477239.db2.gz PAYKYTBTHLPVSD-AWEZNQCLSA-N 1 0 297.362 1.855 40 0 CDABRO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000019288273 356479524 /nfs/dbraw/zinc/47/95/24/356479524.db2.gz XKWJDKBGBDOFJF-AWEZNQCLSA-N 1 0 270.336 1.871 40 0 CDABRO COCc1ccc(OC)c(C[NH2+][C@@H]2CCCNC2=O)c1 ZINC000019594375 356493498 /nfs/dbraw/zinc/49/34/98/356493498.db2.gz WTXMFKZGWNITCZ-CYBMUJFWSA-N 1 0 278.352 1.210 40 0 CDABRO COCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000048265470 356679041 /nfs/dbraw/zinc/67/90/41/356679041.db2.gz RMKREIZSYWTFED-UHFFFAOYSA-N 1 0 276.380 1.935 40 0 CDABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000030756423 356752835 /nfs/dbraw/zinc/75/28/35/356752835.db2.gz VEKINKGPRTWZJN-CYBMUJFWSA-N 1 0 268.332 1.661 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1ccc[nH]1)C(C)C ZINC000079436546 356996487 /nfs/dbraw/zinc/99/64/87/356996487.db2.gz LTGODKFJJRWQNC-ZDUSSCGKSA-N 1 0 265.357 1.418 40 0 CDABRO CCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1nccs1)C2 ZINC000096189616 358716468 /nfs/dbraw/zinc/71/64/68/358716468.db2.gz GXMMNHFVIIFXEC-LBPRGKRZSA-N 1 0 289.404 1.972 40 0 CDABRO Cc1nc(C[NH2+]C[C@@H]2Cn3nnc(C)c3CO2)cs1 ZINC000096199150 358717560 /nfs/dbraw/zinc/71/75/60/358717560.db2.gz HUGDBFLSWOGDRE-LLVKDONJSA-N 1 0 279.369 1.040 40 0 CDABRO CCN1CC[C@]2(CCC[N@H+](C[C@@H]3CCOC3)C2)C1=O ZINC000096223833 358723350 /nfs/dbraw/zinc/72/33/50/358723350.db2.gz MXXXYCCCNQEWCF-ZFWWWQNUSA-N 1 0 266.385 1.357 40 0 CDABRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096227791 358723920 /nfs/dbraw/zinc/72/39/20/358723920.db2.gz SCJYCONVANNDCN-ZDUSSCGKSA-N 1 0 276.384 1.110 40 0 CDABRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cn[nH]c1 ZINC000118768601 359809012 /nfs/dbraw/zinc/80/90/12/359809012.db2.gz YRZGAKDPBUTVOG-UHFFFAOYSA-N 1 0 278.356 1.383 40 0 CDABRO CC[C@@H](O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000075746303 360204731 /nfs/dbraw/zinc/20/47/31/360204731.db2.gz PCIZLQVSWUHAAN-YMAMQOFZSA-N 1 0 254.418 1.954 40 0 CDABRO COc1ccc([C@@H]2CN(C(C)=O)[C@@H]3CCC[NH2+][C@H]23)cc1 ZINC000409412903 364093321 /nfs/dbraw/zinc/09/33/21/364093321.db2.gz UNXRUBYHEBJKRZ-ARFHVFGLSA-N 1 0 274.364 1.762 40 0 CDABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218249981 365036627 /nfs/dbraw/zinc/03/66/27/365036627.db2.gz LHCVXGXKSRWKQN-MELADBBJSA-N 1 0 283.393 1.097 40 0 CDABRO Cc1nc(COC[C@@H]2C[NH2+]Cc3ccnn3C2)cs1 ZINC000306143514 374971764 /nfs/dbraw/zinc/97/17/64/374971764.db2.gz YEKCCRBKRUTUDM-LLVKDONJSA-N 1 0 278.381 1.584 40 0 CDABRO Cn1cc(CNCCC[NH+](C)C)c(C(F)(F)F)n1 ZINC000256052711 190004288 /nfs/dbraw/zinc/00/42/88/190004288.db2.gz OIMYTHWVRJNQGW-UHFFFAOYSA-N 1 0 264.295 1.480 40 0 CDABRO Cc1n[nH]c(C)c1CCNC(=O)CC1CC[NH2+]CC1 ZINC000257197882 190010207 /nfs/dbraw/zinc/01/02/07/190010207.db2.gz MDYQYLIBCGVFGE-UHFFFAOYSA-N 1 0 264.373 1.075 40 0 CDABRO CN(C)Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cncs3)C2)n1 ZINC000257205194 190011676 /nfs/dbraw/zinc/01/16/76/190011676.db2.gz AYAOZFHTKARGNR-LLVKDONJSA-N 1 0 291.424 1.917 40 0 CDABRO CCn1nccc1-c1cnc(CC2CC[NH2+]CC2)cn1 ZINC000257230595 190016133 /nfs/dbraw/zinc/01/61/33/190016133.db2.gz GDABSSSEUYZBEX-UHFFFAOYSA-N 1 0 271.368 1.902 40 0 CDABRO C[NH2+]CC(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257232195 190016913 /nfs/dbraw/zinc/01/69/13/190016913.db2.gz GJUHHLKPFQELDQ-IIAWOOMASA-N 1 0 292.379 1.073 40 0 CDABRO Cn1ccnc1-c1cnc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000257234029 190017152 /nfs/dbraw/zinc/01/71/52/190017152.db2.gz GRUQAYWRQDZMCN-LLVKDONJSA-N 1 0 257.341 1.419 40 0 CDABRO Cc1nnsc1C(=O)N1C[C@@H]2CCCC[NH2+][C@@H]2C1 ZINC000257217448 190014255 /nfs/dbraw/zinc/01/42/55/190014255.db2.gz CYZHDTNSWJFUDT-VHSXEESVSA-N 1 0 266.370 1.061 40 0 CDABRO c1cnc(Nc2cncc([C@@H]3CCC[NH2+]C3)n2)nc1 ZINC000257271046 190023978 /nfs/dbraw/zinc/02/39/78/190023978.db2.gz MWOXTAPVTFVBCH-SNVBAGLBSA-N 1 0 256.313 1.477 40 0 CDABRO Cc1noc(C)c1-c1cc(C[C@H]2CC[NH2+]C2)ncn1 ZINC000257256262 190021672 /nfs/dbraw/zinc/02/16/72/190021672.db2.gz KKSIVIQUYRIUPJ-LLVKDONJSA-N 1 0 258.325 1.900 40 0 CDABRO O[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1Oc1cccc(F)c1 ZINC000257279666 190025808 /nfs/dbraw/zinc/02/58/08/190025808.db2.gz OHQMDFHEVRSJTD-HUUCEWRRSA-N 1 0 281.327 1.429 40 0 CDABRO CCOC(=O)CCc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000257318323 190033679 /nfs/dbraw/zinc/03/36/79/190033679.db2.gz VNKASHYHUVCVMG-UHFFFAOYSA-N 1 0 277.368 1.748 40 0 CDABRO Nc1c(C(=O)[C@H]2CCC[NH2+]C2)cnn1-c1ccccc1 ZINC000257332447 190035691 /nfs/dbraw/zinc/03/56/91/190035691.db2.gz XXJIUMOHRPJTKG-NSHDSACASA-N 1 0 270.336 1.637 40 0 CDABRO CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccccn1 ZINC000067897153 377286731 /nfs/dbraw/zinc/28/67/31/377286731.db2.gz TYFSGIDUNREIMB-CABCVRRESA-N 1 0 289.379 1.149 40 0 biogenic,in-vitro CDABRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000063527693 378303889 /nfs/dbraw/zinc/30/38/89/378303889.db2.gz XHSZJIQPYHWANT-OAHLLOKOSA-N 1 0 259.353 1.640 40 0 CDABRO CC[C@H]([NH3+])c1cnc(N2CCN(C=O)CC2)cc1C ZINC000072223687 256705191 /nfs/dbraw/zinc/70/51/91/256705191.db2.gz PJFGQZJUJXOFJX-ZDUSSCGKSA-N 1 0 262.357 1.078 40 0 CDABRO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000037573106 256725755 /nfs/dbraw/zinc/72/57/55/256725755.db2.gz YTKQAYUPOYKASR-UHFFFAOYSA-N 1 0 256.371 1.437 40 0 CDABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@H]12 ZINC000096251822 256834837 /nfs/dbraw/zinc/83/48/37/256834837.db2.gz BSRQBGMBKLMXBC-GJZGRUSLSA-N 1 0 294.420 1.294 40 0 CDABRO CC(C)[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC000096261158 256838120 /nfs/dbraw/zinc/83/81/20/256838120.db2.gz CVAQNROICZOFPK-AWEZNQCLSA-N 1 0 273.380 1.928 40 0 CDABRO CC[C@@H]([C@@H]([NH3+])c1ccc(OC)cc1)S(C)(=O)=O ZINC000096524921 390540045 /nfs/dbraw/zinc/54/00/45/390540045.db2.gz VTQUSULPHMQUGY-RYUDHWBXSA-N 1 0 257.355 1.518 40 0 CDABRO CC[C@H]([NH3+])c1cnc(N2CCN(C(C)=O)CC2)c(C)c1 ZINC000072222697 390624189 /nfs/dbraw/zinc/62/41/89/390624189.db2.gz IREFLHPFBGRFSJ-AWEZNQCLSA-N 1 0 276.384 1.468 40 0 CDABRO CC[C@@](O)(C[NH3+])[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072208026 390616232 /nfs/dbraw/zinc/61/62/32/390616232.db2.gz YMELRIJWLBJZQJ-SMDDNHRTSA-N 1 0 272.389 1.876 40 0 CDABRO CC1(C)CC(NC(=O)C(=O)NC2CCCC2)CC(C)(C)[NH2+]1 ZINC000170337585 390941592 /nfs/dbraw/zinc/94/15/92/390941592.db2.gz DYFWCOCZTGHLSF-UHFFFAOYSA-N 1 0 295.427 1.471 40 0 CDABRO [NH3+][C@H]1[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000242648320 391943607 /nfs/dbraw/zinc/94/36/07/391943607.db2.gz QSGXPGZAIDUJBB-RRFJBIMHSA-N 1 0 273.357 1.954 40 0 CDABRO COc1ccc(C[C@@H]2CN(C)CC[C@H]2[NH3+])c(OC)c1OC ZINC000242390239 392694272 /nfs/dbraw/zinc/69/42/72/392694272.db2.gz AGGSXHAAIPDJDW-CHWSQXEVSA-N 1 0 294.395 1.534 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@H]1c1cccc(Cl)c1 ZINC000242498712 393195870 /nfs/dbraw/zinc/19/58/70/393195870.db2.gz HPROAGMMWQGCJM-MXWKQRLJSA-N 1 0 259.758 1.568 40 0 CDABRO c1nc2n(c1-c1ccccc1)CCNC21CC[NH2+]CC1 ZINC000107488176 285582534 /nfs/dbraw/zinc/58/25/34/285582534.db2.gz FOHHFPKDRQVDDE-UHFFFAOYSA-N 1 0 268.364 1.732 40 0 CDABRO C[NH+](C)CCCNC(=S)Nc1ccc2c(c1)OCO2 ZINC000007065191 170265641 /nfs/dbraw/zinc/26/56/41/170265641.db2.gz MOKGICDJTYWSTA-UHFFFAOYSA-N 1 0 281.381 1.653 40 0 CDABRO Cc1cccc2c(O)c(C(=O)NCC[NH+](C)C)cnc12 ZINC000035291702 172106150 /nfs/dbraw/zinc/10/61/50/172106150.db2.gz OIOAMSCKIYOLEJ-UHFFFAOYSA-N 1 0 273.336 1.128 40 0 CDABRO CNC(=S)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044221998 175154758 /nfs/dbraw/zinc/15/47/58/175154758.db2.gz OQNCCQCZLHYXAY-UHFFFAOYSA-N 1 0 264.398 1.140 40 0 CDABRO COc1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000047829355 175414318 /nfs/dbraw/zinc/41/43/18/175414318.db2.gz GNUYKXFNBQUZEH-UHFFFAOYSA-N 1 0 278.352 1.284 40 0 CDABRO CC(=O)N1CCC(NC(=O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000070923888 176012157 /nfs/dbraw/zinc/01/21/57/176012157.db2.gz BKLPPZCZARWBOR-UHFFFAOYSA-N 1 0 295.427 1.378 40 0 CDABRO COCCNC(=O)[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C ZINC000072366456 176381720 /nfs/dbraw/zinc/38/17/20/176381720.db2.gz RJRXQMSKSKAGIQ-INIZCTEOSA-N 1 0 294.370 1.595 40 0 CDABRO Cn1ccnc1CNc1cccc(C2CC[NH2+]CC2)n1 ZINC000072386926 176392779 /nfs/dbraw/zinc/39/27/79/176392779.db2.gz YXVZBKVYYOUUNH-UHFFFAOYSA-N 1 0 271.368 1.894 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(F)c1 ZINC000072397569 176394912 /nfs/dbraw/zinc/39/49/12/176394912.db2.gz JGYRAOGEWYUKGQ-TUKIKUTGSA-N 1 0 264.344 1.465 40 0 CDABRO C[N@@H+]1CCc2nc(NCc3ccccc3)[nH]c(=O)c2C1 ZINC000072415038 176399277 /nfs/dbraw/zinc/39/92/77/176399277.db2.gz YTDRQEVVVIDFBT-UHFFFAOYSA-N 1 0 270.336 1.370 40 0 CDABRO CCN(C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1)C(=O)OC(C)(C)C ZINC000079409690 177481797 /nfs/dbraw/zinc/48/17/97/177481797.db2.gz KQCUPAOKFDUKGI-NWDGAFQWSA-N 1 0 299.415 1.439 40 0 CDABRO CCOCCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717801 262303068 /nfs/dbraw/zinc/30/30/68/262303068.db2.gz IEXDOWZLLQPIOD-UHFFFAOYSA-N 1 0 264.373 1.593 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079409370 278377377 /nfs/dbraw/zinc/37/73/77/278377377.db2.gz ZFMKLEUZAQGQSH-GFCCVEGCSA-N 1 0 297.399 1.336 40 0 CDABRO O=C([C@@H]1COC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21)N1CCCO1 ZINC000096038660 280105601 /nfs/dbraw/zinc/10/56/01/280105601.db2.gz SAFXPLNEPVNRGZ-BPLDGKMQSA-N 1 0 294.395 1.287 40 0 CDABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccncc1 ZINC000073642317 295357490 /nfs/dbraw/zinc/35/74/90/295357490.db2.gz UMJWMTKVPYTBRR-UHFFFAOYSA-N 1 0 266.304 1.743 40 0 CDABRO C[NH+]1CCC(N2CCOC[C@H](Oc3ccccc3)C2)CC1 ZINC000096296487 327114247 /nfs/dbraw/zinc/11/42/47/327114247.db2.gz GNBHECQRKXKUML-QGZVFWFLSA-N 1 0 290.407 1.860 40 0 biogenic,in-vitro CDABRO Cc1nnc(C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000257338432 327136479 /nfs/dbraw/zinc/13/64/79/327136479.db2.gz YXJYMIZPLSQURK-OLZOCXBDSA-N 1 0 265.357 1.861 40 0 CDABRO CCNc1ncc(C[NH2+]CCCOC(C)C)cn1 ZINC000062717569 333175831 /nfs/dbraw/zinc/17/58/31/333175831.db2.gz IKAHSFKBTNJHOK-UHFFFAOYSA-N 1 0 252.362 1.813 40 0 CDABRO CC1(CC(F)(F)F)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000909438678 619267596 /nfs/dbraw/zinc/26/75/96/619267596.db2.gz HNBRSPIRVLWDSY-UHFFFAOYSA-N 1 0 276.302 1.883 40 0 CDABRO CCOc1ccccc1CC(=O)CSC1=[NH+]CCN1 ZINC000026441697 1165704948 /nfs/dbraw/zinc/70/49/48/1165704948.db2.gz DEMWNMAXWLQNSC-UHFFFAOYSA-N 1 0 278.377 1.889 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H](C)c1c(F)cccc1F ZINC001548448003 967501172 /nfs/dbraw/zinc/50/11/72/967501172.db2.gz CXGNCIGNRVUNIA-JFUSQASVSA-N 1 0 284.306 1.171 40 0 CDABRO CN1CCOCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096048906 185072724 /nfs/dbraw/zinc/07/27/24/185072724.db2.gz IMBTVSZQQUXLAE-UHFFFAOYSA-N 1 0 261.369 1.378 40 0 CDABRO c1cnc(N[C@@H]2CO[C@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096047749 185073313 /nfs/dbraw/zinc/07/33/13/185073313.db2.gz PUMJTAWIVWYEPX-DZGCQCFKSA-N 1 0 274.368 1.532 40 0 CDABRO c1cncc(CO[C@H]2C[C@@H]3C[N@H+](CC4CC4)CCN3C2)c1 ZINC000096055048 185075803 /nfs/dbraw/zinc/07/58/03/185075803.db2.gz YRLXUVSHVKUPFH-SJORKVTESA-N 1 0 287.407 1.767 40 0 CDABRO CN(C)C(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000096057182 185077984 /nfs/dbraw/zinc/07/79/84/185077984.db2.gz HTUODFZRPOXGLY-NFAWXSAZSA-N 1 0 292.379 1.452 40 0 CDABRO CNS(=O)(=O)CCC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000072663003 361819620 /nfs/dbraw/zinc/81/96/20/361819620.db2.gz NBIGXJLWGNXVFI-UHFFFAOYSA-N 1 0 291.442 1.216 40 0 CDABRO CN(Cc1ccccn1)C(=O)[C@@H]1CCO[C@@H]2CC[NH2+]C[C@H]21 ZINC000096066342 185084063 /nfs/dbraw/zinc/08/40/63/185084063.db2.gz WRRDLJUENXZBBB-QLFBSQMISA-N 1 0 289.379 1.055 40 0 CDABRO c1cnc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1 ZINC000096073780 185087694 /nfs/dbraw/zinc/08/76/94/185087694.db2.gz HDRKVDSHMOWRFE-GDBMZVCRSA-N 1 0 288.395 1.922 40 0 CDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(Br)cs1 ZINC000396852774 342168697 /nfs/dbraw/zinc/16/86/97/342168697.db2.gz VLJFKLYJCSGYMI-HTQZYQBOSA-N 1 0 290.182 1.987 40 0 CDABRO c1c(-c2nc(C3CC3)no2)n[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000096516115 342165822 /nfs/dbraw/zinc/16/58/22/342165822.db2.gz SLOOAHSHWWFWSB-SECBINFHSA-N 1 0 259.313 1.804 40 0 CDABRO CCCC(=O)N1Cc2ccnn2[C@@H](C[NH+](C)C)C1 ZINC000585095128 342211453 /nfs/dbraw/zinc/21/14/53/342211453.db2.gz ATIGFNRIJWAEJP-LBPRGKRZSA-N 1 0 250.346 1.128 40 0 CDABRO COCC[N@@H+]1CC[C@@]12CCCN(C(=O)c1cc(C)on1)C2 ZINC000585101828 342212425 /nfs/dbraw/zinc/21/24/25/342212425.db2.gz HSKWMNGSZZWYMQ-OAHLLOKOSA-N 1 0 293.367 1.310 40 0 CDABRO CN(C)C(=O)C[C@H]1OC[C@H]2C[N@H+](CC3CCC3)CC[C@@H]12 ZINC000108524750 186220742 /nfs/dbraw/zinc/22/07/42/186220742.db2.gz ZVNILNSMVDFMRZ-RBSFLKMASA-N 1 0 280.412 1.602 40 0 CDABRO CO[C@@H](C)C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000195537286 363456626 /nfs/dbraw/zinc/45/66/26/363456626.db2.gz CUBSDDODTHRBQN-AVGNSLFASA-N 1 0 272.389 1.027 40 0 CDABRO c1cnc2c(n[nH]c2[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000019404280 356484142 /nfs/dbraw/zinc/48/41/42/356484142.db2.gz OCHYDNASPCMYAS-LLVKDONJSA-N 1 0 257.341 1.942 40 0 CDABRO OC1CC[NH+](Cc2ccnc(-c3ccncc3)n2)CC1 ZINC000019405930 356485171 /nfs/dbraw/zinc/48/51/71/356485171.db2.gz FUCOPSNGSVEBTC-UHFFFAOYSA-N 1 0 270.336 1.495 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000019976408 356521002 /nfs/dbraw/zinc/52/10/02/356521002.db2.gz HNTFIQHYJJSTQN-NSHDSACASA-N 1 0 285.388 1.049 40 0 CDABRO [NH3+]CC(=O)N(Cc1ccc(Br)cc1)C1CC1 ZINC000032128728 356833144 /nfs/dbraw/zinc/83/31/44/356833144.db2.gz AEMBBXDQKZOVDW-UHFFFAOYSA-N 1 0 283.169 1.899 40 0 CDABRO [NH3+]CCO[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390643 356988109 /nfs/dbraw/zinc/98/81/09/356988109.db2.gz HDLNZUVBLAWZQJ-ZDUSSCGKSA-N 1 0 264.325 1.373 40 0 CDABRO [NH3+]CCN1CC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411374 356993684 /nfs/dbraw/zinc/99/36/84/356993684.db2.gz NMYCCDRRGOHSMV-CQSZACIVSA-N 1 0 277.368 1.193 40 0 CDABRO [NH3+]CCN1CCC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000079411388 356994016 /nfs/dbraw/zinc/99/40/16/356994016.db2.gz QZZKFNUSURLXKY-AWEZNQCLSA-N 1 0 277.368 1.336 40 0 CDABRO CNc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC000019655622 358103451 /nfs/dbraw/zinc/10/34/51/358103451.db2.gz WRAFBVSMYFXTTA-AWEZNQCLSA-N 1 0 288.395 1.824 40 0 CDABRO Cc1nn(C)c(C)c1-c1noc([C@H]2CCC[NH2+]CC2)n1 ZINC000095095446 366391027 /nfs/dbraw/zinc/39/10/27/366391027.db2.gz MJTYNHPMEWPMFJ-NSHDSACASA-N 1 0 275.356 1.944 40 0 CDABRO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CCOCC1 ZINC000096057780 358707387 /nfs/dbraw/zinc/70/73/87/358707387.db2.gz CGLHFDDAMQYNAY-BFHYXJOUSA-N 1 0 255.358 1.291 40 0 CDABRO O=C1CO[C@@H]2CN(Cc3cccs3)C[C@H]2N1CC1CC1 ZINC000096054253 358707637 /nfs/dbraw/zinc/70/76/37/358707637.db2.gz TXVAXWGRHKKKCU-ZIAGYGMSSA-N 1 0 292.404 1.570 40 0 CDABRO C[NH+](C)[C@@H]1COC2(C1)CCN(C(=O)c1ccncc1)CC2 ZINC000096158632 358709902 /nfs/dbraw/zinc/70/99/02/358709902.db2.gz CLFSUCYOPKKJFT-AWEZNQCLSA-N 1 0 289.379 1.407 40 0 CDABRO O=C(c1cnccn1)N1C[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2C1 ZINC000096182286 358713339 /nfs/dbraw/zinc/71/33/39/358713339.db2.gz PEOIAAQLFQKRDF-BETUJISGSA-N 1 0 298.346 1.274 40 0 CDABRO c1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@@H]2CCOC2)nc1 ZINC000096184729 358714401 /nfs/dbraw/zinc/71/44/01/358714401.db2.gz VMJNFHWRTIRIRL-UAGQMJEPSA-N 1 0 287.407 1.767 40 0 CDABRO COCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccoc1)C2 ZINC000096202746 358718944 /nfs/dbraw/zinc/71/89/44/358718944.db2.gz IGPQOMQAKWBBNI-UHFFFAOYSA-N 1 0 278.352 1.350 40 0 CDABRO c1cnc(N2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096202510 358719335 /nfs/dbraw/zinc/71/93/35/358719335.db2.gz VNFDRAHJOPQGLC-UHFFFAOYSA-N 1 0 281.363 1.584 40 0 CDABRO CC(=O)N1CCC2(C[C@H](OCC[NH+]3CCCC3)CO2)CC1 ZINC000096209574 358721438 /nfs/dbraw/zinc/72/14/38/358721438.db2.gz RYRBJTXXQRZVAR-HNNXBMFYSA-N 1 0 296.411 1.269 40 0 CDABRO O=C(C1CC1)N1C[C@@H]2CC[N@H+](Cc3ccco3)[C@@H]2C1 ZINC000096246075 358725838 /nfs/dbraw/zinc/72/58/38/358725838.db2.gz YDNWXVUHEVRRLC-GXTWGEPZSA-N 1 0 260.337 1.722 40 0 CDABRO c1nc2c(c(C3CC3)n1)CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096255123 358729078 /nfs/dbraw/zinc/72/90/78/358729078.db2.gz GQHGGXVFUPOSQK-GFCCVEGCSA-N 1 0 273.380 1.791 40 0 CDABRO Cc1c(CN(CCO)Cc2cccs2)cnn1C ZINC000013997471 366506364 /nfs/dbraw/zinc/50/63/64/366506364.db2.gz MVTVDIICUFHCKY-UHFFFAOYSA-N 1 0 265.382 1.785 40 0 CDABRO [NH3+]C[C@H]1CCN(c2ccccc2Cl)S1(=O)=O ZINC000222543186 359353073 /nfs/dbraw/zinc/35/30/73/359353073.db2.gz BBUMVTDQGLAOKD-MRVPVSSYSA-N 1 0 260.746 1.207 40 0 CDABRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]12 ZINC000225581648 189758069 /nfs/dbraw/zinc/75/80/69/189758069.db2.gz MGNHTLZJKIBVTL-WCFLWFBJSA-N 1 0 266.366 1.044 40 0 CDABRO COc1cc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1O ZINC000100744523 374157872 /nfs/dbraw/zinc/15/78/72/374157872.db2.gz GWWGRYGNRKFSSX-GDNZZTSVSA-N 1 0 277.320 1.841 40 0 biogenic CDABRO Cc1cccc(OC[C@H](O)CN2CCC[NH2+]CC2)c1C ZINC000064875899 374241396 /nfs/dbraw/zinc/24/13/96/374241396.db2.gz AEABQCKOYCQZBI-OAHLLOKOSA-N 1 0 278.396 1.338 40 0 CDABRO C[N@@H+]1CCC[C@@](CCCc2ccncc2)(C(N)=O)C1 ZINC000257201116 190010686 /nfs/dbraw/zinc/01/06/86/190010686.db2.gz AGJFLBSCXXUWDA-OAHLLOKOSA-N 1 0 261.369 1.602 40 0 CDABRO Cc1nc[nH]c1C[N@@H+]1CC[C@@H](c2nccc(C)n2)C1 ZINC000257210028 190012199 /nfs/dbraw/zinc/01/21/99/190012199.db2.gz BSVFWDSMJNAJIN-GFCCVEGCSA-N 1 0 257.341 1.806 40 0 CDABRO Cc1c[nH]c(-c2cc(CC3CC[NH2+]CC3)ncn2)n1 ZINC000257254726 190020812 /nfs/dbraw/zinc/02/08/12/190020812.db2.gz KEKGPYHDTIEQPE-UHFFFAOYSA-N 1 0 257.341 1.717 40 0 CDABRO COCC[N@@H+]1CCC[C@H](c2cncc(-c3cn[nH]c3)n2)C1 ZINC000257246734 190019213 /nfs/dbraw/zinc/01/92/13/190019213.db2.gz IVOUOBQUWHWJOZ-LBPRGKRZSA-N 1 0 287.367 1.693 40 0 CDABRO O[C@H]1C[N@H+](CCOc2ccccc2)CC[C@@]12CCCO2 ZINC000257264520 190022953 /nfs/dbraw/zinc/02/29/53/190022953.db2.gz LUTWBVIZUPNYFC-HOTGVXAUSA-N 1 0 277.364 1.681 40 0 CDABRO COC[C@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217989861 375771242 /nfs/dbraw/zinc/77/12/42/375771242.db2.gz VIWMYMDRNJLKBZ-QWHCGFSZSA-N 1 0 269.366 1.133 40 0 CDABRO Nc1nccnc1C[C@@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000257296741 190028443 /nfs/dbraw/zinc/02/84/43/190028443.db2.gz REEUOXIAZBNQFP-LBPRGKRZSA-N 1 0 284.367 1.304 40 0 CDABRO Cn1cncc1-c1ncccc1C(=O)NC1CC[NH+](C)CC1 ZINC000257330721 190035631 /nfs/dbraw/zinc/03/56/31/190035631.db2.gz XPPUPUGYTDGDHP-UHFFFAOYSA-N 1 0 299.378 1.306 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1O ZINC000257333958 190035953 /nfs/dbraw/zinc/03/59/53/190035953.db2.gz YDWIFYHSNKAZNK-HUUCEWRRSA-N 1 0 290.407 1.731 40 0 CDABRO COc1ccc(C[C@@H](C)NC(=O)C(C)(C)[NH3+])cc1OC ZINC000262448065 190055481 /nfs/dbraw/zinc/05/54/81/190055481.db2.gz DMGDIOVHOYHBSV-SNVBAGLBSA-N 1 0 280.368 1.488 40 0 CDABRO CN(Cc1cccs1)C[C@]1(O)CCC[N@H+](C)C1 ZINC000041123523 379333812 /nfs/dbraw/zinc/33/38/12/379333812.db2.gz PCPNVIYFYNSKOY-ZDUSSCGKSA-N 1 0 254.399 1.637 40 0 CDABRO CC(=O)Nc1ccc2sc(C)[n+](CCO)c2c1 ZINC000000297003 169600503 /nfs/dbraw/zinc/60/05/03/169600503.db2.gz ZUZZMKMWCLYYTL-UHFFFAOYSA-O 1 0 251.331 1.448 40 0 CDABRO O[C@@H]1CC=C2CC[N@@H+]3Cc4cc5c(cc4[C@H]1[C@H]23)OCO5 ZINC000005734928 285309846 /nfs/dbraw/zinc/30/98/46/285309846.db2.gz XKYSLILSDJBMCU-WQVCFCJDSA-N 1 0 271.316 1.778 40 0 CDABRO CC(=O)N1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216515 256710732 /nfs/dbraw/zinc/71/07/32/256710732.db2.gz AGQQSMSJJRMLDZ-OAHLLOKOSA-N 1 0 288.395 1.517 40 0 CDABRO C[C@H]1Cc2ccccc2N1C[C@]1(O)CCC[N@H+](C)C1 ZINC000072240972 390246969 /nfs/dbraw/zinc/24/69/69/390246969.db2.gz XHIONXYOTPIENM-BBRMVZONSA-N 1 0 260.381 1.894 40 0 CDABRO CN(Cc1nn(C)c2c1C[NH2+]CC2)C(=O)OC(C)(C)C ZINC000072209779 390619580 /nfs/dbraw/zinc/61/95/80/390619580.db2.gz FMXLNRZMWXKHAK-UHFFFAOYSA-N 1 0 280.372 1.433 40 0 CDABRO CC(C)C(=O)N1CCCC[C@@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072344099 390627208 /nfs/dbraw/zinc/62/72/08/390627208.db2.gz ZMDIQMNEZNMOOW-GFCCVEGCSA-N 1 0 291.399 1.433 40 0 CDABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1C[NH2+]CCO1 ZINC000072343620 390627220 /nfs/dbraw/zinc/62/72/20/390627220.db2.gz YQRRNQFUNPWEHS-SNVBAGLBSA-N 1 0 291.376 1.659 40 0 CDABRO CC(C)NC(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC000096157354 390913303 /nfs/dbraw/zinc/91/33/03/390913303.db2.gz ZNWBRQROWSVZJH-UONOGXRCSA-N 1 0 259.353 1.676 40 0 CDABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)C1 ZINC000306123095 392105508 /nfs/dbraw/zinc/10/55/08/392105508.db2.gz AEIMMDQKHJRTPC-BFHYXJOUSA-N 1 0 280.412 1.602 40 0 CDABRO COc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000004713082 170003391 /nfs/dbraw/zinc/00/33/91/170003391.db2.gz YMLKPRALEGPJBK-NSHDSACASA-N 1 0 264.325 1.784 40 0 CDABRO NC(=[NH2+])SCCCN1C(=O)c2ccccc2C1=O ZINC000006117084 170177205 /nfs/dbraw/zinc/17/72/05/170177205.db2.gz QXBLLGSTKVWHNY-UHFFFAOYSA-N 1 0 263.322 1.299 40 0 CDABRO O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1[NH+]1CCCC1 ZINC000019334326 170775405 /nfs/dbraw/zinc/77/54/05/170775405.db2.gz IKGOVZNGNKCSPW-HZPDHXFCSA-N 1 0 278.371 1.857 40 0 CDABRO CCOc1ccc(CNCC[NH2+]C[C@@H](C)O)cc1OCC ZINC000022076044 171352190 /nfs/dbraw/zinc/35/21/90/171352190.db2.gz MJYWNAIJQLWQMX-CYBMUJFWSA-N 1 0 296.411 1.544 40 0 CDABRO Cc1nccn1Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000044910137 175275530 /nfs/dbraw/zinc/27/55/30/175275530.db2.gz GMKRGFSHTGRWNS-UHFFFAOYSA-N 1 0 286.379 1.531 40 0 CDABRO [NH3+]CCn1cc(-c2nc(-c3cccc(F)c3)no2)nn1 ZINC000072226794 176343323 /nfs/dbraw/zinc/34/33/23/176343323.db2.gz IMLYMYAETVHTBV-UHFFFAOYSA-N 1 0 274.259 1.093 40 0 CDABRO CN(C)C(=O)[C@]1(CCCc2cccnc2)CCC[NH2+]1 ZINC000072344201 176372557 /nfs/dbraw/zinc/37/25/57/176372557.db2.gz CDLYKXXZCKUJBA-HNNXBMFYSA-N 1 0 261.369 1.615 40 0 CDABRO CC(C)C[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000072361111 176376970 /nfs/dbraw/zinc/37/69/70/176376970.db2.gz JHLVOVDNOCGKPH-JTQLQIEISA-N 1 0 250.346 1.344 40 0 CDABRO C[C@]1(C(=O)N2CCC(Cc3cccnn3)CC2)CCC[NH2+]1 ZINC000072367352 176381861 /nfs/dbraw/zinc/38/18/61/176381861.db2.gz UJWFJVQUFUZVMC-MRXNPFEDSA-N 1 0 288.395 1.400 40 0 CDABRO COc1cccc(S(=O)(=O)C2CC[NH2+]CC2)c1 ZINC000083294915 260301992 /nfs/dbraw/zinc/30/19/92/260301992.db2.gz AARNJCMOGIPJLQ-UHFFFAOYSA-N 1 0 255.339 1.221 40 0 CDABRO O=C1c2cccn2[C@@H]2C[NH2+]C[C@H]2N1Cc1ccccc1 ZINC000306124843 275031395 /nfs/dbraw/zinc/03/13/95/275031395.db2.gz CATAUEMTKPLIJY-HUUCEWRRSA-N 1 0 267.332 1.657 40 0 CDABRO CC[NH+]1CCC(O)([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000002042234 276360363 /nfs/dbraw/zinc/36/03/63/276360363.db2.gz RBVVLZFGQZUYFP-CQSZACIVSA-N 1 0 277.364 1.790 40 0 CDABRO C[NH+]1CCC(c2cccc(C(=O)Nc3cc[nH]n3)n2)CC1 ZINC000072355767 277035201 /nfs/dbraw/zinc/03/52/01/277035201.db2.gz DJSITAJSZYMNHW-UHFFFAOYSA-N 1 0 285.351 1.866 40 0 CDABRO CNC(=O)N[C@@H]1c2cccc(F)c2[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000107273305 277238495 /nfs/dbraw/zinc/23/84/95/277238495.db2.gz WQFIWSNKTKGFCZ-GBIKHYSHSA-N 1 0 263.316 1.455 40 0 CDABRO CC(=O)N(C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000079418047 277971102 /nfs/dbraw/zinc/97/11/02/277971102.db2.gz UYCNEIOMSGPLBO-GJZGRUSLSA-N 1 0 297.443 1.608 40 0 CDABRO CC1(C)C[C@@H](C[NH2+]CCN2CCOCC2)CCO1 ZINC000027666626 278360316 /nfs/dbraw/zinc/36/03/16/278360316.db2.gz VSYJWTXZECFENC-ZDUSSCGKSA-N 1 0 256.390 1.113 40 0 CDABRO Oc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH2+]C2 ZINC000003851344 280453712 /nfs/dbraw/zinc/45/37/12/280453712.db2.gz UAJBMQOTHJIJOI-WBIUFABUSA-N 1 0 259.305 1.205 40 0 in-vitro CDABRO CN(C)C(=O)CO[C@@H]1CCOC2(C[NH+](C3CCCC3)C2)C1 ZINC000248037514 281937379 /nfs/dbraw/zinc/93/73/79/281937379.db2.gz VBCHPLGFZJUZNU-CQSZACIVSA-N 1 0 296.411 1.267 40 0 CDABRO C[C@@]12C[C@H]3CN(C(=O)c4ccno4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257333658 297943260 /nfs/dbraw/zinc/94/32/60/297943260.db2.gz YCMMLNFFXPAFSC-DNVSUFBTSA-N 1 0 275.352 1.810 40 0 CDABRO CCOC(=O)c1ccc([C@@H]2C[C@H]([NH3+])CN(C)C2)cc1 ZINC001772715256 1159457318 /nfs/dbraw/zinc/45/73/18/1159457318.db2.gz KFXLVPQUYUEZFZ-KGLIPLIRSA-N 1 0 262.353 1.610 40 0 CDABRO CC(C)CCC(=O)N1Cc2ccnn2[C@H](C[NH+](C)C)C1 ZINC000575406888 342451946 /nfs/dbraw/zinc/45/19/46/342451946.db2.gz XBANPWHKCDIWMK-CQSZACIVSA-N 1 0 278.400 1.764 40 0 CDABRO O=C(C[C@@H]1COC[C@H]2C[NH2+]C[C@H]21)NCCc1cccs1 ZINC000096040869 185069638 /nfs/dbraw/zinc/06/96/38/185069638.db2.gz ZMRGJWIDEZZXEE-BZPMIXESSA-N 1 0 294.420 1.279 40 0 CDABRO CCOC(=O)c1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000041079780 361783554 /nfs/dbraw/zinc/78/35/54/361783554.db2.gz GJLIUYWZJGOIPQ-UHFFFAOYSA-N 1 0 263.341 1.197 40 0 CDABRO Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)C[N@H+](C)C2 ZINC000253612982 362443237 /nfs/dbraw/zinc/44/32/37/362443237.db2.gz IHANDCBTRBCAOM-NSHDSACASA-N 1 0 290.392 1.327 40 0 CDABRO O=C(NC1CCC1)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257213021 136593956 /nfs/dbraw/zinc/59/39/56/136593956.db2.gz CFWUGZZVBKSLNQ-CQSZACIVSA-N 1 0 277.343 1.273 40 0 CDABRO CCOCC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000075617864 346767064 /nfs/dbraw/zinc/76/70/64/346767064.db2.gz XWMQFSPSNFQIGV-UHFFFAOYSA-N 1 0 286.441 1.501 40 0 CDABRO Cc1ncc(C[N@@H+]2CCC[C@]3(CCNC3=O)CC2)cn1 ZINC000108530836 186221716 /nfs/dbraw/zinc/22/17/16/186221716.db2.gz BWOBBONMUYIXIO-HNNXBMFYSA-N 1 0 274.368 1.277 40 0 CDABRO CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cncn1C)C2 ZINC000108535796 186222702 /nfs/dbraw/zinc/22/27/02/186222702.db2.gz RBLNWRQCEDSKPF-DZGCQCFKSA-N 1 0 276.384 1.158 40 0 CDABRO Cn1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000002782024 355982430 /nfs/dbraw/zinc/98/24/30/355982430.db2.gz YFSVQFBBDIKRAV-UHFFFAOYSA-N 1 0 264.373 1.459 40 0 CDABRO CN1C=[N+](S(=O)(=O)C2C=CC=CC=C2)C(C)(C)C1(C)C ZINC000017126157 356454712 /nfs/dbraw/zinc/45/47/12/356454712.db2.gz DTZHAGIHUXSUAM-UHFFFAOYSA-N 1 0 295.428 1.910 40 0 CDABRO CN(C)CC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000019582923 356491943 /nfs/dbraw/zinc/49/19/43/356491943.db2.gz KEQLFCKUAFRGAQ-UHFFFAOYSA-N 1 0 296.378 1.443 40 0 CDABRO CNC(=O)C[NH+]1CCC(Cn2cnc3ccccc32)CC1 ZINC000036708887 356877490 /nfs/dbraw/zinc/87/74/90/356877490.db2.gz GYNQKTBGEDBDAE-UHFFFAOYSA-N 1 0 286.379 1.494 40 0 CDABRO [NH3+]CCS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000036720673 356878772 /nfs/dbraw/zinc/87/87/72/356878772.db2.gz LBOGSZOKFLMBLL-UHFFFAOYSA-N 1 0 268.165 1.867 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079409552 356992422 /nfs/dbraw/zinc/99/24/22/356992422.db2.gz DHLNMATUWBDFFP-QWRGUYRKSA-N 1 0 285.388 1.192 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@H]1CCC[N@@H+]1CCO)C1CC1 ZINC000079408187 356992664 /nfs/dbraw/zinc/99/26/64/356992664.db2.gz ZOGZLUGGTWQZEC-CYBMUJFWSA-N 1 0 284.400 1.843 40 0 CDABRO CN(C(=O)OCc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000079410966 356993543 /nfs/dbraw/zinc/99/35/43/356993543.db2.gz NZMYVYCVJYXHDB-UHFFFAOYSA-N 1 0 292.379 1.712 40 0 CDABRO Cc1ccc(C)c(OCC(=O)NC2CC[NH+](C)CC2)c1 ZINC000047829400 357165390 /nfs/dbraw/zinc/16/53/90/357165390.db2.gz GXFSOJVGXSHKBH-UHFFFAOYSA-N 1 0 276.380 1.893 40 0 CDABRO COC[C@](C)(NC(=O)C[NH+](C)C)c1ccccc1 ZINC000135166664 357743111 /nfs/dbraw/zinc/74/31/11/357743111.db2.gz KQJJXMAJCDJLLC-AWEZNQCLSA-N 1 0 250.342 1.226 40 0 CDABRO C[C@H]1CCC[N@H+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397373 357831815 /nfs/dbraw/zinc/83/18/15/357831815.db2.gz ZVSWVLRLGPVXER-ZDUSSCGKSA-N 1 0 276.384 1.545 40 0 CDABRO C[C@H]1CN([C@@H](C[NH3+])c2cccc(F)c2)C[C@H](C)O1 ZINC000036874767 358616372 /nfs/dbraw/zinc/61/63/72/358616372.db2.gz KOSVWTNJZPXZKA-MJVIPROJSA-N 1 0 252.333 1.935 40 0 CDABRO COC[C@]12CCCO[C@@H]1CC[N@H+](CC1CCOCC1)C2 ZINC000096056772 358707068 /nfs/dbraw/zinc/70/70/68/358707068.db2.gz VHQFVCVHLZKTKM-HZPDHXFCSA-N 1 0 283.412 1.931 40 0 CDABRO C[NH+](C)[C@H]1COC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096158617 358709929 /nfs/dbraw/zinc/70/99/29/358709929.db2.gz ACCVJUUYORMHMH-GFCCVEGCSA-N 1 0 280.347 1.305 40 0 CDABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2C(=O)CC2CC2)cn1 ZINC000096200927 358718381 /nfs/dbraw/zinc/71/83/81/358718381.db2.gz LULQTOJNQLEBEE-CABCVRRESA-N 1 0 290.411 1.294 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1nc(C)cs1)CC[C@@H]2OC ZINC000096206936 358720313 /nfs/dbraw/zinc/72/03/13/358720313.db2.gz XJSKFCPAAGPFPQ-MJBXVCDLSA-N 1 0 295.452 1.993 40 0 CDABRO Cc1cnnn1Cc1ncn2c1C[N@H+](CC1CC1)CCC2 ZINC000096259471 358729097 /nfs/dbraw/zinc/72/90/97/358729097.db2.gz KXWZITBSTZSHDT-UHFFFAOYSA-N 1 0 286.383 1.447 40 0 CDABRO CN1CCO[C@]2(CCC[N@H+](Cc3ccoc3)C2)C1 ZINC000096268628 358730402 /nfs/dbraw/zinc/73/04/02/358730402.db2.gz TVESNFLBFNZSSQ-CQSZACIVSA-N 1 0 250.342 1.576 40 0 CDABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2[C@H]2CCOC2)N1c1ccsc1 ZINC000107198681 359016688 /nfs/dbraw/zinc/01/66/88/359016688.db2.gz GAKZXYNNJCUPDS-UHTWSYAYSA-N 1 0 278.377 1.717 40 0 CDABRO C[C@H](O)C[NH+]1CCC(CN(C)c2cnccn2)CC1 ZINC000112556442 359331622 /nfs/dbraw/zinc/33/16/22/359331622.db2.gz PKDRIIYUODSLHU-LBPRGKRZSA-N 1 0 264.373 1.006 40 0 CDABRO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[NH2+]C[C@H]21 ZINC000514290375 360126561 /nfs/dbraw/zinc/12/65/61/360126561.db2.gz ZGMZMPZLMMIVJG-ZBFHGGJFSA-N 1 0 295.342 1.553 40 0 biogenic,in-vitro CDABRO CNS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000133480521 283619919 /nfs/dbraw/zinc/61/99/19/283619919.db2.gz CIATYASZPCPSSE-CABCVRRESA-N 1 0 296.436 1.852 40 0 CDABRO COc1cccc(-c2c(N)n(C)nc2C[NH+](C)C)c1 ZINC000026511940 370728333 /nfs/dbraw/zinc/72/83/33/370728333.db2.gz ODBHZYUQOIWUEM-UHFFFAOYSA-N 1 0 260.341 1.740 40 0 CDABRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1C ZINC000225600809 284060676 /nfs/dbraw/zinc/06/06/76/284060676.db2.gz NOFMBKAGFXNTPR-YIZRAAEISA-N 1 0 269.263 1.041 40 0 CDABRO Cc1scc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1C ZINC000294137794 370959426 /nfs/dbraw/zinc/95/94/26/370959426.db2.gz AFQQTCKKCKMCJF-ZDUSSCGKSA-N 1 0 296.436 1.942 40 0 CDABRO Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000072798664 541874592 /nfs/dbraw/zinc/87/45/92/541874592.db2.gz OLNSRNHAFQNTLZ-CQSZACIVSA-N 1 0 276.380 1.832 40 0 CDABRO O[C@H](C[NH2+]C1CC1)c1ccc(Br)cn1 ZINC000130121881 374043884 /nfs/dbraw/zinc/04/38/84/374043884.db2.gz ZJCUMJUPCWRNMK-SNVBAGLBSA-N 1 0 257.131 1.630 40 0 CDABRO Clc1ccc(-c2nnc(CN3CC[NH2+]CC3)[nH]2)cc1 ZINC000064875461 374241155 /nfs/dbraw/zinc/24/11/55/374241155.db2.gz RKONUPSFPFQUQD-UHFFFAOYSA-N 1 0 277.759 1.530 40 0 CDABRO CCN(CC)c1cc(N2CCC[C@@H]([NH2+]C)C2)ncn1 ZINC000079440084 374405121 /nfs/dbraw/zinc/40/51/21/374405121.db2.gz KAKCSGJYXYNDKU-GFCCVEGCSA-N 1 0 263.389 1.511 40 0 CDABRO COc1cccc(SCC(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000079065115 374766689 /nfs/dbraw/zinc/76/66/89/374766689.db2.gz MAEREYDEDLJRSQ-LBPRGKRZSA-N 1 0 294.420 1.998 40 0 CDABRO C[C@@H]1CCCC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000225772574 375202285 /nfs/dbraw/zinc/20/22/85/375202285.db2.gz GSWPIKPDAOVEGS-CQSZACIVSA-N 1 0 267.417 1.273 40 0 CDABRO NCC(F)(F)CNC(=O)[C@@H]1CCCc2ccccc21 ZINC000162584066 375387340 /nfs/dbraw/zinc/38/73/40/375387340.db2.gz FRZUVKUKVUHNSZ-GFCCVEGCSA-N 1 0 268.307 1.817 40 0 CDABRO Cn1cc(C[NH2+]CCCCO)c(C(F)(F)F)n1 ZINC000256051530 190003672 /nfs/dbraw/zinc/00/36/72/190003672.db2.gz JMWPVGRBMPXQOO-UHFFFAOYSA-N 1 0 251.252 1.301 40 0 CDABRO Cn1nc(C(F)(F)F)cc1CNCCC[NH+](C)C ZINC000256051810 190003921 /nfs/dbraw/zinc/00/39/21/190003921.db2.gz KOMRBIJEIUWVME-UHFFFAOYSA-N 1 0 264.295 1.480 40 0 CDABRO CC(C)Oc1ccc(C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)cc1 ZINC000257200339 190011088 /nfs/dbraw/zinc/01/10/88/190011088.db2.gz ACXMIEHMXLWDNC-HUUCEWRRSA-N 1 0 292.379 1.221 40 0 CDABRO Cc1nc(NCCc2cnccn2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000257203308 190011404 /nfs/dbraw/zinc/01/14/04/190011404.db2.gz APLOEJKCXORNFE-ZDUSSCGKSA-N 1 0 298.394 1.697 40 0 CDABRO Cc1ncc(CN2CC[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000257228725 190016068 /nfs/dbraw/zinc/01/60/68/190016068.db2.gz FUZPPITUPSXXSR-INIZCTEOSA-N 1 0 268.364 1.932 40 0 CDABRO CCOCC[N@@H+]1CCC[C@H](Cc2nccnc2NC)C1 ZINC000257229170 190016444 /nfs/dbraw/zinc/01/64/44/190016444.db2.gz FWYTWIHHHYOQJT-CYBMUJFWSA-N 1 0 278.400 1.809 40 0 CDABRO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cncn3C)C2)n1 ZINC000257219013 190014247 /nfs/dbraw/zinc/01/42/47/190014247.db2.gz DFGKLSCYRUNGON-LBPRGKRZSA-N 1 0 259.357 1.831 40 0 CDABRO COCC[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000257291631 190027540 /nfs/dbraw/zinc/02/75/40/190027540.db2.gz QHXJTGKTOVPHCB-DOTOQJQBSA-N 1 0 288.391 1.771 40 0 CDABRO CO[C@@H]1CCCOC12CC[NH+](Cc1[nH]cnc1C)CC2 ZINC000257274358 190024674 /nfs/dbraw/zinc/02/46/74/190024674.db2.gz NKRBGCVMEJXAKW-CQSZACIVSA-N 1 0 279.384 1.878 40 0 CDABRO Cc1noc(C)c1-c1cncc(C[C@H]2CC[NH2+]C2)n1 ZINC000257289858 190027644 /nfs/dbraw/zinc/02/76/44/190027644.db2.gz QAMOVPMMSARMEP-LLVKDONJSA-N 1 0 258.325 1.900 40 0 CDABRO Nc1cc(CC[C@@H]2CN(Cc3ncc[nH]3)CCO2)cc[nH+]1 ZINC000257301460 190030427 /nfs/dbraw/zinc/03/04/27/190030427.db2.gz RYNKCWGRYPYRLR-CYBMUJFWSA-N 1 0 287.367 1.221 40 0 CDABRO C[N@@H+]1CCN(Cc2ccc3ccccc3n2)C[C@H](C(N)=O)C1 ZINC000257304260 190030644 /nfs/dbraw/zinc/03/06/44/190030644.db2.gz SKUDIFVFQFTURI-CQSZACIVSA-N 1 0 298.390 1.084 40 0 CDABRO COCc1cc(CC2([NH2+]CCC(C)C)COC2)no1 ZINC000067897974 377287232 /nfs/dbraw/zinc/28/72/32/377287232.db2.gz FEBCNWTUUCKIBD-UHFFFAOYSA-N 1 0 268.357 1.768 40 0 biogenic,in-vitro CDABRO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000070922015 379508823 /nfs/dbraw/zinc/50/88/23/379508823.db2.gz XSMUQADEYMGMNV-UHFFFAOYSA-N 1 0 295.408 1.380 40 0 CDABRO C[C@@H]1CCCCN1S(=O)(=O)c1ccsc1C[NH3+] ZINC000015424077 296321104 /nfs/dbraw/zinc/32/11/04/296321104.db2.gz QZCGHWDOVGCECW-SECBINFHSA-N 1 0 274.411 1.770 40 0 CDABRO CC[NH+](CC)[C@H]1COC[C@@H]2CN(Cc3nccn3C)C[C@@H]21 ZINC000096186816 256816803 /nfs/dbraw/zinc/81/68/03/256816803.db2.gz ZAEBOXYCECUXFD-KKUMJFAQSA-N 1 0 292.427 1.209 40 0 CDABRO CC[N@@H+]1C[C@H](COC)[C@]2(CCN(C(=O)N3CCCC3)C2)C1 ZINC000096220035 256827559 /nfs/dbraw/zinc/82/75/59/256827559.db2.gz SBPUONZSYKMYOM-GDBMZVCRSA-N 1 0 295.427 1.492 40 0 CDABRO CC[C@@H]([NH3+])c1cnc(N2CCN(C=O)CC2)cc1C ZINC000072223688 390624277 /nfs/dbraw/zinc/62/42/77/390624277.db2.gz PJFGQZJUJXOFJX-CYBMUJFWSA-N 1 0 262.357 1.078 40 0 CDABRO C[C@H]([NH3+])[C@@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000072208291 390616474 /nfs/dbraw/zinc/61/64/74/390616474.db2.gz UXYKRUPUCPDXKJ-GXTWGEPZSA-N 1 0 262.353 1.366 40 0 CDABRO c1ccc(CN2C[C@@]3(CC[NH2+]C3)c3ncccc32)nc1 ZINC000306144388 285477760 /nfs/dbraw/zinc/47/77/60/285477760.db2.gz ZDYDSYWABMRJMH-INIZCTEOSA-N 1 0 266.348 1.728 40 0 CDABRO COC(=O)c1cc2c(nc1N(C)C1CC1)CC[NH2+]CC2 ZINC000306136434 292005530 /nfs/dbraw/zinc/00/55/30/292005530.db2.gz PTHBBVYCVKJOBG-UHFFFAOYSA-N 1 0 275.352 1.155 40 0 CDABRO CCc1ccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000005043953 170060169 /nfs/dbraw/zinc/06/01/69/170060169.db2.gz YHFJGAYWHWKJIP-UHFFFAOYSA-N 1 0 289.379 1.303 40 0 CDABRO Cc1cc(C)c(NC(=O)C(=O)NCC[NH+](C)C)c(C)c1 ZINC000005251352 170079949 /nfs/dbraw/zinc/07/99/49/170079949.db2.gz QDQINVARVNWICU-UHFFFAOYSA-N 1 0 277.368 1.228 40 0 CDABRO COc1cc(C[NH2+]CC(C)C)ccc1OCC(N)=O ZINC000005817286 170142875 /nfs/dbraw/zinc/14/28/75/170142875.db2.gz TVRBRSIDJZSTQO-UHFFFAOYSA-N 1 0 266.341 1.305 40 0 CDABRO O=C(NCC[NH+]1CCCCC1)c1cccnc1Cl ZINC000008051457 170316695 /nfs/dbraw/zinc/31/66/95/170316695.db2.gz CXOIOOJTSJWNBE-UHFFFAOYSA-N 1 0 267.760 1.951 40 0 CDABRO C[N@@H+]1CCC[C@H](CNC(=S)NCc2ccco2)C1 ZINC000009876506 170388096 /nfs/dbraw/zinc/38/80/96/170388096.db2.gz YEQARTZAKPVZCP-LLVKDONJSA-N 1 0 267.398 1.586 40 0 CDABRO COc1ccc(-c2ccc(=O)n(C[C@H](C)[NH3+])n2)cc1 ZINC000013566195 170563446 /nfs/dbraw/zinc/56/34/46/170563446.db2.gz FFPMKYFPUBMZJR-JTQLQIEISA-N 1 0 259.309 1.266 40 0 CDABRO CS(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044871798 175268702 /nfs/dbraw/zinc/26/87/02/175268702.db2.gz KYIXUJKJXFJXDL-UHFFFAOYSA-N 1 0 268.382 1.332 40 0 CDABRO C[NH+](C)CCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000045164974 175318586 /nfs/dbraw/zinc/31/85/86/175318586.db2.gz HTFBAHROXWRSEF-UHFFFAOYSA-N 1 0 290.285 1.762 40 0 CDABRO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000072367994 176382929 /nfs/dbraw/zinc/38/29/29/176382929.db2.gz OLFSAZVBMYOZHI-ZDUSSCGKSA-N 1 0 264.373 1.158 40 0 CDABRO C[N@@H+]1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000072383487 176388884 /nfs/dbraw/zinc/38/88/84/176388884.db2.gz CODUKAZUXXQVIE-LBPRGKRZSA-N 1 0 284.367 1.895 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc2cccnc21 ZINC000072397659 176394714 /nfs/dbraw/zinc/39/47/14/176394714.db2.gz QOLXLKGUIRIETM-XOKHGSTOSA-N 1 0 297.402 1.874 40 0 CDABRO CCOc1ccccc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C ZINC000072397638 176394847 /nfs/dbraw/zinc/39/48/47/176394847.db2.gz YHFBDIDDXVRNDG-VNQPRFMTSA-N 1 0 290.407 1.725 40 0 CDABRO CCNC(=O)[C@@H]1CCC[N@@H+]1C1(C(=O)NC)CCCCC1 ZINC000096113076 265330052 /nfs/dbraw/zinc/33/00/52/265330052.db2.gz OBWAFBHYMXFPIO-LBPRGKRZSA-N 1 0 281.400 1.036 40 0 biogenic,in-vitro CDABRO CO[C@@H]1C[C@H]([NH3+])[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 ZINC000005572732 274071748 /nfs/dbraw/zinc/07/17/48/274071748.db2.gz YHLKFUVZZXJDKE-YHQUGGNUSA-N 1 0 265.309 1.189 40 0 CDABRO C[C@@H]1OC(=O)[C@H]2[C@H]1[N@@H+]1CCc3ccccc3[C@@H]1C[C@@H]2O ZINC000016036786 279038877 /nfs/dbraw/zinc/03/88/77/279038877.db2.gz MPEJFJFZVUSBET-MKJLKUPLSA-N 1 0 273.332 1.281 40 0 CDABRO C[C@@]12C[C@H]3CN(C(=O)c4cccnc4)[C@@H]1CCC[C@@H]2[NH2+]3 ZINC000257286099 289231405 /nfs/dbraw/zinc/23/14/05/289231405.db2.gz PKGMKJDUUIRGPL-AYDFFVQHSA-N 1 0 271.364 1.827 40 0 CDABRO Cc1ccc(N2CC[C@H](C[NH3+])S2(=O)=O)c(C)c1 ZINC000260766176 328067270 /nfs/dbraw/zinc/06/72/70/328067270.db2.gz JEXCSOUHLBVDDG-LLVKDONJSA-N 1 0 254.355 1.171 40 0 CDABRO CCc1ccccc1N1CC[C@H](C[NH3+])S1(=O)=O ZINC000260781646 328069950 /nfs/dbraw/zinc/06/99/50/328069950.db2.gz UGFQVFQCRPEHDC-LLVKDONJSA-N 1 0 254.355 1.116 40 0 CDABRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nn1 ZINC000235228065 525819112 /nfs/dbraw/zinc/81/91/12/525819112.db2.gz BROGULXAPOOAFX-YPMHNXCESA-N 1 0 252.362 1.331 40 0 CDABRO O=C(C1CCC1)N1CC2(C1)CC[C@@H](C[NH+]1CCCC1)CO2 ZINC000575405171 342451845 /nfs/dbraw/zinc/45/18/45/342451845.db2.gz WRBADNOTGRXAEK-AWEZNQCLSA-N 1 0 292.423 1.890 40 0 CDABRO c1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)nc1 ZINC000096048401 185073406 /nfs/dbraw/zinc/07/34/06/185073406.db2.gz DGERXOLUBVBWDX-GOEBONIOSA-N 1 0 288.395 1.922 40 0 CDABRO CN(C)C(=O)[C@H]1CCC2(CC[NH+](Cc3ccco3)CC2)O1 ZINC000096061119 185082239 /nfs/dbraw/zinc/08/22/39/185082239.db2.gz YVBLBGWJJRGRRM-CQSZACIVSA-N 1 0 292.379 1.881 40 0 CDABRO Cn1nnc2c1[C@H](COCC1CC1)C[N@H+](CC1CC1)C2 ZINC000096060721 185083098 /nfs/dbraw/zinc/08/30/98/185083098.db2.gz BJCIWIXYGGYKOH-ZDUSSCGKSA-N 1 0 276.384 1.551 40 0 CDABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(CC2CCOCC2)C1 ZINC000096059189 282128832 /nfs/dbraw/zinc/12/88/32/282128832.db2.gz OVWLKNHCPWJCNN-HNNXBMFYSA-N 1 0 292.427 1.303 40 0 CDABRO C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000019582064 282133748 /nfs/dbraw/zinc/13/37/48/282133748.db2.gz MOVDLILFCCQQMD-APIJFGDWSA-N 1 0 262.397 1.999 40 0 CDABRO CC[NH+](CC)C[C@H]1CN(C(=O)CC2CC2)Cc2ccnn21 ZINC000585095173 342211362 /nfs/dbraw/zinc/21/13/62/342211362.db2.gz IACZPSDMHQHTIH-HNNXBMFYSA-N 1 0 290.411 1.908 40 0 CDABRO COCc1nnc2n1CCN(CC1=CCCOC1)[C@H]2C ZINC000585097234 342211793 /nfs/dbraw/zinc/21/17/93/342211793.db2.gz IUTPIRPPMLXKIY-NSHDSACASA-N 1 0 278.356 1.148 40 0 CDABRO CCC[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccco1 ZINC000247972653 362142098 /nfs/dbraw/zinc/14/20/98/362142098.db2.gz DPKWKMFMBGRXIX-GZBFAFLISA-N 1 0 292.379 1.899 40 0 CDABRO CN1CCO[C@@](C)(C(=O)NCc2cccc(F)c2F)C1 ZINC000257330387 362587147 /nfs/dbraw/zinc/58/71/47/362587147.db2.gz XODSAVHGGYENDM-CQSZACIVSA-N 1 0 284.306 1.302 40 0 CDABRO Cc1ccccc1C[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108535290 186222372 /nfs/dbraw/zinc/22/23/72/186222372.db2.gz BDKDBHZJXOSDSI-HOTGVXAUSA-N 1 0 260.381 1.900 40 0 CDABRO O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000062116206 363001938 /nfs/dbraw/zinc/00/19/38/363001938.db2.gz GEWZIQDCJNBGOI-GFCCVEGCSA-N 1 0 257.337 1.436 40 0 CDABRO COC(=O)CC[N@@H+]1CCN(Cc2cccn2C)[C@@H](C)C1 ZINC000154775424 351335784 /nfs/dbraw/zinc/33/57/84/351335784.db2.gz PIBYXKDUUXRAIY-ZDUSSCGKSA-N 1 0 279.384 1.094 40 0 CDABRO C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000156571590 188269782 /nfs/dbraw/zinc/26/97/82/188269782.db2.gz HDCYVZHEHHPOQK-KBMXLJTQSA-N 1 0 298.390 1.993 40 0 CDABRO CC(C)c1nnc2ccc(NC(=O)N3CC[C@@H]([NH3+])C3)cn21 ZINC000333934513 363237641 /nfs/dbraw/zinc/23/76/41/363237641.db2.gz IOFIBYMHFFWFKC-SNVBAGLBSA-N 1 0 288.355 1.418 40 0 CDABRO COc1cc(OC)c(C(=O)CC[NH+](C)C)cc1OC ZINC000001591172 355941001 /nfs/dbraw/zinc/94/10/01/355941001.db2.gz ARXJZUOYENHWSN-UHFFFAOYSA-N 1 0 267.325 1.847 40 0 CDABRO CC(C)CC(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019446560 356485889 /nfs/dbraw/zinc/48/58/89/356485889.db2.gz BVBMJGHXVQXAEE-CQSZACIVSA-N 1 0 288.395 1.832 40 0 CDABRO CCN(C[C@H]1CCC[N@@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407977 356991120 /nfs/dbraw/zinc/99/11/20/356991120.db2.gz ZTQBDYBNQBZWRD-GFCCVEGCSA-N 1 0 272.389 1.700 40 0 CDABRO COc1cccc(-c2nc(C)cc(N3CC[NH2+]CC3)n2)c1 ZINC000058047129 357375600 /nfs/dbraw/zinc/37/56/00/357375600.db2.gz NYTQYOHZKWKMDD-UHFFFAOYSA-N 1 0 284.363 1.870 40 0 CDABRO O=C(Nc1cccc(Cn2ccnc2)c1)[C@H]1CC[NH2+]C1 ZINC000062113154 357469467 /nfs/dbraw/zinc/46/94/67/357469467.db2.gz ODUBMROUWSSWOY-ZDUSSCGKSA-N 1 0 270.336 1.479 40 0 CDABRO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccs1 ZINC000096184377 358714167 /nfs/dbraw/zinc/71/41/67/358714167.db2.gz FPNZJRXFSWPQSE-KGLIPLIRSA-N 1 0 293.436 1.485 40 0 CDABRO COC[C@H]1C(=O)NCC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096206134 358720128 /nfs/dbraw/zinc/72/01/28/358720128.db2.gz DEOUDWMKPLKXDY-AWEZNQCLSA-N 1 0 292.379 1.563 40 0 CDABRO c1cc(C[N@@H+]2C[C@H]3CCN(c4cnccn4)C[C@H]3C2)n[nH]1 ZINC000096246223 358725344 /nfs/dbraw/zinc/72/53/44/358725344.db2.gz TXPOCHCOLVNAAX-CHWSQXEVSA-N 1 0 284.367 1.158 40 0 CDABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)C(=O)N1 ZINC000096261569 358729723 /nfs/dbraw/zinc/72/97/23/358729723.db2.gz NSVLRYKMRSIMNA-TYNCELHUSA-N 1 0 263.385 1.661 40 0 CDABRO COc1cccc(O[C@@H](C)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000113954556 359439787 /nfs/dbraw/zinc/43/97/87/359439787.db2.gz AEVTYUUYZXYOBK-LBPRGKRZSA-N 1 0 292.379 1.673 40 0 CDABRO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000027356616 359485318 /nfs/dbraw/zinc/48/53/18/359485318.db2.gz YKSYXOUHZNRPLC-RWMBFGLXSA-N 1 0 293.411 1.875 40 0 CDABRO O=C1CNc2ncnc(NCc3ccc4c(c3)OCO4)c2N1 ZINC000041121683 359684022 /nfs/dbraw/zinc/68/40/22/359684022.db2.gz RQXGXUIBEDRICL-UHFFFAOYSA-N 1 0 299.290 1.181 40 0 CDABRO C[C@@]1(O)CC[NH2+][C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289807 360121343 /nfs/dbraw/zinc/12/13/43/360121343.db2.gz HOAMAKKRVFSODV-OFQRWUPVSA-N 1 0 274.364 1.367 40 0 biogenic,in-vitro CDABRO CCS(=O)(=O)[C@@H]1[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218468233 372829429 /nfs/dbraw/zinc/82/94/29/372829429.db2.gz KVMCSSHMWXSLEN-DCAQKATOSA-N 1 0 259.758 1.568 40 0 CDABRO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+]CCN(C)C ZINC000019498267 374743445 /nfs/dbraw/zinc/74/34/45/374743445.db2.gz ZTWZQALVMCFPGM-GFCCVEGCSA-N 1 0 261.369 1.115 40 0 CDABRO [NH3+][C@H]1CCc2c(ccc(=O)n2Cc2cccnc2)C1 ZINC000306136036 374969524 /nfs/dbraw/zinc/96/95/24/374969524.db2.gz PHCSRLNKBFIGHQ-ZDUSSCGKSA-N 1 0 255.321 1.108 40 0 CDABRO c1ccc(OCc2nn(CC3CC3)c3c2C[NH2+]CC3)nc1 ZINC000306140136 374969857 /nfs/dbraw/zinc/96/98/57/374969857.db2.gz ULJRZJYIOQFRBR-UHFFFAOYSA-N 1 0 284.363 1.913 40 0 CDABRO c1ncn2c1C[NH2+]C[C@@H](COCc1ccccn1)C2 ZINC000306140527 374972470 /nfs/dbraw/zinc/97/24/70/374972470.db2.gz UWIKDJDHMBKVOV-GFCCVEGCSA-N 1 0 258.325 1.214 40 0 CDABRO COc1ccnc(CN2C[C@@H](C)[NH+](C)[C@H](C)C2)c1OC ZINC000225598612 375206554 /nfs/dbraw/zinc/20/65/54/375206554.db2.gz SVFVMBQTUSDEGE-VXGBXAGGSA-N 1 0 279.384 1.623 40 0 CDABRO CC(C)Cn1cc(C[NH2+]CCCN2CCOCC2)cn1 ZINC000256050140 190002915 /nfs/dbraw/zinc/00/29/15/190002915.db2.gz CXBFMOYMKFXLAB-UHFFFAOYSA-N 1 0 280.416 1.351 40 0 CDABRO CCn1nccc1C[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256050217 190003120 /nfs/dbraw/zinc/00/31/20/190003120.db2.gz DFDVQIVEYMHWFV-UHFFFAOYSA-N 1 0 283.326 1.963 40 0 CDABRO Cc1c(C[NH2+]Cc2cnn(CC(C)C)c2)cnn1C ZINC000256050208 190003219 /nfs/dbraw/zinc/00/32/19/190003219.db2.gz DEJWDVGVPXOLHR-UHFFFAOYSA-N 1 0 261.373 1.871 40 0 CDABRO Cc1cccc(C2(O)CC[NH+]([C@H]3COC[C@H]3O)CC2)c1 ZINC000257206593 190011657 /nfs/dbraw/zinc/01/16/57/190011657.db2.gz BECXQANKSLAAJU-LSDHHAIUSA-N 1 0 277.364 1.038 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cccn2C)cc1 ZINC000257217075 190013827 /nfs/dbraw/zinc/01/38/27/190013827.db2.gz CXHBVUDRJRLDOH-MRXNPFEDSA-N 1 0 299.374 1.820 40 0 CDABRO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)n1 ZINC000257223100 190014346 /nfs/dbraw/zinc/01/43/46/190014346.db2.gz DVWBAMDSSKXOQO-LBPRGKRZSA-N 1 0 259.357 1.831 40 0 CDABRO O=C(CC1CCCCC1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257240951 190018708 /nfs/dbraw/zinc/01/87/08/190018708.db2.gz HVVZGSHVOMWSKG-HUUCEWRRSA-N 1 0 280.412 1.624 40 0 CDABRO Cc1cccnc1C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257255665 190020445 /nfs/dbraw/zinc/02/04/45/190020445.db2.gz KIJSUFGULXWVTM-GJZGRUSLSA-N 1 0 262.353 1.506 40 0 CDABRO OCC[N@@H+]1CCOC[C@H](Cc2cccc(F)c2)C1 ZINC000257264482 190023267 /nfs/dbraw/zinc/02/32/67/190023267.db2.gz LUOCDGBZAUMKJC-CYBMUJFWSA-N 1 0 253.317 1.309 40 0 CDABRO COc1ccc(C(=O)N2C[C@@H]3CCCC[NH2+][C@@H]3C2)cc1 ZINC000257291301 190027645 /nfs/dbraw/zinc/02/76/45/190027645.db2.gz QGLAHOCUILTTOU-DZGCQCFKSA-N 1 0 274.364 1.909 40 0 CDABRO CNC(=O)c1cccc([C@H]2C[N@H+](CC3CC3)CCN2C)c1 ZINC000257314546 190032467 /nfs/dbraw/zinc/03/24/67/190032467.db2.gz UXLAUYFIIHVWLB-MRXNPFEDSA-N 1 0 287.407 1.745 40 0 CDABRO CC1(C)COC(=O)N1c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000257314298 190032582 /nfs/dbraw/zinc/03/25/82/190032582.db2.gz UWHTWKKFJKXSME-SECBINFHSA-N 1 0 262.313 1.636 40 0 CDABRO Cn1nccc1C[N@H+]1C[C@@H]2[C@H](Nc3cccnn3)CC[C@@H]2C1 ZINC000257319383 190033427 /nfs/dbraw/zinc/03/34/27/190033427.db2.gz VSEOEGCDMITETO-VHDGCEQUSA-N 1 0 298.394 1.533 40 0 CDABRO O=C1c2ccccc2C2=C1N(O)[C@H]1CCCC[C@H]1[N+]2=O ZINC000100639748 285024113 /nfs/dbraw/zinc/02/41/13/285024113.db2.gz CSPAZJUKGODKGZ-NEPJUHHUSA-N 1 0 270.288 1.458 40 0 CDABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)N(C)C)C2 ZINC000096217915 256825639 /nfs/dbraw/zinc/82/56/39/256825639.db2.gz AOCWUNHKCWGGLA-GOEBONIOSA-N 1 0 295.427 1.348 40 0 CDABRO CNC(=O)CO[C@H]1COC2(C1)CC[NH+](CC1CCC1)CC2 ZINC000096220459 256827594 /nfs/dbraw/zinc/82/75/94/256827594.db2.gz OZWWMTLRHGOAEF-CQSZACIVSA-N 1 0 296.411 1.173 40 0 CDABRO CN(C)C(=O)Cn1c(C2CC[NH2+]CC2)cc2cccnc21 ZINC000019581277 390228058 /nfs/dbraw/zinc/22/80/58/390228058.db2.gz ADAQBXCKBWGKOA-UHFFFAOYSA-N 1 0 286.379 1.592 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079409612 390421056 /nfs/dbraw/zinc/42/10/56/390421056.db2.gz BNBNISXUSQPGGJ-RYUDHWBXSA-N 1 0 299.415 1.439 40 0 CDABRO Fc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC000096064007 390912262 /nfs/dbraw/zinc/91/22/62/390912262.db2.gz MJQUWVYTUTYDIQ-LSDHHAIUSA-N 1 0 299.353 1.864 40 0 CDABRO C[C@H](NCCC[NH+](C)C)C(=O)N1CCCCCCC1 ZINC000026439595 391105736 /nfs/dbraw/zinc/10/57/36/391105736.db2.gz ZCOULDBNTPTGPS-AWEZNQCLSA-N 1 0 269.433 1.709 40 0 CDABRO CN1CC[NH+]([C@H]2CCCc3ccccc3[C@H]2O)CC1 ZINC000019366345 391320346 /nfs/dbraw/zinc/32/03/46/391320346.db2.gz PKTNMCFYIQOHGV-JKSUJKDBSA-N 1 0 260.381 1.672 40 0 CDABRO CSc1ncc(C[NH2+]CCCn2ccnc2)cn1 ZINC000062717245 392803911 /nfs/dbraw/zinc/80/39/11/392803911.db2.gz RBFVSIUHMMDXMD-UHFFFAOYSA-N 1 0 263.370 1.575 40 0 CDABRO c1cnc2c(c1)nc1n2[C@@H](C[NH2+]C2CCOCC2)COC1 ZINC000096112793 285551456 /nfs/dbraw/zinc/55/14/56/285551456.db2.gz UDXWROOOKMRSGT-LBPRGKRZSA-N 1 0 288.351 1.271 40 0 biogenic,in-vitro CDABRO [NH3+]Cc1ccnc(N2C(=O)c3ccccc3C2=O)c1 ZINC000199744569 397719601 /nfs/dbraw/zinc/71/96/01/397719601.db2.gz FDXCDQCQPBRNOP-UHFFFAOYSA-N 1 0 253.261 1.341 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C)c1 ZINC000004497868 169973224 /nfs/dbraw/zinc/97/32/24/169973224.db2.gz MLRCYIBLWFRYGA-CQSZACIVSA-N 1 0 289.379 1.534 40 0 CDABRO CC1(C)O[C@]2(C)CC[C@H]1[C@@H](O)[C@H]2[NH+]1CCOCC1 ZINC000005459435 170101199 /nfs/dbraw/zinc/10/11/99/170101199.db2.gz KVVRWJSJKXCRTD-FMCLSXCISA-N 1 0 255.358 1.026 40 0 CDABRO COc1cc(OC)cc(C(=O)NCCC[NH+](C)C)c1 ZINC000005508979 170105897 /nfs/dbraw/zinc/10/58/97/170105897.db2.gz YHIGCUZYEUHYEH-UHFFFAOYSA-N 1 0 266.341 1.385 40 0 CDABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCC[NH+](C)C ZINC000022519231 171389653 /nfs/dbraw/zinc/38/96/53/171389653.db2.gz AHBLTVNPPCYVPE-AWEZNQCLSA-N 1 0 280.368 1.530 40 0 CDABRO Cc1nnsc1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000038573050 174147451 /nfs/dbraw/zinc/14/74/51/174147451.db2.gz QNMJXZUWSVYKPD-UHFFFAOYSA-N 1 0 282.413 1.697 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1 ZINC000039975616 174180406 /nfs/dbraw/zinc/18/04/06/174180406.db2.gz JJRIQODIVOXHFY-CYBMUJFWSA-N 1 0 262.353 1.666 40 0 CDABRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000071144711 176041440 /nfs/dbraw/zinc/04/14/40/176041440.db2.gz ZAZYHAUJWKKGPL-JTQLQIEISA-N 1 0 288.800 1.570 40 0 CDABRO Cc1cc(C(=O)NCC2CC2)nc(C2CC[NH+](C)CC2)n1 ZINC000072369322 176384234 /nfs/dbraw/zinc/38/42/34/176384234.db2.gz YZVNARHRLAHHMP-UHFFFAOYSA-N 1 0 288.395 1.734 40 0 CDABRO CN(C)C(=O)CCc1cccc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072382831 176388192 /nfs/dbraw/zinc/38/81/92/176388192.db2.gz NJLHKSSETAOLMO-ZDUSSCGKSA-N 1 0 275.396 1.912 40 0 CDABRO c1nc(CC[C@@H]2CCC[NH2+]2)cc(N2CCCOCC2)n1 ZINC000072386872 176392330 /nfs/dbraw/zinc/39/23/30/176392330.db2.gz ZJIZOFRBUFAWNZ-ZDUSSCGKSA-N 1 0 276.384 1.388 40 0 CDABRO CC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH3+])O2)no1 ZINC000077262473 177246463 /nfs/dbraw/zinc/24/64/63/177246463.db2.gz CSRYQSPMABIXTJ-SDDRHHMPSA-N 1 0 268.357 1.382 40 0 biogenic,in-vitro CDABRO O=C1CC2(CC[NH2+]CC2)C(=O)N1c1cccc(F)c1 ZINC000096157191 260563628 /nfs/dbraw/zinc/56/36/28/260563628.db2.gz KQHNBWLQGPCSEA-UHFFFAOYSA-N 1 0 262.284 1.459 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCC[N@H+](CCO)C1 ZINC000079408202 277178896 /nfs/dbraw/zinc/17/88/96/277178896.db2.gz ZIAOAZWYGPMUNF-CYBMUJFWSA-N 1 0 284.400 1.843 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCN(CC[NH3+])C1 ZINC000079408490 279299541 /nfs/dbraw/zinc/29/95/41/279299541.db2.gz XQKQAQVNQQKWJT-GFCCVEGCSA-N 1 0 271.405 1.665 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCCCC1 ZINC000339577702 279331470 /nfs/dbraw/zinc/33/14/70/279331470.db2.gz IDPHKBPTFHOWIN-ZDUSSCGKSA-N 1 0 281.400 1.036 40 0 CDABRO Nc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3c3ccccc32)cn1 ZINC000096268378 295351448 /nfs/dbraw/zinc/35/14/48/295351448.db2.gz QPKITQATJSFXPK-OCCSQVGLSA-N 1 0 294.358 1.627 40 0 CDABRO O=C1[C@@H]2CC[NH2+]C[C@@H]2OCCN1c1ccsc1 ZINC000306123482 328424182 /nfs/dbraw/zinc/42/41/82/328424182.db2.gz AOPGDWIUAVROJQ-MNOVXSKESA-N 1 0 252.339 1.089 40 0 CDABRO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000072794032 567903174 /nfs/dbraw/zinc/90/31/74/567903174.db2.gz FZSRRBQGIVWLOS-ZDUSSCGKSA-N 1 0 262.353 1.653 40 0 CDABRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000074713390 567903824 /nfs/dbraw/zinc/90/38/24/567903824.db2.gz SBOOFVOZXZEYRM-UHFFFAOYSA-N 1 0 275.352 1.925 40 0 CDABRO C[NH+]1CCC(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000074921028 567903845 /nfs/dbraw/zinc/90/38/45/567903845.db2.gz FWMQLVQAXVUKJZ-UHFFFAOYSA-N 1 0 275.352 1.456 40 0 CDABRO COc1cccc(C[NH+]2CCC3(CC(=O)N(C)O3)CC2)n1 ZINC001549161762 968052229 /nfs/dbraw/zinc/05/22/29/968052229.db2.gz KTWPUBGOWOZGHA-UHFFFAOYSA-N 1 0 291.351 1.219 40 0 CDABRO COc1ccccc1C[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC000096044282 185072005 /nfs/dbraw/zinc/07/20/05/185072005.db2.gz SLYZUHAITNOXIZ-HNNXBMFYSA-N 1 0 287.363 1.832 40 0 CDABRO c1cnc(N2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)nc1 ZINC000096053746 185074932 /nfs/dbraw/zinc/07/49/32/185074932.db2.gz PJCHVWHHISTKCQ-GASCZTMLSA-N 1 0 281.363 1.440 40 0 CDABRO CC(C)C(=O)N1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC000096080872 185091178 /nfs/dbraw/zinc/09/11/78/185091178.db2.gz ODNSROBKFBDQJA-HUUCEWRRSA-N 1 0 273.380 1.628 40 0 CDABRO Cc1ncc(C[N@@H+]2CCC[C@@]3(CCNC3=O)CC2)cn1 ZINC000108530840 282150913 /nfs/dbraw/zinc/15/09/13/282150913.db2.gz BWOBBONMUYIXIO-OAHLLOKOSA-N 1 0 274.368 1.277 40 0 CDABRO CC(C)C[N@@H+]1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099265 342212170 /nfs/dbraw/zinc/21/21/70/342212170.db2.gz AAOWIDOTTRSULI-HNNXBMFYSA-N 1 0 274.368 1.561 40 0 CDABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CCC(N)=O)C2)cc1 ZINC000585269198 342255169 /nfs/dbraw/zinc/25/51/69/342255169.db2.gz LJIOWSLJXGNRCX-MRXNPFEDSA-N 1 0 292.379 1.076 40 0 CDABRO CN(C)C(=O)CC[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000585276379 342256219 /nfs/dbraw/zinc/25/62/19/342256219.db2.gz NYFCYNPSOZBGQU-QGZVFWFLSA-N 1 0 290.407 1.882 40 0 CDABRO O[C@@H]1CN(Cc2cc[nH]n2)CC[C@@H]1Cc1ccccc1F ZINC000585278554 342257002 /nfs/dbraw/zinc/25/70/02/342257002.db2.gz OUOFXVCHGVLKGE-CZUORRHYSA-N 1 0 289.354 1.974 40 0 CDABRO OCCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585290559 342258911 /nfs/dbraw/zinc/25/89/11/342258911.db2.gz YDJOSIGQPZJDRO-RRFJBIMHSA-N 1 0 283.343 1.459 40 0 CDABRO CO[C@H]1CCOC2(CN(Cc3cccc(C)n3)C2)C1 ZINC000247860950 362136371 /nfs/dbraw/zinc/13/63/71/362136371.db2.gz GGILXRQPQSPMPP-AWEZNQCLSA-N 1 0 262.353 1.770 40 0 CDABRO COc1ccccc1[C@@H](O)C1(C[NH3+])CCOCC1 ZINC000085395786 179049325 /nfs/dbraw/zinc/04/93/25/179049325.db2.gz JXJXFFRCJPJDNX-CYBMUJFWSA-N 1 0 251.326 1.484 40 0 CDABRO O=C(c1cccnc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000149513094 348743024 /nfs/dbraw/zinc/74/30/24/348743024.db2.gz LTUAZQQZTFWJQG-UHFFFAOYSA-N 1 0 259.353 1.687 40 0 CDABRO [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000333541578 363020376 /nfs/dbraw/zinc/02/03/76/363020376.db2.gz HZQYQSPOLIVKAG-XQQFMLRXSA-N 1 0 251.374 1.555 40 0 CDABRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000133188998 187671120 /nfs/dbraw/zinc/67/11/20/187671120.db2.gz BJWGZSWLMSQYER-LLVKDONJSA-N 1 0 254.355 1.059 40 0 CDABRO O=C(NCC[NH2+]Cc1ccccn1)c1cccs1 ZINC000004451574 363242901 /nfs/dbraw/zinc/24/29/01/363242901.db2.gz HDXOHLGMGLVDRM-UHFFFAOYSA-N 1 0 261.350 1.663 40 0 CDABRO COC(=O)[C@H]1[C@H]2CCC[N@@H+]2C[C@@]12c1ccccc1NC2=O ZINC000036584759 356245076 /nfs/dbraw/zinc/24/50/76/356245076.db2.gz SACUHBGXWYEFEY-XJKCOSOUSA-N 1 0 286.331 1.144 40 0 CDABRO CSc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000013648251 356351762 /nfs/dbraw/zinc/35/17/62/356351762.db2.gz JUVGJDWBAMAESQ-UHFFFAOYSA-N 1 0 274.411 1.248 40 0 CDABRO CCCC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019501355 356488234 /nfs/dbraw/zinc/48/82/34/356488234.db2.gz NOJYMEPZXLEPJV-ZDUSSCGKSA-N 1 0 274.368 1.586 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079407935 356990947 /nfs/dbraw/zinc/99/09/47/356990947.db2.gz IFMLFCNPENGUCS-NWDGAFQWSA-N 1 0 272.389 1.746 40 0 CDABRO C[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)C[NH3+] ZINC000079415209 356994078 /nfs/dbraw/zinc/99/40/78/356994078.db2.gz DCCQCYZGIHGECG-OAHLLOKOSA-N 1 0 275.396 1.458 40 0 CDABRO Cc1ccc(S(=O)(=O)N2CCC(C(N)=[NH2+])CC2)cc1 ZINC000079843422 357002354 /nfs/dbraw/zinc/00/23/54/357002354.db2.gz AJJHIDXSTMDXEQ-UHFFFAOYSA-N 1 0 281.381 1.332 40 0 CDABRO O=C(N1CC2(C1)C[C@H](CO)C[N@@H+]2CC1CC1)C1(F)CCC1 ZINC000585093809 358099113 /nfs/dbraw/zinc/09/91/13/358099113.db2.gz GXXJPEFWDDNBRO-ZDUSSCGKSA-N 1 0 296.386 1.184 40 0 CDABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000082306849 358158498 /nfs/dbraw/zinc/15/84/98/358158498.db2.gz OYMGZDNJCSQZKY-GFCCVEGCSA-N 1 0 250.317 1.784 40 0 CDABRO O=C1N(Cc2ccc(F)cc2)CC[C@@]12CCC[NH2+]C2 ZINC000023509054 358754303 /nfs/dbraw/zinc/75/43/03/358754303.db2.gz NYYLEHDUBYHOJP-OAHLLOKOSA-N 1 0 262.328 1.928 40 0 CDABRO C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161630 358711460 /nfs/dbraw/zinc/71/14/60/358711460.db2.gz XBCJMRRVTVSQLB-HGTKMLMNSA-N 1 0 285.391 1.628 40 0 CDABRO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3CC(C)C)no1 ZINC000096184289 358714068 /nfs/dbraw/zinc/71/40/68/358714068.db2.gz UZTHHOCUVZNPJZ-UONOGXRCSA-N 1 0 277.368 1.928 40 0 CDABRO CN(C)[C@@H]1CC[N@H+](C[C@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200855 358717995 /nfs/dbraw/zinc/71/79/95/358717995.db2.gz FBMUHANHWAJSKQ-ZACQAIPSSA-N 1 0 289.423 1.665 40 0 CDABRO C[NH+](C)[C@@H]1CCN(c2ncccn2)[C@H]1Cc1ccncc1 ZINC000096200984 358718641 /nfs/dbraw/zinc/71/86/41/358718641.db2.gz CDANPRSHLKMPBW-CABCVRRESA-N 1 0 283.379 1.623 40 0 CDABRO COCC(=O)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096202762 358718974 /nfs/dbraw/zinc/71/89/74/358718974.db2.gz LEMLMPVQTDFCDW-UHFFFAOYSA-N 1 0 280.393 1.429 40 0 CDABRO CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](CC1CCC1)CC2 ZINC000096220463 358723120 /nfs/dbraw/zinc/72/31/20/358723120.db2.gz OZWWMTLRHGOAEF-AWEZNQCLSA-N 1 0 296.411 1.173 40 0 CDABRO O=C(c1ccoc1)N1C[C@@H]2[C@H](C1)OCCN2CC1CC1 ZINC000096246459 358725408 /nfs/dbraw/zinc/72/54/08/358725408.db2.gz KRFDTTVLWYECKJ-KGLIPLIRSA-N 1 0 276.336 1.215 40 0 CDABRO Cn1cc(N2C[C@@H]3C[N@H+](Cc4ccco4)C[C@@H]3C2=O)cn1 ZINC000096245240 358725705 /nfs/dbraw/zinc/72/57/05/358725705.db2.gz UODQXUYRBIKKEW-FZMZJTMJSA-N 1 0 286.335 1.108 40 0 CDABRO CC(C)Nc1nc2c(cc1C(=O)N(C)C)CC[N@H+](C)CC2 ZINC000096260444 358729468 /nfs/dbraw/zinc/72/94/68/358729468.db2.gz WJHQSEXEQWUVCG-UHFFFAOYSA-N 1 0 290.411 1.634 40 0 CDABRO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[NH2+]C4)no1 ZINC000100226851 358823416 /nfs/dbraw/zinc/82/34/16/358823416.db2.gz ZPDVMHLEPBHLMX-UHFFFAOYSA-N 1 0 271.280 1.044 40 0 CDABRO CCOC(=O)[C@@H]1C(C)=C(CN2CCCCC2)[NH2+][C@H]1C ZINC000101456175 358846429 /nfs/dbraw/zinc/84/64/29/358846429.db2.gz SXJBYKLPPOTSGS-GXTWGEPZSA-N 1 0 266.385 1.917 40 0 CDABRO C[NH+](C)CCCNS(=O)(=O)Cc1ccccc1Cl ZINC000013596017 366484314 /nfs/dbraw/zinc/48/43/14/366484314.db2.gz XIUIAGMHUGXQFN-UHFFFAOYSA-N 1 0 290.816 1.711 40 0 CDABRO c1ccc2c(c1)nncc2NCCN1CCOCC1 ZINC000041123932 359685995 /nfs/dbraw/zinc/68/59/95/359685995.db2.gz AWSMNLDDNXLANI-UHFFFAOYSA-N 1 0 258.325 1.374 40 0 CDABRO CSc1ccc(OCC[N@H+](C)[C@H]2CCN(C)C2=O)cc1 ZINC000075752574 360359819 /nfs/dbraw/zinc/35/98/19/360359819.db2.gz YLDXFHCQJLUTIN-AWEZNQCLSA-N 1 0 294.420 1.950 40 0 CDABRO Cc1cccc(C)c1OCCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000237649487 361477093 /nfs/dbraw/zinc/47/70/93/361477093.db2.gz AKBINKZPXCWREK-AWEZNQCLSA-N 1 0 276.380 1.798 40 0 CDABRO COc1ccccc1-c1c(N)n(C)nc1C[NH+](C)C ZINC000026511937 370728669 /nfs/dbraw/zinc/72/86/69/370728669.db2.gz BWFVNATUQUUPFT-UHFFFAOYSA-N 1 0 260.341 1.740 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242592356 364572491 /nfs/dbraw/zinc/57/24/91/364572491.db2.gz OQXDVNIZXIIZRP-SRVKXCTJSA-N 1 0 299.415 1.628 40 0 CDABRO c1nc2c(n1CC1CC1)[C@H](COCC1CC1)C[NH2+]C2 ZINC000306124064 367314329 /nfs/dbraw/zinc/31/43/29/367314329.db2.gz BEQZLSDRVOAGSJ-ZDUSSCGKSA-N 1 0 261.369 1.907 40 0 CDABRO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000225472233 189753217 /nfs/dbraw/zinc/75/32/17/189753217.db2.gz OJVNVVPSHDWSBP-KBPBESRZSA-N 1 0 297.443 1.663 40 0 CDABRO CC1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCC(F)(F)CC1 ZINC000638437109 370064661 /nfs/dbraw/zinc/06/46/61/370064661.db2.gz IEKYGUVJYPOFKS-UHFFFAOYSA-N 1 0 288.338 1.403 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218510638 372938505 /nfs/dbraw/zinc/93/85/05/372938505.db2.gz GZGSBWKRRLBILB-GARJFASQSA-N 1 0 259.758 1.425 40 0 CDABRO CCOc1cc(N(C)C2CC[NH2+]CC2)nc(SC)n1 ZINC000079439718 374405664 /nfs/dbraw/zinc/40/56/64/374405664.db2.gz HQFUXULPKWRYQE-UHFFFAOYSA-N 1 0 282.413 1.785 40 0 CDABRO Cc1nc(CN2CCO[C@H]3CC[NH2+]CC[C@@H]32)cs1 ZINC000306130636 374967335 /nfs/dbraw/zinc/96/73/35/374967335.db2.gz JLRUEONTSMDGPS-STQMWFEESA-N 1 0 267.398 1.404 40 0 CDABRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCNC(=O)C1(C)C ZINC000334329706 374915160 /nfs/dbraw/zinc/91/51/60/374915160.db2.gz OIDIHDSNCDSPAD-ZDUSSCGKSA-N 1 0 267.417 1.460 40 0 CDABRO O[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1Oc1ccccc1 ZINC000257234195 190017078 /nfs/dbraw/zinc/01/70/78/190017078.db2.gz GSNKWFUMZYNFKP-HZPDHXFCSA-N 1 0 270.332 1.706 40 0 CDABRO CCOC(=O)CCc1cc(C)nc(C2CC[NH2+]CC2)n1 ZINC000257241493 190018327 /nfs/dbraw/zinc/01/83/27/190018327.db2.gz HYFTWFOQMRPZHS-UHFFFAOYSA-N 1 0 277.368 1.748 40 0 CDABRO [NH3+][C@@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218041127 375780237 /nfs/dbraw/zinc/78/02/37/375780237.db2.gz QSGXPGZAIDUJBB-ZNMIVQPWSA-N 1 0 273.357 1.954 40 0 CDABRO COC[C@@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217989931 375772070 /nfs/dbraw/zinc/77/20/70/375772070.db2.gz VIWMYMDRNJLKBZ-OLZOCXBDSA-N 1 0 269.366 1.133 40 0 CDABRO CCn1cc(C[N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257263752 190022243 /nfs/dbraw/zinc/02/22/43/190022243.db2.gz LRHGHAMJOYBGAB-ZDUSSCGKSA-N 1 0 259.357 1.924 40 0 CDABRO C[C@]1(C(=O)N(Cc2ccccc2)CC2CC2)C[NH2+]CCO1 ZINC000257317416 190032695 /nfs/dbraw/zinc/03/26/95/190032695.db2.gz VJQWOBGZKFTWHS-QGZVFWFLSA-N 1 0 288.391 1.804 40 0 CDABRO O=C(N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cccs1 ZINC000257316214 190032801 /nfs/dbraw/zinc/03/28/01/190032801.db2.gz VEPOLIOISDFWHU-NQBHXWOUSA-N 1 0 280.393 1.466 40 0 CDABRO [NH3+]Cc1cn(-c2ccccc2C(=O)NCC2CC2)cn1 ZINC000257334673 190036624 /nfs/dbraw/zinc/03/66/24/190036624.db2.gz YGXYCRYCNXXLAC-UHFFFAOYSA-N 1 0 270.336 1.471 40 0 CDABRO [NH3+]CCOc1ccc2nc3n(c(=O)c2c1)CCCC3 ZINC000218787731 375984420 /nfs/dbraw/zinc/98/44/20/375984420.db2.gz IGNCWYYSBZWSJJ-UHFFFAOYSA-N 1 0 259.309 1.070 40 0 CDABRO O=C1CO[C@H]2C[N@@H+](C3CCC3)C[C@H]2N1c1ccccc1 ZINC000067897047 296341114 /nfs/dbraw/zinc/34/11/14/296341114.db2.gz IKAQBHCIIIPTBB-CABCVRRESA-N 1 0 272.348 1.655 40 0 biogenic,in-vitro CDABRO CCN1CCC[C@H]1C[NH2+]Cc1cnc(SC)nc1 ZINC000062718340 256720956 /nfs/dbraw/zinc/72/09/56/256720956.db2.gz KXLCRBFJPLWUBR-LBPRGKRZSA-N 1 0 266.414 1.772 40 0 CDABRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@H]21 ZINC000096249492 256834065 /nfs/dbraw/zinc/83/40/65/256834065.db2.gz JEBNGVPJHDYRET-CABCVRRESA-N 1 0 277.368 1.226 40 0 CDABRO CC(C)c1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000096516264 390534263 /nfs/dbraw/zinc/53/42/63/390534263.db2.gz JHZJYXGHJGFZNG-VIFPVBQESA-N 1 0 262.317 1.376 40 0 CDABRO C[C@@H]([NH3+])[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000072208867 390617399 /nfs/dbraw/zinc/61/73/99/390617399.db2.gz PBAKKBONSOERFT-HTQZYQBOSA-N 1 0 250.289 1.978 40 0 CDABRO CC(C)[N@@H+]1CCOC[C@@]2(CN(CC3CC3)CCO2)C1 ZINC000096049758 390912493 /nfs/dbraw/zinc/91/24/93/390912493.db2.gz DEYWVAAANHORRH-OAHLLOKOSA-N 1 0 268.401 1.208 40 0 CDABRO CCC[C@@H](C(=O)Nc1n[nH]cc1Br)[NH+](C)C ZINC000293981765 391661579 /nfs/dbraw/zinc/66/15/79/391661579.db2.gz RHZCLWCTJSFWDM-QMMMGPOBSA-N 1 0 289.177 1.841 40 0 CDABRO CC[NH+](CC)CCCNCc1cnc(NC)nc1 ZINC000062718405 392804376 /nfs/dbraw/zinc/80/43/76/392804376.db2.gz SNRRITJDNASZNJ-UHFFFAOYSA-N 1 0 251.378 1.340 40 0 CDABRO Cc1noc(-c2ccnc(N3CCC[C@H]([NH3+])C3)c2)n1 ZINC000070458116 134948519 /nfs/dbraw/zinc/94/85/19/134948519.db2.gz ILBIUFRSKAEVAO-NSHDSACASA-N 1 0 259.313 1.368 40 0 CDABRO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CCCO1 ZINC000013998891 170615259 /nfs/dbraw/zinc/61/52/59/170615259.db2.gz ADVRDAPKXBOLAQ-CYBMUJFWSA-N 1 0 258.321 1.797 40 0 CDABRO Nc1nonc1C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000019014626 170751338 /nfs/dbraw/zinc/75/13/38/170751338.db2.gz YBUUHCTVVSGZFV-UHFFFAOYSA-N 1 0 293.371 1.036 40 0 CDABRO CCOc1cc(C=O)ccc1OCCN1CC[NH+](C)CC1 ZINC000020131580 171019992 /nfs/dbraw/zinc/01/99/92/171019992.db2.gz KGNMPCXSDNMUBU-UHFFFAOYSA-N 1 0 292.379 1.524 40 0 CDABRO c1ccc(CN2CC[NH2+]C[C@H](Cc3cnccn3)C2)cc1 ZINC000072355044 176374733 /nfs/dbraw/zinc/37/47/33/176374733.db2.gz JKIZRIBDSJXEPT-INIZCTEOSA-N 1 0 282.391 1.741 40 0 CDABRO CC(=O)Nc1cnn(CC2CC[NH+](C(C)C)CC2)c1 ZINC000072363730 176378179 /nfs/dbraw/zinc/37/81/79/176378179.db2.gz LYESUMQPWSDWBO-UHFFFAOYSA-N 1 0 264.373 1.962 40 0 CDABRO CC1(CNc2cc(CC[C@@H]3CCCC[NH2+]3)ncn2)COC1 ZINC000072365511 176380399 /nfs/dbraw/zinc/38/03/99/176380399.db2.gz PGOGOAULYYXHHX-ZDUSSCGKSA-N 1 0 290.411 2.000 40 0 CDABRO Cc1ccn(CCNC(=O)c2cccc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000072365687 176381191 /nfs/dbraw/zinc/38/11/91/176381191.db2.gz WRFMVZLXBAHDPI-ZDUSSCGKSA-N 1 0 299.378 1.441 40 0 CDABRO COc1ncc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)cn1 ZINC000072386215 176391727 /nfs/dbraw/zinc/39/17/27/176391727.db2.gz HMWQHTLEAORXJW-ZDUSSCGKSA-N 1 0 287.367 1.896 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(F)c(F)c1 ZINC000072397605 176395083 /nfs/dbraw/zinc/39/50/83/176395083.db2.gz CRZXLNYGXHEUCK-WCFLWFBJSA-N 1 0 282.334 1.604 40 0 CDABRO COCc1nc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cs1 ZINC000078455044 177343300 /nfs/dbraw/zinc/34/33/00/177343300.db2.gz GOODQLSJDODZBI-NSHDSACASA-N 1 0 297.424 1.846 40 0 CDABRO C[N@H+](CCNC(=O)N1CCSCC1)C1CCCC1 ZINC000078519063 177349495 /nfs/dbraw/zinc/34/94/95/177349495.db2.gz YNDSPZSPYBVVRX-UHFFFAOYSA-N 1 0 271.430 1.619 40 0 CDABRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)cc(OC)c1OC ZINC000062708166 260236736 /nfs/dbraw/zinc/23/67/36/260236736.db2.gz ZCSWEVCEGLVTTL-JTQLQIEISA-N 1 0 294.351 1.146 40 0 CDABRO COc1ccc(-n2ncc3c2nc[nH+]c3NN)cc1Cl ZINC000085398067 274105260 /nfs/dbraw/zinc/10/52/60/274105260.db2.gz LBTOPCQTUXHTSS-UHFFFAOYSA-N 1 0 290.714 1.763 40 0 CDABRO CNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1cnn(C)c1)C2 ZINC000108535041 277008566 /nfs/dbraw/zinc/00/85/66/277008566.db2.gz WWXJGNFSFMFEPB-ZFWWWQNUSA-N 1 0 276.384 1.158 40 0 CDABRO C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306137021 277200170 /nfs/dbraw/zinc/20/01/70/277200170.db2.gz QJDIPSTZVXQNOK-VXGBXAGGSA-N 1 0 297.362 1.264 40 0 CDABRO C[N@H+]1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306137018 277206790 /nfs/dbraw/zinc/20/67/90/277206790.db2.gz QJDIPSTZVXQNOK-NEPJUHHUSA-N 1 0 297.362 1.264 40 0 CDABRO C[C@@H]([NH2+]CCCN1CCOCC1)C(=O)NC1CCCCC1 ZINC000096942711 278345749 /nfs/dbraw/zinc/34/57/49/278345749.db2.gz VVEGDZORPPLSSB-CQSZACIVSA-N 1 0 297.443 1.136 40 0 CDABRO C[C@@H]1Cc2ccccc2N1C(=O)CNCCC[NH+](C)C ZINC000004969377 279018708 /nfs/dbraw/zinc/01/87/08/279018708.db2.gz CNJSCQHPARLYQJ-CYBMUJFWSA-N 1 0 275.396 1.506 40 0 CDABRO Cc1ccc(N2CC[C@H](C[NH3+])S2(=O)=O)cc1C ZINC000260769233 328066112 /nfs/dbraw/zinc/06/61/12/328066112.db2.gz KPJBVYJNFSOEQJ-GFCCVEGCSA-N 1 0 254.355 1.171 40 0 CDABRO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC000382701625 943941483 /nfs/dbraw/zinc/94/14/83/943941483.db2.gz OTGDNZWKSLJDNY-QKDCVEJESA-N 1 0 275.348 1.839 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1CCC(C)(C)CC1 ZINC001548448165 967495696 /nfs/dbraw/zinc/49/56/96/967495696.db2.gz PSOYFMXWNFSRPQ-NWDGAFQWSA-N 1 0 254.374 1.306 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2nc(C)ccc2c1 ZINC001548448114 969416061 /nfs/dbraw/zinc/41/60/61/969416061.db2.gz LQANVXXQCUTHFK-LSDHHAIUSA-N 1 0 285.347 1.260 40 0 CDABRO O=C1NCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096046689 185071951 /nfs/dbraw/zinc/07/19/51/185071951.db2.gz GQCKNNYSQQXJJK-UHFFFAOYSA-N 1 0 250.367 1.850 40 0 CDABRO O=C(c1cscn1)N1CCC2(C[NH+](CC3CC3)C2)C1 ZINC000096046449 185072037 /nfs/dbraw/zinc/07/20/37/185072037.db2.gz JHHOQXAZLJGHJJ-UHFFFAOYSA-N 1 0 277.393 1.701 40 0 CDABRO C[N@@H+]1CCC[C@@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049062 185073132 /nfs/dbraw/zinc/07/31/32/185073132.db2.gz QYYDLRCTHQLXTR-AWEZNQCLSA-N 1 0 250.342 1.576 40 0 CDABRO CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccnc2)C1 ZINC000096057599 185077394 /nfs/dbraw/zinc/07/73/94/185077394.db2.gz HWGLGQLZEMMJIC-RRFJBIMHSA-N 1 0 289.379 1.149 40 0 CDABRO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096057322 185077568 /nfs/dbraw/zinc/07/75/68/185077568.db2.gz FLWVQBGTGWDTLC-MCIONIFRSA-N 1 0 294.420 1.958 40 0 CDABRO O=C1COC2(CC[NH+](Cc3ccsc3)CC2)CN1 ZINC000096062123 185082967 /nfs/dbraw/zinc/08/29/67/185082967.db2.gz YZVVHFUHFJQWRM-UHFFFAOYSA-N 1 0 266.366 1.229 40 0 CDABRO CO[C@@H]1CC[N@H+](CC(=O)N(C)C)[C@H]1Cc1ccccc1 ZINC000096069813 185086047 /nfs/dbraw/zinc/08/60/47/185086047.db2.gz WTYHVSUIVJPQDI-LSDHHAIUSA-N 1 0 276.380 1.407 40 0 CDABRO Cn1cc(C[N@@H+]2CCc3ncnc(NC4CC4)c3CC2)cn1 ZINC000096084023 185092906 /nfs/dbraw/zinc/09/29/06/185092906.db2.gz JJXPQTLSJDFSNB-UHFFFAOYSA-N 1 0 298.394 1.385 40 0 CDABRO O=C(N[C@@H]1C[NH2+]C[C@H]1CF)OCc1ccccc1 ZINC000083317118 178380639 /nfs/dbraw/zinc/38/06/39/178380639.db2.gz UNQLVWCIVGSREZ-VXGBXAGGSA-N 1 0 252.289 1.470 40 0 CDABRO O=c1[nH]nc([C@H]2CCC[NH2+]C2)n1-c1ccc(F)cc1 ZINC000096517323 342165795 /nfs/dbraw/zinc/16/57/95/342165795.db2.gz OVPSLAOEALBZHZ-VIFPVBQESA-N 1 0 262.288 1.167 40 0 CDABRO CC(=O)N1CC2(C1)C[C@H](COc1ccccn1)CC[N@H+]2C ZINC000585103262 342212739 /nfs/dbraw/zinc/21/27/39/342212739.db2.gz SNUDTQFRZGGFRM-CQSZACIVSA-N 1 0 289.379 1.403 40 0 CDABRO CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2OC(C)(C)C[C@@H]2C1 ZINC000585285947 342258646 /nfs/dbraw/zinc/25/86/46/342258646.db2.gz URWDKFRSHLALIU-AGIUHOORSA-N 1 0 268.401 1.920 40 0 CDABRO OCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585285805 342258707 /nfs/dbraw/zinc/25/87/07/342258707.db2.gz SGIMTUOOTNOIPK-BFHYXJOUSA-N 1 0 269.316 1.068 40 0 CDABRO CO[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@]12CCCO2 ZINC000257274861 362581828 /nfs/dbraw/zinc/58/18/28/362581828.db2.gz NMXMFPJPQVXVPV-HOCLYGCPSA-N 1 0 296.411 1.125 40 0 CDABRO Cc1nccc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000257296176 362584416 /nfs/dbraw/zinc/58/44/16/362584416.db2.gz RBOHHAFJEMDGEJ-GXTWGEPZSA-N 1 0 274.368 1.389 40 0 CDABRO CCOC(=O)C1=CN(CC[NH+](C)C)/C(=C\N=O)C=C1 ZINC000038176989 348739348 /nfs/dbraw/zinc/73/93/48/348739348.db2.gz WJZFGYKKLOGFQI-XFXZXTDPSA-N 1 0 265.313 1.475 40 0 CDABRO c1cncc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000096110687 348741728 /nfs/dbraw/zinc/74/17/28/348741728.db2.gz ZMTYQXUKEAIMMR-IAGOWNOFSA-N 1 0 287.407 1.767 40 0 CDABRO NC(=O)c1sc2ncccc2c1[C@@H]1CCC[NH2+]C1 ZINC000205688798 348744182 /nfs/dbraw/zinc/74/41/82/348744182.db2.gz QYFCXGTWTYMTLJ-MRVPVSSYSA-N 1 0 261.350 1.862 40 0 CDABRO Cn1cc2c(n1)[C@H](C[NH2+]Cc1ccncc1)OCC2 ZINC000096059688 282698774 /nfs/dbraw/zinc/69/87/74/282698774.db2.gz AKUSKNPARPRJOD-ZDUSSCGKSA-N 1 0 258.325 1.219 40 0 CDABRO CO[C@H]1CO[C@@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1 ZINC000107225662 186163279 /nfs/dbraw/zinc/16/32/79/186163279.db2.gz FRKPEGTYIDCTHY-CABCVRRESA-N 1 0 262.353 1.770 40 0 CDABRO COc1ccc2cc(CNCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004132834 363192989 /nfs/dbraw/zinc/19/29/89/363192989.db2.gz NAOUOTXZYGONNX-UHFFFAOYSA-N 1 0 289.379 1.578 40 0 CDABRO COc1ccccc1N1CC[NH+](CCCO)CC1 ZINC000001664864 355944957 /nfs/dbraw/zinc/94/49/57/355944957.db2.gz NSLZHZKOVGVVEH-UHFFFAOYSA-N 1 0 250.342 1.200 40 0 CDABRO CC[C@@H]1NC(=[NH2+])NC(=N)N1c1ccc(Cl)cc1 ZINC000001722911 355949560 /nfs/dbraw/zinc/94/95/60/355949560.db2.gz WUZZGEOZQYQDRK-SECBINFHSA-N 1 0 251.721 1.526 40 0 CDABRO CCCn1cc2c(n1)nc(N1CC[NH2+]CC1)cc2C ZINC000012398908 356297695 /nfs/dbraw/zinc/29/76/95/356297695.db2.gz SWANHQHDRHSHHG-UHFFFAOYSA-N 1 0 259.357 1.559 40 0 CDABRO COCC[N@@H+]1CC[C@@H](OC(C)=O)[C@@H]2CCCC[C@@H]21 ZINC000015319285 356413168 /nfs/dbraw/zinc/41/31/68/356413168.db2.gz COHAZZNQVVNWKS-HZSPNIEDSA-N 1 0 255.358 1.829 40 0 CDABRO NC(=O)CC[N@@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000019376625 356483934 /nfs/dbraw/zinc/48/39/34/356483934.db2.gz YNNYGEDCBGYQTQ-NSHDSACASA-N 1 0 289.335 1.107 40 0 CDABRO Cc1noc(CCC(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000019719183 356497064 /nfs/dbraw/zinc/49/70/64/356497064.db2.gz SDABGIYSZYQUDU-UHFFFAOYSA-N 1 0 292.383 1.397 40 0 CDABRO CC[C@H](OC[C@H](O)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000022030800 356598102 /nfs/dbraw/zinc/59/81/02/356598102.db2.gz CPMNUFSZWYXFOX-SJORKVTESA-N 1 0 292.423 1.763 40 0 CDABRO [NH3+][C@@H](CC(=O)NCc1ccccn1)c1ccccc1 ZINC000019517633 366330420 /nfs/dbraw/zinc/33/04/20/366330420.db2.gz ZCFYNXFCLMTZHI-AWEZNQCLSA-N 1 0 255.321 1.788 40 0 CDABRO C[C@H]([NH3+])C(=O)NCc1cccc(Br)c1 ZINC000042419105 356875027 /nfs/dbraw/zinc/87/50/27/356875027.db2.gz VIUVXBCMYWHMOO-ZETCQYMHSA-N 1 0 257.131 1.413 40 0 CDABRO C[N@H+](CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391649 356988159 /nfs/dbraw/zinc/98/81/59/356988159.db2.gz DTTWTJTZTGLXCU-OAHLLOKOSA-N 1 0 292.379 1.712 40 0 CDABRO CSc1nccnc1CN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079435736 356996337 /nfs/dbraw/zinc/99/63/37/356996337.db2.gz MGFXTWWCTIKIDP-JTQLQIEISA-N 1 0 268.386 1.140 40 0 CDABRO NC(=[NH2+])CS(=O)(=O)c1ccc(Br)cc1 ZINC000228960147 283262404 /nfs/dbraw/zinc/26/24/04/283262404.db2.gz ICARFWZLQDMFAF-UHFFFAOYSA-N 1 0 277.143 1.159 40 0 CDABRO COC[C@@H]1Cn2ccnc2CN(C(=O)NC2CCCC2)C1 ZINC000096187786 358715548 /nfs/dbraw/zinc/71/55/48/358715548.db2.gz RXUKXAAOSOUEKS-GFCCVEGCSA-N 1 0 292.383 1.614 40 0 CDABRO COC[C@H]1Cn2ccnc2CN(C(=O)NC2CCCC2)C1 ZINC000096187787 358715559 /nfs/dbraw/zinc/71/55/59/358715559.db2.gz RXUKXAAOSOUEKS-LBPRGKRZSA-N 1 0 292.383 1.614 40 0 CDABRO COCCN1CC[N@H+](C[C@@H]2CCOC2)Cc2cccnc21 ZINC000096198868 358717392 /nfs/dbraw/zinc/71/73/92/358717392.db2.gz ACFLJYBPHMKKNZ-AWEZNQCLSA-N 1 0 291.395 1.387 40 0 CDABRO C[C@H](O)C[NH+]1CCC2(C[C@H](c3cccnc3)CO2)CC1 ZINC000096220301 358722475 /nfs/dbraw/zinc/72/24/75/358722475.db2.gz FCZYMEQHPFLEHZ-ZFWWWQNUSA-N 1 0 276.380 1.801 40 0 CDABRO O=C(NCC1CC1)[C@@H]1C[C@H]2OCC[N@H+](CC3CC3)[C@@H]2C1 ZINC000096251676 358726718 /nfs/dbraw/zinc/72/67/18/358726718.db2.gz SFZDIZAQLUYLGL-RRFJBIMHSA-N 1 0 278.396 1.402 40 0 CDABRO CN(C)C(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000026439317 359425977 /nfs/dbraw/zinc/42/59/77/359425977.db2.gz JOOYPZXAWHCFEK-UHFFFAOYSA-N 1 0 253.390 1.025 40 0 CDABRO CN[C@@H](C(N)=O)c1cc(Br)ccc1F ZINC000037869886 359462598 /nfs/dbraw/zinc/46/25/98/359462598.db2.gz AGTOHMOOXRGRLT-MRVPVSSYSA-N 1 0 261.094 1.334 40 0 CDABRO COCC[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000064492514 360179373 /nfs/dbraw/zinc/17/93/73/360179373.db2.gz QSGUHMNQMBJLML-UHFFFAOYSA-N 1 0 280.368 1.737 40 0 CDABRO C[C@H]1CC[NH2+]C[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000217680278 189711537 /nfs/dbraw/zinc/71/15/37/189711537.db2.gz UOSNPYUZLQLHQU-SWLSCSKDSA-N 1 0 258.365 1.817 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000339470980 371920751 /nfs/dbraw/zinc/92/07/51/371920751.db2.gz KQWCSSHIRQMCBG-MCIONIFRSA-N 1 0 295.427 1.282 40 0 CDABRO Cc1cnc([C@@H](C)N2CCC[C@@H](n3ccnn3)C2)o1 ZINC000333418539 205303636 /nfs/dbraw/zinc/30/36/36/205303636.db2.gz RGQKYYMNOYIGTR-VXGBXAGGSA-N 1 0 261.329 1.973 40 0 CDABRO CSCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(F)cc1 ZINC000130822342 373752414 /nfs/dbraw/zinc/75/24/14/373752414.db2.gz BVNZFBNYQUCYCO-GFCCVEGCSA-N 1 0 270.373 1.865 40 0 CDABRO CO[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[C@@H]1C ZINC000230242256 374030027 /nfs/dbraw/zinc/03/00/27/374030027.db2.gz PCBLDZHLBYGNHO-APHBMKBZSA-N 1 0 288.391 1.584 40 0 CDABRO COc1cc2[nH+]cc3c(c2cc1OC)NCCNC3=O ZINC000064873624 374240755 /nfs/dbraw/zinc/24/07/55/374240755.db2.gz DTHSMKXZRFBAHB-UHFFFAOYSA-N 1 0 273.292 1.407 40 0 CDABRO COC[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000079091119 374768821 /nfs/dbraw/zinc/76/88/21/374768821.db2.gz DFOPSTJBNIXSRJ-JSGCOSHPSA-N 1 0 262.353 1.571 40 0 CDABRO c1cc(N2CCOCC2)cn2nc([C@H]3CCC[NH2+]C3)nc12 ZINC000306132186 374969350 /nfs/dbraw/zinc/96/93/50/374969350.db2.gz LBCJYYUEXKRLPY-LBPRGKRZSA-N 1 0 287.367 1.033 40 0 CDABRO c1cc(CC[C@@H]2C[N@@H+](C3CCOCC3)CCO2)ncn1 ZINC000257205497 190011496 /nfs/dbraw/zinc/01/14/96/190011496.db2.gz AZIWDGJCPKWNPP-OAHLLOKOSA-N 1 0 277.368 1.289 40 0 CDABRO O[C@H]1CCCC[C@H]1[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000257210843 190012371 /nfs/dbraw/zinc/01/23/71/190012371.db2.gz BWJSMFJFSYEBDH-CABCVRRESA-N 1 0 276.380 1.669 40 0 CDABRO Cc1ncc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000257228726 190016422 /nfs/dbraw/zinc/01/64/22/190016422.db2.gz FUZPPITUPSXXSR-MRXNPFEDSA-N 1 0 268.364 1.932 40 0 CDABRO CCC(=O)N1CCC[C@@H](c2nnc([C@H]3CCC[NH2+]C3)o2)C1 ZINC000257228440 190016460 /nfs/dbraw/zinc/01/64/60/190016460.db2.gz FTVYUPYYVVVKCK-NWDGAFQWSA-N 1 0 292.383 1.653 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cccn2C)cc1 ZINC000257217074 190014287 /nfs/dbraw/zinc/01/42/87/190014287.db2.gz CXHBVUDRJRLDOH-INIZCTEOSA-N 1 0 299.374 1.820 40 0 CDABRO Cn1nccc1CC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000257238385 190017753 /nfs/dbraw/zinc/01/77/53/190017753.db2.gz HKTICZSSMRDPLW-UHFFFAOYSA-N 1 0 293.411 1.216 40 0 CDABRO C[N@@H+]1CCC[C@@H]1c1ccnc(C(=O)NCc2ccnnc2)c1 ZINC000257248903 190020109 /nfs/dbraw/zinc/02/01/09/190020109.db2.gz JFTKQGNVYYAWOX-OAHLLOKOSA-N 1 0 297.362 1.568 40 0 CDABRO Cc1cc(C(=O)N(C)C)nc(C2(C)CC[NH2+]CC2)n1 ZINC000257249574 190020376 /nfs/dbraw/zinc/02/03/76/190020376.db2.gz JIYYXBUXAVCORH-UHFFFAOYSA-N 1 0 262.357 1.128 40 0 CDABRO c1cc2nccc(C3CC[NH+](Cc4cnccn4)CC3)n2n1 ZINC000257272536 190024031 /nfs/dbraw/zinc/02/40/31/190024031.db2.gz NCTIKIYOQMLPCO-UHFFFAOYSA-N 1 0 294.362 1.899 40 0 CDABRO FC(F)(F)CC[N@@H+]1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257299301 190029357 /nfs/dbraw/zinc/02/93/57/190029357.db2.gz RPMLCZHINJPPGJ-NSHDSACASA-N 1 0 289.301 1.920 40 0 CDABRO COCCC(=O)N1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000063528483 378303772 /nfs/dbraw/zinc/30/37/72/378303772.db2.gz PJLZKLLSJBUEFE-KBPBESRZSA-N 1 0 289.379 1.008 40 0 CDABRO COCC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081666626 177837582 /nfs/dbraw/zinc/83/75/82/177837582.db2.gz FYPWGTFECIRWFB-UHFFFAOYSA-N 1 0 284.400 1.032 40 0 CDABRO CN(C)CC(C[NH+](C)C)C(=O)c1ccc(O)cc1 ZINC000001580571 390139041 /nfs/dbraw/zinc/13/90/41/390139041.db2.gz VOSMPDUOMWFRTG-UHFFFAOYSA-N 1 0 250.342 1.314 40 0 CDABRO COc1ccc(OC)c([C@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000036101343 390480168 /nfs/dbraw/zinc/48/01/68/390480168.db2.gz QTTXXVGVYBTEEU-JMSVASOKSA-N 1 0 294.395 1.813 40 0 CDABRO COc1ccc(Cl)c2c(=O)c3c([nH]c12)CC[NH2+]C3 ZINC000072221264 390626298 /nfs/dbraw/zinc/62/62/98/390626298.db2.gz GIKUTDVRPHCMSU-UHFFFAOYSA-N 1 0 264.712 1.836 40 0 CDABRO CNC(=O)c1sc2ccccc2c1[C@@H]1C[NH2+]CCO1 ZINC000072344089 390627318 /nfs/dbraw/zinc/62/73/18/390627318.db2.gz RWSGZPZIKROELC-JTQLQIEISA-N 1 0 276.361 1.922 40 0 CDABRO COc1cc(C)c(S(=O)(=O)NCC[NH+](C)C)c(C)c1 ZINC000074921849 390662060 /nfs/dbraw/zinc/66/20/60/390662060.db2.gz KMQAXCDSJVCQNU-UHFFFAOYSA-N 1 0 286.397 1.152 40 0 CDABRO CN(Cc1ccccc1)C(=O)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC000096157281 390913311 /nfs/dbraw/zinc/91/33/11/390913311.db2.gz CKMBTPUYPXQIAM-HNNXBMFYSA-N 1 0 273.336 1.153 40 0 CDABRO COC[C@H]1CCC2(CCN(c3ncccn3)CC2)[N@@H+]1C ZINC000096207144 390913473 /nfs/dbraw/zinc/91/34/73/390913473.db2.gz IYGDPIFQQDNDQH-CYBMUJFWSA-N 1 0 276.384 1.556 40 0 CDABRO C[C@@H]1CN(C[C@@H]2COc3ccccc3O2)[C@@H](C)C[NH2+]1 ZINC000022580946 391047945 /nfs/dbraw/zinc/04/79/45/391047945.db2.gz PGKAQCYZBLUAAE-FRRDWIJNSA-N 1 0 262.353 1.509 40 0 CDABRO CO[C@H]1CCCOC12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000257220589 391648517 /nfs/dbraw/zinc/64/85/17/391648517.db2.gz DLHQARSFRSCILV-HNNXBMFYSA-N 1 0 293.411 1.889 40 0 CDABRO C[NH+](C)C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434638 392019288 /nfs/dbraw/zinc/01/92/88/392019288.db2.gz KZQQUKBUYQSNCH-IHXHZNKUSA-N 1 0 253.386 1.894 40 0 CDABRO CC(C)(C)n1nccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000082280914 393085158 /nfs/dbraw/zinc/08/51/58/393085158.db2.gz HSQBXIGDCAIUQK-SNVBAGLBSA-N 1 0 250.346 1.576 40 0 CDABRO CN1C[C@H]([NH3+])[C@@H](c2cccc(Br)c2)C1 ZINC000225606996 393195802 /nfs/dbraw/zinc/19/58/02/393195802.db2.gz JJDHYTTYWQJHLO-MNOVXSKESA-N 1 0 255.159 1.805 40 0 CDABRO NC(=O)[C@H](O[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000217520471 413112841 /nfs/dbraw/zinc/11/28/41/413112841.db2.gz MLAQZLDTZUHNKE-NWDGAFQWSA-N 1 0 252.289 1.121 40 0 CDABRO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1Cl ZINC000005251455 170080049 /nfs/dbraw/zinc/08/00/49/170080049.db2.gz PFTJVOZNFHHUJK-UHFFFAOYSA-N 1 0 297.786 1.655 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2[nH]c1=O ZINC000040039603 174184160 /nfs/dbraw/zinc/18/41/60/174184160.db2.gz ROOQIVWHRMULLO-ZDUSSCGKSA-N 1 0 299.374 1.742 40 0 CDABRO Cn1cc([C@@H](O)C[NH3+])c2cc(Br)ccc21 ZINC000071492733 176190900 /nfs/dbraw/zinc/19/09/00/176190900.db2.gz PEMNZWONOMLSEY-NSHDSACASA-N 1 0 269.142 1.933 40 0 CDABRO CN(C)C(=O)[C@@]1(CCCc2cccnc2)CCC[NH2+]1 ZINC000072344202 176372581 /nfs/dbraw/zinc/37/25/81/176372581.db2.gz CDLYKXXZCKUJBA-OAHLLOKOSA-N 1 0 261.369 1.615 40 0 CDABRO c1cn(-c2cncc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cn1 ZINC000072355618 176375207 /nfs/dbraw/zinc/37/52/07/176375207.db2.gz NSEAICKWZIWNCP-HNNXBMFYSA-N 1 0 299.378 1.978 40 0 CDABRO OCC[N@@H+]1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072383045 176388425 /nfs/dbraw/zinc/38/84/25/176388425.db2.gz KCRZOXYDBWSMNN-CYBMUJFWSA-N 1 0 299.378 1.787 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccccc1Cl ZINC000072397583 176394727 /nfs/dbraw/zinc/39/47/27/176394727.db2.gz GVAKMIRFGJFDNU-FPMFFAJLSA-N 1 0 280.799 1.979 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc(F)cc(F)c1 ZINC000072397680 176395201 /nfs/dbraw/zinc/39/52/01/176395201.db2.gz WQIPPZZZQOEEBA-VCTAVGKDSA-N 1 0 282.334 1.604 40 0 CDABRO C[C@@](CO)([NH2+]CCCS(C)(=O)=O)C1CCCCC1 ZINC000077657050 177291288 /nfs/dbraw/zinc/29/12/88/177291288.db2.gz ZRWWNKBXIHKORV-ZDUSSCGKSA-N 1 0 277.430 1.342 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000083318379 260189215 /nfs/dbraw/zinc/18/92/15/260189215.db2.gz IUAIUTQQJMTBTQ-HBNTYKKESA-N 1 0 285.388 1.286 40 0 CDABRO C[N@@H+]1CCC[C@@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087386 423938871 /nfs/dbraw/zinc/93/88/71/423938871.db2.gz LNEZLZQNIHGLNV-SFHVURJKSA-N 1 0 299.418 1.983 40 0 CDABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1COCC[NH3+] ZINC000079390629 277182810 /nfs/dbraw/zinc/18/28/10/277182810.db2.gz LIDIVMGUWKBEKQ-LLVKDONJSA-N 1 0 258.362 1.751 40 0 CDABRO c1nc2ncccn2c1-c1nccnc1C1CC[NH2+]CC1 ZINC000257279528 275076639 /nfs/dbraw/zinc/07/66/39/275076639.db2.gz OHAIPXYRRSAXEQ-UHFFFAOYSA-N 1 0 280.335 1.653 40 0 CDABRO NNc1[nH+]cc(Br)cc1Br ZINC000157315317 527286789 /nfs/dbraw/zinc/28/67/89/527286789.db2.gz SNLGJYTUIRNJDF-UHFFFAOYSA-N 1 0 266.924 1.892 40 0 CDABRO CC[NH+]1CCN(c2ncnc3c2C[C@H](C)CN3)CC1 ZINC000046087433 1166301532 /nfs/dbraw/zinc/30/15/32/1166301532.db2.gz IRRRVSQMVUBVFA-NSHDSACASA-N 1 0 261.373 1.223 40 0 CDABRO O=C1[C@H]2C[N@H+](CC3CC3)C[C@H]2CN1c1ccccc1 ZINC000096053634 185074243 /nfs/dbraw/zinc/07/42/43/185074243.db2.gz NSADLTMRCYRNED-ZFWWWQNUSA-N 1 0 256.349 1.991 40 0 CDABRO CN(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053912 185076570 /nfs/dbraw/zinc/07/65/70/185076570.db2.gz DDLZWKLCCKHDCY-OKILXGFUSA-N 1 0 291.370 1.871 40 0 CDABRO c1cc(CN2CCO[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)ccn1 ZINC000096081739 185091434 /nfs/dbraw/zinc/09/14/34/185091434.db2.gz MVFHERLDRVHJAR-SJORKVTESA-N 1 0 287.407 1.767 40 0 CDABRO Cc1cc(CN2C[C@@H]3C[N@H+](CC(C)C)CCO[C@@H]3C2)no1 ZINC000096107974 185100257 /nfs/dbraw/zinc/10/02/57/185100257.db2.gz DOMCQZKQBYXKJF-GOEBONIOSA-N 1 0 293.411 1.772 40 0 CDABRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096108622 185100352 /nfs/dbraw/zinc/10/03/52/185100352.db2.gz ANLUBALTMJTMRM-GDBMZVCRSA-N 1 0 277.364 1.790 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@H](O)C2(CC[NH2+]CC2)C1 ZINC000096945301 185134809 /nfs/dbraw/zinc/13/48/09/185134809.db2.gz JOQVDIUWFOPTOC-NSHDSACASA-N 1 0 270.373 1.358 40 0 CDABRO CCC(CC)C(=O)N1CC[C@@]2(CC[N@@H+]2CCOC)C1 ZINC000096075964 282149605 /nfs/dbraw/zinc/14/96/05/282149605.db2.gz SYDFNILOEUIRQG-OAHLLOKOSA-N 1 0 268.401 1.746 40 0 CDABRO CC(C)CC(=O)N1CC2(C1)CC[C@H](C[NH+](C)C)CO2 ZINC000585093670 342211093 /nfs/dbraw/zinc/21/10/93/342211093.db2.gz AFXKVINPEHGINJ-CYBMUJFWSA-N 1 0 268.401 1.602 40 0 CDABRO CC(C)N1C[C@]2(CCCN(Cc3nccn3C)C2)C1=O ZINC000585099649 342212273 /nfs/dbraw/zinc/21/22/73/342212273.db2.gz UQSPZNJILNSHDR-OAHLLOKOSA-N 1 0 276.384 1.253 40 0 CDABRO CCCC[N@@H+]1CCC[C@@]2(CC(C(=O)NCCC)=NO2)C1 ZINC000585101152 342212389 /nfs/dbraw/zinc/21/23/89/342212389.db2.gz JZPWJYDCECURRH-OAHLLOKOSA-N 1 0 281.400 1.924 40 0 CDABRO C[N@@H+]1CCCCC12CCN(C(=O)c1cc[nH]n1)CC2 ZINC000585102471 342212611 /nfs/dbraw/zinc/21/26/11/342212611.db2.gz VQRKONHFFROHBT-UHFFFAOYSA-N 1 0 262.357 1.500 40 0 CDABRO CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1)C2 ZINC000585103427 342212700 /nfs/dbraw/zinc/21/27/00/342212700.db2.gz CFNXTBANYRJVDD-INIZCTEOSA-N 1 0 292.354 1.506 40 0 CDABRO COCC[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)noc3C)[C@@H]2C1 ZINC000585107668 342212985 /nfs/dbraw/zinc/21/29/85/342212985.db2.gz NOGZLSWUBBWLDB-QWHCGFSZSA-N 1 0 293.367 1.084 40 0 CDABRO CNc1cc([C@H]2CCCN2C(=O)C2([NH3+])CCCC2)ccn1 ZINC000585181498 342232740 /nfs/dbraw/zinc/23/27/40/342232740.db2.gz QRQSJLOATIAWRX-CYBMUJFWSA-N 1 0 288.395 1.480 40 0 CDABRO CCCn1ncc(N)c1C(=O)NCCC[NH+](CC)CC ZINC000685936196 539098969 /nfs/dbraw/zinc/09/89/69/539098969.db2.gz JSZUVSOUCDSNGM-UHFFFAOYSA-N 1 0 281.404 1.337 40 0 CDABRO CNC(=O)C[C@@H]1C[N@@H+](C2CCCCC2)CC[C@H]1OC ZINC000585275201 342256123 /nfs/dbraw/zinc/25/61/23/342256123.db2.gz ZYZUNIZJFXRUHX-TZMCWYRMSA-N 1 0 268.401 1.792 40 0 CDABRO CNC(=O)C[C@]1(COC)CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000585276488 342256423 /nfs/dbraw/zinc/25/64/23/342256423.db2.gz PAYALVUKHIRSKH-INIZCTEOSA-N 1 0 291.395 1.507 40 0 CDABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)CO)cc12 ZINC000585292536 342259042 /nfs/dbraw/zinc/25/90/42/342259042.db2.gz KGQDEOQBBUSOSE-GFCCVEGCSA-N 1 0 276.336 1.000 40 0 CDABRO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccco1)N1CCNC1=O ZINC000076804179 362106255 /nfs/dbraw/zinc/10/62/55/362106255.db2.gz KFVICTNTLDFOBW-GFCCVEGCSA-N 1 0 291.351 1.749 40 0 CDABRO C[C@@]1(c2ccccc2)CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000079097508 362141558 /nfs/dbraw/zinc/14/15/58/362141558.db2.gz PNRBYJWFJMKGFS-OAHLLOKOSA-N 1 0 296.436 1.589 40 0 CDABRO C[NH2+]C[C@@]1(O)CCCN(c2ccnc3cccnc32)C1 ZINC000257265718 362582930 /nfs/dbraw/zinc/58/29/30/362582930.db2.gz MAADVEVNHHGXOV-HNNXBMFYSA-N 1 0 272.352 1.181 40 0 CDABRO COC[C@H]1CCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000635962042 362824518 /nfs/dbraw/zinc/82/45/18/362824518.db2.gz LFUJWSXDFUMIFO-GFCCVEGCSA-N 1 0 252.358 1.110 40 0 CDABRO COCC[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000107785547 186190684 /nfs/dbraw/zinc/19/06/84/186190684.db2.gz QFUGTLDKZSMHCV-CABCVRRESA-N 1 0 278.352 1.340 40 0 CDABRO CCOc1cncc(C[NH2+][C@H]2CCc3nnc(C)n3C2)c1 ZINC000621331514 350548670 /nfs/dbraw/zinc/54/86/70/350548670.db2.gz DFXULHPAACHPQS-ZDUSSCGKSA-N 1 0 287.367 1.485 40 0 CDABRO CC(C)(C[NH2+][C@@H]1COC(C)(C)C1)C1(O)CCOCC1 ZINC000333523152 363009286 /nfs/dbraw/zinc/00/92/86/363009286.db2.gz GWSLBZONWLUWQW-LBPRGKRZSA-N 1 0 271.401 1.711 40 0 CDABRO CCOC(=O)[C@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217987625 363009994 /nfs/dbraw/zinc/00/99/94/363009994.db2.gz HMHXGAGTKLGKGK-JSGCOSHPSA-N 1 0 297.376 1.049 40 0 CDABRO COC[C@@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217989782 363024834 /nfs/dbraw/zinc/02/48/34/363024834.db2.gz VIWMYMDRNJLKBZ-STQMWFEESA-N 1 0 269.366 1.133 40 0 CDABRO O=C(c1ccccc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320943 358470534 /nfs/dbraw/zinc/47/05/34/358470534.db2.gz UCQTWYBNCMWYJT-AOOOYVTPSA-N 1 0 250.729 1.631 40 0 CDABRO Cc1cc(N2CC[NH2+]CC2)nc2nn(C(C)C)cc21 ZINC000012398907 356297879 /nfs/dbraw/zinc/29/78/79/356297879.db2.gz RCEDPEWWIRAJKI-UHFFFAOYSA-N 1 0 259.357 1.730 40 0 CDABRO CCCC(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019501626 356487372 /nfs/dbraw/zinc/48/73/72/356487372.db2.gz IMFAXAULTDGKPI-ZDUSSCGKSA-N 1 0 274.368 1.586 40 0 CDABRO CCn1c(CN2CC[NH+](C)CC2)nc2ccccc2c1=O ZINC000019524201 356489535 /nfs/dbraw/zinc/48/95/35/356489535.db2.gz ZIPILTYRCYZJIM-UHFFFAOYSA-N 1 0 286.379 1.164 40 0 CDABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCC[NH+](C)C ZINC000030756427 356752936 /nfs/dbraw/zinc/75/29/36/356752936.db2.gz VEKINKGPRTWZJN-ZDUSSCGKSA-N 1 0 268.332 1.661 40 0 CDABRO COc1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H](O)C2)cc1 ZINC000036739939 356879453 /nfs/dbraw/zinc/87/94/53/356879453.db2.gz BYDBDGYTQMLDIE-IAGOWNOFSA-N 1 0 290.407 1.726 40 0 CDABRO C[C@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000075837442 356944369 /nfs/dbraw/zinc/94/43/69/356944369.db2.gz VMDZXINKFCTKOC-JONQDZQNSA-N 1 0 282.428 1.333 40 0 CDABRO CC[N@@H+](CC(=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393374 356989303 /nfs/dbraw/zinc/98/93/03/356989303.db2.gz AFIMQSUSIMGKTK-HNNXBMFYSA-N 1 0 276.380 1.915 40 0 CDABRO CCN(CCO)C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079393505 356990114 /nfs/dbraw/zinc/99/01/14/356990114.db2.gz LOGMKGZVCKTZDN-INIZCTEOSA-N 1 0 262.397 1.965 40 0 CDABRO CN(C(=O)OC(C)(C)C)C1CCC([NH2+]CCO)CC1 ZINC000079407924 356991233 /nfs/dbraw/zinc/99/12/33/356991233.db2.gz DVJJTVKEMZAVBC-UHFFFAOYSA-N 1 0 272.389 1.746 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CC[C@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079409855 356992338 /nfs/dbraw/zinc/99/23/38/356992338.db2.gz NTDGNDBPYIFROP-JQWIXIFHSA-N 1 0 297.399 1.334 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1nccnc1Cl ZINC000079435783 356996145 /nfs/dbraw/zinc/99/61/45/356996145.db2.gz RDXCQCNJEDBKDE-VIFPVBQESA-N 1 0 256.737 1.072 40 0 CDABRO CCCNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000046437991 357142817 /nfs/dbraw/zinc/14/28/17/357142817.db2.gz ZVZJIOBBVFCPKD-UHFFFAOYSA-N 1 0 276.384 1.970 40 0 CDABRO C[NH+]1CCC(C(=O)NCCCOC2CCCC2)CC1 ZINC000073174318 357870716 /nfs/dbraw/zinc/87/07/16/357870716.db2.gz XDCQCOSICPAVCX-UHFFFAOYSA-N 1 0 268.401 1.794 40 0 CDABRO Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000191163515 358116821 /nfs/dbraw/zinc/11/68/21/358116821.db2.gz OIHGYBLXXBTGAO-UHFFFAOYSA-N 1 0 295.814 1.626 40 0 CDABRO O=C1CC[C@@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CCN1 ZINC000566176195 358287732 /nfs/dbraw/zinc/28/77/32/358287732.db2.gz ISIJRFCLCMGXNI-UPJWGTAASA-N 1 0 252.358 1.014 40 0 CDABRO O=C1N(Cc2ccccc2F)CC[C@]12CCC[NH2+]C2 ZINC000023509076 358754341 /nfs/dbraw/zinc/75/43/41/358754341.db2.gz BCKIXMSLJIFNEA-HNNXBMFYSA-N 1 0 262.328 1.928 40 0 CDABRO O=C1N(CC2CC2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000096202854 358719372 /nfs/dbraw/zinc/71/93/72/358719372.db2.gz SSSJZJAHVTXNMZ-UHFFFAOYSA-N 1 0 285.391 1.916 40 0 CDABRO COC[C@@H]1CCC2(CCN(C(=O)N3CCCC3)CC2)[N@@H+]1C ZINC000096209080 358720157 /nfs/dbraw/zinc/72/01/57/358720157.db2.gz JDLUKMWDWWOWPB-AWEZNQCLSA-N 1 0 295.427 1.777 40 0 CDABRO c1ccc(OC[C@H]2COCCC23CC[NH2+]CC3)nc1 ZINC000096206659 358720548 /nfs/dbraw/zinc/72/05/48/358720548.db2.gz ZYMHFBWHJCTPDT-CYBMUJFWSA-N 1 0 262.353 1.867 40 0 CDABRO CC(C)CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncc(F)cn1 ZINC000096248860 358726788 /nfs/dbraw/zinc/72/67/88/358726788.db2.gz DUGKINZEMKOWKF-KGLIPLIRSA-N 1 0 294.374 1.551 40 0 CDABRO O=C1[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CCN1CC1CC1 ZINC000096249060 358726836 /nfs/dbraw/zinc/72/68/36/358726836.db2.gz LQVYSKQCACTRGL-UKRRQHHQSA-N 1 0 278.396 1.356 40 0 CDABRO Cc1ccc(C(=O)N2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC000096268855 358730658 /nfs/dbraw/zinc/73/06/58/358730658.db2.gz CBTAGUMFXQZLAK-MRXNPFEDSA-N 1 0 274.364 1.590 40 0 CDABRO COc1ccc([C@]2(C)CC(C[NH3+])=NO2)cc1OC ZINC000222551452 359354077 /nfs/dbraw/zinc/35/40/77/359354077.db2.gz XJCDMLIHZIXXBS-ZDUSSCGKSA-N 1 0 250.298 1.654 40 0 CDABRO [NH3+]C[C@H]1CCN(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000222537596 359351860 /nfs/dbraw/zinc/35/18/60/359351860.db2.gz ZRQKOGUCJBDTKO-LLVKDONJSA-N 1 0 274.773 1.203 40 0 CDABRO COc1ccc(Cc2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000062119701 359959626 /nfs/dbraw/zinc/95/96/26/359959626.db2.gz XZHAPHXMYHVPSP-NSHDSACASA-N 1 0 259.309 1.746 40 0 CDABRO COCC[NH+]1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC000042156367 364530189 /nfs/dbraw/zinc/53/01/89/364530189.db2.gz RQKKOWYWHBGREI-UHFFFAOYSA-N 1 0 292.379 1.536 40 0 CDABRO Cc1cc(OC[C@H](O)C[NH2+]C(C)(C)CO)ccc1Cl ZINC000026781302 373918452 /nfs/dbraw/zinc/91/84/52/373918452.db2.gz VEUZLCUABUMDSG-LLVKDONJSA-N 1 0 287.787 1.749 40 0 CDABRO [NH3+]CCc1nc(COc2ccc(Cl)cc2)no1 ZINC000019786262 374008077 /nfs/dbraw/zinc/00/80/77/374008077.db2.gz AXGVOHKWLSZMFM-UHFFFAOYSA-N 1 0 253.689 1.803 40 0 CDABRO C[NH2+][C@@H]1CCCN(C(=O)c2cccnc2Cl)C1 ZINC000079439458 374405165 /nfs/dbraw/zinc/40/51/65/374405165.db2.gz ICYKVZRCWUXDSZ-SECBINFHSA-N 1 0 253.733 1.559 40 0 CDABRO [NH3+]C[C@@H](C(=O)N1CCC(n2cncn2)CC1)c1ccccc1 ZINC000225471140 374480829 /nfs/dbraw/zinc/48/08/29/374480829.db2.gz DWFQXQOFLRFBTE-OAHLLOKOSA-N 1 0 299.378 1.184 40 0 CDABRO COc1cc(OC)cc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000019840899 374806121 /nfs/dbraw/zinc/80/61/21/374806121.db2.gz SZEXTGUURAXLBJ-MKBNYLNASA-N 1 0 294.395 1.813 40 0 CDABRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(F)ccc1O ZINC000080032099 374860773 /nfs/dbraw/zinc/86/07/73/374860773.db2.gz ZOGVWNFGGCIKRI-VIFPVBQESA-N 1 0 254.305 1.601 40 0 CDABRO CC(C)OC(=O)[C@H](C)CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000080529661 374955346 /nfs/dbraw/zinc/95/53/46/374955346.db2.gz GONYOMOXGXABBV-CHWSQXEVSA-N 1 0 299.415 1.310 40 0 CDABRO Cc1cccc(CN2C(=O)COC3(CC[NH2+]CC3)[C@@H]2C)n1 ZINC000306133685 374970897 /nfs/dbraw/zinc/97/08/97/374970897.db2.gz MSQCMCFTAYDFHG-ZDUSSCGKSA-N 1 0 289.379 1.260 40 0 CDABRO Cc1nn(C)cc1C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000256053825 190005162 /nfs/dbraw/zinc/00/51/62/190005162.db2.gz TUYGQWFTCVYMTD-UHFFFAOYSA-N 1 0 261.373 1.871 40 0 CDABRO COc1ccc(-c2ccc3nnc([C@H](C)[NH3+])n3n2)cc1 ZINC000217554751 375671244 /nfs/dbraw/zinc/67/12/44/375671244.db2.gz BPHBIHBUIOQBIA-VIFPVBQESA-N 1 0 269.308 1.820 40 0 CDABRO CNc1cc([C@@H]2CCCN(C(=O)C[NH2+]C)C2)ccn1 ZINC000257220315 190014869 /nfs/dbraw/zinc/01/48/69/190014869.db2.gz DKJBAQSUJGVBSY-GFCCVEGCSA-N 1 0 262.357 1.049 40 0 CDABRO Cc1nccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000257258579 190021916 /nfs/dbraw/zinc/02/19/16/190021916.db2.gz KUQHRENSRJSYQQ-LBPRGKRZSA-N 1 0 257.341 1.888 40 0 CDABRO Cn1cc(-c2cncc(C[C@H]3CCC[NH2+]C3)n2)cn1 ZINC000257289993 190027783 /nfs/dbraw/zinc/02/77/83/190027783.db2.gz QBAPCLRVSZWITL-LLVKDONJSA-N 1 0 257.341 1.419 40 0 CDABRO OC1(C[N@@H+]2CCC[C@H](c3cnccn3)C2)CCOCC1 ZINC000257299189 190029487 /nfs/dbraw/zinc/02/94/87/190029487.db2.gz RPBIVKGVWJRWLB-ZDUSSCGKSA-N 1 0 277.368 1.198 40 0 CDABRO C[C@]1(C(N)=O)C[N@H+](Cc2ccc3ccccc3c2)CCO1 ZINC000257301050 190030640 /nfs/dbraw/zinc/03/06/40/190030640.db2.gz RWUBTDHAVONRSZ-QGZVFWFLSA-N 1 0 284.359 1.916 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218556004 375856321 /nfs/dbraw/zinc/85/63/21/375856321.db2.gz SIXQGMGVEFVBGH-SDDRHHMPSA-N 1 0 273.785 1.815 40 0 CDABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](CC2(O)CCOCC2)C1 ZINC000257314500 190032537 /nfs/dbraw/zinc/03/25/37/190032537.db2.gz UXGLDSBJTBZRCB-GFCCVEGCSA-N 1 0 265.357 1.049 40 0 CDABRO C[N@@H+]1CCC[C@H](c2cncc(C(=O)NCC3CC3)n2)C1 ZINC000257316797 190032761 /nfs/dbraw/zinc/03/27/61/190032761.db2.gz VHAKYMNAYKSJHF-LBPRGKRZSA-N 1 0 274.368 1.426 40 0 CDABRO O=C(Cc1cccnc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257319332 190033770 /nfs/dbraw/zinc/03/37/70/190033770.db2.gz VRXSTWMMCLFDLP-MRXNPFEDSA-N 1 0 281.359 1.797 40 0 CDABRO O=C(c1ccoc1)N1CCC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC000096202698 256822935 /nfs/dbraw/zinc/82/29/35/256822935.db2.gz MEUWNXYPHHVVBH-CYBMUJFWSA-N 1 0 290.363 1.464 40 0 CDABRO CC(=O)N(C1CC1)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079418130 390421880 /nfs/dbraw/zinc/42/18/80/390421880.db2.gz HMORCFYIDHFFMX-ILXRZTDVSA-N 1 0 295.427 1.408 40 0 CDABRO C[C@@H](Oc1ncc(Br)cn1)[C@H]1CC[N@H+](C)C1 ZINC000096515821 390533092 /nfs/dbraw/zinc/53/30/92/390533092.db2.gz ZRRRAEIZYIQRST-BDAKNGLRSA-N 1 0 286.173 1.958 40 0 CDABRO CC[C@@H]([C@@H]([NH3+])c1ccc(OC)cc1)S(=O)(=O)CC ZINC000096524994 390539431 /nfs/dbraw/zinc/53/94/31/390539431.db2.gz IUGKMHOOMJXAFA-STQMWFEESA-N 1 0 271.382 1.908 40 0 CDABRO O=C(Nc1ccccc1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000072208470 390616778 /nfs/dbraw/zinc/61/67/78/390616778.db2.gz PJYHHMYRHZBZFV-GFCCVEGCSA-N 1 0 271.324 1.455 40 0 CDABRO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCOCC2)O1 ZINC000096057477 390912374 /nfs/dbraw/zinc/91/23/74/390912374.db2.gz CILXONZQQBKPDG-RBSFLKMASA-N 1 0 296.411 1.123 40 0 CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1CCCCCCC1 ZINC000026439591 391106153 /nfs/dbraw/zinc/10/61/53/391106153.db2.gz ZCOULDBNTPTGPS-CQSZACIVSA-N 1 0 269.433 1.709 40 0 CDABRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)CN1CCC(C)CC1 ZINC000096424716 391190366 /nfs/dbraw/zinc/19/03/66/391190366.db2.gz VOJUROBBYILNPW-BRWVUGGUSA-N 1 0 298.471 1.705 40 0 CDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000242688237 391589384 /nfs/dbraw/zinc/58/93/84/391589384.db2.gz VLUQFGBQDHELRD-NWDGAFQWSA-N 1 0 279.336 1.522 40 0 CDABRO CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2c1ccccc1 ZINC000067897055 391964026 /nfs/dbraw/zinc/96/40/26/391964026.db2.gz XBZFBDHVFRVFSG-CABCVRRESA-N 1 0 274.364 1.759 40 0 biogenic,in-vitro CDABRO COCCN1c2ccc(SCC[NH3+])cc2CCC1=O ZINC000218812147 130771270 /nfs/dbraw/zinc/77/12/70/130771270.db2.gz ATHYMZRHKGRXDX-UHFFFAOYSA-N 1 0 280.393 1.663 40 0 CDABRO Cc1nc(CN2CCC[C@@]3(C[NH2+]CCO3)C2)cs1 ZINC000096226813 393009959 /nfs/dbraw/zinc/00/99/59/393009959.db2.gz INZIPKJJZCWIBU-CYBMUJFWSA-N 1 0 267.398 1.406 40 0 CDABRO C[C@H]1Oc2ncc(Cl)cc2N(CC[NH+](C)C)C1=O ZINC000005721845 134658475 /nfs/dbraw/zinc/65/84/75/134658475.db2.gz PJGMSCQORHCNPE-MRVPVSSYSA-N 1 0 269.732 1.411 40 0 CDABRO CC(=O)NC1CCC([NH2+][C@@H]2CCCCC[C@@H]2CO)CC1 ZINC000133576852 413119478 /nfs/dbraw/zinc/11/94/78/413119478.db2.gz MNECSVLOXBVPKF-PRLABOORSA-N 1 0 282.428 1.965 40 0 CDABRO Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCC[NH2+]3)ccc12 ZINC000005273637 170081503 /nfs/dbraw/zinc/08/15/03/170081503.db2.gz HSLXTZWJAHQHHF-GFCCVEGCSA-N 1 0 272.304 1.792 40 0 CDABRO CCN(CC)C(=O)[C@@H]([NH3+])Cc1ccc(OC)cc1 ZINC000005807552 170142147 /nfs/dbraw/zinc/14/21/47/170142147.db2.gz PATHQBZMXUMEQX-ZDUSSCGKSA-N 1 0 250.342 1.433 40 0 CDABRO COc1ccc(Cl)cc1CNCC[NH2+]CCO ZINC000022076444 171352046 /nfs/dbraw/zinc/35/20/46/171352046.db2.gz VGZLWBUHHCVGDQ-UHFFFAOYSA-N 1 0 258.749 1.020 40 0 CDABRO COc1ccc(NC(=O)C[NH2+]CCN2CCCCC2)cc1 ZINC000035311506 172122363 /nfs/dbraw/zinc/12/23/63/172122363.db2.gz CZWMBPVIRCJFRN-UHFFFAOYSA-N 1 0 291.395 1.709 40 0 CDABRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000038832718 174157142 /nfs/dbraw/zinc/15/71/42/174157142.db2.gz CHEOHXDFISCJJK-MRXNPFEDSA-N 1 0 288.391 1.757 40 0 CDABRO [NH3+]CC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000044513041 175189003 /nfs/dbraw/zinc/18/90/03/175189003.db2.gz ZWDYAUNKGJEJIB-AWEZNQCLSA-N 1 0 276.336 1.024 40 0 CDABRO COCc1cc(CC2([NH2+]C3CCC3)COC2)no1 ZINC000067897959 175801345 /nfs/dbraw/zinc/80/13/45/175801345.db2.gz IZKKEVGPGPJZHH-UHFFFAOYSA-N 1 0 252.314 1.275 40 0 biogenic,in-vitro CDABRO CCOc1ccc2c(c1)c(=O)c1c(n2C)CC[NH2+]C1 ZINC000072221278 176342649 /nfs/dbraw/zinc/34/26/49/176342649.db2.gz GDMRUQKVDCKLJV-UHFFFAOYSA-N 1 0 258.321 1.583 40 0 CDABRO Cc1cc(C(=O)N2CCC[N@H+](CC3CC3)CC2)n(C)n1 ZINC000072254223 176350369 /nfs/dbraw/zinc/35/03/69/176350369.db2.gz KFNOIYYHYPCBHG-UHFFFAOYSA-N 1 0 276.384 1.286 40 0 CDABRO C=Cn1cc(CN2CC[NH+](CCOC)CC2)c(C)n1 ZINC000072397824 176395624 /nfs/dbraw/zinc/39/56/24/176395624.db2.gz RNEILNPWZFECSO-UHFFFAOYSA-N 1 0 264.373 1.056 40 0 CDABRO Cc1nc(NCc2ccco2)nc2c1C[N@H+](C)CC2 ZINC000072415034 176399186 /nfs/dbraw/zinc/39/91/86/176399186.db2.gz SAZBIMZKBWCXMW-UHFFFAOYSA-N 1 0 258.325 1.978 40 0 CDABRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(C)n1 ZINC000078499302 177347650 /nfs/dbraw/zinc/34/76/50/177347650.db2.gz NYUAANDMCCVBGP-CQSZACIVSA-N 1 0 261.369 1.881 40 0 CDABRO C[C@@H]1CCCN(S(=O)(=O)c2ccsc2C[NH3+])C1 ZINC000015424082 287359244 /nfs/dbraw/zinc/35/92/44/287359244.db2.gz GMCRLPGIMVXHAG-SECBINFHSA-N 1 0 274.411 1.627 40 0 CDABRO CC(C)c1ccccc1N1CC[C@@H](C[NH3+])S1(=O)=O ZINC000222540873 276060669 /nfs/dbraw/zinc/06/06/69/276060669.db2.gz WEAWXQBJHHQPNN-NSHDSACASA-N 1 0 268.382 1.677 40 0 CDABRO CC[N@@H+]1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257293284 276254026 /nfs/dbraw/zinc/25/40/26/276254026.db2.gz QOWOZISETLFMMZ-ZIAGYGMSSA-N 1 0 260.337 1.118 40 0 CDABRO C[NH+]1CCC(Cc2cccc(N3CCOC3=O)n2)CC1 ZINC000257287776 277026927 /nfs/dbraw/zinc/02/69/27/277026927.db2.gz PRMIOOBAINIUNB-UHFFFAOYSA-N 1 0 275.352 1.923 40 0 CDABRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]21 ZINC000096058275 277245062 /nfs/dbraw/zinc/24/50/62/277245062.db2.gz USZXLHMVZXYJEK-HZSPNIEDSA-N 1 0 278.352 1.253 40 0 CDABRO CC(=O)N[C@H]1C[NH2+]C2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000257235864 278181683 /nfs/dbraw/zinc/18/16/83/278181683.db2.gz GZWYMDWRRAXFMU-GFCCVEGCSA-N 1 0 297.399 1.254 40 0 CDABRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCN1CCOC1=O ZINC000076325342 280210375 /nfs/dbraw/zinc/21/03/75/280210375.db2.gz PHRBDCPEMDIBGR-NWDGAFQWSA-N 1 0 256.346 1.064 40 0 CDABRO Cc1cc(C)c(N2CC[C@@H](C[NH3+])S2(=O)=O)c(C)c1 ZINC000222541153 280386282 /nfs/dbraw/zinc/38/62/82/280386282.db2.gz RTZHEBZXACIKNJ-LBPRGKRZSA-N 1 0 268.382 1.479 40 0 CDABRO Cc1ccc([C@]2(C)NC(=[NH2+])NC(=N)N2c2ccccc2)o1 ZINC000054363794 281007703 /nfs/dbraw/zinc/00/77/03/281007703.db2.gz URHNXRBCBRBQQS-OAHLLOKOSA-N 1 0 283.335 1.910 40 0 CDABRO COc1ccc([C@@H]2C[NH2+][C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000409412896 295226048 /nfs/dbraw/zinc/22/60/48/295226048.db2.gz UIPRDYMNHVODCQ-ARFHVFGLSA-N 1 0 274.364 1.762 40 0 CDABRO FC(F)(F)c1nc2cccnc2n1[C@H]1CC[NH2+]C1 ZINC000076004517 538435723 /nfs/dbraw/zinc/43/57/23/538435723.db2.gz VGODKWRHTYKUIJ-ZETCQYMHSA-N 1 0 256.231 1.985 40 0 CDABRO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC000096055852 720326681 /nfs/dbraw/zinc/32/66/81/720326681.db2.gz IUCBDPHUOVQHFF-CABCVRRESA-N 1 0 281.363 1.725 40 0 CDABRO CCc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2OC)oc1CC ZINC001548448227 969436465 /nfs/dbraw/zinc/43/64/65/969436465.db2.gz WJBZIYRSMSHIAB-GXFFZTMASA-N 1 0 266.341 1.121 40 0 CDABRO C[C@@H]([NH3+])c1nc(-c2cc(Br)ccc2O)n[nH]1 ZINC000095534669 185005537 /nfs/dbraw/zinc/00/55/37/185005537.db2.gz VLIWRUBZNZVIEG-RXMQYKEDSA-N 1 0 283.129 1.960 40 0 CDABRO CSCC[C@@H]([NH3+])C(=O)N1CCOC2(CCCC2)C1 ZINC000157542086 342004067 /nfs/dbraw/zinc/00/40/67/342004067.db2.gz MGOMLAYRMWRZHZ-LLVKDONJSA-N 1 0 272.414 1.238 40 0 CDABRO c1cn(C[C@H]2CO[C@]3(C2)COCC[N@@H+](CC2CC2)C3)cn1 ZINC000096052079 185074563 /nfs/dbraw/zinc/07/45/63/185074563.db2.gz PKAXKJCIPPEIKT-HOTGVXAUSA-N 1 0 291.395 1.401 40 0 CDABRO COc1ccccc1C[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC000096044283 185071562 /nfs/dbraw/zinc/07/15/62/185071562.db2.gz SLYZUHAITNOXIZ-OAHLLOKOSA-N 1 0 287.363 1.832 40 0 CDABRO O=C(NCc1cc(Cl)ccn1)C1CC[NH2+]CC1 ZINC000141671760 361763234 /nfs/dbraw/zinc/76/32/34/361763234.db2.gz KNNQTIVQDYHUHU-UHFFFAOYSA-N 1 0 253.733 1.351 40 0 CDABRO COc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]32)cc1 ZINC000096056446 185078119 /nfs/dbraw/zinc/07/81/19/185078119.db2.gz HZHCBXPDCQUAHW-KGLIPLIRSA-N 1 0 260.337 1.548 40 0 CDABRO Cn1cc([C@H]2CC(=O)NC23CC[NH+](CC2CC2)CC3)cn1 ZINC000096061503 185082715 /nfs/dbraw/zinc/08/27/15/185082715.db2.gz XJSFEURDCLPNJC-CQSZACIVSA-N 1 0 288.395 1.268 40 0 CDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccsc1)CC[C@@H]2OC ZINC000096109395 185100362 /nfs/dbraw/zinc/10/03/62/185100362.db2.gz OREWWAGSTKVMET-MJBXVCDLSA-N 1 0 294.420 1.929 40 0 CDABRO Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cn1 ZINC000096110628 185101062 /nfs/dbraw/zinc/10/10/62/185101062.db2.gz JNNFXHYLKZATFK-CALCHBBNSA-N 1 0 297.406 1.379 40 0 CDABRO CC(=O)N1CC[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)CC1 ZINC000585260811 342249058 /nfs/dbraw/zinc/24/90/58/342249058.db2.gz FPJGGSHKDZCDEQ-IRXDYDNUSA-N 1 0 288.391 1.417 40 0 CDABRO C[C@H](CO)N(Cc1nsc(N(C)C)n1)C1CCCC1 ZINC000329931815 362095972 /nfs/dbraw/zinc/09/59/72/362095972.db2.gz IKNUVJKXLXHFGU-SNVBAGLBSA-N 1 0 284.429 1.730 40 0 CDABRO Cc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3C(C)C)n1 ZINC000107251517 186164891 /nfs/dbraw/zinc/16/48/91/186164891.db2.gz ZMQNNQXKYCQABV-HUUCEWRRSA-N 1 0 273.380 1.974 40 0 CDABRO C[C@@H](O)C[NH+]1CCC(CN(C)c2cnccn2)CC1 ZINC000112556444 186505105 /nfs/dbraw/zinc/50/51/05/186505105.db2.gz PKDRIIYUODSLHU-GFCCVEGCSA-N 1 0 264.373 1.006 40 0 CDABRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@]31CC[N@@H+](C)C2 ZINC000003872661 356012205 /nfs/dbraw/zinc/01/22/05/356012205.db2.gz ASUTZQLVASHGKV-RVSPLBMKSA-N 1 0 287.359 1.850 40 0 biogenic CDABRO Cc1c2c(nn1C)nc(N1CC[NH2+]CC1)cc2C(F)F ZINC000012398906 356298014 /nfs/dbraw/zinc/29/80/14/356298014.db2.gz SOCXOVLELPHGPJ-UHFFFAOYSA-N 1 0 281.310 1.624 40 0 CDABRO CC[NH+](CC)CCCNC(=O)c1cc(C2CC2)n[nH]1 ZINC000036613927 356407983 /nfs/dbraw/zinc/40/79/83/356407983.db2.gz BCUMCPMGEXGHGU-UHFFFAOYSA-N 1 0 264.373 1.749 40 0 CDABRO c1ccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)nc1 ZINC000019401875 356484175 /nfs/dbraw/zinc/48/41/75/356484175.db2.gz AMEUGNSHBJKPDF-INIZCTEOSA-N 1 0 295.390 1.854 40 0 CDABRO Cc1nn(C)c(C)c1-c1noc(C2CC[NH2+]CC2)n1 ZINC000095095285 366326414 /nfs/dbraw/zinc/32/64/14/366326414.db2.gz DHYPXKBUIJUVPJ-UHFFFAOYSA-N 1 0 261.329 1.554 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391375 356988286 /nfs/dbraw/zinc/98/82/86/356988286.db2.gz PKWVRVJWVRKMRD-NEPJUHHUSA-N 1 0 299.415 1.485 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000079409971 356992716 /nfs/dbraw/zinc/99/27/16/356992716.db2.gz OAFVRMHLHJWKMK-NEPJUHHUSA-N 1 0 299.415 1.485 40 0 CDABRO COC[C@@](C)(NC(=O)C[NH+](C)C)c1ccccc1 ZINC000135166647 357742737 /nfs/dbraw/zinc/74/27/37/357742737.db2.gz KQJJXMAJCDJLLC-CQSZACIVSA-N 1 0 250.342 1.226 40 0 CDABRO CN(C)c1nccnc1[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000072364355 357831128 /nfs/dbraw/zinc/83/11/28/357831128.db2.gz ZKXNTVNVDAXERO-CYBMUJFWSA-N 1 0 276.384 1.859 40 0 CDABRO O=S(=O)(c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000140436223 358065223 /nfs/dbraw/zinc/06/52/23/358065223.db2.gz VRVRCUFLHLPUHB-UHFFFAOYSA-N 1 0 259.758 1.866 40 0 CDABRO C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)C[NH+](C)C)C1 ZINC000135278312 358146307 /nfs/dbraw/zinc/14/63/07/358146307.db2.gz BHEZIRZWZCRQBZ-SMDDNHRTSA-N 1 0 256.390 1.242 40 0 CDABRO Cn1cc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)cn1 ZINC000095348275 358682533 /nfs/dbraw/zinc/68/25/33/358682533.db2.gz QHVMMVTUNRJUHT-NSHDSACASA-N 1 0 266.345 1.302 40 0 CDABRO Cc1cccnc1N1CC2(C1)CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096202665 358719047 /nfs/dbraw/zinc/71/90/47/358719047.db2.gz FFGZXSBCQOEMAS-UHFFFAOYSA-N 1 0 297.406 1.836 40 0 CDABRO Cn1cccc1C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](C)C2)O1 ZINC000096206734 358719963 /nfs/dbraw/zinc/71/99/63/358719963.db2.gz PUABWTNSQIJZBM-CZUORRHYSA-N 1 0 291.395 1.398 40 0 CDABRO CC(C)[N@@H+]1CCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096239447 358725085 /nfs/dbraw/zinc/72/50/85/358725085.db2.gz KUCRMCNTJCAAJP-UHFFFAOYSA-N 1 0 274.368 1.566 40 0 CDABRO CCS(=O)(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000096245391 358725477 /nfs/dbraw/zinc/72/54/77/358725477.db2.gz DYIFVZMJMVTUJL-HUUCEWRRSA-N 1 0 294.420 1.400 40 0 CDABRO Cc1cccc(C[N@@H+]2CCc3ncnc(N(C)C)c3CC2)n1 ZINC000096255393 358728854 /nfs/dbraw/zinc/72/88/54/358728854.db2.gz LXAHKWSSUABQPX-UHFFFAOYSA-N 1 0 297.406 1.847 40 0 CDABRO Cn1cnc2c1CCN(CC1CC1)[C@@H]2C[NH+]1CCCC1 ZINC000096259797 358729818 /nfs/dbraw/zinc/72/98/18/358729818.db2.gz XVYIUAYSSCIWKH-OAHLLOKOSA-N 1 0 274.412 1.825 40 0 CDABRO CNC(=O)N1Cc2cc(F)ccc2C2(CC[NH+](C)CC2)C1 ZINC000096261756 358730981 /nfs/dbraw/zinc/73/09/81/358730981.db2.gz MABPUWYQPPTWLA-UHFFFAOYSA-N 1 0 291.370 1.944 40 0 CDABRO [NH3+]CCN1C(=O)S[C@@H](CC2CCCCC2)C1=O ZINC000113466402 358731896 /nfs/dbraw/zinc/73/18/96/358731896.db2.gz LEKLOEUEJXLUNK-JTQLQIEISA-N 1 0 256.371 1.980 40 0 CDABRO CCOc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1O ZINC000033767902 360175972 /nfs/dbraw/zinc/17/59/72/360175972.db2.gz SVCOMDDFMAWGHD-UHFFFAOYSA-N 1 0 278.352 1.488 40 0 CDABRO CCCOc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000192679945 363971135 /nfs/dbraw/zinc/97/11/35/363971135.db2.gz YWWXIZPUZBXWFK-UHFFFAOYSA-N 1 0 293.367 1.092 40 0 CDABRO CC(=O)N[C@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(C)C1 ZINC000012529853 367744923 /nfs/dbraw/zinc/74/49/23/367744923.db2.gz FICYPESHIKJHLU-RYUDHWBXSA-N 1 0 287.323 1.013 40 0 biogenic,in-vitro CDABRO COc1cc(OC)cc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000019840892 374805935 /nfs/dbraw/zinc/80/59/35/374805935.db2.gz SZEXTGUURAXLBJ-BFQNTYOBSA-N 1 0 294.395 1.813 40 0 CDABRO C[N@@H+]1CCC[C@H](n2ncc3cnc(Cl)nc32)C1 ZINC000095097370 374871292 /nfs/dbraw/zinc/87/12/92/374871292.db2.gz LCDGTXXINHMRGO-VIFPVBQESA-N 1 0 251.721 1.746 40 0 CDABRO CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCCOCC1 ZINC000225583673 375166325 /nfs/dbraw/zinc/16/63/25/375166325.db2.gz YXYIPNWDACGGCY-CQSZACIVSA-N 1 0 283.416 1.683 40 0 CDABRO C[NH+](C)CCNC(=O)c1cn(-c2ccc(F)cc2)cn1 ZINC000227115345 375445258 /nfs/dbraw/zinc/44/52/58/375445258.db2.gz GOVGAUHRDLJXEA-UHFFFAOYSA-N 1 0 276.315 1.303 40 0 CDABRO Cc1nn(C)cc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256050342 190003016 /nfs/dbraw/zinc/00/30/16/190003016.db2.gz DRNVIIFDIVNTCI-UHFFFAOYSA-N 1 0 287.289 1.777 40 0 CDABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000257200760 190011006 /nfs/dbraw/zinc/01/10/06/190011006.db2.gz AEUIGAITODSFCO-GFCCVEGCSA-N 1 0 287.367 1.347 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc3c(s2)CCC3)C1 ZINC000257229696 190015963 /nfs/dbraw/zinc/01/59/63/190015963.db2.gz FZEJHGPTVZSCGE-OAHLLOKOSA-N 1 0 294.420 1.375 40 0 CDABRO Cn1nccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C ZINC000257232981 190017138 /nfs/dbraw/zinc/01/71/38/190017138.db2.gz GNFFZSRAJMAKIN-ZFWWWQNUSA-N 1 0 276.384 1.509 40 0 CDABRO CNc1cc([C@H]2CCCN(C(=O)C[NH2+]C)C2)ccn1 ZINC000257220316 190014966 /nfs/dbraw/zinc/01/49/66/190014966.db2.gz DKJBAQSUJGVBSY-LBPRGKRZSA-N 1 0 262.357 1.049 40 0 CDABRO CN1CCC([N@@H+]2CCOC[C@H](Cc3ccncn3)C2)CC1 ZINC000257257526 190021603 /nfs/dbraw/zinc/02/16/03/190021603.db2.gz KQAMFQCPORNISQ-CQSZACIVSA-N 1 0 290.411 1.062 40 0 CDABRO Cn1nccc1CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257258876 190021776 /nfs/dbraw/zinc/02/17/76/190021776.db2.gz KVWIBZRGYGUIMG-INIZCTEOSA-N 1 0 298.390 1.526 40 0 CDABRO CNC(=O)[C@H]1CN(Cc2cccc(F)c2F)CC[N@H+](C)C1 ZINC000257275244 190024931 /nfs/dbraw/zinc/02/49/31/190024931.db2.gz NOMXRRLHKJXWDF-GFCCVEGCSA-N 1 0 297.349 1.074 40 0 CDABRO Nc1nccnc1C[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000257309740 190030920 /nfs/dbraw/zinc/03/09/20/190030920.db2.gz UCFKLSBTMMAQSW-LBPRGKRZSA-N 1 0 284.367 1.304 40 0 CDABRO COCC[C@@H]1CCOC2(C[NH+](C3CCOCC3)C2)C1 ZINC000247816929 285151410 /nfs/dbraw/zinc/15/14/10/285151410.db2.gz BQKZAJHVKKWNOF-CYBMUJFWSA-N 1 0 269.385 1.683 40 0 CDABRO CC(C)C[N@@H+]1CCC[C@@]12CCN(C(=O)c1cnccn1)C2 ZINC000096203044 256822432 /nfs/dbraw/zinc/82/24/32/256822432.db2.gz RYSJTUAUVRHMLJ-INIZCTEOSA-N 1 0 288.395 1.813 40 0 CDABRO C[N@@H+]1C[C@@H]2COC[C@]2(CC(=O)NCCc2ccccc2)C1 ZINC000096206406 256824090 /nfs/dbraw/zinc/82/40/90/256824090.db2.gz KOPQPAAVRHADNI-WBVHZDCISA-N 1 0 288.391 1.314 40 0 CDABRO CN(C)C(=O)[C@]1(C)C[N@H+](CCc2ccccc2)CCO1 ZINC000072379287 390628175 /nfs/dbraw/zinc/62/81/75/390628175.db2.gz YWSWLULBZMRJND-INIZCTEOSA-N 1 0 276.380 1.408 40 0 CDABRO C[C@H](NCCC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000026439564 391105784 /nfs/dbraw/zinc/10/57/84/391105784.db2.gz MNFVVDCATODWRQ-STQMWFEESA-N 1 0 255.406 1.317 40 0 CDABRO CC(C)Nc1ncc(CNCCC[NH+](C)C)cn1 ZINC000062718445 391575701 /nfs/dbraw/zinc/57/57/01/391575701.db2.gz ZAZHUHZOAPZCCM-UHFFFAOYSA-N 1 0 251.378 1.338 40 0 CDABRO CC(C)[N@@H+]1CCC[C@H](c2ccnc3c(C(N)=O)cnn32)C1 ZINC000257284707 397607434 /nfs/dbraw/zinc/60/74/34/397607434.db2.gz PDXGTZIYWXDRBS-NSHDSACASA-N 1 0 287.367 1.416 40 0 CDABRO Cc1cc(C)cc(S(=O)(=O)C2CC[NH2+]CC2)c1 ZINC000199774562 397719547 /nfs/dbraw/zinc/71/95/47/397719547.db2.gz OXAFDZMLSBJQIZ-UHFFFAOYSA-N 1 0 253.367 1.829 40 0 CDABRO O=C(N[C@]1(CF)CC[NH2+]C1)OCc1ccccc1 ZINC000199714089 397719583 /nfs/dbraw/zinc/71/95/83/397719583.db2.gz SDOXFJORQOAOFO-ZDUSSCGKSA-N 1 0 252.289 1.614 40 0 CDABRO c1cncc(N2CCO[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)c1 ZINC000096081755 398070419 /nfs/dbraw/zinc/07/04/19/398070419.db2.gz SFVFBDLXHMYXQE-IMJJTQAJSA-N 1 0 289.379 1.008 40 0 CDABRO CCOC(=O)[C@@H]1C(C)[C@@H](C(=O)OCC)[C@H](C)[NH2+][C@@H]1C ZINC000004404177 285856549 /nfs/dbraw/zinc/85/65/49/285856549.db2.gz LORBKPOPJYPMLM-UPUXHGCUSA-N 1 0 271.357 1.361 40 0 CDABRO Cc1ccc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3CC2)nn1 ZINC000096082181 292138955 /nfs/dbraw/zinc/13/89/55/292138955.db2.gz RUAFSQMCKDJSHL-CHWSQXEVSA-N 1 0 262.357 1.084 40 0 CDABRO CCOC(=O)c1cn2ccccc2c(C(C)=O)c1=[NH2+] ZINC000005373944 170090336 /nfs/dbraw/zinc/09/03/36/170090336.db2.gz LTHKQQSMKMEBQF-UHFFFAOYSA-N 1 0 258.277 1.798 40 0 CDABRO CC[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccc(CO)o1 ZINC000039560680 174170273 /nfs/dbraw/zinc/17/02/73/174170273.db2.gz FTSFPPXHMMUANZ-MELADBBJSA-N 1 0 278.396 1.982 40 0 biogenic,in-vitro CDABRO CC[C@H](Oc1ccccc1C)C(=O)NCC[NH+](C)C ZINC000044902628 175274538 /nfs/dbraw/zinc/27/45/38/175274538.db2.gz MZLJZLNNRAJDDA-ZDUSSCGKSA-N 1 0 264.369 1.830 40 0 CDABRO Cc1nc(CCC(=O)N(C)C)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072344298 176373168 /nfs/dbraw/zinc/37/31/68/176373168.db2.gz NHILYYDBIMVHOS-GFCCVEGCSA-N 1 0 276.384 1.273 40 0 CDABRO NC(=O)c1cccc(-c2cnc(C[C@H]3CCC[NH2+]C3)cn2)c1 ZINC000072365530 176380348 /nfs/dbraw/zinc/38/03/48/176380348.db2.gz NFTCYTISTXUWQB-GFCCVEGCSA-N 1 0 296.374 1.785 40 0 CDABRO Cc1cnc(C[C@@H]2COCC[N@@H+](C3CCOCC3)C2)cn1 ZINC000072388208 176393436 /nfs/dbraw/zinc/39/34/36/176393436.db2.gz VTYKYRBEUYOQCE-AWEZNQCLSA-N 1 0 291.395 1.455 40 0 CDABRO Cc1nc2c(c(=O)[nH]1)CC[C@@H]1C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000072397492 176395099 /nfs/dbraw/zinc/39/50/99/176395099.db2.gz KUCBWCMEAFQVRD-DOMZBBRYSA-N 1 0 296.374 1.635 40 0 CDABRO CCOc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)cc1 ZINC000072397641 176395279 /nfs/dbraw/zinc/39/52/79/176395279.db2.gz QQIFUIXIROAAQF-FVQBIDKESA-N 1 0 290.407 1.725 40 0 CDABRO CC1(C)CN(C(=O)[C@H]2CCC[NH2+]CC2)C(C)(C)CO1 ZINC000653091727 423996311 /nfs/dbraw/zinc/99/63/11/423996311.db2.gz FOQCCVXRQCBZCV-LBPRGKRZSA-N 1 0 268.401 1.792 40 0 CDABRO O=C(c1ccco1)N1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC000096241222 265345640 /nfs/dbraw/zinc/34/56/40/265345640.db2.gz RXKHSWOZIHYSTD-DGCLKSJQSA-N 1 0 252.289 1.443 40 0 CDABRO O=C1NC2(CC[NH2+]CC2)Nc2ccc(Cl)cc21 ZINC000013566786 275022534 /nfs/dbraw/zinc/02/25/34/275022534.db2.gz NLHBAYGLPGIPCY-UHFFFAOYSA-N 1 0 251.717 1.575 40 0 CDABRO CC(=O)N1C[C@@H]2C[N@@H+](C3CCCCC3)CCN2C(C)(C)C1 ZINC000253395065 277018526 /nfs/dbraw/zinc/01/85/26/277018526.db2.gz BOOWNGHGIAIWIE-INIZCTEOSA-N 1 0 293.455 1.946 40 0 biogenic,in-vitro CDABRO C[N@@H+]1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1cnccn1 ZINC000257298299 277070875 /nfs/dbraw/zinc/07/08/75/277070875.db2.gz RLCJWOJRYUDQRJ-HIFRSBDPSA-N 1 0 274.368 1.566 40 0 CDABRO Cc1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)on1 ZINC000069052546 280369049 /nfs/dbraw/zinc/36/90/49/280369049.db2.gz DZDAYWXNNRMCQT-UHFFFAOYSA-N 1 0 257.293 1.881 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391225 289762900 /nfs/dbraw/zinc/76/29/00/289762900.db2.gz REDRTODBLIBYAX-QWRGUYRKSA-N 1 0 285.388 1.192 40 0 CDABRO CC(C)c1ccccc1N1CC[C@H](C[NH3+])S1(=O)=O ZINC000260786318 328069103 /nfs/dbraw/zinc/06/91/03/328069103.db2.gz WEAWXQBJHHQPNN-LLVKDONJSA-N 1 0 268.382 1.677 40 0 CDABRO COCc1nnc(C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000257339944 327137089 /nfs/dbraw/zinc/13/70/89/327137089.db2.gz ZDWHVYTUMSLWRW-STQMWFEESA-N 1 0 295.383 1.699 40 0 CDABRO Cc1ncsc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682556431 483286157 /nfs/dbraw/zinc/28/61/57/483286157.db2.gz JBNZVESHSFILGY-UMNHJUIQSA-N 1 0 265.382 1.537 40 0 CDABRO Cc1cc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)cs1 ZINC000932831069 933764236 /nfs/dbraw/zinc/76/42/36/933764236.db2.gz MKHREMPPMUUKPX-CYBMUJFWSA-N 1 0 294.420 1.520 40 0 CDABRO CC(=O)Nc1nnc(SCC2CC[NH2+]CC2)s1 ZINC001554503255 964981983 /nfs/dbraw/zinc/98/19/83/964981983.db2.gz SFUHZSHRXMVYQM-UHFFFAOYSA-N 1 0 272.399 1.588 40 0 CDABRO CN(C)C(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096038692 185069482 /nfs/dbraw/zinc/06/94/82/185069482.db2.gz YQQXVCAUGVHNHU-GDBMZVCRSA-N 1 0 289.379 1.151 40 0 CDABRO CO[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096048136 185073492 /nfs/dbraw/zinc/07/34/92/185073492.db2.gz QIRKUWDNJMTHCZ-CQSZACIVSA-N 1 0 262.353 1.852 40 0 CDABRO C[NH+](C)C[C@H]1CO[C@@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096051917 185074155 /nfs/dbraw/zinc/07/41/55/185074155.db2.gz OEOZLFWSQPTAQX-GOEBONIOSA-N 1 0 294.395 1.449 40 0 CDABRO C[C@H]1NC(=O)COC12CC[NH+](Cc1ccsc1)CC2 ZINC000096062190 185082291 /nfs/dbraw/zinc/08/22/91/185082291.db2.gz ZSHXJBDHKCQALK-LLVKDONJSA-N 1 0 280.393 1.618 40 0 CDABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2Cc2ccncc2)cn1 ZINC000096061714 185082773 /nfs/dbraw/zinc/08/27/73/185082773.db2.gz DQZWEFJPTJMXQE-SJORKVTESA-N 1 0 299.422 1.562 40 0 CDABRO CCOCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096064027 185083787 /nfs/dbraw/zinc/08/37/87/185083787.db2.gz VXLFBMKHSFVVRJ-GJZGRUSLSA-N 1 0 289.379 1.293 40 0 CDABRO COCC[C@@H]1CO[C@]2(CC[N@H+](Cc3[nH]cnc3C)C2)C1 ZINC000096072071 185087549 /nfs/dbraw/zinc/08/75/49/185087549.db2.gz ANNNFYNOQVMSNQ-DZGCQCFKSA-N 1 0 279.384 1.736 40 0 CDABRO COc1cc(N2CC[C@@]3(CC[N@@H+]3CC3CC3)C2)ncn1 ZINC000096075986 185089792 /nfs/dbraw/zinc/08/97/92/185089792.db2.gz LYXVBXPHKPJUDK-OAHLLOKOSA-N 1 0 274.368 1.550 40 0 CDABRO Cn1nccc1C(=O)N[C@H]1CCCC[C@@H]1C[NH+](C)C ZINC000072245577 282133571 /nfs/dbraw/zinc/13/35/71/282133571.db2.gz HEDDMWVILPHQQM-NEPJUHHUSA-N 1 0 264.373 1.270 40 0 CDABRO Nc1ncc(C[NH2+]CCc2c[nH]c3ccccc23)cn1 ZINC000062717383 342163105 /nfs/dbraw/zinc/16/31/05/342163105.db2.gz IKBOGYZPXRVRLX-UHFFFAOYSA-N 1 0 267.336 1.872 40 0 CDABRO C[C@@]1(C(N)=O)CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000585263335 342251191 /nfs/dbraw/zinc/25/11/91/342251191.db2.gz WBZUTETWSZVGCM-CYBMUJFWSA-N 1 0 254.374 1.269 40 0 CDABRO CN1CC[NH+](CCCCOc2ccc(C=O)cc2)CC1 ZINC000090669217 180020519 /nfs/dbraw/zinc/02/05/19/180020519.db2.gz WFNABXNQTTUSHF-UHFFFAOYSA-N 1 0 276.380 1.906 40 0 CDABRO c1ccc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)nc1 ZINC000107746664 186188719 /nfs/dbraw/zinc/18/87/19/186188719.db2.gz GIIGNWXDMJMFCV-SJORKVTESA-N 1 0 287.407 1.767 40 0 CDABRO Cn1cc(N2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2ccco2)cn1 ZINC000108431224 186216203 /nfs/dbraw/zinc/21/62/03/186216203.db2.gz FHXPBCCMXDUKCI-KGLIPLIRSA-N 1 0 286.335 1.393 40 0 CDABRO CN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2F)[C@@H]2CCO[C@@H]21 ZINC000108529389 186221819 /nfs/dbraw/zinc/22/18/19/186221819.db2.gz OTBUJYHYUUJLLE-NWANDNLSSA-N 1 0 292.354 1.503 40 0 CDABRO CC(=O)Nc1nc2nc(C)cc(C)n2[n+]1-c1ccccc1 ZINC000001515375 363031476 /nfs/dbraw/zinc/03/14/76/363031476.db2.gz PDCFYZOYPWBBRD-UHFFFAOYSA-O 1 0 282.327 1.581 40 0 CDABRO CC[NH+](CC)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000001677232 355946911 /nfs/dbraw/zinc/94/69/11/355946911.db2.gz WZUPGPUKEVVBBE-UHFFFAOYSA-N 1 0 296.392 1.563 40 0 CDABRO CN[C@@H](C[NH2+]C)c1cc(OC)c(OC)c(OC)c1 ZINC000019366292 356483059 /nfs/dbraw/zinc/48/30/59/356483059.db2.gz VJQMNTDXOIDVGX-JTQLQIEISA-N 1 0 254.330 1.192 40 0 CDABRO C[C@@H]([NH3+])C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000019079593 356474619 /nfs/dbraw/zinc/47/46/19/356474619.db2.gz KRKQHJGEKMMAOI-GFCCVEGCSA-N 1 0 290.363 1.304 40 0 CDABRO C[NH+]1CCN(CCCNC(=O)/C=C/c2ccccc2)CC1 ZINC000022935130 356625287 /nfs/dbraw/zinc/62/52/87/356625287.db2.gz GOMYALBCCWFILR-CMDGGOBGSA-N 1 0 287.407 1.454 40 0 CDABRO CC(C)N(Cc1ccc2c(c1)OCCO2)C(=O)C[NH3+] ZINC000032113385 356832628 /nfs/dbraw/zinc/83/26/28/356832628.db2.gz QAGAFOSCEDXZEH-UHFFFAOYSA-N 1 0 264.325 1.154 40 0 CDABRO [NH3+]CCCN1C(=O)S[C@@H](Cc2ccc(F)cc2)C1=O ZINC000036636016 356875813 /nfs/dbraw/zinc/87/58/13/356875813.db2.gz ANXQNKJGSZGABK-NSHDSACASA-N 1 0 282.340 1.781 40 0 CDABRO C[N@@H+](CC(=O)[O-])CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072418843 356929862 /nfs/dbraw/zinc/92/98/62/356929862.db2.gz GGCABWKIPXYICX-UHFFFAOYSA-N 1 0 276.380 1.915 40 0 CDABRO CN(C(=O)OCc1ccccc1)[C@H]1CC[N@H+](CCO)C1 ZINC000079410928 356993461 /nfs/dbraw/zinc/99/34/61/356993461.db2.gz LCNXOURDJOISIN-AWEZNQCLSA-N 1 0 278.352 1.322 40 0 CDABRO [NH3+]CCN1CCC[C@H]1CNC(=O)OCc1ccccc1 ZINC000079411357 356993633 /nfs/dbraw/zinc/99/36/33/356993633.db2.gz XVMFEABJNQHHHT-AWEZNQCLSA-N 1 0 277.368 1.336 40 0 CDABRO CC(=O)N(CC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1)C1CC1 ZINC000079418120 356994815 /nfs/dbraw/zinc/99/48/15/356994815.db2.gz MCEKAGARKLCQDI-HNNXBMFYSA-N 1 0 295.427 1.219 40 0 CDABRO C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)[O-])CC1 ZINC000079416044 356995480 /nfs/dbraw/zinc/99/54/80/356995480.db2.gz DJCWCCYXJMAZGL-UHFFFAOYSA-N 1 0 276.380 1.915 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N([C@@H](C)c1cnccn1)C1CC1 ZINC000079435838 356996106 /nfs/dbraw/zinc/99/61/06/356996106.db2.gz GBZLLEWBFWMHGJ-GWCFXTLKSA-N 1 0 262.357 1.512 40 0 CDABRO COc1ccc(S(=O)(=O)N2CCC(C(N)=[NH2+])CC2)cc1 ZINC000083767606 357106877 /nfs/dbraw/zinc/10/68/77/357106877.db2.gz BNNHRPIWAHGPHT-UHFFFAOYSA-N 1 0 297.380 1.032 40 0 CDABRO COC(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000225584049 357274167 /nfs/dbraw/zinc/27/41/67/357274167.db2.gz VJEAXYPEDANVGG-IHRRRGAJSA-N 1 0 288.347 1.283 40 0 CDABRO C[C@H]1CN(C(=O)COc2ccc(Cl)cc2)CC[NH2+]1 ZINC000062664791 357477772 /nfs/dbraw/zinc/47/77/72/357477772.db2.gz WBQCLHCWZXZFBC-JTQLQIEISA-N 1 0 268.744 1.539 40 0 CDABRO CN1c2ncccc2C[N@@H+](CC2CC2)CC[C@H]1CO ZINC000225492996 283267569 /nfs/dbraw/zinc/26/75/69/283267569.db2.gz BSEVBQQMBOEMBB-AWEZNQCLSA-N 1 0 261.369 1.494 40 0 biogenic,in-vitro CDABRO Cc1cc(N2CCO[C@H](c3ccccn3)C2)nc(N)[nH+]1 ZINC000072388047 357831824 /nfs/dbraw/zinc/83/18/24/357831824.db2.gz IKYCIQPZPBIWHE-LBPRGKRZSA-N 1 0 271.324 1.340 40 0 CDABRO [NH3+]C[C@@H](O)COCc1cccc(Cl)c1Cl ZINC000095096235 366431341 /nfs/dbraw/zinc/43/13/41/366431341.db2.gz KFPCJQQYJHKLOJ-MRVPVSSYSA-N 1 0 250.125 1.830 40 0 CDABRO COC(=O)CN1CCC([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000136962231 358763317 /nfs/dbraw/zinc/76/33/17/358763317.db2.gz LJSNQFLNZDRDIQ-CABCVRRESA-N 1 0 296.411 1.171 40 0 CDABRO C[NH+](C)Cc1cncc2c1CCN(C(=O)[C@H]1CCOC1)C2 ZINC000096189461 358715965 /nfs/dbraw/zinc/71/59/65/358715965.db2.gz CSYQNFUVTWODKY-LBPRGKRZSA-N 1 0 289.379 1.064 40 0 CDABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N[C@@H]3C)s1 ZINC000096201475 358718552 /nfs/dbraw/zinc/71/85/52/358718552.db2.gz NAPVLYCFTXXAJB-GFCCVEGCSA-N 1 0 294.420 1.926 40 0 CDABRO COC[C@@H]1CC2(CN1C(=O)c1cscn1)CC[NH2+]CC2 ZINC000096217037 358721475 /nfs/dbraw/zinc/72/14/75/358721475.db2.gz FVQIFBXYJIYURZ-NSHDSACASA-N 1 0 295.408 1.374 40 0 CDABRO CO[C@@H]1CC[N@H+](Cc2ccc(C)o2)[C@H]2CCO[C@@H]21 ZINC000096218797 358721804 /nfs/dbraw/zinc/72/18/04/358721804.db2.gz UVDHSLAJOFDNTH-MJBXVCDLSA-N 1 0 251.326 1.966 40 0 CDABRO Cc1cccc(CN2C(=O)CCC23CC[NH2+]CC3)n1 ZINC000096228286 358723535 /nfs/dbraw/zinc/72/35/35/358723535.db2.gz REAFCNWMSKWEJI-UHFFFAOYSA-N 1 0 259.353 1.635 40 0 CDABRO CC(C)CNS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000011849329 358923154 /nfs/dbraw/zinc/92/31/54/358923154.db2.gz LQESQPAROISWDT-UHFFFAOYSA-N 1 0 256.371 1.122 40 0 CDABRO CCc1ccc(CN2CC[C@@H](C[NH3+])S2(=O)=O)cc1 ZINC000222538882 359351940 /nfs/dbraw/zinc/35/19/40/359351940.db2.gz ADYHZFSBVAKXDR-ZDUSSCGKSA-N 1 0 268.382 1.112 40 0 CDABRO CC(C)(C)OC(=O)N1CC[NH+](CCCC(N)=[NH2+])CC1 ZINC000026896758 359453878 /nfs/dbraw/zinc/45/38/78/359453878.db2.gz SJQRZYCKXUIFBA-UHFFFAOYSA-N 1 0 270.377 1.255 40 0 CDABRO CC(=O)Nc1cc(N2CC[NH+](C)CC2)c(N)cc1Cl ZINC000045891714 360034705 /nfs/dbraw/zinc/03/47/05/360034705.db2.gz CUTCSSXRBWNQLV-UHFFFAOYSA-N 1 0 282.775 1.632 40 0 CDABRO Nc1c[nH+]c2ccc(I)cn12 ZINC000238602411 360470163 /nfs/dbraw/zinc/47/01/63/360470163.db2.gz BGWAUROVCUOSKS-UHFFFAOYSA-N 1 0 259.050 1.521 40 0 CDABRO CCn1cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)c(C)n1 ZINC000575410776 364759958 /nfs/dbraw/zinc/75/99/58/364759958.db2.gz GUBDURSYIGNNGO-SNVBAGLBSA-N 1 0 261.329 1.728 40 0 CDABRO COCC[N@@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000075927066 366927677 /nfs/dbraw/zinc/92/76/77/366927677.db2.gz ASLVMIDLLVDEDE-SECBINFHSA-N 1 0 268.279 1.023 40 0 CDABRO CN(CC[NH3+])C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000054417352 367214943 /nfs/dbraw/zinc/21/49/43/367214943.db2.gz OKMQAKQQWOZPIR-KGLIPLIRSA-N 1 0 262.353 1.571 40 0 CDABRO Cn1cnc2c1[C@@H](COCc1cccnc1)C[NH2+]C2 ZINC000306134650 367314855 /nfs/dbraw/zinc/31/48/55/367314855.db2.gz NUKOYRZHHXJUAA-GFCCVEGCSA-N 1 0 258.325 1.219 40 0 CDABRO CCOC[C@H]([NH2+]Cc1nnc2n1CCCC2)C(C)C ZINC000233781421 189820188 /nfs/dbraw/zinc/82/01/88/189820188.db2.gz HJPBZUMYQQUWSG-LBPRGKRZSA-N 1 0 266.389 1.765 40 0 CDABRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccnc(C2CC2)c1 ZINC000333344095 205236881 /nfs/dbraw/zinc/23/68/81/205236881.db2.gz YUPXSDMHLIOWJR-CYBMUJFWSA-N 1 0 259.353 1.829 40 0 CDABRO CN[C@@H](C[NH3+])c1cc(Br)ccc1OC ZINC000050269944 373067203 /nfs/dbraw/zinc/06/72/03/373067203.db2.gz JELDZDUBCPGZNM-VIFPVBQESA-N 1 0 259.147 1.677 40 0 CDABRO C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)C)CCN2C(C)(C)C1 ZINC000253395289 373683265 /nfs/dbraw/zinc/68/32/65/373683265.db2.gz BTIQNZSGAIHMSH-GFCCVEGCSA-N 1 0 267.417 1.269 40 0 biogenic,in-vitro CDABRO COC1CC[NH+](CCNC(=O)Cc2cccc(O)c2)CC1 ZINC000080054386 373705038 /nfs/dbraw/zinc/70/50/38/373705038.db2.gz FLZFCQIULUPAHC-UHFFFAOYSA-N 1 0 292.379 1.162 40 0 CDABRO O=C(CC1CC[NH2+]CC1)NCc1cccc(-n2cncn2)c1 ZINC000225488092 374495937 /nfs/dbraw/zinc/49/59/37/374495937.db2.gz KUSJENQWHNBFLB-UHFFFAOYSA-N 1 0 299.378 1.273 40 0 CDABRO CC[C@]1(C)CN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CCO1 ZINC000225504049 374581234 /nfs/dbraw/zinc/58/12/34/374581234.db2.gz UHLHHHMWKJLOOF-KCQAQPDRSA-N 1 0 283.416 1.680 40 0 CDABRO CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000080529636 374955110 /nfs/dbraw/zinc/95/51/10/374955110.db2.gz GONYOMOXGXABBV-STQMWFEESA-N 1 0 299.415 1.310 40 0 CDABRO CC[NH+]1CCC(N2CCO[C@H](c3nc(C)cn3C)C2)CC1 ZINC000257201749 190010617 /nfs/dbraw/zinc/01/06/17/190010617.db2.gz AIXBAFQFDUWMJH-HNNXBMFYSA-N 1 0 292.427 1.586 40 0 CDABRO Cn1cc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257210210 190012349 /nfs/dbraw/zinc/01/23/49/190012349.db2.gz BTQWUVZYPKCXSJ-MRXNPFEDSA-N 1 0 270.380 1.909 40 0 CDABRO COC(=O)c1cc2c(nc1N1CCCC1)CC[NH2+]CC2 ZINC000306130628 284536896 /nfs/dbraw/zinc/53/68/96/284536896.db2.gz JLLLMQPZCROXFN-UHFFFAOYSA-N 1 0 275.352 1.157 40 0 CDABRO CNC(=O)[C@H]1CN(C)CC[N@H+](CCCc2ccccc2)C1 ZINC000257241325 190018255 /nfs/dbraw/zinc/01/82/55/190018255.db2.gz HXQQXIBNEZRRTI-INIZCTEOSA-N 1 0 289.423 1.229 40 0 CDABRO O=C(C[N@@H+]1CC[C@H](c2cc[nH]n2)C1)N1CCCCC1 ZINC000257241691 190018571 /nfs/dbraw/zinc/01/85/71/190018571.db2.gz HZDULNDSBHJQJT-LBPRGKRZSA-N 1 0 262.357 1.212 40 0 CDABRO C[C@H]1CN(c2cccc(C3CC[NH2+]CC3)n2)C(=O)O1 ZINC000257248114 190020024 /nfs/dbraw/zinc/02/00/24/190020024.db2.gz JCEXNBGXCQGSSH-JTQLQIEISA-N 1 0 261.325 1.894 40 0 CDABRO [NH3+]Cc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)c1 ZINC000257261656 190022088 /nfs/dbraw/zinc/02/20/88/190022088.db2.gz LIHMYMBULJOZHA-AVGNSLFASA-N 1 0 261.325 1.252 40 0 CDABRO COC[C@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218249817 375810167 /nfs/dbraw/zinc/81/01/67/375810167.db2.gz LHCVXGXKSRWKQN-HZSPNIEDSA-N 1 0 283.393 1.097 40 0 CDABRO CN(C)c1ncc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000257285265 190027195 /nfs/dbraw/zinc/02/71/95/190027195.db2.gz PGINAUOGNGNXHE-MRXNPFEDSA-N 1 0 297.406 1.689 40 0 CDABRO CCc1ccc([C@H]2[C@H](S(C)(=O)=O)[C@@]2(C[NH3+])COC)cc1 ZINC000218451823 375838768 /nfs/dbraw/zinc/83/87/68/375838768.db2.gz FOVIHOKEFKTLNW-KKUMJFAQSA-N 1 0 297.420 1.351 40 0 CDABRO Cc1cc(-c2cncc(C[C@@H]3CC[N@@H+](C)C3)n2)n[nH]1 ZINC000257343547 190037784 /nfs/dbraw/zinc/03/77/84/190037784.db2.gz ZTLCUEQNSHJCRL-NSHDSACASA-N 1 0 257.341 1.669 40 0 CDABRO CCN(CC)C(=O)COc1ccc(CC[NH3+])cc1 ZINC000002599321 169814996 /nfs/dbraw/zinc/81/49/96/169814996.db2.gz RULDHHMNJXAYGW-UHFFFAOYSA-N 1 0 250.342 1.435 40 0 CDABRO CCS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000096245390 256832348 /nfs/dbraw/zinc/83/23/48/256832348.db2.gz DYIFVZMJMVTUJL-GASCZTMLSA-N 1 0 294.420 1.400 40 0 CDABRO COc1ccc2cnn(C[C@H]3CCC[NH2+]3)c(=O)c2c1OC ZINC000096511194 390530616 /nfs/dbraw/zinc/53/06/16/390530616.db2.gz NFPATYUUYZMOGE-LLVKDONJSA-N 1 0 289.335 1.166 40 0 CDABRO O=C(Nc1ccccc1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000072208482 390617527 /nfs/dbraw/zinc/61/75/27/390617527.db2.gz YPRKVNQWPOVYQV-LLVKDONJSA-N 1 0 257.297 1.065 40 0 CDABRO C[NH+]1CCN(c2ncccc2[C@@H]2CCCN2C=O)CC1 ZINC000072216569 390622089 /nfs/dbraw/zinc/62/20/89/390622089.db2.gz CUADYKQTUIGDCZ-AWEZNQCLSA-N 1 0 274.368 1.127 40 0 CDABRO Cc1cc([C@H](O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000072222537 390623024 /nfs/dbraw/zinc/62/30/24/390623024.db2.gz LSBMCQMJSRTNHP-MRXNPFEDSA-N 1 0 283.375 1.881 40 0 CDABRO [NH3+]CCCc1nc(C2=Cc3ccccc3OC2)no1 ZINC000062716591 391562198 /nfs/dbraw/zinc/56/21/98/391562198.db2.gz NIOMKYXDYXUCDQ-UHFFFAOYSA-N 1 0 257.293 1.894 40 0 CDABRO CCOC(=O)Cn1nc(C)c([C@@H]2CCC[NH2+]2)c1C ZINC000217458319 130760813 /nfs/dbraw/zinc/76/08/13/130760813.db2.gz CRMFBRALCFVUGI-NSHDSACASA-N 1 0 251.330 1.488 40 0 CDABRO CNc1ncc(C[NH2+]CCc2ccccc2F)cn1 ZINC000062717456 392803883 /nfs/dbraw/zinc/80/38/83/392803883.db2.gz KIPQYZKNCWSOPO-UHFFFAOYSA-N 1 0 260.316 1.990 40 0 CDABRO COC(C[N@@H+]1CCC[C@H]1c1cnn(C)c1C)OC ZINC000162171638 292079082 /nfs/dbraw/zinc/07/90/82/292079082.db2.gz WTOVRXXFIRGPHY-LBPRGKRZSA-N 1 0 253.346 1.484 40 0 CDABRO C[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000005817159 170142947 /nfs/dbraw/zinc/14/29/47/170142947.db2.gz DQWLQCJNRYEJLV-UHFFFAOYSA-N 1 0 250.342 1.700 40 0 CDABRO COc1ccc(CC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000020482533 171223185 /nfs/dbraw/zinc/22/31/85/171223185.db2.gz RJLLHSMWFFKCCR-UHFFFAOYSA-N 1 0 276.380 1.840 40 0 CDABRO CCOC(=O)C[C@H]([NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000026896493 171502453 /nfs/dbraw/zinc/50/24/53/171502453.db2.gz GGMFEDHKWJGYGA-QWRGUYRKSA-N 1 0 286.372 1.524 40 0 CDABRO COC(=O)[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000035622885 172304483 /nfs/dbraw/zinc/30/44/83/172304483.db2.gz QHQABJVSGUGKSW-QWRGUYRKSA-N 1 0 286.372 1.395 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccccc1 ZINC000039975617 174180111 /nfs/dbraw/zinc/18/01/11/174180111.db2.gz JJRIQODIVOXHFY-ZDUSSCGKSA-N 1 0 262.353 1.666 40 0 CDABRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(O)C[NH3+])C1 ZINC000072208059 176342685 /nfs/dbraw/zinc/34/26/85/176342685.db2.gz JIBIFMUBOQYMBV-GWCFXTLKSA-N 1 0 258.362 1.343 40 0 CDABRO OCc1cc(CC2([NH2+]CC3CCCCC3)COC2)no1 ZINC000072321932 176369332 /nfs/dbraw/zinc/36/93/32/176369332.db2.gz XYEWVGFMWUYCTP-UHFFFAOYSA-N 1 0 280.368 1.648 40 0 biogenic,in-vitro CDABRO CC(=O)N1CC[NH2+]C[C@@H](Cc2cnc3[nH]ccc3c2)C1 ZINC000072344406 176373305 /nfs/dbraw/zinc/37/33/05/176373305.db2.gz UICBGBHXLLBNPW-CYBMUJFWSA-N 1 0 272.352 1.173 40 0 CDABRO CC[C@H]1COC(C)(C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000652760105 424031165 /nfs/dbraw/zinc/03/11/65/424031165.db2.gz TYPUFMAWVZQINL-NWDGAFQWSA-N 1 0 254.374 1.497 40 0 CDABRO CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)NC2CC2)CCCCC1 ZINC000096113081 265329674 /nfs/dbraw/zinc/32/96/74/265329674.db2.gz MHBKKFKAKAUFKK-ZDUSSCGKSA-N 1 0 293.411 1.178 40 0 biogenic,in-vitro CDABRO O=C1O[C@@]2(CN1c1cccc(Cl)c1)C[NH2+]CCOC2 ZINC000257205248 275027204 /nfs/dbraw/zinc/02/72/04/275027204.db2.gz AYEUNUYAHVGCQL-CYBMUJFWSA-N 1 0 282.727 1.655 40 0 CDABRO CC(=O)N(C[C@H]1CCCN1C(=O)[C@@H]([NH3+])C(C)(C)C)C(C)C ZINC000079418011 275758178 /nfs/dbraw/zinc/75/81/78/275758178.db2.gz DWQFQTUMDQLXBQ-ZIAGYGMSSA-N 1 0 297.443 1.608 40 0 CDABRO CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019498763 276202292 /nfs/dbraw/zinc/20/22/92/276202292.db2.gz RRSLORZVGJFWST-GFCCVEGCSA-N 1 0 288.395 1.581 40 0 CDABRO COC[C@H]1CN(C(C)=O)CC12CC[NH+](CC1CCC1)CC2 ZINC000247816942 277606844 /nfs/dbraw/zinc/60/68/44/277606844.db2.gz BQWNRWNQGBPBDT-MRXNPFEDSA-N 1 0 294.439 1.993 40 0 CDABRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000125118076 279339142 /nfs/dbraw/zinc/33/91/42/279339142.db2.gz HTSJNNVPSBIAJK-UPJWGTAASA-N 1 0 256.390 1.382 40 0 CDABRO CCOC[C@H]1CCOC12C[NH+](C1CCOCC1)C2 ZINC000253382457 279751750 /nfs/dbraw/zinc/75/17/50/279751750.db2.gz IGNDOWFNGNDRID-GFCCVEGCSA-N 1 0 255.358 1.293 40 0 CDABRO Cc1ccc(-n2ncc3c2nc[nH+]c3NN)cc1C ZINC000040217210 280749020 /nfs/dbraw/zinc/74/90/20/280749020.db2.gz OQLOXMOEQUPSJM-UHFFFAOYSA-N 1 0 254.297 1.718 40 0 CDABRO CO[C@H]1CCCOC12CCN(C(=O)C1CC[NH2+]CC1)CC2 ZINC000257326521 294522611 /nfs/dbraw/zinc/52/26/11/294522611.db2.gz WXNIPBYRGLPMDW-AWEZNQCLSA-N 1 0 296.411 1.173 40 0 CDABRO c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@@H]2NC[C@H]1CCCO1 ZINC000096062808 304858950 /nfs/dbraw/zinc/85/89/50/304858950.db2.gz ZHPMTRBAPZZNGH-IPOQPSJVSA-N 1 0 258.365 1.813 40 0 CDABRO CCNc1ncc(C[NH2+]C[C@H](O)c2ccccc2)cn1 ZINC000062717547 327914877 /nfs/dbraw/zinc/91/48/77/327914877.db2.gz YHDSOXZHKCHIJM-AWEZNQCLSA-N 1 0 272.352 1.732 40 0 CDABRO Cc1cc(Cl)ccc1N1CC[C@H](C[NH3+])S1(=O)=O ZINC000260775243 328068941 /nfs/dbraw/zinc/06/89/41/328068941.db2.gz PVKIJAARFWIPEU-SNVBAGLBSA-N 1 0 274.773 1.516 40 0 CDABRO c1c[nH]c(C2CC[NH+](Cc3cnc4n3CCC4)CC2)n1 ZINC000667564393 483333769 /nfs/dbraw/zinc/33/37/69/483333769.db2.gz KHISSBPFOZKLOW-UHFFFAOYSA-N 1 0 271.368 1.932 40 0 CDABRO O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000062116207 526394524 /nfs/dbraw/zinc/39/45/24/526394524.db2.gz GEWZIQDCJNBGOI-LBPRGKRZSA-N 1 0 257.337 1.436 40 0 CDABRO CCOC(=O)c1cc(NC)ccc1N1CC[NH+](C)CC1 ZINC000226277877 535679460 /nfs/dbraw/zinc/67/94/60/535679460.db2.gz VLHOZDAVOJWBLR-UHFFFAOYSA-N 1 0 277.368 1.657 40 0 CDABRO COC(=O)c1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000074713394 567903716 /nfs/dbraw/zinc/90/37/16/567903716.db2.gz XKHAOFCZMSJSSH-UHFFFAOYSA-N 1 0 276.336 1.754 40 0 CDABRO C[N@@H+]1CCCC[C@H]1C1CCN(C(=O)Cn2cncn2)CC1 ZINC000019746597 342540530 /nfs/dbraw/zinc/54/05/30/342540530.db2.gz YOZWZCHKCVSZBE-AWEZNQCLSA-N 1 0 291.399 1.001 40 0 CDABRO O=C(c1ccoc1)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053810 185075392 /nfs/dbraw/zinc/07/53/92/185075392.db2.gz BVBUTKPZTQQPTJ-GASCZTMLSA-N 1 0 297.358 1.879 40 0 CDABRO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000096057467 185077481 /nfs/dbraw/zinc/07/74/81/185077481.db2.gz DWFSVMPAEBHBBL-MGPQQGTHSA-N 1 0 278.352 1.490 40 0 CDABRO Cc1noc(C[C@@H]2COC[C@H]3C[N@H+](CC4CC4)C[C@H]32)n1 ZINC000096057272 185077773 /nfs/dbraw/zinc/07/77/73/185077773.db2.gz PTHWAULPIWHKGA-MCIONIFRSA-N 1 0 277.368 1.525 40 0 CDABRO c1cc(-c2nnn3c2CO[C@H](C[NH2+]CC2CC2)C3)cs1 ZINC000096061059 185082242 /nfs/dbraw/zinc/08/22/42/185082242.db2.gz KUEIHHOXFIXVGM-GFCCVEGCSA-N 1 0 290.392 1.905 40 0 CDABRO Cc1ccsc1C[N@@H+]1C[C@@H]2CN(C)CCO[C@@H]2C1 ZINC000096107937 185099306 /nfs/dbraw/zinc/09/93/06/185099306.db2.gz DAOYOOKIJCIVBU-QWHCGFSZSA-N 1 0 266.410 1.819 40 0 CDABRO C[NH+](C)C[C@]12COC[C@H]1CN(Cc1cccs1)C2 ZINC000096108237 185100276 /nfs/dbraw/zinc/10/02/76/185100276.db2.gz XAQWLYKKNHROCO-OCCSQVGLSA-N 1 0 266.410 1.758 40 0 CDABRO O[C@]1(COc2ccc(F)cc2)COCC[N@@H+](C2CCC2)C1 ZINC000585284069 342258513 /nfs/dbraw/zinc/25/85/13/342258513.db2.gz UQASGQMKJPAYPA-INIZCTEOSA-N 1 0 295.354 1.820 40 0 CDABRO C[NH+](C)C/C=C/C(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 ZINC000585290471 342258805 /nfs/dbraw/zinc/25/88/05/342258805.db2.gz WOEZFSBDZDSACL-KOHVRMMGSA-N 1 0 266.385 1.256 40 0 CDABRO CCC(CC)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000081780299 362214135 /nfs/dbraw/zinc/21/41/35/362214135.db2.gz LAFRPPRFSCSVEX-CQSZACIVSA-N 1 0 270.417 1.632 40 0 CDABRO Cn1ccnc1C[N@@H+]1CCCC[C@]2(C)NC(=O)CC[C@H]12 ZINC000257209872 362578299 /nfs/dbraw/zinc/57/82/99/362578299.db2.gz BSFNDIKGAKSMFS-WFASDCNBSA-N 1 0 276.384 1.443 40 0 CDABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257321500 362585649 /nfs/dbraw/zinc/58/56/49/362585649.db2.gz WBXXKIJWURYMFE-LLVKDONJSA-N 1 0 257.341 1.984 40 0 CDABRO CCn1nc([C@@H](O)C2(C[NH3+])CCOCC2)cc1C ZINC000085395773 179049160 /nfs/dbraw/zinc/04/91/60/179049160.db2.gz HZHWGNAUHBMXMO-GFCCVEGCSA-N 1 0 253.346 1.000 40 0 CDABRO OC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@H]1O ZINC000085468333 179073433 /nfs/dbraw/zinc/07/34/33/179073433.db2.gz OLNZAZVQTPDZEU-UFGOTCBOSA-N 1 0 257.280 1.186 40 0 CDABRO O=C(C[NH+]1CCCCCC1)NC[C@@H]1Cc2ccccc2O1 ZINC000051092896 365818441 /nfs/dbraw/zinc/81/84/41/365818441.db2.gz VWSUNIKXPKBJKQ-HNNXBMFYSA-N 1 0 288.391 1.982 40 0 CDABRO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCOc2ccccc21 ZINC000333606555 363055464 /nfs/dbraw/zinc/05/54/64/363055464.db2.gz VZLKVUHNEMVYLH-YRGRVCCFSA-N 1 0 274.364 1.524 40 0 CDABRO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333756640 363135134 /nfs/dbraw/zinc/13/51/34/363135134.db2.gz ZVQKCAHMLMCMEN-RRFJBIMHSA-N 1 0 297.443 1.975 40 0 CDABRO C[C@@H]([NH3+])C(=O)N(C)CCCOc1ccc(Cl)cc1 ZINC000154776802 188161272 /nfs/dbraw/zinc/16/12/72/188161272.db2.gz IJSZBVZYBLGYGY-SNVBAGLBSA-N 1 0 270.760 1.915 40 0 CDABRO CSCC[C@H]([NH3+])C(=O)N1CCc2cc(F)ccc2C1 ZINC000158163203 188361076 /nfs/dbraw/zinc/36/10/76/188361076.db2.gz AIMZZDAVNUJFNB-ZDUSSCGKSA-N 1 0 282.384 1.791 40 0 CDABRO CCOC(=O)[C@@H]1[C@@H]([NH+](C)C)C(C)(C)[C@H]1C(=O)OCC ZINC000005340733 356052663 /nfs/dbraw/zinc/05/26/63/356052663.db2.gz WZCOQWVIQBLQKQ-HBNTYKKESA-N 1 0 271.357 1.315 40 0 CDABRO CC1CC[NH+](CC(=O)N[C@@H](CO)c2ccccc2)CC1 ZINC000225560376 356162624 /nfs/dbraw/zinc/16/26/24/356162624.db2.gz FFKWMUOFZJMDHQ-HNNXBMFYSA-N 1 0 276.380 1.568 40 0 CDABRO C[C@H](c1nnnn1C1CCCCC1)N1CCN(C)CC1 ZINC000020098530 356524924 /nfs/dbraw/zinc/52/49/24/356524924.db2.gz CNMNUQSFECXAJE-GFCCVEGCSA-N 1 0 278.404 1.487 40 0 CDABRO CC[C@@H](OC[C@H](O)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000022030803 356598064 /nfs/dbraw/zinc/59/80/64/356598064.db2.gz CPMNUFSZWYXFOX-IAGOWNOFSA-N 1 0 292.423 1.763 40 0 CDABRO Cn1cc2c(n1)nc(N1CCC([NH3+])CC1)cc2C(F)F ZINC000012398923 356680236 /nfs/dbraw/zinc/68/02/36/356680236.db2.gz WZLWNLFTPABRPY-UHFFFAOYSA-N 1 0 281.310 1.833 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000079409562 356992624 /nfs/dbraw/zinc/99/26/24/356992624.db2.gz BLOADHCXNPSCBN-NWDGAFQWSA-N 1 0 299.415 1.582 40 0 CDABRO C[C@H]([NH3+])C(=O)N(Cc1ccnc(Br)c1)C1CC1 ZINC000079421634 356996459 /nfs/dbraw/zinc/99/64/59/356996459.db2.gz BQXZLGJYPCAVTK-QMMMGPOBSA-N 1 0 298.184 1.682 40 0 CDABRO C[NH2+]CCCC(=O)NCCc1c[nH]c2ccccc12 ZINC000040852604 357010666 /nfs/dbraw/zinc/01/06/66/357010666.db2.gz MTMNZXMWSIOYCD-UHFFFAOYSA-N 1 0 259.353 1.826 40 0 CDABRO COc1ccc(CC(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000061030970 357448249 /nfs/dbraw/zinc/44/82/49/357448249.db2.gz XKYQJTAESZOCFL-UHFFFAOYSA-N 1 0 292.379 1.457 40 0 CDABRO CCNc1ncc(C[NH2+]CCCOc2ccccn2)cn1 ZINC000062717583 358771271 /nfs/dbraw/zinc/77/12/71/358771271.db2.gz RGFSCLMMFFCRJD-UHFFFAOYSA-N 1 0 287.367 1.862 40 0 CDABRO CCO[C@H]1C[N@H+](CC2CCOCC2)[C@@H]2CCCO[C@@H]21 ZINC000096057443 358707200 /nfs/dbraw/zinc/70/72/00/358707200.db2.gz IGLRSKVNTAWVMP-ILXRZTDVSA-N 1 0 269.385 1.681 40 0 CDABRO c1cc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)co1 ZINC000096056325 358707316 /nfs/dbraw/zinc/70/73/16/358707316.db2.gz FFLKAVBGSXBNGQ-HRCADAONSA-N 1 0 292.379 1.344 40 0 CDABRO COCC[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 ZINC000096186442 358713725 /nfs/dbraw/zinc/71/37/25/358713725.db2.gz QZYBFGBMIHJTMQ-GJZGRUSLSA-N 1 0 274.364 1.903 40 0 CDABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)N(C)C)CC2 ZINC000096206118 358720335 /nfs/dbraw/zinc/72/03/35/358720335.db2.gz IRDXQWHATCQTFW-GFCCVEGCSA-N 1 0 269.389 1.101 40 0 CDABRO O=C(N[C@@H]1COCCC12CC[NH+](C1CCC1)CC2)C1CC1 ZINC000096216947 358720816 /nfs/dbraw/zinc/72/08/16/358720816.db2.gz AEHLRIDCEXQQPW-OAHLLOKOSA-N 1 0 292.423 1.936 40 0 CDABRO C[NH+](C)CCNC(=O)CCn1ncc2ccccc21 ZINC000040768967 260519329 /nfs/dbraw/zinc/51/93/29/260519329.db2.gz NEILRAWJQONZEA-UHFFFAOYSA-N 1 0 260.341 1.104 40 0 CDABRO COCC[N@@H+]1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107712076 359026612 /nfs/dbraw/zinc/02/66/12/359026612.db2.gz QASASMSFTLZCOM-CVEARBPZSA-N 1 0 283.412 1.931 40 0 CDABRO COCCNC(=O)CC[NH2+]C1C[C@H](C)C[C@H](C)C1 ZINC000097229299 360932528 /nfs/dbraw/zinc/93/25/28/360932528.db2.gz LMTILIARBQGAJC-FUNVUKJBSA-N 1 0 256.390 1.553 40 0 CDABRO C[NH+](C)CCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000132497558 361241127 /nfs/dbraw/zinc/24/11/27/361241127.db2.gz WLFGKBDYYPAYFD-UHFFFAOYSA-N 1 0 276.380 1.622 40 0 CDABRO COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000000490122 361449120 /nfs/dbraw/zinc/44/91/20/361449120.db2.gz OROGSEYTTFOCAN-QDQNSEEQSA-N 1 0 299.370 1.501 40 0 in-vitro CDABRO CC[NH+](CC)CCNC(=O)c1ccc2nc(N)sc2c1 ZINC000001708783 364431039 /nfs/dbraw/zinc/43/10/39/364431039.db2.gz PKYOPDDJTGQJKG-UHFFFAOYSA-N 1 0 292.408 1.950 40 0 CDABRO O=C(NCCO)c1sc2ccccc2c1[C@@H]1CC[NH2+]C1 ZINC000257249414 283960976 /nfs/dbraw/zinc/96/09/76/283960976.db2.gz JIGKYXGLICZQPN-SNVBAGLBSA-N 1 0 290.388 1.700 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@@]1(C[NH3+])COC ZINC000218417388 367922431 /nfs/dbraw/zinc/92/24/31/367922431.db2.gz JYQUWIOREHRYDE-QLFBSQMISA-N 1 0 297.420 1.487 40 0 CDABRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(-c2ccccn2)n[nH]1 ZINC000012116534 284244640 /nfs/dbraw/zinc/24/46/40/284244640.db2.gz YZTCBDVMHHFNTC-HNNXBMFYSA-N 1 0 297.362 1.296 40 0 CDABRO CC[C@H](COc1ccccc1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000225488684 374495710 /nfs/dbraw/zinc/49/57/10/374495710.db2.gz BBEAKQNQUZYKKV-IUODEOHRSA-N 1 0 280.343 1.662 40 0 CDABRO Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1ccccn1)CC2 ZINC000225517900 374647431 /nfs/dbraw/zinc/64/74/31/374647431.db2.gz VRPRQIDFPIDAPO-JTQLQIEISA-N 1 0 256.309 1.857 40 0 CDABRO C[NH+](C)CCNC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226749309 375394720 /nfs/dbraw/zinc/39/47/20/375394720.db2.gz UGIDEIYLDPVASO-HNNXBMFYSA-N 1 0 293.342 1.387 40 0 CDABRO CCn1cc(C[NH2+]Cc2cnn(CC(F)F)c2)c(C)n1 ZINC000256052576 190004258 /nfs/dbraw/zinc/00/42/58/190004258.db2.gz NWXDBFNMMRWLCS-UHFFFAOYSA-N 1 0 283.326 1.963 40 0 CDABRO Cc1ccccc1-c1cc(NC(=O)[C@H]2C[NH2+]CCO2)n[nH]1 ZINC000257197928 190010284 /nfs/dbraw/zinc/01/02/84/190010284.db2.gz NOXNCKBVQUXONU-CYBMUJFWSA-N 1 0 286.335 1.312 40 0 CDABRO Cc1cc(-c2cncn2C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257214307 190012835 /nfs/dbraw/zinc/01/28/35/190012835.db2.gz CLNAYNFAYVBNDI-GFCCVEGCSA-N 1 0 271.368 1.995 40 0 CDABRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1)N1CCCC1 ZINC000257213469 190013230 /nfs/dbraw/zinc/01/32/30/190013230.db2.gz CHSCYKQVYPJYTO-HNNXBMFYSA-N 1 0 273.380 1.255 40 0 CDABRO Cn1nccc1C[NH+]1CCC(c2ccn3nccc3n2)CC1 ZINC000257232103 190016998 /nfs/dbraw/zinc/01/69/98/190016998.db2.gz GJLJXLQMJDNBSZ-UHFFFAOYSA-N 1 0 296.378 1.842 40 0 CDABRO Cc1cc(-c2cc(C[C@H]3CCC[NH2+]C3)ncn2)n[nH]1 ZINC000257235340 190017069 /nfs/dbraw/zinc/01/70/69/190017069.db2.gz GXJYDRWNTBUIHP-LLVKDONJSA-N 1 0 257.341 1.717 40 0 CDABRO CN(C)C(=O)c1cc(C[C@@H]2CCC[N@H+](C)CC2)ncn1 ZINC000257244476 190019534 /nfs/dbraw/zinc/01/95/34/190019534.db2.gz ILNFRUDJERQDPT-GFCCVEGCSA-N 1 0 276.384 1.453 40 0 CDABRO O=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CC[NH2+]C1 ZINC000257266573 190023042 /nfs/dbraw/zinc/02/30/42/190023042.db2.gz MDOYQHLNJPRCPU-SNVBAGLBSA-N 1 0 274.299 1.764 40 0 CDABRO COc1cccc(C[C@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@H]23)c1 ZINC000257262146 190022288 /nfs/dbraw/zinc/02/22/88/190022288.db2.gz LKHDDFZLFSFQPY-IIAWOOMASA-N 1 0 288.391 1.681 40 0 CDABRO CN(C)C(=O)[C@@]1(C)CCC[N@H+](Cc2ccncc2)C1 ZINC000257282328 190026319 /nfs/dbraw/zinc/02/63/19/190026319.db2.gz OTHZRAJMPNWNLI-HNNXBMFYSA-N 1 0 261.369 1.772 40 0 CDABRO O=C(c1ccc(F)cc1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257285727 190026883 /nfs/dbraw/zinc/02/68/83/190026883.db2.gz PIMURSCRKKFRKX-ZIAGYGMSSA-N 1 0 278.327 1.107 40 0 CDABRO C[NH+](C)CCNC(=O)c1ccc(-c2cncs2)nc1 ZINC000257275674 190024799 /nfs/dbraw/zinc/02/47/99/190024799.db2.gz NQKCIGOKRCFWQQ-UHFFFAOYSA-N 1 0 276.365 1.497 40 0 CDABRO C[N@@H+]1CCCN(Cc2ccnc([C@@]3(C)CCCO3)n2)CC1 ZINC000257319284 190033241 /nfs/dbraw/zinc/03/32/41/190033241.db2.gz VRSRGKHNLBSTAU-MRXNPFEDSA-N 1 0 290.411 1.640 40 0 CDABRO Cc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)s1 ZINC000330531530 376248572 /nfs/dbraw/zinc/24/85/72/376248572.db2.gz MRHLBWSZXVONMU-UHFFFAOYSA-N 1 0 289.422 1.086 40 0 CDABRO CC(C)C[NH2+]C1(Cc2cc(CN(C)C)on2)COC1 ZINC000067897801 377285798 /nfs/dbraw/zinc/28/57/98/377285798.db2.gz XBASEFVFRBITOS-UHFFFAOYSA-N 1 0 267.373 1.293 40 0 biogenic,in-vitro CDABRO O=C(c1cscn1)N1CCC2(C1)CC[NH2+]CC2 ZINC000257697571 284761358 /nfs/dbraw/zinc/76/13/58/284761358.db2.gz PGABQOSUXZJUSB-UHFFFAOYSA-N 1 0 251.355 1.359 40 0 CDABRO [NH3+]CCN1C(=O)O[C@@H](c2cccc(Cl)c2)C1=O ZINC000095081145 184937205 /nfs/dbraw/zinc/93/72/05/184937205.db2.gz LXMHVXUZRHYEHZ-VIFPVBQESA-N 1 0 254.673 1.319 40 0 CDABRO CC(C)c1nc2c(c(=O)[nH]1)CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000019453737 390228198 /nfs/dbraw/zinc/22/81/98/390228198.db2.gz WNWMXYAQXOHEMV-LBPRGKRZSA-N 1 0 291.395 1.330 40 0 CDABRO [NH3+][C@H]1CCN(c2cc(-c3ccc(F)cc3)ncn2)C1 ZINC000096516868 390532146 /nfs/dbraw/zinc/53/21/46/390532146.db2.gz ZMSBQVHAKUEVHD-LBPRGKRZSA-N 1 0 258.300 1.820 40 0 CDABRO COCC[NH2+]Cc1cc(-c2cccs2)nn1C ZINC000072226270 390625732 /nfs/dbraw/zinc/62/57/32/390625732.db2.gz XTXFRGCYUPEZBP-UHFFFAOYSA-N 1 0 251.355 1.885 40 0 CDABRO CC[C@](O)(C[NH3+])[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072208029 390616366 /nfs/dbraw/zinc/61/63/66/390616366.db2.gz YMELRIJWLBJZQJ-RISCZKNCSA-N 1 0 272.389 1.876 40 0 CDABRO CC[C@@](C)([NH2+]CCn1cncn1)c1nccs1 ZINC000072684987 390896105 /nfs/dbraw/zinc/89/61/05/390896105.db2.gz PZWPRRJZXKUXFV-LLVKDONJSA-N 1 0 251.359 1.650 40 0 CDABRO CCN(CC)c1ncc(C[NH2+][C@@H]2CCCNC2=O)s1 ZINC000019526521 391324395 /nfs/dbraw/zinc/32/43/95/391324395.db2.gz YCJWHIAEUQOGRY-LLVKDONJSA-N 1 0 282.413 1.358 40 0 CDABRO COCCN1CC[N@H+](C[C@H]2CCOC2)Cc2cccnc21 ZINC000247814106 391420790 /nfs/dbraw/zinc/42/07/90/391420790.db2.gz ACFLJYBPHMKKNZ-CQSZACIVSA-N 1 0 291.395 1.387 40 0 CDABRO CC(C)N1CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1=O ZINC000156600172 393175495 /nfs/dbraw/zinc/17/54/95/393175495.db2.gz XQELTOUHAUQFKC-ZDUSSCGKSA-N 1 0 282.384 1.271 40 0 CDABRO COc1ccc(CCC(=O)NCCC[NH+](C)C)cc1 ZINC000006125820 170178130 /nfs/dbraw/zinc/17/81/30/170178130.db2.gz WUERICYUHCXCQP-UHFFFAOYSA-N 1 0 264.369 1.696 40 0 CDABRO COC(=O)c1ccc(C)c(NC(=S)NCC[NH+](C)C)c1 ZINC000007560773 170291038 /nfs/dbraw/zinc/29/10/38/170291038.db2.gz WWCNPFPIURXCMV-UHFFFAOYSA-N 1 0 295.408 1.630 40 0 CDABRO O=C(Nc1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000019437446 170800718 /nfs/dbraw/zinc/80/07/18/170800718.db2.gz YFMRGECLHPKXOQ-UHFFFAOYSA-N 1 0 262.309 1.396 40 0 CDABRO COc1ccc(CCC(=O)NCCC[NH+](C)C)cc1OC ZINC000020458889 171209141 /nfs/dbraw/zinc/20/91/41/171209141.db2.gz OKTUIFBATYDOIK-UHFFFAOYSA-N 1 0 294.395 1.704 40 0 CDABRO CC[C@](O)(C[NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072208115 176342718 /nfs/dbraw/zinc/34/27/18/176342718.db2.gz VIIOAZCDOSYZPE-AWEZNQCLSA-N 1 0 272.389 1.733 40 0 CDABRO Cc1snnc1C(=O)N[C@@H]1CCCC[C@H]1C[NH+](C)C ZINC000072246218 176350187 /nfs/dbraw/zinc/35/01/87/176350187.db2.gz KWWXAXMBKQLQLX-WDEREUQCSA-N 1 0 282.413 1.697 40 0 CDABRO Cc1nc([C@@H]2CCC[N@H+](C)C2)ncc1C(=O)N(C)C ZINC000072370067 176384310 /nfs/dbraw/zinc/38/43/10/176384310.db2.gz SMKVSZIJBJFFBH-LLVKDONJSA-N 1 0 262.357 1.296 40 0 CDABRO Cc1nccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 ZINC000072397391 176394374 /nfs/dbraw/zinc/39/43/74/176394374.db2.gz IGHIAKHQLAEJBX-KGLIPLIRSA-N 1 0 296.374 1.566 40 0 CDABRO COc1ccc(C[NH2+][C@@H]2CCC(=O)NC2)c(Cl)c1OC ZINC000078605085 177359301 /nfs/dbraw/zinc/35/93/01/177359301.db2.gz AXJCCUXNPHYZPO-SNVBAGLBSA-N 1 0 298.770 1.725 40 0 CDABRO C[C@H]([NH3+])C(=O)N(CC(=O)c1cccs1)C1CC1 ZINC000079436322 177490041 /nfs/dbraw/zinc/49/00/41/177490041.db2.gz ZAKZPZSXTLJXJF-QMMMGPOBSA-N 1 0 252.339 1.269 40 0 CDABRO CC[NH+](CC)C[C@@H]1CCC2(CN(c3ncccn3)C2)OC1 ZINC000248261103 276331319 /nfs/dbraw/zinc/33/13/19/276331319.db2.gz QPKIWDQPHDZXBA-AWEZNQCLSA-N 1 0 290.411 1.804 40 0 CDABRO CCn1nc(C)c2nc(C)nc(N3CC[NH+](C)CC3)c21 ZINC000057312595 276722644 /nfs/dbraw/zinc/72/26/44/276722644.db2.gz ZDUILFGAVRQYJG-UHFFFAOYSA-N 1 0 274.372 1.215 40 0 CDABRO C[N@H+]1Cc2cccn2C[C@@H](OCc2ccccn2)C1 ZINC000248140149 277213170 /nfs/dbraw/zinc/21/31/70/277213170.db2.gz QABPXBSHNGWTSY-HNNXBMFYSA-N 1 0 257.337 1.914 40 0 CDABRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1N(C)C ZINC000075649351 277251899 /nfs/dbraw/zinc/25/18/99/277251899.db2.gz GTNJVGGWOCTEMC-CQSZACIVSA-N 1 0 261.369 1.463 40 0 CDABRO O=C1[C@H]2Cc3ccccc3CN2C(=O)N1CC[NH+]1CCCC1 ZINC000001630686 280328740 /nfs/dbraw/zinc/32/87/40/280328740.db2.gz FDAIKWTXWRINOB-OAHLLOKOSA-N 1 0 299.374 1.471 40 0 CDABRO Cc1cccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000157534205 281226653 /nfs/dbraw/zinc/22/66/53/281226653.db2.gz HCMUEQPGEAZINA-HNNXBMFYSA-N 1 0 275.396 1.939 40 0 CDABRO C[NH+](C)CC[C@@H]1CN(C(=O)N2CCCC2)Cc2ccnn21 ZINC000306135453 289179960 /nfs/dbraw/zinc/17/99/60/289179960.db2.gz ORBSHFFREXSUNZ-CQSZACIVSA-N 1 0 291.399 1.407 40 0 CDABRO C[N@@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000257338104 290279281 /nfs/dbraw/zinc/27/92/81/290279281.db2.gz YVVRQHDHAIDNFJ-SWLSCSKDSA-N 1 0 262.328 1.894 40 0 CDABRO C[NH2+]CCC[NH2+]Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000062718614 327915550 /nfs/dbraw/zinc/91/55/50/327915550.db2.gz RHHZPWUKVDEZMO-UHFFFAOYSA-N 1 0 275.352 1.425 40 0 CDABRO CC(C)c1ccc(CN2CC[C@H](C[NH3+])S2(=O)=O)cc1 ZINC000260762773 328066884 /nfs/dbraw/zinc/06/68/84/328066884.db2.gz HKHZAULQLYMLSW-CQSZACIVSA-N 1 0 282.409 1.673 40 0 CDABRO CC[C@H](C)[C@](C)(O)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000132948385 323211077 /nfs/dbraw/zinc/21/10/77/323211077.db2.gz CBJRJCWNSRRCPY-VYESFELBSA-N 1 0 270.417 1.820 40 0 CDABRO Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3NN)c1 ZINC000085398051 518188491 /nfs/dbraw/zinc/18/84/91/518188491.db2.gz YCCSYVSZRASOHC-UHFFFAOYSA-N 1 0 254.297 1.718 40 0 CDABRO C[NH+]1CCC2(CCN2C(=O)c2cncs2)CC1 ZINC000748323953 576905687 /nfs/dbraw/zinc/90/56/87/576905687.db2.gz JOOOJQIXVFZDBS-UHFFFAOYSA-N 1 0 251.355 1.453 40 0 CDABRO CNc1ccc(C)cc1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000902537348 624901389 /nfs/dbraw/zinc/90/13/89/624901389.db2.gz MSVMWDOKFSBSRP-UHFFFAOYSA-N 1 0 297.424 1.207 40 0 CDABRO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C(=O)CCCC[C@@H]21 ZINC001547139831 967458600 /nfs/dbraw/zinc/45/86/00/967458600.db2.gz SIHSXNRSSWYSFM-UTUOFQBUSA-N 1 0 253.342 1.772 40 0 CDABRO [NH3+]CC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC001560409986 970057111 /nfs/dbraw/zinc/05/71/11/970057111.db2.gz AQTXCGPSCIDAJE-UHFFFAOYSA-N 1 0 294.306 1.110 40 0 CDABRO Cc1ncsc1CN1C[C@@H]([NH+](C)C)[C@H]2OCCC[C@H]2C1 ZINC000096040585 185069158 /nfs/dbraw/zinc/06/91/58/185069158.db2.gz XWWIRRKUOMPHGH-GUTXKFCHSA-N 1 0 295.452 1.993 40 0 CDABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccccn3)CC2)N1 ZINC000096047457 185073417 /nfs/dbraw/zinc/07/34/17/185073417.db2.gz HBYWYXQQDJTYRG-HNNXBMFYSA-N 1 0 259.353 1.716 40 0 CDABRO Cn1cc(N2CC[C@]3(CC[N@H+](CC4CC4)C3)C2=O)cn1 ZINC000096050549 185074351 /nfs/dbraw/zinc/07/43/51/185074351.db2.gz YTGCXZHEQQCSKS-HNNXBMFYSA-N 1 0 274.368 1.259 40 0 CDABRO CN(C)C(=O)[C@@H]1CCC2(CC[NH+](Cc3ccco3)CC2)O1 ZINC000096061118 185082895 /nfs/dbraw/zinc/08/28/95/185082895.db2.gz YVBLBGWJJRGRRM-AWEZNQCLSA-N 1 0 292.379 1.881 40 0 CDABRO Cc1nocc1C(=O)N1CCC2(C[C@@H]([NH+](C)C)CO2)CC1 ZINC000096074121 185087749 /nfs/dbraw/zinc/08/77/49/185087749.db2.gz QMRIXNXKSMBLBD-GFCCVEGCSA-N 1 0 293.367 1.308 40 0 CDABRO Cn1ccnc1CN1CC[C@@]2(CC[N@@H+]2CC2CC2)C1 ZINC000096075980 185090240 /nfs/dbraw/zinc/09/02/40/185090240.db2.gz FEUCKHMQSMPEEL-OAHLLOKOSA-N 1 0 260.385 1.480 40 0 CDABRO Cn1nc(C(=O)N[C@H]2CCCC[C@@H]2C[NH+](C)C)cc1Cl ZINC000072246117 282133559 /nfs/dbraw/zinc/13/35/59/282133559.db2.gz HGAABIRSKXVAQJ-MNOVXSKESA-N 1 0 298.818 1.924 40 0 CDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccoc2)C1 ZINC000096059172 282141579 /nfs/dbraw/zinc/14/15/79/282141579.db2.gz JQBXVHLHZTVIFK-CQSZACIVSA-N 1 0 274.368 1.670 40 0 CDABRO COCc1nnc2n1CC[N@@H+](Cc1ccc(C)o1)[C@@H](C)C2 ZINC000585097703 342211564 /nfs/dbraw/zinc/21/15/64/342211564.db2.gz MWMCIZTTZVEKJK-NSHDSACASA-N 1 0 290.367 1.773 40 0 CDABRO CO[C@]1(CCC(N)=O)CCC[N@H+](Cc2ccncc2C)C1 ZINC000585277323 342256455 /nfs/dbraw/zinc/25/64/55/342256455.db2.gz UMZJZIKSZKXKSZ-INIZCTEOSA-N 1 0 291.395 1.637 40 0 CDABRO OCCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585285868 342258645 /nfs/dbraw/zinc/25/86/45/342258645.db2.gz SSYBLVKVTYPCDP-RRFJBIMHSA-N 1 0 283.343 1.459 40 0 CDABRO COC(=O)[C@H](NCc1ccc(OC)c(OC)c1)C(C)C ZINC000069610767 362004096 /nfs/dbraw/zinc/00/40/96/362004096.db2.gz HUKPCCNVJOCHEH-CQSZACIVSA-N 1 0 281.352 1.991 40 0 CDABRO c1cc2n(n1)C[C@H](C[NH+]1CCCC1)CN(CC1CC1)C2 ZINC000253604088 362440905 /nfs/dbraw/zinc/44/09/05/362440905.db2.gz SWZIHYYWPLGKQV-OAHLLOKOSA-N 1 0 274.412 1.821 40 0 CDABRO COCc1ccc([C@H]2CCC[N@@H+]2C[C@@](C)(O)C(C)=O)o1 ZINC000332386905 362500204 /nfs/dbraw/zinc/50/02/04/362500204.db2.gz QCEOFVMKDGVYEC-UKRRQHHQSA-N 1 0 281.352 1.903 40 0 CDABRO C[NH2+]CC1(O)CCN(c2ccnc3ccncc32)CC1 ZINC000257226015 362579731 /nfs/dbraw/zinc/57/97/31/362579731.db2.gz FIUCFLLLYPIKIS-UHFFFAOYSA-N 1 0 272.352 1.181 40 0 CDABRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 ZINC000044528696 370650700 /nfs/dbraw/zinc/65/07/00/370650700.db2.gz AMIUZKSUZJOKKX-SMDDNHRTSA-N 1 0 276.336 1.024 40 0 CDABRO Cc1nc([C@@H]2CCC[NH2+]C2)ncc1C(=O)NC1CCCC1 ZINC000019766852 348736386 /nfs/dbraw/zinc/73/63/86/348736386.db2.gz UFNKDOFZADTHSM-GFCCVEGCSA-N 1 0 288.395 1.924 40 0 CDABRO O=C(C[NH2+]CCO)Nc1cccc(OC(F)(F)F)c1 ZINC000090741298 180034976 /nfs/dbraw/zinc/03/49/76/180034976.db2.gz XMZWDWKEOIVJAZ-UHFFFAOYSA-N 1 0 278.230 1.106 40 0 CDABRO C[C@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000110641216 186307855 /nfs/dbraw/zinc/30/78/55/186307855.db2.gz VMDZXINKFCTKOC-FZKCQIBNSA-N 1 0 282.428 1.333 40 0 CDABRO O=C(N[C@@H]1CCC[C@H](CO)C1)C1C[NH+](C2CCCCC2)C1 ZINC000334057345 363408030 /nfs/dbraw/zinc/40/80/30/363408030.db2.gz WCSLOMZNMSSVTP-DZGCQCFKSA-N 1 0 294.439 1.918 40 0 CDABRO CN1C(=O)N(C)C2(CC[NH+](CCCCCCF)CC2)C1=O ZINC000001641812 355944393 /nfs/dbraw/zinc/94/43/93/355944393.db2.gz CGHXRYBTGSMLOS-UHFFFAOYSA-N 1 0 299.390 1.875 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(F)c1 ZINC000004497863 356032703 /nfs/dbraw/zinc/03/27/03/356032703.db2.gz OFUNOGPCVYCCBD-ZDUSSCGKSA-N 1 0 293.342 1.365 40 0 CDABRO Cc1nc(N)ncc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000019655663 356494283 /nfs/dbraw/zinc/49/42/83/356494283.db2.gz CHQXRXLMOVAMTI-UHFFFAOYSA-N 1 0 289.383 1.068 40 0 CDABRO COC(=O)c1ccccc1[C@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000019796157 356505476 /nfs/dbraw/zinc/50/54/76/356505476.db2.gz YYWZIYAHKREOHX-GFCCVEGCSA-N 1 0 294.351 1.998 40 0 CDABRO CCCOC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000031666619 356767462 /nfs/dbraw/zinc/76/74/62/356767462.db2.gz FFIKEKOQJUSGDE-INIZCTEOSA-N 1 0 278.396 1.596 40 0 CDABRO [NH3+]CCOC[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079390645 356988659 /nfs/dbraw/zinc/98/86/59/356988659.db2.gz WCQSRTYAGYAFMI-CQSZACIVSA-N 1 0 278.352 1.763 40 0 CDABRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)cc(OC)c1OC ZINC000054370345 357319533 /nfs/dbraw/zinc/31/95/33/357319533.db2.gz KQVYUQQQBZKQKI-JTQLQIEISA-N 1 0 294.351 1.146 40 0 CDABRO CCc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@H]2C[NH3+])cc1 ZINC000218540504 357454594 /nfs/dbraw/zinc/45/45/94/357454594.db2.gz KCNTZBMFYQZVHI-UPJWGTAASA-N 1 0 253.367 1.334 40 0 CDABRO [NH3+]C[C@@H](O)COCc1cccc(Br)c1 ZINC000095096275 366435156 /nfs/dbraw/zinc/43/51/56/366435156.db2.gz XWNSQEHMVYXBSF-SNVBAGLBSA-N 1 0 260.131 1.285 40 0 CDABRO C[NH+](C)CCNC(=O)Cc1cccc(Br)c1 ZINC000194764118 358391627 /nfs/dbraw/zinc/39/16/27/358391627.db2.gz OLKNUSCLCCHBIK-UHFFFAOYSA-N 1 0 285.185 1.669 40 0 CDABRO C[N@@H+]1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccccc1 ZINC000096184239 358712830 /nfs/dbraw/zinc/71/28/30/358712830.db2.gz RUZAPSSIUPGGPE-UONOGXRCSA-N 1 0 280.393 1.295 40 0 CDABRO c1cc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)ccn1 ZINC000096183281 358713238 /nfs/dbraw/zinc/71/32/38/358713238.db2.gz DABADBDWDFLXAT-DLBZAZTESA-N 1 0 287.407 1.767 40 0 CDABRO CCc1ccc(C[NH2+]C[C@H]2COCc3c(C)nnn3C2)o1 ZINC000096199311 358717364 /nfs/dbraw/zinc/71/73/64/358717364.db2.gz KXKUWKNXLOMRRQ-GFCCVEGCSA-N 1 0 290.367 1.678 40 0 CDABRO COC[C@H]1C(=O)NCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096207839 358720552 /nfs/dbraw/zinc/72/05/52/358720552.db2.gz AUJHLTDADBCPMP-AWEZNQCLSA-N 1 0 289.379 1.056 40 0 CDABRO OCCN1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226767 358722984 /nfs/dbraw/zinc/72/29/84/358722984.db2.gz BMTCVLNLHAGCRF-MRXNPFEDSA-N 1 0 294.370 1.489 40 0 CDABRO C[N@H+]1C[C@@H]2c3c(cccc3F)[C@H](NS(C)(=O)=O)[C@@H]2C1 ZINC000096261712 358729608 /nfs/dbraw/zinc/72/96/08/358729608.db2.gz VWJYRLVAMAHDIT-CWSCBRNRSA-N 1 0 284.356 1.075 40 0 CDABRO O=C(c1cscn1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC000096268937 358731209 /nfs/dbraw/zinc/73/12/09/358731209.db2.gz HMYWSFZEUMASBF-QWHCGFSZSA-N 1 0 285.372 1.855 40 0 CDABRO O=C(CCc1cn[nH]c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000630016779 364429488 /nfs/dbraw/zinc/42/94/88/364429488.db2.gz KFLMTFHJHXYKCV-AWEZNQCLSA-N 1 0 290.411 1.866 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@@H]1c1ccc(F)cc1 ZINC000218614582 373945737 /nfs/dbraw/zinc/94/57/37/373945737.db2.gz XVHGYMBGPQNORA-SDDRHHMPSA-N 1 0 257.330 1.301 40 0 CDABRO CC(C)[N@@H+]1C[C@H]2OC[C@H](CNC(=O)c3cccnc3)[C@H]2C1 ZINC000248026026 189944151 /nfs/dbraw/zinc/94/41/51/189944151.db2.gz WHGMAWRLLNAQHR-RRFJBIMHSA-N 1 0 289.379 1.167 40 0 CDABRO Cc1ccc(-c2nnc(CN3CC[NH2+]CC3)[nH]2)cc1 ZINC000064875457 374241267 /nfs/dbraw/zinc/24/12/67/374241267.db2.gz MSGFGIMYSWETIS-UHFFFAOYSA-N 1 0 257.341 1.185 40 0 CDABRO COC(CN1CCC([N@@H+]2CCC[C@@H]2C)CC1)OC ZINC000225450885 374427777 /nfs/dbraw/zinc/42/77/77/374427777.db2.gz VPPVVQFHXYOCGE-LBPRGKRZSA-N 1 0 256.390 1.554 40 0 CDABRO CC(=O)N[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1O ZINC000257220835 190015052 /nfs/dbraw/zinc/01/50/52/190015052.db2.gz DMJFZFRPSFNNOU-IAGOWNOFSA-N 1 0 284.359 1.521 40 0 CDABRO C[C@@H]1CN(c2cccc(C3CC[NH2+]CC3)n2)C(=O)O1 ZINC000257248115 190020012 /nfs/dbraw/zinc/02/00/12/190020012.db2.gz JCEXNBGXCQGSSH-SNVBAGLBSA-N 1 0 261.325 1.894 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2ccnc(C)n2)cc1 ZINC000257256939 190021782 /nfs/dbraw/zinc/02/17/82/190021782.db2.gz KNLVFDWVNUQVCC-KRWDZBQOSA-N 1 0 298.390 1.940 40 0 CDABRO COC[C@@]1([NH3+])C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218004579 375776211 /nfs/dbraw/zinc/77/62/11/375776211.db2.gz XMBNVDRJNGNVCA-QWRGUYRKSA-N 1 0 275.757 1.230 40 0 CDABRO COCCN(C)C(=O)c1ccccc1-n1cc(C[NH3+])cn1 ZINC000257286799 190027221 /nfs/dbraw/zinc/02/72/21/190027221.db2.gz PNBRHTVCGCPMFS-UHFFFAOYSA-N 1 0 288.351 1.049 40 0 CDABRO Cn1cc(-c2cncc(C[C@@H]3CCC[NH2+]C3)n2)cn1 ZINC000257289994 190027742 /nfs/dbraw/zinc/02/77/42/190027742.db2.gz QBAPCLRVSZWITL-NSHDSACASA-N 1 0 257.341 1.419 40 0 CDABRO CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@@]2(C[NH3+])CO)cc1 ZINC000218438646 375836013 /nfs/dbraw/zinc/83/60/13/375836013.db2.gz OWGHEIDQVFILHI-ILXRZTDVSA-N 1 0 297.420 1.087 40 0 CDABRO c1cnc(Nc2nccnc2[C@H]2CCC[NH2+]C2)cn1 ZINC000257306071 190031126 /nfs/dbraw/zinc/03/11/26/190031126.db2.gz SSUFGPISANSCEM-JTQLQIEISA-N 1 0 256.313 1.477 40 0 CDABRO [NH3+][C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257314398 190032527 /nfs/dbraw/zinc/03/25/27/190032527.db2.gz UWTQDORFOFAFHP-WCVJEAGWSA-N 1 0 294.370 1.520 40 0 CDABRO CCOc1ccc(OCCN2CC[NH+](CCO)CC2)cc1 ZINC000042975717 379670013 /nfs/dbraw/zinc/67/00/13/379670013.db2.gz YNFUKCAOEOWNAF-UHFFFAOYSA-N 1 0 294.395 1.074 40 0 CDABRO O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1C[NH+]1CCCCCC1 ZINC000012379049 285011987 /nfs/dbraw/zinc/01/19/87/285011987.db2.gz AFAZTTCPOISWOF-CRWXNKLISA-N 1 0 274.364 1.627 40 0 CDABRO CC[NH+]1CCC2(CC1)C[C@H]1C[C@H]3C=C[C@]1(CN2C(C)=O)O3 ZINC000003894369 285192528 /nfs/dbraw/zinc/19/25/28/285192528.db2.gz ILVPOFGJZSFGPB-BFYDXBDKSA-N 1 0 290.407 1.807 40 0 CDABRO Cc1cnc(N2C[C@H]3CC[N@H+](CC4CC4)C[C@@H]3C2)nc1 ZINC000096249174 256834798 /nfs/dbraw/zinc/83/47/98/256834798.db2.gz ICVSXODNLQVSJE-HUUCEWRRSA-N 1 0 272.396 1.953 40 0 CDABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)C(=O)N1C ZINC000096261400 256838020 /nfs/dbraw/zinc/83/80/20/256838020.db2.gz UWQBWIHZCPJOHE-HLLBOEOZSA-N 1 0 298.390 1.553 40 0 CDABRO COC(=O)c1nnn(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000096517156 390531887 /nfs/dbraw/zinc/53/18/87/390531887.db2.gz VUWCFHCXDUADGL-UHFFFAOYSA-N 1 0 286.335 1.521 40 0 CDABRO Cc1nn(C)c(C)c1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000096523674 390537595 /nfs/dbraw/zinc/53/75/95/390537595.db2.gz OTTVSLFTPORGKR-CYBMUJFWSA-N 1 0 250.390 1.468 40 0 CDABRO CC(=O)N1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216215 390621126 /nfs/dbraw/zinc/62/11/26/390621126.db2.gz HLFAUOQCFOEKBA-CQSZACIVSA-N 1 0 275.352 1.602 40 0 CDABRO Cc1cc([C@H]2CCC[N@H+]2C)cnc1N1CCOCC1 ZINC000072219326 390623133 /nfs/dbraw/zinc/62/31/33/390623133.db2.gz ZFVUBUVXLUXHGD-CQSZACIVSA-N 1 0 261.369 1.993 40 0 CDABRO Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1[C@@H](C)O ZINC000072224750 390625119 /nfs/dbraw/zinc/62/51/19/390625119.db2.gz PTXDVBJMZHVSKF-CYBMUJFWSA-N 1 0 263.385 1.974 40 0 CDABRO CC(C)[N@@H+]1CCOC[C@]2(CN(Cc3ccco3)CCO2)C1 ZINC000096049713 390912247 /nfs/dbraw/zinc/91/22/47/390912247.db2.gz HUIZJLSBUPQGIS-INIZCTEOSA-N 1 0 294.395 1.591 40 0 CDABRO COC[C@@H](O)C[N@@H+]1C[C@H](c2ccsc2)C[C@H]1C ZINC000096421809 391189644 /nfs/dbraw/zinc/18/96/44/391189644.db2.gz CEZFHQKVRBAQLO-RTXFEEFZSA-N 1 0 255.383 1.933 40 0 CDABRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000064247398 391473910 /nfs/dbraw/zinc/47/39/10/391473910.db2.gz MJWZZSYEQPJDDU-CYBMUJFWSA-N 1 0 294.399 1.872 40 0 CDABRO CC(C)[N@@H+]1CCC[C@@H]1c1cnc(N2CCOC2=O)cn1 ZINC000257201629 391648415 /nfs/dbraw/zinc/64/84/15/391648415.db2.gz AIJJMDDWDAXBPX-GFCCVEGCSA-N 1 0 276.340 1.979 40 0 CDABRO CCN1CCC[C@H]1C[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062718454 392804547 /nfs/dbraw/zinc/80/45/47/392804547.db2.gz INQRFDUMKGAKBQ-AWEZNQCLSA-N 1 0 277.416 1.871 40 0 CDABRO C[NH+](C)C[C@@H]1CO[C@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000096078527 398070442 /nfs/dbraw/zinc/07/04/42/398070442.db2.gz WBZVGICNINLORA-CVEARBPZSA-N 1 0 294.395 1.449 40 0 CDABRO C[NH+](C)CCNC(=O)Nc1c[nH]c2ccccc2c1=O ZINC000004907329 170039697 /nfs/dbraw/zinc/03/96/97/170039697.db2.gz RWDQDUSAIMPMLP-UHFFFAOYSA-N 1 0 274.324 1.211 40 0 CDABRO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1F ZINC000005251184 170079602 /nfs/dbraw/zinc/07/96/02/170079602.db2.gz ICWFDXOQSMXMER-UHFFFAOYSA-N 1 0 281.331 1.141 40 0 CDABRO CC1(C)CC2CC(C)(C)[NH+]1CCOC(=O)CCC(=O)O2 ZINC000005644988 170123541 /nfs/dbraw/zinc/12/35/41/170123541.db2.gz NDZNITMWGHZIFL-UHFFFAOYSA-N 1 0 283.368 1.888 40 0 CDABRO COc1ccc(NC(=S)NCC[NH+](C)C)c(OC)c1 ZINC000006948523 170258502 /nfs/dbraw/zinc/25/85/02/170258502.db2.gz NVSIQKLCROSWFO-UHFFFAOYSA-N 1 0 283.397 1.552 40 0 CDABRO C[NH+](C)CCNC(=S)Nc1ccc2c(c1)OCO2 ZINC000007521834 170288354 /nfs/dbraw/zinc/28/83/54/170288354.db2.gz QTTDIFJELPQPPU-UHFFFAOYSA-N 1 0 267.354 1.263 40 0 CDABRO O=C(CCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000020437138 171202431 /nfs/dbraw/zinc/20/24/31/171202431.db2.gz POWKNAVDGFNMSG-UHFFFAOYSA-N 1 0 250.317 1.694 40 0 CDABRO COc1cccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022163613 171364455 /nfs/dbraw/zinc/36/44/55/171364455.db2.gz NIWVOHGOFAIGBA-TYNCELHUSA-N 1 0 264.369 1.804 40 0 CDABRO COc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000022173810 171369296 /nfs/dbraw/zinc/36/92/96/171369296.db2.gz SVLWYWYUBOCXDQ-SCRDCRAPSA-N 1 0 294.395 1.813 40 0 CDABRO CC[NH+]1CCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000022585947 171392876 /nfs/dbraw/zinc/39/28/76/171392876.db2.gz BABAQWACRPWCAH-AWEZNQCLSA-N 1 0 269.433 1.658 40 0 CDABRO C[C@@H]1CC2(CCC2)CN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653167736 412105327 /nfs/dbraw/zinc/10/53/27/412105327.db2.gz BJCFLDFLHVWWGM-XUJVJEKNSA-N 1 0 264.369 1.014 40 0 CDABRO Cc1cc(C)cc(OCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000028227089 171551989 /nfs/dbraw/zinc/55/19/89/171551989.db2.gz LMXPPPBKNMJCBB-HNNXBMFYSA-N 1 0 288.391 1.989 40 0 CDABRO c1ccc(CCNc2cnc([C@H]3CCC[NH2+]3)cn2)nc1 ZINC000072386843 176392341 /nfs/dbraw/zinc/39/23/41/176392341.db2.gz NEANBLRFJQNAIT-CYBMUJFWSA-N 1 0 269.352 1.951 40 0 CDABRO CC(C)Nc1ncc(C[NH2+]Cc2ccncc2)cn1 ZINC000062717641 262302660 /nfs/dbraw/zinc/30/26/60/262302660.db2.gz NTEIBBVIRNDYGV-UHFFFAOYSA-N 1 0 257.341 1.982 40 0 CDABRO CNC(=O)[C@H]1CN(C)CC[N@@H+](C2CCCCCC2)C1 ZINC000257236922 277253408 /nfs/dbraw/zinc/25/34/08/277253408.db2.gz HEINARJCCRQZOK-ZDUSSCGKSA-N 1 0 267.417 1.319 40 0 CDABRO Cc1cccc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)c1 ZINC000019235074 281217912 /nfs/dbraw/zinc/21/79/12/281217912.db2.gz RZASGOHQXDTGDU-UHFFFAOYSA-N 1 0 283.375 1.988 40 0 CDABRO C[C@H]([NH2+]CCN(C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000230024211 289956855 /nfs/dbraw/zinc/95/68/55/289956855.db2.gz YKTYQTJPTLNLGO-UPJWGTAASA-N 1 0 255.406 1.031 40 0 CDABRO CC(C)(C)n1nccc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000225814251 333182837 /nfs/dbraw/zinc/18/28/37/333182837.db2.gz HPHBQZMYTWVHKI-JTQLQIEISA-N 1 0 250.346 1.719 40 0 CDABRO CNC(=O)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000068818223 524064973 /nfs/dbraw/zinc/06/49/73/524064973.db2.gz XGEQLZIQCGRKRF-NSHDSACASA-N 1 0 252.333 1.873 40 0 CDABRO C[C@]1(C(F)(F)F)CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000709547807 750684844 /nfs/dbraw/zinc/68/48/44/750684844.db2.gz LLVAJVOQTFKWMZ-VIFPVBQESA-N 1 0 250.264 1.669 40 0 CDABRO CC[NH+](CC)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)Cc2ccnn21 ZINC000575405388 342451838 /nfs/dbraw/zinc/45/18/38/342451838.db2.gz HQWYXVCGALZHTO-BPLDGKMQSA-N 1 0 290.411 1.764 40 0 CDABRO Cn1cnc2c1[C@H](COCC1CCOCC1)C[NH2+]C2 ZINC000096044994 185072114 /nfs/dbraw/zinc/07/21/14/185072114.db2.gz CXXQPKQHKAAHMU-LBPRGKRZSA-N 1 0 265.357 1.050 40 0 CDABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096048137 185073261 /nfs/dbraw/zinc/07/32/61/185073261.db2.gz QIRKUWDNJMTHCZ-AWEZNQCLSA-N 1 0 262.353 1.852 40 0 CDABRO O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC000096053751 185074485 /nfs/dbraw/zinc/07/44/85/185074485.db2.gz LPBJEIWKQSERJG-HUUCEWRRSA-N 1 0 297.358 1.879 40 0 CDABRO O=C(N1CCCC1)N1CC[N@@H+]2C[C@@H](OCC3CC3)C[C@@H]2C1 ZINC000096055006 185075425 /nfs/dbraw/zinc/07/54/25/185075425.db2.gz PAURGSWULQWVEN-CABCVRRESA-N 1 0 293.411 1.387 40 0 CDABRO CCOc1ncnc2c1CC[N@H+](Cc1cccnc1)CC2 ZINC000096058762 185079501 /nfs/dbraw/zinc/07/95/01/185079501.db2.gz ADIDHRMONYQEOG-UHFFFAOYSA-N 1 0 284.363 1.871 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096107932 185100203 /nfs/dbraw/zinc/10/02/03/185100203.db2.gz SLVQRFWGDVWOOP-DZGCQCFKSA-N 1 0 264.344 1.588 40 0 CDABRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC000096110728 185100559 /nfs/dbraw/zinc/10/05/59/185100559.db2.gz PVMLHMKMJKLYDX-OLZOCXBDSA-N 1 0 277.393 1.842 40 0 CDABRO Cc1nocc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000585108117 342213311 /nfs/dbraw/zinc/21/33/11/342213311.db2.gz NOHPDZLECMFDAN-UONOGXRCSA-N 1 0 275.352 1.682 40 0 CDABRO COCC[N@@H+]1CCC[C@]2(CCC(=O)N2CCF)CC1 ZINC000585100534 342212053 /nfs/dbraw/zinc/21/20/53/342212053.db2.gz MVJSCDIGRWCRIL-AWEZNQCLSA-N 1 0 272.364 1.449 40 0 CDABRO C[N@@H+]1CCOCC2(CCN(C(=O)C3CC(F)C3)CC2)C1 ZINC000585102417 342212644 /nfs/dbraw/zinc/21/26/44/342212644.db2.gz BMHRWZIZSCIQCT-UHFFFAOYSA-N 1 0 284.375 1.305 40 0 CDABRO CO[C@@H]1CC[N@H+](CC2CCCCC2)C[C@H]1CC(N)=O ZINC000585274642 342255945 /nfs/dbraw/zinc/25/59/45/342255945.db2.gz LPURHYUOQXLXHQ-ZIAGYGMSSA-N 1 0 268.401 1.779 40 0 CDABRO O[C@@H]1CN(Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1F ZINC000585278531 342256844 /nfs/dbraw/zinc/25/68/44/342256844.db2.gz OMJSSQXBZZWYAA-UKRRQHHQSA-N 1 0 289.354 1.974 40 0 CDABRO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2CC2(O)CCCCC2)N1 ZINC000585285136 342258688 /nfs/dbraw/zinc/25/86/88/342258688.db2.gz WEAOVKHSXNVEHF-UONOGXRCSA-N 1 0 280.412 1.815 40 0 CDABRO CCc1ccc(C[N@@H+]2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2C(C)C)cc1 ZINC000585294525 342260074 /nfs/dbraw/zinc/26/00/74/342260074.db2.gz HUGIFCINNMLUSM-TWMKSMIVSA-N 1 0 293.407 1.172 40 0 CDABRO O=C(NCC[C@@H]1C[NH2+]Cc2ccnn21)c1ccsc1 ZINC000247471473 362112473 /nfs/dbraw/zinc/11/24/73/362112473.db2.gz FMKFVIGMOVQUPA-LLVKDONJSA-N 1 0 276.365 1.409 40 0 CDABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)n1 ZINC000332087624 362380440 /nfs/dbraw/zinc/38/04/40/362380440.db2.gz SNMMFBIXEZDNQA-NSHDSACASA-N 1 0 274.324 1.771 40 0 CDABRO Cc1csc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000205682569 348744131 /nfs/dbraw/zinc/74/41/31/348744131.db2.gz MCGIQYSFRYIHCZ-CYBMUJFWSA-N 1 0 268.382 1.195 40 0 CDABRO COc1ccc(Cc2nsc(N3CC[NH2+]CC3)n2)cc1 ZINC000035350812 348746003 /nfs/dbraw/zinc/74/60/03/348746003.db2.gz CCVDPMLMJBYDDG-UHFFFAOYSA-N 1 0 290.392 1.547 40 0 CDABRO Fc1cccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196263 186162621 /nfs/dbraw/zinc/16/26/21/186162621.db2.gz SDGGTUGKJUYFFV-HLLBOEOZSA-N 1 0 290.382 1.978 40 0 CDABRO Cc1cccc(C[N@H+]2CC[C@]3(C[C@H]3C(=O)N(C)C)C2)n1 ZINC000107235808 186163140 /nfs/dbraw/zinc/16/31/40/186163140.db2.gz SYWZZOGEMGYICF-HOCLYGCPSA-N 1 0 273.380 1.690 40 0 CDABRO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3=CCCCC3)C[C@@H]2C1 ZINC000096107944 283001244 /nfs/dbraw/zinc/00/12/44/283001244.db2.gz DMACNWJAKYWAAI-UONOGXRCSA-N 1 0 264.369 1.276 40 0 CDABRO CC(C)[N@H+](CCO)C[C@H]1COc2ccccc2O1 ZINC000050103763 355888332 /nfs/dbraw/zinc/88/83/32/355888332.db2.gz PZFNQHKQDFISBZ-LBPRGKRZSA-N 1 0 251.326 1.529 40 0 CDABRO COc1ccc(NP2(=O)OCC(C)([NH3+])CO2)cc1 ZINC000001704611 355948623 /nfs/dbraw/zinc/94/86/23/355948623.db2.gz GSXSCTIAXAQNCT-UHFFFAOYSA-N 1 0 272.241 1.979 40 0 CDABRO COc1ccc([C@H](C)[NH2+]CC(OC)OC)cc1O ZINC000003847254 356011268 /nfs/dbraw/zinc/01/12/68/356011268.db2.gz HBZSDJIHYFXWII-VIFPVBQESA-N 1 0 255.314 1.670 40 0 CDABRO Nc1ccccc1OCCCCCN1CC[NH2+]CC1 ZINC000019367445 356482552 /nfs/dbraw/zinc/48/25/52/356482552.db2.gz UGEUMUSYCNRMFG-UHFFFAOYSA-N 1 0 263.385 1.723 40 0 CDABRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC000019527291 356490797 /nfs/dbraw/zinc/49/07/97/356490797.db2.gz NKBHLVZZWOPGSW-ZDUSSCGKSA-N 1 0 277.368 1.694 40 0 CDABRO CC(=O)Nc1ccc2cnn(CC3(O)CC[NH2+]CC3)c2c1 ZINC000019022824 356475002 /nfs/dbraw/zinc/47/50/02/356475002.db2.gz WSVJOMDNHRCUGE-UHFFFAOYSA-N 1 0 288.351 1.109 40 0 CDABRO C([C@H]1CCCCO1)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000023478551 356643973 /nfs/dbraw/zinc/64/39/73/356643973.db2.gz UNSLULGNELHPHQ-IYBDPMFKSA-N 1 0 282.428 1.742 40 0 CDABRO CC(C)N(C[C@H]1CC[N@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079408089 356992171 /nfs/dbraw/zinc/99/21/71/356992171.db2.gz LMZSTACSOOEMGX-ZDUSSCGKSA-N 1 0 286.416 1.946 40 0 CDABRO CN(C[C@@H]1CCC[N@@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079410932 356994282 /nfs/dbraw/zinc/99/42/82/356994282.db2.gz WGRPIUODNVOVRW-HNNXBMFYSA-N 1 0 292.379 1.712 40 0 CDABRO CN(C)C(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000057711633 357364676 /nfs/dbraw/zinc/36/46/76/357364676.db2.gz AXMIJTDQAQKYCP-UHFFFAOYSA-N 1 0 265.332 1.036 40 0 CDABRO COC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000082334611 358160333 /nfs/dbraw/zinc/16/03/33/358160333.db2.gz RPFCXONKHBFPJG-LBPRGKRZSA-N 1 0 276.336 1.754 40 0 CDABRO COCC[N@@H+]1CC[C@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158344 358710284 /nfs/dbraw/zinc/71/02/84/358710284.db2.gz NGHBZECWQYBRRX-HNNXBMFYSA-N 1 0 294.374 1.554 40 0 CDABRO C[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)Cc1ccsc1)C2 ZINC000096201948 358719357 /nfs/dbraw/zinc/71/93/57/358719357.db2.gz PPTQNOFWAPWTIY-HNNXBMFYSA-N 1 0 294.420 1.471 40 0 CDABRO C(c1nnc(C2CC2)o1)[C@]12COC[C@H]1C[N@@H+](C1CCC1)C2 ZINC000096207403 358720391 /nfs/dbraw/zinc/72/03/91/358720391.db2.gz UWDSSSOMXNLCGI-WBMJQRKESA-N 1 0 289.379 1.990 40 0 CDABRO CCN1C(=O)C[C@@H](c2ccncc2)C12CC[NH2+]CC2 ZINC000096261241 358729929 /nfs/dbraw/zinc/72/99/29/358729929.db2.gz QMFIVPMMZGWFPH-ZDUSSCGKSA-N 1 0 259.353 1.540 40 0 CDABRO O=C1CCCN1CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000336800465 359864519 /nfs/dbraw/zinc/86/45/19/359864519.db2.gz MFOTWCKRJIMOQN-AWEZNQCLSA-N 1 0 259.353 1.841 40 0 CDABRO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000237983817 360317299 /nfs/dbraw/zinc/31/72/99/360317299.db2.gz ZHUZKEZCFHWMKK-KFWWJZLASA-N 1 0 274.364 1.833 40 0 CDABRO O=C(NCCC[NH+]1CCCC1)[C@H]1COc2ccccc2O1 ZINC000010450095 365239801 /nfs/dbraw/zinc/23/98/01/365239801.db2.gz KDVBBKHIZMJBOO-OAHLLOKOSA-N 1 0 290.363 1.429 40 0 CDABRO c1cncc(COC[C@]23CCCO[C@H]2CC[NH2+]C3)c1 ZINC000306128201 367314445 /nfs/dbraw/zinc/31/44/45/367314445.db2.gz GUACBXGGQZSQLF-LSDHHAIUSA-N 1 0 262.353 1.757 40 0 CDABRO CC[NH+]1CCN(c2ccc(N)cc2NC(C)=O)CC1 ZINC000226258297 367362718 /nfs/dbraw/zinc/36/27/18/367362718.db2.gz VIUHSUYYLCKQJL-UHFFFAOYSA-N 1 0 262.357 1.369 40 0 CDABRO Cc1csc(C(=O)NC[C@H]2C[NH2+]CCCO2)c1Cl ZINC000333257126 205159322 /nfs/dbraw/zinc/15/93/22/205159322.db2.gz ZNJMUXZCSXTKAM-SECBINFHSA-N 1 0 288.800 1.818 40 0 CDABRO Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000136136302 374172675 /nfs/dbraw/zinc/17/26/75/374172675.db2.gz IVLUNOPTXNRKMT-NSHDSACASA-N 1 0 252.745 1.956 40 0 CDABRO CC(C)CCC1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000225489853 374496176 /nfs/dbraw/zinc/49/61/76/374496176.db2.gz BPXRFISPDIQYDR-KGLIPLIRSA-N 1 0 268.401 1.384 40 0 CDABRO c1nn(C2CC[NH2+]CC2)c2ncnc(N3CCCC3)c12 ZINC000228936384 541984234 /nfs/dbraw/zinc/98/42/34/541984234.db2.gz IPFKJMFNKRTOGG-UHFFFAOYSA-N 1 0 272.356 1.351 40 0 CDABRO C[N@@H+](CC(=O)NC1CCCCCCC1)C[C@H](O)C1CC1 ZINC000079767856 374840089 /nfs/dbraw/zinc/84/00/89/374840089.db2.gz FYJCRXAETZJVBD-HNNXBMFYSA-N 1 0 282.428 1.918 40 0 CDABRO Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CC[NH2+]C[C@@H]21 ZINC000306140127 374969873 /nfs/dbraw/zinc/96/98/73/374969873.db2.gz ULANISOYCKOSEF-YRGRVCCFSA-N 1 0 275.352 1.343 40 0 CDABRO c1cnc(Nc2cc(CC3CC[NH2+]CC3)ncn2)nc1 ZINC000257228141 190016046 /nfs/dbraw/zinc/01/60/46/190016046.db2.gz FSMXKAQBUSUVSY-UHFFFAOYSA-N 1 0 270.340 1.552 40 0 CDABRO Cc1c[nH]c([C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257234150 190016903 /nfs/dbraw/zinc/01/69/03/190016903.db2.gz GSJZNCOUPSKECB-GFCCVEGCSA-N 1 0 262.357 1.130 40 0 CDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000217670647 375700879 /nfs/dbraw/zinc/70/08/79/375700879.db2.gz VLUQFGBQDHELRD-VXGBXAGGSA-N 1 0 279.336 1.522 40 0 CDABRO COc1ncc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257216109 190014209 /nfs/dbraw/zinc/01/42/09/190014209.db2.gz CTCXBCORICAKQA-MRXNPFEDSA-N 1 0 298.390 1.974 40 0 CDABRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccccc2)[C@H](O)[C@@H]1O ZINC000257234247 190017384 /nfs/dbraw/zinc/01/73/84/190017384.db2.gz GSTLLPGBATXJRW-QPGZIWCOSA-N 1 0 265.353 1.094 40 0 CDABRO CNC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000257255125 190021080 /nfs/dbraw/zinc/02/10/80/190021080.db2.gz KGELZUVDLODOAC-LLVKDONJSA-N 1 0 274.324 1.352 40 0 CDABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(C)(=O)=O ZINC000218013687 375777759 /nfs/dbraw/zinc/77/77/59/375777759.db2.gz HUWQZPKWFVVEMZ-MELADBBJSA-N 1 0 283.393 1.179 40 0 CDABRO COCC(=O)N1CC[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000257284350 190026128 /nfs/dbraw/zinc/02/61/28/190026128.db2.gz PCIBUHGOCNNWNL-JSGCOSHPSA-N 1 0 254.374 1.498 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2ccn(C)n2)cc1 ZINC000257306385 190031052 /nfs/dbraw/zinc/03/10/52/190031052.db2.gz SUCNUSOQNZIYFZ-INIZCTEOSA-N 1 0 286.379 1.575 40 0 CDABRO O=C(/C=C/c1ccccc1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257341696 190037088 /nfs/dbraw/zinc/03/70/88/190037088.db2.gz ZLLQDYYJXBAOSR-GUFYHEMZSA-N 1 0 286.375 1.367 40 0 CDABRO CC(=O)N1CCO[C@@]2(CCC[N@H+](Cc3ccoc3)C2)C1 ZINC000063527674 378303436 /nfs/dbraw/zinc/30/34/36/378303436.db2.gz XUWDIHJQHQLMQA-OAHLLOKOSA-N 1 0 278.352 1.493 40 0 CDABRO CCN(C[C@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)OC(C)(C)C ZINC000079409681 285083551 /nfs/dbraw/zinc/08/35/51/285083551.db2.gz ZSJLVLHBECTLJQ-NWDGAFQWSA-N 1 0 299.415 1.582 40 0 CDABRO C[C@@H]([C@@H]([NH3+])c1ccc(Br)cc1)S(C)(=O)=O ZINC000096524765 390539940 /nfs/dbraw/zinc/53/99/40/390539940.db2.gz PHUSHTWAGLAZOI-OIBJUYFYSA-N 1 0 292.198 1.882 40 0 CDABRO NC(=O)c1sc2ncccc2c1C1CC[NH2+]CC1 ZINC000072344464 390627546 /nfs/dbraw/zinc/62/75/46/390627546.db2.gz SQGRSPVWCWMKTG-UHFFFAOYSA-N 1 0 261.350 1.862 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2ncccc2c1 ZINC000072397590 390627875 /nfs/dbraw/zinc/62/78/75/390627875.db2.gz UMAJYNWLGRKJFT-IAOVAPTHSA-N 1 0 297.402 1.874 40 0 CDABRO O=C1C[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc(F)c1 ZINC000096157204 390913350 /nfs/dbraw/zinc/91/33/50/390913350.db2.gz YQPKPXVGHZGHNR-OAHLLOKOSA-N 1 0 276.311 1.454 40 0 CDABRO C[C@@H]([NH3+])c1cc(F)c(NS(C)(=O)=O)c(F)c1 ZINC000097436740 390917268 /nfs/dbraw/zinc/91/72/68/390917268.db2.gz FORFBJNKDYMFQR-RXMQYKEDSA-N 1 0 250.270 1.356 40 0 CDABRO CCN1c2ccc(F)cc2C(=O)N[C@]12CCC[NH2+]C2 ZINC000096516607 285472495 /nfs/dbraw/zinc/47/24/95/285472495.db2.gz VWOMRGYRLLQQER-CQSZACIVSA-N 1 0 263.316 1.475 40 0 CDABRO COc1ccc(C[C@@H]2CN(C)CC[C@@H]2[NH3+])c(OC)c1OC ZINC000242390240 392693891 /nfs/dbraw/zinc/69/38/91/392693891.db2.gz AGGSXHAAIPDJDW-OLZOCXBDSA-N 1 0 294.395 1.534 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@]1(C[NH3+])COC ZINC000252514492 392796939 /nfs/dbraw/zinc/79/69/39/392796939.db2.gz CPXWCVFFZLXJNZ-MCIONIFRSA-N 1 0 283.393 1.179 40 0 CDABRO CCNc1ncc(CNCC[NH+](CC)CC)cn1 ZINC000062718417 392804413 /nfs/dbraw/zinc/80/44/13/392804413.db2.gz GICVUPVZDAVPRH-UHFFFAOYSA-N 1 0 251.378 1.340 40 0 CDABRO c1cn2c(n1)CN(c1ncccn1)C[C@@H](C[NH+]1CCCC1)C2 ZINC000096066942 285539207 /nfs/dbraw/zinc/53/92/07/285539207.db2.gz VSQFUYHWIAAKII-AWEZNQCLSA-N 1 0 298.394 1.405 40 0 CDABRO CC(C)[N@@H+]1CCC[C@@H](c2ccnc3c(C(N)=O)cnn32)C1 ZINC000257284706 397607292 /nfs/dbraw/zinc/60/72/92/397607292.db2.gz PDXGTZIYWXDRBS-LLVKDONJSA-N 1 0 287.367 1.416 40 0 CDABRO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC)CCN2C ZINC000096077123 398070320 /nfs/dbraw/zinc/07/03/20/398070320.db2.gz PIKUBPVOJRTWSB-CYBMUJFWSA-N 1 0 267.417 1.413 40 0 CDABRO CCCCOCC[NH+](CCO)CCOCCCC ZINC000005420188 170097146 /nfs/dbraw/zinc/09/71/46/170097146.db2.gz YJRZKHKOFIJIKK-UHFFFAOYSA-N 1 0 261.406 1.914 40 0 CDABRO COc1ccc(CSCC(=O)NCCC[NH+](C)C)cc1 ZINC000013669369 170575394 /nfs/dbraw/zinc/57/53/94/170575394.db2.gz ZJZJCLNYYGBFDB-UHFFFAOYSA-N 1 0 296.436 1.996 40 0 CDABRO COc1cccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000022163623 171364877 /nfs/dbraw/zinc/36/48/77/171364877.db2.gz NIWVOHGOFAIGBA-HUBLWGQQSA-N 1 0 264.369 1.804 40 0 CDABRO [NH3+]C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000034955785 171901230 /nfs/dbraw/zinc/90/12/30/171901230.db2.gz AXFIVFDSMYTBPB-UHFFFAOYSA-N 1 0 280.393 1.287 40 0 CDABRO Cc1ccc(CN(C)C[C@@]2(O)CCC[N@H+](C)C2)o1 ZINC000046087367 175391860 /nfs/dbraw/zinc/39/18/60/175391860.db2.gz CXHZLDMQJPLJRK-CQSZACIVSA-N 1 0 252.358 1.477 40 0 CDABRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000070799035 176006101 /nfs/dbraw/zinc/00/61/01/176006101.db2.gz MJENJJWQCROYFZ-MRVPVSSYSA-N 1 0 286.173 1.459 40 0 CDABRO Brc1ccccc1OC[C@@H]1C[NH2+]CCO1 ZINC000070834104 176007965 /nfs/dbraw/zinc/00/79/65/176007965.db2.gz MLGKZTMZXSWHGS-VIFPVBQESA-N 1 0 272.142 1.816 40 0 CDABRO CNC(=O)[C@]1(CCCc2ccncc2)CCCC[NH2+]1 ZINC000072343795 176372256 /nfs/dbraw/zinc/37/22/56/176372256.db2.gz AKOOLVZGIURLRB-OAHLLOKOSA-N 1 0 261.369 1.663 40 0 CDABRO C[N@@H+]1CCC[C@H]1c1cncc(Nc2cnccn2)n1 ZINC000072376202 176385150 /nfs/dbraw/zinc/38/51/50/176385150.db2.gz AUCUMDCDVMXVHW-NSHDSACASA-N 1 0 256.313 1.777 40 0 CDABRO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)cc1 ZINC000072397571 176395132 /nfs/dbraw/zinc/39/51/32/176395132.db2.gz VXPYDZKZWJSQAM-AEGPPILISA-N 1 0 276.380 1.335 40 0 CDABRO Cc1nc(NC[C@@H]2CCCO2)nc2c1C[N@H+](C)CC2 ZINC000072415032 176399226 /nfs/dbraw/zinc/39/92/26/176399226.db2.gz ZQQLVEOONZGEMR-NSHDSACASA-N 1 0 262.357 1.364 40 0 CDABRO COc1ccccc1CN(C(=O)[C@H](C)[NH3+])C(C)C ZINC000079420941 177487919 /nfs/dbraw/zinc/48/79/19/177487919.db2.gz YHUITOGCSIAVEA-NSHDSACASA-N 1 0 250.342 1.779 40 0 CDABRO COCCN1C(=O)C[C@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000096199685 265339935 /nfs/dbraw/zinc/33/99/35/265339935.db2.gz PWYMVGGTARXHHO-OAHLLOKOSA-N 1 0 288.391 1.771 40 0 CDABRO O=C(NCc1cccs1)[C@@H]1C[NH2+]CC12CCOCC2 ZINC000096241129 265345878 /nfs/dbraw/zinc/34/58/78/265345878.db2.gz LBVGQZRBHVRZIO-LBPRGKRZSA-N 1 0 280.393 1.381 40 0 CDABRO COc1cc(Br)cc2c1OC[C@@H](C[NH3+])C2 ZINC000095743789 274091029 /nfs/dbraw/zinc/09/10/29/274091029.db2.gz XDXLKCSVKBHRRH-SSDOTTSWSA-N 1 0 272.142 1.968 40 0 CDABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3cnco3)CCO2)[nH+]1 ZINC000257344983 274703164 /nfs/dbraw/zinc/70/31/64/274703164.db2.gz ZZLLISLLKKNPNO-CYBMUJFWSA-N 1 0 288.307 1.174 40 0 CDABRO CC1(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)C[NH2+]C1 ZINC000333866432 275806038 /nfs/dbraw/zinc/80/60/38/275806038.db2.gz TUYGHOZIHMVEMF-LLVKDONJSA-N 1 0 280.755 1.889 40 0 CDABRO COC(=O)c1cc2c(nc1NC(C)C)CC[NH2+]CC2 ZINC000306131505 277153223 /nfs/dbraw/zinc/15/32/23/277153223.db2.gz KGVULDDJBWBULA-UHFFFAOYSA-N 1 0 263.341 1.377 40 0 CDABRO C[C@@H]1CCC[C@@H](C)N1C(=O)CNCCC[NH+](C)C ZINC000026439530 277703668 /nfs/dbraw/zinc/70/36/68/277703668.db2.gz UHADFEGDTOFTLP-CHWSQXEVSA-N 1 0 255.406 1.317 40 0 CDABRO C[C@H]1C[NH2+]CCN1C(=O)c1nccc2ccccc21 ZINC000054369283 278453327 /nfs/dbraw/zinc/45/33/27/278453327.db2.gz QQXWEBHQSRQBPV-NSHDSACASA-N 1 0 255.321 1.669 40 0 CDABRO C[C@@H]1[C@@H]([NH3+])C(=O)N1c1cccc(Br)c1 ZINC000225776624 279085553 /nfs/dbraw/zinc/08/55/53/279085553.db2.gz MTVHDCFSVLPWIQ-HZGVNTEJSA-N 1 0 255.115 1.512 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2cccs2)N1 ZINC000022238433 279618755 /nfs/dbraw/zinc/61/87/55/279618755.db2.gz LRDQGPVDAFDJEJ-NSHDSACASA-N 1 0 297.343 1.745 40 0 CDABRO COc1ccc([C@@H]2C[N@H+](C)C[C@H]2CO)cc1OC ZINC000242718285 482431707 /nfs/dbraw/zinc/43/17/07/482431707.db2.gz XHXDOFSAVHGMOV-RYUDHWBXSA-N 1 0 251.326 1.341 40 0 CDABRO C[C@@H](SCc1ccccc1)C(=O)NCC[NH+](C)C ZINC000010111504 534000546 /nfs/dbraw/zinc/00/05/46/534000546.db2.gz CMGYHKBXHSKRNA-GFCCVEGCSA-N 1 0 266.410 1.986 40 0 CDABRO O=C(N1CCc2c(O)cccc2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877066113 755527012 /nfs/dbraw/zinc/52/70/12/755527012.db2.gz CTGJSLPPEDRBLE-WBVHZDCISA-N 1 0 286.375 1.809 40 0 CDABRO COc1cc(N[C@@H](C)C[C@H]2COCC[NH2+]2)cc(OC)c1 ZINC000133343558 756853430 /nfs/dbraw/zinc/85/34/30/756853430.db2.gz YDPUHAPWLCWAIY-AAEUAGOBSA-N 1 0 280.368 1.883 40 0 CDABRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000149410863 914992854 /nfs/dbraw/zinc/99/28/54/914992854.db2.gz KQZUBILBAGXYBO-ZJUUUORDSA-N 1 0 286.372 1.665 40 0 CDABRO CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1OC ZINC001548448012 967500698 /nfs/dbraw/zinc/50/06/98/967500698.db2.gz CZXYRTUZISPNER-TZMCWYRMSA-N 1 0 294.399 1.269 40 0 CDABRO COc1cc(-c2nnc([C@@H](C)[NH3+])[nH]2)cc(OC)c1OC ZINC000082510302 178076738 /nfs/dbraw/zinc/07/67/38/178076738.db2.gz STODMWSQRKWEED-SSDOTTSWSA-N 1 0 278.312 1.517 40 0 CDABRO CN(C)C(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096038689 185069178 /nfs/dbraw/zinc/06/91/78/185069178.db2.gz WNWCDPZRZZOTAX-BXUZGUMPSA-N 1 0 295.408 1.212 40 0 CDABRO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096043215 185070526 /nfs/dbraw/zinc/07/05/26/185070526.db2.gz RZSWMCDSVKPWOO-XQQFMLRXSA-N 1 0 280.393 1.474 40 0 CDABRO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042691 185070599 /nfs/dbraw/zinc/07/05/99/185070599.db2.gz OKFVGCIOKQWXMU-BFHYXJOUSA-N 1 0 294.420 1.816 40 0 CDABRO Cn1cc2c(n1)[C@@H](C[NH2+]Cc1cccs1)OCC2 ZINC000096059673 185080074 /nfs/dbraw/zinc/08/00/74/185080074.db2.gz NZPNJYSBVAEFDC-GFCCVEGCSA-N 1 0 263.366 1.885 40 0 CDABRO CCn1cc2c(n1)[C@H](COC)C[N@@H+](CC1CCOCC1)C2 ZINC000096059896 185081107 /nfs/dbraw/zinc/08/11/07/185081107.db2.gz BUBIHSRLPNNBIV-HNNXBMFYSA-N 1 0 293.411 1.875 40 0 CDABRO Cn1cc(C[C@H]2[C@H](O)CC[N@@H+]2Cc2ccsc2)cn1 ZINC000096061613 185082231 /nfs/dbraw/zinc/08/22/31/185082231.db2.gz RQMVIBNYNPUPCJ-UONOGXRCSA-N 1 0 277.393 1.660 40 0 CDABRO COc1cc(N2CC[C@]3(CC[N@@H+]3CC3CC3)C2)ncn1 ZINC000096075985 185089032 /nfs/dbraw/zinc/08/90/32/185089032.db2.gz LYXVBXPHKPJUDK-HNNXBMFYSA-N 1 0 274.368 1.550 40 0 CDABRO CC(C)C[N@H+]1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096080967 185091244 /nfs/dbraw/zinc/09/12/44/185091244.db2.gz IYYWLGUGPXANNQ-TXEJJXNPSA-N 1 0 279.409 1.803 40 0 CDABRO COc1ccc(CCNC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000096629228 185107996 /nfs/dbraw/zinc/10/79/96/185107996.db2.gz NMFLVZAMHIGYGU-AWEZNQCLSA-N 1 0 276.380 1.696 40 0 CDABRO CC(=O)N1CC2(C1)C[C@@H](COc1ccccn1)CC[N@H+]2C ZINC000585103259 342212714 /nfs/dbraw/zinc/21/27/14/342212714.db2.gz SNUDTQFRZGGFRM-AWEZNQCLSA-N 1 0 289.379 1.403 40 0 CDABRO Cn1ccnc1-c1nccnc1C1CC[NH+](CCO)CC1 ZINC000585178931 342232398 /nfs/dbraw/zinc/23/23/98/342232398.db2.gz VPTRBBVHMOLPBW-UHFFFAOYSA-N 1 0 287.367 1.049 40 0 CDABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1ccnc(NC)c1 ZINC000585181463 342232695 /nfs/dbraw/zinc/23/26/95/342232695.db2.gz RVAANDOVTTYJNU-CQSZACIVSA-N 1 0 290.411 1.551 40 0 CDABRO CO[C@@H]1CC[N@H+](CCC(N)=O)C[C@H]1Cc1ccccc1 ZINC000585269451 342255579 /nfs/dbraw/zinc/25/55/79/342255579.db2.gz VBHRCWFXUBVBOS-HUUCEWRRSA-N 1 0 276.380 1.441 40 0 CDABRO O=C(COC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCOCC1 ZINC000253493689 342429814 /nfs/dbraw/zinc/42/98/14/342429814.db2.gz UZCRBOXJXRSIAX-LSDHHAIUSA-N 1 0 296.411 1.126 40 0 CDABRO CC(C)(C)[C@H](NCc1cccc(F)c1F)C(N)=O ZINC000081615457 362217285 /nfs/dbraw/zinc/21/72/85/362217285.db2.gz VFTDUFTYWJXRFZ-LLVKDONJSA-N 1 0 256.296 1.954 40 0 CDABRO CS[C@H](C)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000136171754 362310864 /nfs/dbraw/zinc/31/08/64/362310864.db2.gz HFHRAPKSACQLGJ-WAAKLRNESA-N 1 0 256.415 1.775 40 0 CDABRO CC[NH+](CC)CC[C@H]1CN(C(=O)N(C)C)Cc2ccnn21 ZINC000306126595 201841698 /nfs/dbraw/zinc/84/16/98/201841698.db2.gz DZUSBRZUALSKJA-AWEZNQCLSA-N 1 0 293.415 1.653 40 0 CDABRO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@@H]2CCOC2)s1 ZINC000107200897 186162240 /nfs/dbraw/zinc/16/22/40/186162240.db2.gz DOPCMFRKOYCASB-TUAOUCFPSA-N 1 0 280.397 1.228 40 0 CDABRO CNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cn(C)nc1C)C2 ZINC000108532695 186221596 /nfs/dbraw/zinc/22/15/96/186221596.db2.gz SACSIEUMWGEEAJ-ZBFHGGJFSA-N 1 0 290.411 1.467 40 0 CDABRO Cc1cnn(CC[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000156422576 188261888 /nfs/dbraw/zinc/26/18/88/188261888.db2.gz CTQSRCJSENTUMQ-UHFFFAOYSA-N 1 0 265.357 1.467 40 0 CDABRO CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000002699728 355979176 /nfs/dbraw/zinc/97/91/76/355979176.db2.gz DBKOPMBQVCNBGL-GHMZBOCLSA-N 1 0 273.760 1.440 40 0 CDABRO COC(=O)CC[NH2+]CCSC(=O)c1ccccc1 ZINC000001871844 355953912 /nfs/dbraw/zinc/95/39/12/355953912.db2.gz ZZRAAZCUMJTEMK-UHFFFAOYSA-N 1 0 267.350 1.713 40 0 CDABRO CC(C)CC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019446429 356485874 /nfs/dbraw/zinc/48/58/74/356485874.db2.gz NSZOXBXLHNSZKQ-AWEZNQCLSA-N 1 0 288.395 1.832 40 0 CDABRO CCc1nc2ccccc2c(=O)n1CC1(O)CC[NH2+]CC1 ZINC000019523246 356489376 /nfs/dbraw/zinc/48/93/76/356489376.db2.gz JYHZDCYXTCYBKS-UHFFFAOYSA-N 1 0 287.363 1.073 40 0 CDABRO Cc1ccc(-c2ccc(=O)n(CC3(O)CC[NH2+]CC3)n2)cc1 ZINC000019212300 356477058 /nfs/dbraw/zinc/47/70/58/356477058.db2.gz DGPJPKPNOMIBKA-UHFFFAOYSA-N 1 0 299.374 1.333 40 0 CDABRO CCCS(=O)(=O)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019842802 356509273 /nfs/dbraw/zinc/50/92/73/356509273.db2.gz CYXYNMSOFRFXOP-QLFBSQMISA-N 1 0 298.452 1.556 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391362 356988128 /nfs/dbraw/zinc/98/81/28/356988128.db2.gz PDMVFECTGGFCIN-MNOVXSKESA-N 1 0 285.388 1.095 40 0 CDABRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC000079407840 356991324 /nfs/dbraw/zinc/99/13/24/356991324.db2.gz BMVGUWHUYRVAJF-NSHDSACASA-N 1 0 258.362 1.215 40 0 CDABRO COCC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089223620 357489710 /nfs/dbraw/zinc/48/97/10/357489710.db2.gz DLDRIHSIFLPVPS-NSHDSACASA-N 1 0 258.362 1.479 40 0 CDABRO CC1CCC(OC[C@@H](O)C[NH+]2CCN(C)CC2)CC1 ZINC000041690162 363597083 /nfs/dbraw/zinc/59/70/83/363597083.db2.gz UJJCSGYRYNPEAL-SLTAFYQDSA-N 1 0 270.417 1.190 40 0 CDABRO COC[C@H]1C[N@H+](CC2CC2)C2(CN(c3ncccn3)C2)C1 ZINC000585094009 358099957 /nfs/dbraw/zinc/09/99/57/358099957.db2.gz YWQWRUDXHVZSAD-CQSZACIVSA-N 1 0 288.395 1.414 40 0 CDABRO CNc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccn1 ZINC000019655624 358103269 /nfs/dbraw/zinc/10/32/69/358103269.db2.gz VTRXWYAMSTYLRS-UHFFFAOYSA-N 1 0 288.395 1.824 40 0 CDABRO O=C1CN(C2CC[NH2+]CC2)C(=O)C[C@@H](C2CCCCC2)N1 ZINC000091689955 358522327 /nfs/dbraw/zinc/52/23/27/358522327.db2.gz KYTUYIBEQRZBLO-AWEZNQCLSA-N 1 0 293.411 1.036 40 0 CDABRO c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@H]2NC[C@H]1CCCO1 ZINC000096062809 358707230 /nfs/dbraw/zinc/70/72/30/358707230.db2.gz ZHPMTRBAPZZNGH-MEYUZBJRSA-N 1 0 258.365 1.813 40 0 CDABRO CO[C@H]1CC[N@H+](C[C@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200492 358717986 /nfs/dbraw/zinc/71/79/86/358717986.db2.gz OPHSKPHKPVVZEQ-PMPSAXMXSA-N 1 0 276.380 1.750 40 0 CDABRO C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 ZINC000096228721 358724176 /nfs/dbraw/zinc/72/41/76/358724176.db2.gz XNKMCPGOWJARBL-INIZCTEOSA-N 1 0 289.379 1.266 40 0 CDABRO CC[N@@H+]1C[C@H]2C[C@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000096253365 358727574 /nfs/dbraw/zinc/72/75/74/358727574.db2.gz FZLPDGULWQAWHH-FRRDWIJNSA-N 1 0 261.325 1.129 40 0 CDABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(CCO)C[C@H]12 ZINC000096251837 358728045 /nfs/dbraw/zinc/72/80/45/358728045.db2.gz KTKVBRBKVDEJEQ-JKSUJKDBSA-N 1 0 260.381 1.327 40 0 CDABRO CC(=O)N1CCC2(CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC000096268707 358730530 /nfs/dbraw/zinc/73/05/30/358730530.db2.gz RIHPCYLUMIGPIE-AWEZNQCLSA-N 1 0 266.385 1.357 40 0 CDABRO C[C@H]([NH3+])C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000072220516 359053856 /nfs/dbraw/zinc/05/38/56/359053856.db2.gz DMXPQPZHTLIOOS-ZETCQYMHSA-N 1 0 280.715 1.353 40 0 CDABRO [NH3+]C[C@@H]1CCN(c2ccccc2Cl)S1(=O)=O ZINC000222543116 359353214 /nfs/dbraw/zinc/35/32/14/359353214.db2.gz BBUMVTDQGLAOKD-QMMMGPOBSA-N 1 0 260.746 1.207 40 0 CDABRO CCNC(=S)N1CC[NH+](C2CCSCC2)CC1 ZINC000225217154 359560958 /nfs/dbraw/zinc/56/09/58/359560958.db2.gz QFFRWJBQXWCXBB-UHFFFAOYSA-N 1 0 273.471 1.394 40 0 CDABRO CC[NH+]1CCN(c2cc(N)c(Cl)cc2N)CC1 ZINC000045891241 360034210 /nfs/dbraw/zinc/03/42/10/360034210.db2.gz YUVGNCHWAWJEEJ-UHFFFAOYSA-N 1 0 254.765 1.646 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000242728142 364571532 /nfs/dbraw/zinc/57/15/32/364571532.db2.gz YVAGOYXVYDMXGK-XYPYZODXSA-N 1 0 285.388 1.239 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000252517408 364783970 /nfs/dbraw/zinc/78/39/70/364783970.db2.gz HSYISULWWCUMBI-SRVKXCTJSA-N 1 0 299.415 1.628 40 0 CDABRO CCC[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000057551324 370836850 /nfs/dbraw/zinc/83/68/50/370836850.db2.gz DBLUSQISJVNLQP-CYBMUJFWSA-N 1 0 267.417 1.461 40 0 CDABRO CCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(N)c1 ZINC000226262927 367362614 /nfs/dbraw/zinc/36/26/14/367362614.db2.gz PLSYROWJPLUOIL-UHFFFAOYSA-N 1 0 276.384 1.759 40 0 CDABRO Cc1c[nH+]ccc1N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000573061732 371403116 /nfs/dbraw/zinc/40/31/16/371403116.db2.gz PKVWTLLTPFJPFX-LBPRGKRZSA-N 1 0 268.382 1.651 40 0 CDABRO CCc1ccc([C@@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)CC)cc1 ZINC000218495776 372917777 /nfs/dbraw/zinc/91/77/77/372917777.db2.gz BDLRAUUMHXAQOZ-JHJVBQTASA-N 1 0 253.367 1.477 40 0 CDABRO CCOc1ccc(NC(=O)NC2CC[NH2+]CC2)cc1 ZINC000012644910 374556947 /nfs/dbraw/zinc/55/69/47/374556947.db2.gz KUMWVMWNCQSJNM-UHFFFAOYSA-N 1 0 263.341 1.959 40 0 CDABRO CC(C)n1cc(C[NH2+]Cc2cnn(CCF)c2)cn1 ZINC000256053010 190004169 /nfs/dbraw/zinc/00/41/69/190004169.db2.gz PQVNLCDLEFSUJD-UHFFFAOYSA-N 1 0 265.336 1.920 40 0 CDABRO C[NH+]1CCC(Cc2cnc(N3CCOC3=O)cn2)CC1 ZINC000257257811 190021820 /nfs/dbraw/zinc/02/18/20/190021820.db2.gz KREJMBIOBNODOG-UHFFFAOYSA-N 1 0 276.340 1.318 40 0 CDABRO Cc1ccc(C2(O)CC[NH+]([C@@H]3COC[C@@H]3O)CC2)cc1 ZINC000257300653 190028888 /nfs/dbraw/zinc/02/88/88/190028888.db2.gz RVEVTJMCJYCIJM-CABCVRRESA-N 1 0 277.364 1.038 40 0 CDABRO O=C(c1cc(F)cc(F)c1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257309272 190030911 /nfs/dbraw/zinc/03/09/11/190030911.db2.gz UAHKIISNZDAAPE-ZIAGYGMSSA-N 1 0 296.317 1.246 40 0 CDABRO COCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)nc2ccccc21 ZINC000257317345 190032618 /nfs/dbraw/zinc/03/26/18/190032618.db2.gz VJKBOHMSHMCHOE-GFCCVEGCSA-N 1 0 299.374 1.688 40 0 CDABRO COCCOCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C ZINC000257341032 190037361 /nfs/dbraw/zinc/03/73/61/190037361.db2.gz ZINYYHPKPHPKPE-HOCLYGCPSA-N 1 0 298.427 1.515 40 0 CDABRO CC(C)(C)OC(=O)[C@H](N)[C@H]1c2cc(F)ccc2NC1=O ZINC000103615927 378335999 /nfs/dbraw/zinc/33/59/99/378335999.db2.gz TXWOFGOVXMDJJU-GHMZBOCLSA-N 1 0 280.299 1.530 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H](C[NH3+])[C@H]1c1ccc(OC)cc1 ZINC000242701548 390414123 /nfs/dbraw/zinc/41/41/23/390414123.db2.gz WHOQDXPLWJZSMR-JHJVBQTASA-N 1 0 269.366 1.171 40 0 CDABRO CC[C@H]([C@H]([NH3+])c1ccc(N)cc1)S(=O)(=O)CC ZINC000096524940 390539701 /nfs/dbraw/zinc/53/97/01/390539701.db2.gz PIGZCAWJJHMCOH-VXGBXAGGSA-N 1 0 256.371 1.482 40 0 CDABRO CC[C@H]([C@@H]([NH3+])c1ccc(OC)cc1)S(C)(=O)=O ZINC000096524922 390540036 /nfs/dbraw/zinc/54/00/36/390540036.db2.gz VTQUSULPHMQUGY-NEPJUHHUSA-N 1 0 257.355 1.518 40 0 CDABRO CCN1C(=O)[C@@H](N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096526070 390541022 /nfs/dbraw/zinc/54/10/22/390541022.db2.gz FFVTWRQYJMZTKR-UWVGGRQHSA-N 1 0 258.243 1.936 40 0 CDABRO O=C(NCc1cccs1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096157301 390913349 /nfs/dbraw/zinc/91/33/49/390913349.db2.gz UYUPNQSQBBCALR-CYBMUJFWSA-N 1 0 294.420 1.913 40 0 CDABRO COC[C@@H]1CCC2(CCN(c3ncccn3)CC2)[N@@H+]1C ZINC000096207143 390913427 /nfs/dbraw/zinc/91/34/27/390913427.db2.gz IYGDPIFQQDNDQH-ZDUSSCGKSA-N 1 0 276.384 1.556 40 0 CDABRO COCC[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC000096216946 390913452 /nfs/dbraw/zinc/91/34/52/390913452.db2.gz UNWKOQNBHYOHEU-OAHLLOKOSA-N 1 0 276.384 1.415 40 0 CDABRO CC(C)CC[N@@H+]1C[C@H]2C[C@@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000248235985 391429512 /nfs/dbraw/zinc/42/95/12/391429512.db2.gz CDIQOOSQMSMVMP-RBSFLKMASA-N 1 0 280.412 1.791 40 0 CDABRO Cc1nc(CN2CCC[C@]3(C[NH2+]CCO3)C2)cs1 ZINC000096226812 393010319 /nfs/dbraw/zinc/01/03/19/393010319.db2.gz INZIPKJJZCWIBU-ZDUSSCGKSA-N 1 0 267.398 1.406 40 0 CDABRO CCOc1cc(N2CCC[C@@H]([NH3+])C2)nc(SC)n1 ZINC000083321062 135016782 /nfs/dbraw/zinc/01/67/82/135016782.db2.gz MJIHGDHGHOEZQM-SECBINFHSA-N 1 0 268.386 1.525 40 0 CDABRO CO[C@@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096048151 285779434 /nfs/dbraw/zinc/77/94/34/285779434.db2.gz JYERAXNEXVFGKA-AWEZNQCLSA-N 1 0 269.385 1.683 40 0 CDABRO COC(=O)c1cccc(NC(=S)NCCC[NH+](C)C)c1 ZINC000023102751 171412449 /nfs/dbraw/zinc/41/24/49/171412449.db2.gz MPZQKDUNYRCUHQ-UHFFFAOYSA-N 1 0 295.408 1.711 40 0 CDABRO CCOC(=O)C[C@@H]([NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000026896488 171502392 /nfs/dbraw/zinc/50/23/92/171502392.db2.gz GGMFEDHKWJGYGA-GHMZBOCLSA-N 1 0 286.372 1.524 40 0 CDABRO [NH3+]CC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000044513039 175188697 /nfs/dbraw/zinc/18/86/97/175188697.db2.gz ZWDYAUNKGJEJIB-CQSZACIVSA-N 1 0 276.336 1.024 40 0 CDABRO Cc1nc([C@@H]2CCC[N@@H+](C(C)C)C2)ncc1C(N)=O ZINC000072351998 176374581 /nfs/dbraw/zinc/37/45/81/176374581.db2.gz ZSNHDLZLOJIRJO-LLVKDONJSA-N 1 0 262.357 1.472 40 0 CDABRO COCCn1cnnc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072361120 176376857 /nfs/dbraw/zinc/37/68/57/176376857.db2.gz ZVYLNHAQEQFOES-GFCCVEGCSA-N 1 0 252.362 1.717 40 0 CDABRO CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000072369531 176383995 /nfs/dbraw/zinc/38/39/95/176383995.db2.gz AYJQIRZWWSOVMB-ZDUSSCGKSA-N 1 0 286.383 1.645 40 0 CDABRO CNc1cc(Nc2nccc([C@H]3CCC[NH2+]3)n2)ncn1 ZINC000072376732 176385236 /nfs/dbraw/zinc/38/52/36/176385236.db2.gz BCPRURUHZWLTID-SECBINFHSA-N 1 0 271.328 1.476 40 0 CDABRO Nc1ccc(C[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)nn1 ZINC000072387286 176392536 /nfs/dbraw/zinc/39/25/36/176392536.db2.gz YETUVDRDWSAMNR-LLVKDONJSA-N 1 0 272.356 1.237 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2ncccc2c1 ZINC000072397656 176394809 /nfs/dbraw/zinc/39/48/09/176394809.db2.gz UMAJYNWLGRKJFT-KBRIMQKVSA-N 1 0 297.402 1.874 40 0 CDABRO CC[NH+](CC)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000104366180 276098232 /nfs/dbraw/zinc/09/82/32/276098232.db2.gz ILZUUOHDKPIIEG-TXEJJXNPSA-N 1 0 250.342 1.279 40 0 CDABRO CC(=O)N1CCO[C@]2(CCC[N@@H+](CC(C)C)C2)C1 ZINC000063527590 277000733 /nfs/dbraw/zinc/00/07/33/277000733.db2.gz AODMSANYAFMLAM-AWEZNQCLSA-N 1 0 254.374 1.356 40 0 CDABRO CN1c2ccccc2C2(CC[NH+](C)CC2)S1(=O)=O ZINC000306123919 277217383 /nfs/dbraw/zinc/21/73/83/277217383.db2.gz BALGHHOZWRFMAO-UHFFFAOYSA-N 1 0 266.366 1.387 40 0 CDABRO CC(C)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)C[NH3+] ZINC000079391099 277570176 /nfs/dbraw/zinc/57/01/76/277570176.db2.gz NCFPODCRYHLXNZ-LBPRGKRZSA-N 1 0 299.415 1.582 40 0 CDABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccccn3)CCO2)[nH+]1 ZINC000257220140 280539531 /nfs/dbraw/zinc/53/95/31/280539531.db2.gz DJSHNKUBDKCDIH-HNNXBMFYSA-N 1 0 298.346 1.581 40 0 CDABRO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC000019576534 282007463 /nfs/dbraw/zinc/00/74/63/282007463.db2.gz JZRWWLBJRXLPCS-NSHDSACASA-N 1 0 261.325 1.129 40 0 CDABRO C[N@@H+]1C[C@H]2CCC[C@]3(C1)C(=O)NC1(CCCCC1)N=C23 ZINC000000517750 290310093 /nfs/dbraw/zinc/31/00/93/290310093.db2.gz AYPMERHGGUTLLS-IUODEOHRSA-N 1 0 275.396 1.950 40 0 CDABRO O=C(CCn1ccnc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257287121 295488840 /nfs/dbraw/zinc/48/88/40/295488840.db2.gz POPQEAJKAYZQOA-HNNXBMFYSA-N 1 0 284.363 1.446 40 0 CDABRO CC[NH+](CC)C[C@@H]1OC[C@@H](NC(=O)CC(C)(C)C)[C@H]1O ZINC000514289680 330463299 /nfs/dbraw/zinc/46/32/99/330463299.db2.gz YESKRMIKCMUCFH-MBNYWOFBSA-N 1 0 286.416 1.009 40 0 biogenic,in-vitro CDABRO CC[C@H](C)[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000062717762 524004401 /nfs/dbraw/zinc/00/44/01/524004401.db2.gz QBXPSKNCNKIPCF-NSHDSACASA-N 1 0 250.346 1.201 40 0 CDABRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)CC1(C)CCCCC1 ZINC000903529346 626017752 /nfs/dbraw/zinc/01/77/52/626017752.db2.gz XSOWAMUBTOAYLR-VXGBXAGGSA-N 1 0 274.430 1.484 40 0 CDABRO CC[NH+](CC)CCNC(=O)CCC(=O)NC1CCCCC1 ZINC000199426448 1184768208 /nfs/dbraw/zinc/76/82/08/1184768208.db2.gz MSJZXPISHLLYLP-UHFFFAOYSA-N 1 0 297.443 1.674 40 0 CDABRO CO[C@H]1C[C@@H](C[NH+]2CCC3(CCN(C)C3=O)CC2)C1 ZINC000878521193 758873383 /nfs/dbraw/zinc/87/33/83/758873383.db2.gz YZFFZFQJLMLWMI-BETUJISGSA-N 1 0 266.385 1.356 40 0 CDABRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ncsc1C1CC1)C2 ZINC001548449084 969510782 /nfs/dbraw/zinc/51/07/82/969510782.db2.gz HAINQYPXECFOPV-IINYFYTJSA-N 1 0 277.393 1.702 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)CC2)cn1 ZINC000096047443 185072683 /nfs/dbraw/zinc/07/26/83/185072683.db2.gz GVHQKHFCAFRZRA-AWEZNQCLSA-N 1 0 262.357 1.055 40 0 CDABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)N(C)C)CC2 ZINC000096051780 185074838 /nfs/dbraw/zinc/07/48/38/185074838.db2.gz UADROWACUCNOIT-CQSZACIVSA-N 1 0 297.443 1.879 40 0 CDABRO Cc1noc(C)c1CN1CCO[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000096054368 185075755 /nfs/dbraw/zinc/07/57/55/185075755.db2.gz QJWGYRGNFWAPOU-CVEARBPZSA-N 1 0 291.395 1.586 40 0 CDABRO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C)o2)O1 ZINC000096057529 185078017 /nfs/dbraw/zinc/07/80/17/185078017.db2.gz JCTBJCNEXZHMHH-MGPQQGTHSA-N 1 0 278.352 1.456 40 0 CDABRO C[C@@H]1N(C)C(=O)COC12CC[NH+](Cc1ccsc1)CC2 ZINC000096062223 185082868 /nfs/dbraw/zinc/08/28/68/185082868.db2.gz YFLJVOAUBDTUEI-LBPRGKRZSA-N 1 0 294.420 1.960 40 0 CDABRO C[C@@H]1N(C)C(=O)COC12CC[NH+](Cc1ccoc1)CC2 ZINC000096062221 185082991 /nfs/dbraw/zinc/08/29/91/185082991.db2.gz XNADSCADWSTORC-LBPRGKRZSA-N 1 0 278.352 1.491 40 0 CDABRO CN1C[C@]2(CCCN(Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099398 342212172 /nfs/dbraw/zinc/21/21/72/342212172.db2.gz IBXUQXMLWVPWIK-ZDUSSCGKSA-N 1 0 280.759 1.184 40 0 CDABRO CCOCC[N@@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269281 342254554 /nfs/dbraw/zinc/25/45/54/342254554.db2.gz OGJHOKAUMVUZFJ-INIZCTEOSA-N 1 0 279.380 1.929 40 0 CDABRO c1cnc(N2CC3(C2)CC[C@@H](C[NH+]2CCCC2)CO3)nc1 ZINC000247984653 362142266 /nfs/dbraw/zinc/14/22/66/362142266.db2.gz YUPGQWHYCNFBJY-AWEZNQCLSA-N 1 0 288.395 1.558 40 0 CDABRO COCCOCC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C ZINC000257313571 362585979 /nfs/dbraw/zinc/58/59/79/362585979.db2.gz UTFRVVGMGNPDHJ-ZFWWWQNUSA-N 1 0 284.400 1.125 40 0 CDABRO CC1(C)COC(=O)N1c1cnc([C@@H]2CCC[NH2+]2)cn1 ZINC000257344566 362588365 /nfs/dbraw/zinc/58/83/65/362588365.db2.gz ZXUSOXXOKVOGAO-VIFPVBQESA-N 1 0 262.313 1.636 40 0 CDABRO CCOC(=O)C1=C(C)NC(=[NH2+])N[C@H]1c1ccc(OC)cc1 ZINC000006154384 348729072 /nfs/dbraw/zinc/72/90/72/348729072.db2.gz RSZOOLLBPUGRDR-ZDUSSCGKSA-N 1 0 289.335 1.701 40 0 CDABRO c1coc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000107746625 186189637 /nfs/dbraw/zinc/18/96/37/186189637.db2.gz ZWTCNAXGRQULHT-ZBFHGGJFSA-N 1 0 276.380 1.965 40 0 CDABRO O=C(N[C@H]1CCC[C@@H](CO)C1)C1C[NH+](C2CCCCC2)C1 ZINC000334057346 363407784 /nfs/dbraw/zinc/40/77/84/363407784.db2.gz WCSLOMZNMSSVTP-HIFRSBDPSA-N 1 0 294.439 1.918 40 0 CDABRO [NH3+]Cc1sccc1S(=O)(=O)N1CCCCC1 ZINC000015424076 356415479 /nfs/dbraw/zinc/41/54/79/356415479.db2.gz QSYJODQWQBNVQL-UHFFFAOYSA-N 1 0 260.384 1.381 40 0 CDABRO Cc1ccc2c(c1)cc(C[NH2+]C[C@H]1CCCO1)c1nnnn12 ZINC000019221196 356476954 /nfs/dbraw/zinc/47/69/54/356476954.db2.gz PAYKYTBTHLPVSD-CQSZACIVSA-N 1 0 297.362 1.855 40 0 CDABRO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)cn1 ZINC000019585521 356492101 /nfs/dbraw/zinc/49/21/01/356492101.db2.gz RNJVCBWOBGPMEX-CQSZACIVSA-N 1 0 298.394 1.712 40 0 CDABRO COC(=O)c1ccc([C@@H]([NH3+])CNC(=O)OC(C)(C)C)cc1 ZINC000019796195 356505028 /nfs/dbraw/zinc/50/50/28/356505028.db2.gz WSCKSSOLXHEIAS-LBPRGKRZSA-N 1 0 294.351 1.998 40 0 CDABRO COc1ccc(C(=O)[C@H](C)CN2CCOCC2)cc1 ZINC000031938722 356772754 /nfs/dbraw/zinc/77/27/54/356772754.db2.gz FSVZPKWRXWZRQY-GFCCVEGCSA-N 1 0 263.337 1.846 40 0 CDABRO [NH3+]C[C@@H]1OC(=O)C(Oc2ccccc2)=C1Br ZINC000034791369 356820035 /nfs/dbraw/zinc/82/00/35/356820035.db2.gz JNGHSBWNNZLYAY-QMMMGPOBSA-N 1 0 284.109 1.556 40 0 CDABRO CCS(=O)(=O)N1CCN(C)[C@H](c2ccccc2OC)C1 ZINC000036132227 356861556 /nfs/dbraw/zinc/86/15/56/356861556.db2.gz RDTXCIFTQDFQAD-ZDUSSCGKSA-N 1 0 298.408 1.333 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000079409495 356992034 /nfs/dbraw/zinc/99/20/34/356992034.db2.gz UWZKUJZFNNRYNC-WDEREUQCSA-N 1 0 285.388 1.097 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@@H]1CC[N@H+](CCO)C1)C1CC1 ZINC000079408190 356992048 /nfs/dbraw/zinc/99/20/48/356992048.db2.gz PPFICRCNTMBZCF-GFCCVEGCSA-N 1 0 284.400 1.700 40 0 CDABRO C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079415994 356994938 /nfs/dbraw/zinc/99/49/38/356994938.db2.gz NRIFDBSDRALQHL-CQSZACIVSA-N 1 0 262.353 1.525 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)Cc1ccnc(Br)c1 ZINC000079421629 356996812 /nfs/dbraw/zinc/99/68/12/356996812.db2.gz OZQUEGKHYQMYNW-ZETCQYMHSA-N 1 0 272.146 1.150 40 0 CDABRO C[NH+](C)CCCNC(=O)CCc1ccc(F)cc1 ZINC000062066091 357467811 /nfs/dbraw/zinc/46/78/11/357467811.db2.gz CHXFFGVLXRMHLB-UHFFFAOYSA-N 1 0 252.333 1.826 40 0 CDABRO O=C(Nc1cccc2ccccc21)N1CCN(CCO)CC1 ZINC000019597513 358107197 /nfs/dbraw/zinc/10/71/97/358107197.db2.gz NVQUYEWKMUYYNM-UHFFFAOYSA-N 1 0 299.374 1.982 40 0 CDABRO COC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000082334530 358160970 /nfs/dbraw/zinc/16/09/70/358160970.db2.gz ZXEXAKWRDSSWMC-GFCCVEGCSA-N 1 0 276.336 1.754 40 0 CDABRO COC[C@H]1Cn2ncnc2C[N@H+](CC2CCC2)C1 ZINC000096189203 358714814 /nfs/dbraw/zinc/71/48/14/358714814.db2.gz RTFAVJAAOIAEMF-GFCCVEGCSA-N 1 0 250.346 1.156 40 0 CDABRO C[C@H]1NC(=O)COC12CC[NH+](Cc1cccs1)CC2 ZINC000096201468 358718112 /nfs/dbraw/zinc/71/81/12/358718112.db2.gz CRXPSUNRRPFJRI-LLVKDONJSA-N 1 0 280.393 1.618 40 0 CDABRO c1ncn2c1C[NH2+]C[C@@H](COCC1CCOCC1)C2 ZINC000096209713 358721329 /nfs/dbraw/zinc/72/13/29/358721329.db2.gz NGCQQWOTCSQLSU-CYBMUJFWSA-N 1 0 265.357 1.046 40 0 CDABRO C[C@H](O)C[NH+]1CCC2(C[C@@H](c3cccnc3)CO2)CC1 ZINC000096220305 358722802 /nfs/dbraw/zinc/72/28/02/358722802.db2.gz FCZYMEQHPFLEHZ-DZGCQCFKSA-N 1 0 276.380 1.801 40 0 CDABRO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@H+](CC(C)C)C[C@H]1O2 ZINC000096252960 358727799 /nfs/dbraw/zinc/72/77/99/358727799.db2.gz ZMLXNQLECUBLDM-HZSPNIEDSA-N 1 0 268.401 1.504 40 0 CDABRO CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(c1cnccn1)C2 ZINC000096255847 358728335 /nfs/dbraw/zinc/72/83/35/358728335.db2.gz AIBASEGUIJNWSW-UHFFFAOYSA-N 1 0 286.383 1.603 40 0 CDABRO CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCOC1)C2 ZINC000096268684 358731000 /nfs/dbraw/zinc/73/10/00/358731000.db2.gz PUYPJOXZVGIAHE-GJZGRUSLSA-N 1 0 266.385 1.357 40 0 CDABRO CN(CCc1ccc2c(c1)CCO2)CCS(C)(=O)=O ZINC000075712555 359941379 /nfs/dbraw/zinc/94/13/79/359941379.db2.gz APYIWTFTRWFSQI-UHFFFAOYSA-N 1 0 283.393 1.140 40 0 CDABRO Cc1cccc(OC[C@@H](O)C[NH2+]C(C)(C)CO)c1 ZINC000016779306 373852248 /nfs/dbraw/zinc/85/22/48/373852248.db2.gz MPWOARPYSXPQSK-LBPRGKRZSA-N 1 0 253.342 1.095 40 0 CDABRO CCOc1cc(N2CC[NH2+]CC2)nc(SC)n1 ZINC000079441781 374407312 /nfs/dbraw/zinc/40/73/12/374407312.db2.gz UXKXCUKAKFAMBU-UHFFFAOYSA-N 1 0 254.359 1.007 40 0 CDABRO COc1ccc(OC)c([C@@H](C[NH3+])N2CCOCC2)c1 ZINC000019796346 374791201 /nfs/dbraw/zinc/79/12/01/374791201.db2.gz GUGVZBRWYKIBAN-CYBMUJFWSA-N 1 0 266.341 1.036 40 0 CDABRO O=C1c2cccn2[C@@H]2C[NH2+]C[C@@H]2N1Cc1ccccc1 ZINC000306124841 374967243 /nfs/dbraw/zinc/96/72/43/374967243.db2.gz CATAUEMTKPLIJY-CABCVRRESA-N 1 0 267.332 1.657 40 0 CDABRO [NH3+]C[C@H](c1c(F)cccc1Cl)N1CCOCC1 ZINC000019796276 375503918 /nfs/dbraw/zinc/50/39/18/375503918.db2.gz NQMWWIVPSDGTBH-LLVKDONJSA-N 1 0 258.724 1.811 40 0 CDABRO COCCC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256054724 190005412 /nfs/dbraw/zinc/00/54/12/190005412.db2.gz XMRTVYCHBGJDEH-UHFFFAOYSA-N 1 0 251.252 1.565 40 0 CDABRO C[NH+]1CCC(c2cncc(Nc3ncccn3)n2)CC1 ZINC000257215982 190013930 /nfs/dbraw/zinc/01/39/30/190013930.db2.gz CSOJIBMPZONJEL-UHFFFAOYSA-N 1 0 270.340 1.819 40 0 CDABRO CN(C)C(=O)c1cc(C[C@@H]2CCC[N@H+](C)C2)ncn1 ZINC000257245325 190019097 /nfs/dbraw/zinc/01/90/97/190019097.db2.gz IOZFFGABJOVZBG-NSHDSACASA-N 1 0 262.357 1.063 40 0 CDABRO CCc1cc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)no1 ZINC000257245950 190019166 /nfs/dbraw/zinc/01/91/66/190019166.db2.gz IRVCOGNGAPOFCM-SMDDNHRTSA-N 1 0 277.368 1.841 40 0 CDABRO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000257244158 190019292 /nfs/dbraw/zinc/01/92/92/190019292.db2.gz IKDRWRMUHCNPSL-CYBMUJFWSA-N 1 0 273.384 1.906 40 0 CDABRO CN(C)C(=O)c1cc(C[C@H]2CCC[N@H+](C)CC2)ncn1 ZINC000257244477 190019301 /nfs/dbraw/zinc/01/93/01/190019301.db2.gz ILNFRUDJERQDPT-LBPRGKRZSA-N 1 0 276.384 1.453 40 0 CDABRO CC(C)([NH3+])C(=O)N1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257255853 190021964 /nfs/dbraw/zinc/02/19/64/190021964.db2.gz KJCPSPUSNUNEPO-KWCYVHTRSA-N 1 0 289.379 1.435 40 0 CDABRO CCOC(=O)[C@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217987793 375771912 /nfs/dbraw/zinc/77/19/12/375771912.db2.gz HMHXGAGTKLGKGK-OCCSQVGLSA-N 1 0 297.376 1.049 40 0 CDABRO O=C(N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccsc1 ZINC000257285621 190026925 /nfs/dbraw/zinc/02/69/25/190026925.db2.gz PHZMGGTYAHBERB-JHJVBQTASA-N 1 0 280.393 1.466 40 0 CDABRO Cc1ccc(C2(O)CC[NH+]([C@H]3COC[C@H]3O)CC2)cc1 ZINC000257300656 190028948 /nfs/dbraw/zinc/02/89/48/190028948.db2.gz RVEVTJMCJYCIJM-LSDHHAIUSA-N 1 0 277.364 1.038 40 0 CDABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2cc[nH]n2)n1 ZINC000257305875 190031129 /nfs/dbraw/zinc/03/11/29/190031129.db2.gz SRXDHBRXSQDVEB-CQSZACIVSA-N 1 0 286.383 1.598 40 0 CDABRO COc1cccc(C(=O)N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC000063527609 378303684 /nfs/dbraw/zinc/30/36/84/378303684.db2.gz RKFJSDNYIQQSQM-CHWSQXEVSA-N 1 0 260.337 1.329 40 0 CDABRO COC[C@@H]1C[N@H+](CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060043 285299901 /nfs/dbraw/zinc/29/99/01/285299901.db2.gz XXMLPTPFYTWZGF-AWEZNQCLSA-N 1 0 279.384 1.392 40 0 CDABRO COc1cccc(CC(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3C)c1 ZINC000096184256 256814784 /nfs/dbraw/zinc/81/47/84/256814784.db2.gz VZVUQHGVSNWNSS-LSDHHAIUSA-N 1 0 274.364 1.543 40 0 CDABRO O=C1N(c2cccnc2)CC12CC[NH+](CC1CC1)CC2 ZINC000096202961 256822939 /nfs/dbraw/zinc/82/29/39/256822939.db2.gz DIHNLSIKPIODAM-UHFFFAOYSA-N 1 0 271.364 1.920 40 0 CDABRO O=C(N[C@H]1COCCC12CC[NH+](C1CCC1)CC2)C1CC1 ZINC000096216945 256825665 /nfs/dbraw/zinc/82/56/65/256825665.db2.gz AEHLRIDCEXQQPW-HNNXBMFYSA-N 1 0 292.423 1.936 40 0 CDABRO COc1cc(NC[C@H]2C[C@H]2C[NH3+])cc(OC)c1OC ZINC000096509420 390529459 /nfs/dbraw/zinc/52/94/59/390529459.db2.gz LOFDRLWZYWIXDB-VHSXEESVSA-N 1 0 266.341 1.719 40 0 CDABRO Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1[C@@H](C)O ZINC000072223705 390624267 /nfs/dbraw/zinc/62/42/67/390624267.db2.gz SQEDWHSCBMRIAE-CYBMUJFWSA-N 1 0 263.385 1.974 40 0 CDABRO Cc1nc(N2CC[NH2+]CC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224625 390624782 /nfs/dbraw/zinc/62/47/82/390624782.db2.gz MSAZOEASBUKZDX-KRWDZBQOSA-N 1 0 283.375 1.881 40 0 CDABRO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)O1 ZINC000096056406 390912455 /nfs/dbraw/zinc/91/24/55/390912455.db2.gz UBPJPONUSDNRFF-RBSFLKMASA-N 1 0 296.411 1.123 40 0 CDABRO Cc1cccc(OC[C@H](O)C[NH2+]C(C)(C)CO)c1 ZINC000016779308 170712480 /nfs/dbraw/zinc/71/24/80/170712480.db2.gz MPWOARPYSXPQSK-GFCCVEGCSA-N 1 0 253.342 1.095 40 0 CDABRO COc1cccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000022161712 171364372 /nfs/dbraw/zinc/36/43/72/171364372.db2.gz SUUAHXZFOMJMML-MBNYWOFBSA-N 1 0 294.395 1.813 40 0 CDABRO COc1cccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022163617 171364740 /nfs/dbraw/zinc/36/47/40/171364740.db2.gz NIWVOHGOFAIGBA-ZOWXZIJZSA-N 1 0 264.369 1.804 40 0 CDABRO CC[NH+]1CCN([C@H](C)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000022585903 171392940 /nfs/dbraw/zinc/39/29/40/171392940.db2.gz IOZKOQRPGKNAOG-ZIAGYGMSSA-N 1 0 267.417 1.271 40 0 CDABRO C[C@@H]([NH2+]CCN(C)C)C(=O)N1CCc2ccccc21 ZINC000022586172 171393349 /nfs/dbraw/zinc/39/33/49/171393349.db2.gz NHSODKFYYNGQJT-GFCCVEGCSA-N 1 0 261.369 1.115 40 0 CDABRO C[NH+](C)CCNC(=O)c1ccc(Oc2ncccn2)cc1 ZINC000070642243 175999149 /nfs/dbraw/zinc/99/91/49/175999149.db2.gz CJHFTIRWHKPXOY-UHFFFAOYSA-N 1 0 286.335 1.560 40 0 CDABRO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cccs1 ZINC000072203297 176341673 /nfs/dbraw/zinc/34/16/73/176341673.db2.gz MHAZBZGQGBDIOB-SECBINFHSA-N 1 0 260.384 1.121 40 0 CDABRO Cn1nccc1C(=O)N[C@@H]1CCCC[C@H]1C[NH+](C)C ZINC000072245578 176350088 /nfs/dbraw/zinc/35/00/88/176350088.db2.gz HEDDMWVILPHQQM-NWDGAFQWSA-N 1 0 264.373 1.270 40 0 CDABRO CNC(=O)[C@@]1(CCCc2ccccn2)CCCC[NH2+]1 ZINC000072343780 176372312 /nfs/dbraw/zinc/37/23/12/176372312.db2.gz TWRCFWJEDHNZLI-HNNXBMFYSA-N 1 0 261.369 1.663 40 0 CDABRO Cn1cnnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000072363794 176378069 /nfs/dbraw/zinc/37/80/69/176378069.db2.gz LILLBSZXPLUILK-UHFFFAOYSA-N 1 0 257.341 1.590 40 0 CDABRO Cc1nccc(C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000072364264 176379007 /nfs/dbraw/zinc/37/90/07/176379007.db2.gz XEURXLKBMBEVFY-UHFFFAOYSA-N 1 0 271.368 1.898 40 0 CDABRO Cc1nnc(C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000072367450 176381837 /nfs/dbraw/zinc/38/18/37/176381837.db2.gz YXJYMIZPLSQURK-CHWSQXEVSA-N 1 0 265.357 1.861 40 0 CDABRO CC(=O)N1CC[N@@H+](C)C[C@@H](COc2ccccc2)C1 ZINC000072374463 176385127 /nfs/dbraw/zinc/38/51/27/176385127.db2.gz PHYBICMTHJIBAE-CQSZACIVSA-N 1 0 262.353 1.476 40 0 CDABRO CNc1cc(Nc2nccc([C@H]3CCC[N@@H+]3C)n2)ncn1 ZINC000072377383 176385801 /nfs/dbraw/zinc/38/58/01/176385801.db2.gz AHMXFBLIUWHOCG-LLVKDONJSA-N 1 0 285.355 1.819 40 0 CDABRO CCn1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(C)n1 ZINC000072397555 176394746 /nfs/dbraw/zinc/39/47/46/176394746.db2.gz INJWRBVZHZPBNK-IUODEOHRSA-N 1 0 262.401 1.880 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079407940 177481263 /nfs/dbraw/zinc/48/12/63/177481263.db2.gz IFMLFCNPENGUCS-RYUDHWBXSA-N 1 0 272.389 1.746 40 0 CDABRO CCN(C(C)=O)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000242701550 261269229 /nfs/dbraw/zinc/26/92/29/261269229.db2.gz WHPDOPYAWKRBIG-IHRRRGAJSA-N 1 0 283.416 1.266 40 0 CDABRO O=C([C@@H]1CCC2(CC[NH2+]CC2)CO1)N1CCCC1 ZINC000096224922 265334246 /nfs/dbraw/zinc/33/42/46/265334246.db2.gz HIIBOMURZGSHEO-LBPRGKRZSA-N 1 0 252.358 1.158 40 0 CDABRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100809498 282058954 /nfs/dbraw/zinc/05/89/54/282058954.db2.gz WVOPMTLREPZUBO-TXEJJXNPSA-N 1 0 299.415 1.500 40 0 CDABRO NC(=O)[C@]1(c2cnccn2)CCC[N@@H+]1CC1CCCCC1 ZINC000257234044 295168046 /nfs/dbraw/zinc/16/80/46/295168046.db2.gz GRWBQBGTWJGDCR-MRXNPFEDSA-N 1 0 288.395 1.833 40 0 CDABRO CC[C@H](C)[C@@](C)(O)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000132948798 323211094 /nfs/dbraw/zinc/21/10/94/323211094.db2.gz CBJRJCWNSRRCPY-LLGZUXRYSA-N 1 0 270.417 1.820 40 0 CDABRO Cc1ncsc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000682556429 483285746 /nfs/dbraw/zinc/28/57/46/483285746.db2.gz JBNZVESHSFILGY-JBLDHEPKSA-N 1 0 265.382 1.537 40 0 CDABRO COc1cc(Br)c(CC(N)=[NH2+])cc1OC ZINC000228949436 522021685 /nfs/dbraw/zinc/02/16/85/522021685.db2.gz YKANLPWUMDSEFE-UHFFFAOYSA-N 1 0 273.130 1.945 40 0 CDABRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2cccnn2)C1 ZINC000930346992 776880482 /nfs/dbraw/zinc/88/04/82/776880482.db2.gz LSBMFSWSQCUTIT-CYBMUJFWSA-N 1 0 289.383 1.672 40 0 CDABRO CC(C)(C)OC(=O)N1C=C(N)C=C[C@@H]1C1CC[NH2+]CC1 ZINC000100452044 342049396 /nfs/dbraw/zinc/04/93/96/342049396.db2.gz XBJGIPNETRLGQH-CYBMUJFWSA-N 1 0 279.384 1.962 40 0 CDABRO Cc1ccc(C[NH2+]C[C@H]2COCc3c(C)nnn3C2)s1 ZINC000096061116 185082803 /nfs/dbraw/zinc/08/28/03/185082803.db2.gz IMQUCPHEUJTNKI-GFCCVEGCSA-N 1 0 292.408 1.893 40 0 CDABRO CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccoc2)C1 ZINC000096083187 185092753 /nfs/dbraw/zinc/09/27/53/185092753.db2.gz TYYGCGOJENKWQE-BFHYXJOUSA-N 1 0 278.352 1.347 40 0 CDABRO CCCC[N@@H+]1CCC[C@@]2(CC(C(=O)NC)=NO2)C1 ZINC000585101297 342212348 /nfs/dbraw/zinc/21/23/48/342212348.db2.gz WGPJCZKHPTWNIZ-CYBMUJFWSA-N 1 0 253.346 1.143 40 0 CDABRO O[C@]1(COc2ccccc2)COCC[N@H+](CC2CC2)C1 ZINC000585269338 342254538 /nfs/dbraw/zinc/25/45/38/342254538.db2.gz PRNYYJORBQDVMW-INIZCTEOSA-N 1 0 277.364 1.539 40 0 CDABRO CCc1ncc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)cn1 ZINC000585285304 342258685 /nfs/dbraw/zinc/25/86/85/342258685.db2.gz XJGKXFWHAAWYCR-HNNXBMFYSA-N 1 0 275.352 1.711 40 0 CDABRO NNc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000016806785 356447201 /nfs/dbraw/zinc/44/72/01/356447201.db2.gz YJDXDDALWLOTOT-UHFFFAOYSA-N 1 0 260.688 1.755 40 0 CDABRO COCCC[NH2+][C@@H]1CCN(Cc2cccc(F)c2)C[C@H]1O ZINC000036739950 356879747 /nfs/dbraw/zinc/87/97/47/356879747.db2.gz BBIRAHZIZGASKS-HZPDHXFCSA-N 1 0 296.386 1.387 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079408606 356991972 /nfs/dbraw/zinc/99/19/72/356991972.db2.gz KATVMCCUPJFUHQ-CYBMUJFWSA-N 1 0 283.416 1.809 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CC[C@@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079409859 356992514 /nfs/dbraw/zinc/99/25/14/356992514.db2.gz NTDGNDBPYIFROP-CMPLNLGQSA-N 1 0 297.399 1.334 40 0 CDABRO O=C(NC[C@H]1CCC[N@H+]1CCO)OCc1ccccc1 ZINC000079410866 356993495 /nfs/dbraw/zinc/99/34/95/356993495.db2.gz PKCBVRHWEFPIIV-CQSZACIVSA-N 1 0 278.352 1.370 40 0 CDABRO CC(=O)N(C(C)C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079417748 356995758 /nfs/dbraw/zinc/99/57/58/356995758.db2.gz CDMZWCASOCCJIS-WCFLWFBJSA-N 1 0 269.389 1.018 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1nccnc1Cl)C(C)C ZINC000079435786 356996519 /nfs/dbraw/zinc/99/65/19/356996519.db2.gz WMOFTDMAIMVDAK-NSHDSACASA-N 1 0 284.791 1.850 40 0 CDABRO C[NH+](C)CC(C)(C)C[NH2+]CCC(=O)OC(C)(C)C ZINC000047219003 357154321 /nfs/dbraw/zinc/15/43/21/357154321.db2.gz FLYMYUNKKYSENY-UHFFFAOYSA-N 1 0 258.406 1.896 40 0 CDABRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000053203107 357285618 /nfs/dbraw/zinc/28/56/18/357285618.db2.gz PWPNGKIKOSIFEJ-LLVKDONJSA-N 1 0 272.345 1.198 40 0 CDABRO CCOC(=O)Cn1nc(C)c([C@H]2CCC[NH2+]2)c1C ZINC000217458397 357494530 /nfs/dbraw/zinc/49/45/30/357494530.db2.gz CRMFBRALCFVUGI-LLVKDONJSA-N 1 0 251.330 1.488 40 0 CDABRO CC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](CC)CC1 ZINC000019500595 358097112 /nfs/dbraw/zinc/09/71/12/358097112.db2.gz FKXQJMQOVJYOKD-CQSZACIVSA-N 1 0 292.431 1.877 40 0 CDABRO CC(=O)N1CC2(C1)C[C@H](COCc1ccncc1)C[N@H+]2C ZINC000585093864 358098519 /nfs/dbraw/zinc/09/85/19/358098519.db2.gz LLHWWQFVDDBVNZ-HNNXBMFYSA-N 1 0 289.379 1.151 40 0 CDABRO [NH3+]C[C@H](O)COCc1ccc(F)c(Br)c1 ZINC000095096260 366435352 /nfs/dbraw/zinc/43/53/52/366435352.db2.gz BKMJEKKGHKGSPQ-QMMMGPOBSA-N 1 0 278.121 1.424 40 0 CDABRO CN(C)[C@@H]1CC[N@@H+](C2CCOCC2)[C@H]1Cc1cccnc1 ZINC000096200857 358718185 /nfs/dbraw/zinc/71/81/85/358718185.db2.gz USBJSKJAQDVYPX-SJORKVTESA-N 1 0 289.423 1.808 40 0 CDABRO COC[C@H]1CCC2(CCN(C(=O)N3CCCC3)CC2)[N@@H+]1C ZINC000096209081 358720289 /nfs/dbraw/zinc/72/02/89/358720289.db2.gz JDLUKMWDWWOWPB-CQSZACIVSA-N 1 0 295.427 1.777 40 0 CDABRO CCOC[C@H]1CC2(CO1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096209306 358721161 /nfs/dbraw/zinc/72/11/61/358721161.db2.gz GIMNHZGXXYLBSG-OAHLLOKOSA-N 1 0 293.411 1.828 40 0 CDABRO CC[N@@H+]1C[C@H](COC)[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000096216497 358721323 /nfs/dbraw/zinc/72/13/23/358721323.db2.gz VSPVUHDRYIXNMY-NVXWUHKLSA-N 1 0 292.423 1.769 40 0 CDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1ccco1)CC[C@H]2OC ZINC000096209322 358721490 /nfs/dbraw/zinc/72/14/90/358721490.db2.gz YGXOIRMOJABJFT-ARFHVFGLSA-N 1 0 294.395 1.447 40 0 CDABRO CCN1CC[C@@]2(CCC[N@H+](C[C@@H]3CCOC3)C2)C1=O ZINC000096223835 358722758 /nfs/dbraw/zinc/72/27/58/358722758.db2.gz MXXXYCCCNQEWCF-DZGCQCFKSA-N 1 0 266.385 1.357 40 0 CDABRO CN1CCNC(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000096230012 358723678 /nfs/dbraw/zinc/72/36/78/358723678.db2.gz YRSIUMUZTONKGX-UHFFFAOYSA-N 1 0 279.409 1.144 40 0 CDABRO CC(C)Nc1ncnc2c1CC[N@@H+](C1CCOCC1)CC2 ZINC000096255543 358728723 /nfs/dbraw/zinc/72/87/23/358728723.db2.gz DQPGLFATHRFXAF-UHFFFAOYSA-N 1 0 290.411 1.877 40 0 CDABRO CNC(=O)c1cc2c(nc1NCC(C)C)CC[NH2+]CC2 ZINC000096260492 358729712 /nfs/dbraw/zinc/72/97/12/358729712.db2.gz DOBPGNLNPZNZPI-UHFFFAOYSA-N 1 0 276.384 1.197 40 0 CDABRO C1=C[C@@H]2[C@@H](C[C@H]2[NH2+]CCc2nnc3ccccn32)C1 ZINC000216028175 366518570 /nfs/dbraw/zinc/51/85/70/366518570.db2.gz GXMVTAFHYUDMKT-JHJVBQTASA-N 1 0 254.337 1.826 40 0 CDABRO O=C(Cc1ccccc1Br)NCC[NH2+]C1CC1 ZINC000151552924 359194100 /nfs/dbraw/zinc/19/41/00/359194100.db2.gz FQCKIYUTJXDNNB-UHFFFAOYSA-N 1 0 297.196 1.860 40 0 CDABRO [NH3+]C[C@@H]1CCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000222537384 359352075 /nfs/dbraw/zinc/35/20/75/359352075.db2.gz MDABVFKBAGAQCW-NSHDSACASA-N 1 0 274.773 1.203 40 0 CDABRO COc1ccc([C@@H]2CN(C(C)=O)[C@@H]3CCC[NH2+][C@@H]23)cc1 ZINC000409412906 364093584 /nfs/dbraw/zinc/09/35/84/364093584.db2.gz UNXRUBYHEBJKRZ-XHSDSOJGSA-N 1 0 274.364 1.762 40 0 CDABRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccnc2ccncc21 ZINC000333304428 205201344 /nfs/dbraw/zinc/20/13/44/205201344.db2.gz QOQUZFVCSUPXGH-CYBMUJFWSA-N 1 0 270.336 1.500 40 0 CDABRO CC(C)[NH2+]C[C@@H](O)c1ccc(Br)cn1 ZINC000130121237 374043340 /nfs/dbraw/zinc/04/33/40/374043340.db2.gz FOVOGJOPZITAFM-SNVBAGLBSA-N 1 0 259.147 1.876 40 0 CDABRO CC(C)CCC1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000225489887 374496810 /nfs/dbraw/zinc/49/68/10/374496810.db2.gz BPXRFISPDIQYDR-UONOGXRCSA-N 1 0 268.401 1.384 40 0 CDABRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1C(C)=CCC[C@@H]1C ZINC000225516247 374637896 /nfs/dbraw/zinc/63/78/96/374637896.db2.gz GVMYSEUEEJARIT-CRWXNKLISA-N 1 0 267.369 1.587 40 0 CDABRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccc(-n2cccn2)c1 ZINC000080723889 374982266 /nfs/dbraw/zinc/98/22/66/374982266.db2.gz RENGXXZJUCAFPF-IUODEOHRSA-N 1 0 284.363 1.802 40 0 CDABRO c1ccc(COC[C@@]23CCCO[C@@H]2CC[NH2+]C3)nc1 ZINC000306143473 374972334 /nfs/dbraw/zinc/97/23/34/374972334.db2.gz YDBHIZUJFQLFHF-CABCVRRESA-N 1 0 262.353 1.757 40 0 CDABRO O=C(c1ccc2c(c1)OCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932880 375162582 /nfs/dbraw/zinc/16/25/82/375162582.db2.gz IFOPIPXPEHXBCY-LBPRGKRZSA-N 1 0 274.320 1.336 40 0 CDABRO C[NH+](C)CCCNC(=O)[C@@]1(C)CC(c2cccs2)=NO1 ZINC000226747844 375393221 /nfs/dbraw/zinc/39/32/21/375393221.db2.gz GQSWGPOVXZIKKD-CQSZACIVSA-N 1 0 295.408 1.699 40 0 CDABRO O=C(c1cnccn1)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257234944 190017108 /nfs/dbraw/zinc/01/71/08/190017108.db2.gz GVSLLYBDXAFUPN-YPMHNXCESA-N 1 0 260.341 1.223 40 0 CDABRO Cn1cncc1-c1cncc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000257220164 190014440 /nfs/dbraw/zinc/01/44/40/190014440.db2.gz DJUXJYYIGJLKQC-LBPRGKRZSA-N 1 0 287.367 1.049 40 0 CDABRO Cn1nccc1-c1nccnc1C1CC[NH+](C)CC1 ZINC000257236648 190018065 /nfs/dbraw/zinc/01/80/65/190018065.db2.gz HDBQTKFRZIZYQO-UHFFFAOYSA-N 1 0 257.341 1.686 40 0 CDABRO Cc1nc2ccccn2c1CC(=O)N1CCC[N@@H+](C)CC1 ZINC000257236368 190018154 /nfs/dbraw/zinc/01/81/54/190018154.db2.gz HBVISASTDWMVDS-UHFFFAOYSA-N 1 0 286.379 1.349 40 0 CDABRO Cc1c[nH]c([C@@H]2CC[N@H+](CC3(O)CCOCC3)C2)n1 ZINC000257276972 190025703 /nfs/dbraw/zinc/02/57/03/190025703.db2.gz NVXSEFOUSOWRAO-GFCCVEGCSA-N 1 0 265.357 1.049 40 0 CDABRO NC(=O)C[N@H+]1C[C@@H]2[C@@H](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000257290740 190027412 /nfs/dbraw/zinc/02/74/12/190027412.db2.gz QECUECQJCNGOEF-UMVBOHGHSA-N 1 0 276.355 1.812 40 0 CDABRO CN(C)C(=O)[C@@]1(C)CCC[N@H+](Cc2nccn2C)C1 ZINC000257293123 190028580 /nfs/dbraw/zinc/02/85/80/190028580.db2.gz QOFBDSUWSYHNTG-AWEZNQCLSA-N 1 0 264.373 1.110 40 0 CDABRO C[NH+](C)[C@H]1CCN(C(=O)Cc2cccs2)CC[C@@H]1O ZINC000257301650 190030656 /nfs/dbraw/zinc/03/06/56/190030656.db2.gz RZGPBUYCXSBARS-STQMWFEESA-N 1 0 282.409 1.204 40 0 CDABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CC2CC2)cc1 ZINC000257344571 533147253 /nfs/dbraw/zinc/14/72/53/533147253.db2.gz ZXVWUWDUFJZYRZ-HNNXBMFYSA-N 1 0 274.364 1.968 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391219 390421119 /nfs/dbraw/zinc/42/11/19/390421119.db2.gz REDRTODBLIBYAX-WDEREUQCSA-N 1 0 285.388 1.192 40 0 CDABRO CC(=O)N1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216155 390620604 /nfs/dbraw/zinc/62/06/04/390620604.db2.gz NCLJNBPURGSVCK-CQSZACIVSA-N 1 0 275.352 1.602 40 0 CDABRO Cn1cnc(C(=O)N2CCC3(CC([NH+](C)C)C3)CC2)c1 ZINC000108525749 390613053 /nfs/dbraw/zinc/61/30/53/390613053.db2.gz YAWRZULQSWFVSB-UHFFFAOYSA-N 1 0 276.384 1.367 40 0 CDABRO CN(C)C(=O)[C@H]1CN(C)CC[N@@H+](C2CCCCC2)C1 ZINC000257340453 391649665 /nfs/dbraw/zinc/64/96/65/391649665.db2.gz ZGFKFMJTAAPYTP-ZDUSSCGKSA-N 1 0 267.417 1.271 40 0 CDABRO COCC[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000005000524 170052624 /nfs/dbraw/zinc/05/26/24/170052624.db2.gz DIKRXJIKJQGSST-UHFFFAOYSA-N 1 0 292.257 1.760 40 0 CDABRO CC[NH+](CC)C[C@@H](O)CSc1ncnc2[nH]cnc21 ZINC000005314222 170085308 /nfs/dbraw/zinc/08/53/08/170085308.db2.gz PFUOICDAFJWUCT-SECBINFHSA-N 1 0 281.385 1.148 40 0 CDABRO Cc1ccnc(NC(=S)NCCC[NH+](C)C)c1 ZINC000007143325 170268689 /nfs/dbraw/zinc/26/86/89/170268689.db2.gz WFURLYGLZLCRNF-UHFFFAOYSA-N 1 0 252.387 1.628 40 0 CDABRO O=C1N(Cc2ccccc2F)CC[C@@]12CCC[NH2+]C2 ZINC000023509073 171422771 /nfs/dbraw/zinc/42/27/71/171422771.db2.gz BCKIXMSLJIFNEA-OAHLLOKOSA-N 1 0 262.328 1.928 40 0 CDABRO O=C(C[NH2+]C1CCCC1)NCc1ccc2c(c1)OCO2 ZINC000035311508 172122086 /nfs/dbraw/zinc/12/20/86/172122086.db2.gz STGDRQCSEGTCBP-UHFFFAOYSA-N 1 0 276.336 1.564 40 0 CDABRO NC(=O)[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000037514981 173246495 /nfs/dbraw/zinc/24/64/95/173246495.db2.gz GANJSHLSGIRGJH-AWEZNQCLSA-N 1 0 256.305 1.751 40 0 CDABRO COCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832978 174157238 /nfs/dbraw/zinc/15/72/38/174157238.db2.gz QFPYHQWMPGULOQ-OAHLLOKOSA-N 1 0 276.380 1.661 40 0 CDABRO Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCC[NH2+]2)n1 ZINC000072344293 176373211 /nfs/dbraw/zinc/37/32/11/176373211.db2.gz JGBOMFKNQAAZJE-GFCCVEGCSA-N 1 0 262.357 1.230 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2ncccc2c1 ZINC000072397657 176395023 /nfs/dbraw/zinc/39/50/23/176395023.db2.gz UMAJYNWLGRKJFT-XOKHGSTOSA-N 1 0 297.402 1.874 40 0 CDABRO OC[C@@H]1CCC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000072397801 176395564 /nfs/dbraw/zinc/39/55/64/176395564.db2.gz NVYCAEJWPWCUKR-CYBMUJFWSA-N 1 0 257.337 1.834 40 0 CDABRO COc1ccc(C[NH2+][C@@H]2CCC(=O)NC2)c(OC)c1OC ZINC000078553524 177353993 /nfs/dbraw/zinc/35/39/93/177353993.db2.gz BPAOAGSUXCWMER-LLVKDONJSA-N 1 0 294.351 1.081 40 0 CDABRO COC(=O)[C@H]1C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072398070 277387291 /nfs/dbraw/zinc/38/72/91/277387291.db2.gz XNWMGKAGYXRTAI-VNHYZAJKSA-N 1 0 273.332 1.782 40 0 CDABRO C[C@H](CN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000072397652 279324137 /nfs/dbraw/zinc/32/41/37/279324137.db2.gz XNDXTISCGFIKDH-MUIFIZLQSA-N 1 0 274.408 1.929 40 0 CDABRO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](CC1CC1)C2 ZINC000096111911 290320521 /nfs/dbraw/zinc/32/05/21/290320521.db2.gz GVUWUMXLIDOZTJ-JSGCOSHPSA-N 1 0 272.348 1.895 40 0 biogenic,in-vitro CDABRO CO[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[C@H]1C ZINC000230243495 536724721 /nfs/dbraw/zinc/72/47/21/536724721.db2.gz PCBLDZHLBYGNHO-UHOFOFEASA-N 1 0 288.391 1.584 40 0 CDABRO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCc2ncncc2C1 ZINC000897517938 620894858 /nfs/dbraw/zinc/89/48/58/620894858.db2.gz AIXUUNBBBJHSQN-LBPRGKRZSA-N 1 0 289.383 1.029 40 0 CDABRO C[NH+](C)CCNC(=O)COc1cccc2c1CCCC2 ZINC000225821892 230399922 /nfs/dbraw/zinc/39/99/22/230399922.db2.gz DUYHOJJKNJDESL-UHFFFAOYSA-N 1 0 276.380 1.622 40 0 CDABRO CC[N@@H+]1CC[C@@]12CCN(Cc1cccnc1OC)C2 ZINC000096075919 185089658 /nfs/dbraw/zinc/08/96/58/185089658.db2.gz JEKKBKOATBSJAI-OAHLLOKOSA-N 1 0 261.369 1.760 40 0 CDABRO COCC[N@@H+]1CC[C@]12CCN(C(=O)c1ccccc1F)C2 ZINC000096075960 185090097 /nfs/dbraw/zinc/09/00/97/185090097.db2.gz NYFSMQLCQCBHKU-INIZCTEOSA-N 1 0 292.354 1.763 40 0 CDABRO COCC[N@@H+]1C[C@H]2CN(Cc3cccc(C)c3)C(=O)[C@H]2C1 ZINC000096080739 185090834 /nfs/dbraw/zinc/09/08/34/185090834.db2.gz BTLHFRRKKGLSPL-HOTGVXAUSA-N 1 0 288.391 1.532 40 0 CDABRO C(OCC1CCOCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000096106068 185098414 /nfs/dbraw/zinc/09/84/14/185098414.db2.gz UWNKWFNEBDYWLI-AWEZNQCLSA-N 1 0 269.385 1.588 40 0 CDABRO COCC[N@@H+]1C[C@H]2CCN(C(=O)c3c(C)noc3C)[C@H]2C1 ZINC000585107667 342212999 /nfs/dbraw/zinc/21/29/99/342212999.db2.gz NOGZLSWUBBWLDB-OLZOCXBDSA-N 1 0 293.367 1.084 40 0 CDABRO CC[NH+](CC)CCNC(=O)c1ccc2cc(N)ccc2n1 ZINC000221447948 342357893 /nfs/dbraw/zinc/35/78/93/342357893.db2.gz HREYBMGUISUQKE-UHFFFAOYSA-N 1 0 286.379 1.889 40 0 CDABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cc(CCO)n(C)n1 ZINC000205700947 348744024 /nfs/dbraw/zinc/74/40/24/348744024.db2.gz OZLZYDAVBIGXHD-CQSZACIVSA-N 1 0 251.374 1.890 40 0 CDABRO CN1CC[C@]2(CCC[N@H+](Cc3ccncc3)CC2)C1=O ZINC000108527015 186220531 /nfs/dbraw/zinc/22/05/31/186220531.db2.gz YVVZNSXPLHKVFO-INIZCTEOSA-N 1 0 273.380 1.916 40 0 CDABRO CS(=O)(=O)NC1CC2(C1)CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000108528025 186221454 /nfs/dbraw/zinc/22/14/54/186221454.db2.gz DETIWEGAMRAYFS-WLYUNCDWSA-N 1 0 298.452 1.746 40 0 CDABRO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cncn1C)C2 ZINC000108535355 186221660 /nfs/dbraw/zinc/22/16/60/186221660.db2.gz CYBPQFWXZUCNMS-GOEBONIOSA-N 1 0 290.411 1.501 40 0 CDABRO COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1F ZINC000122994287 187064192 /nfs/dbraw/zinc/06/41/92/187064192.db2.gz GSGPXQKZBRRSNY-UHFFFAOYSA-N 1 0 266.316 1.658 40 0 CDABRO CC[C@@]1(C(=O)N2CCC[C@H](COC)C2)CCC[NH2+]1 ZINC000134492787 187754309 /nfs/dbraw/zinc/75/43/09/187754309.db2.gz QHHGDGJVCHQNRW-JSGCOSHPSA-N 1 0 254.374 1.404 40 0 CDABRO C[C@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000195531486 363456602 /nfs/dbraw/zinc/45/66/02/363456602.db2.gz VMDZXINKFCTKOC-VGWMRTNUSA-N 1 0 282.428 1.333 40 0 CDABRO C[N@H+](CCO)CCC[C@H]1COc2ccccc2O1 ZINC000001636924 355943182 /nfs/dbraw/zinc/94/31/82/355943182.db2.gz PARIMXMLMWNNGN-LBPRGKRZSA-N 1 0 251.326 1.531 40 0 CDABRO COc1cc2cccnc2c(NCCNC(N)=[NH2+])c1 ZINC000001687522 355947998 /nfs/dbraw/zinc/94/79/98/355947998.db2.gz OHSPCWPLCKXBKQ-UHFFFAOYSA-N 1 0 259.313 1.138 40 0 CDABRO Cc1noc(C)c1CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000019657591 356494254 /nfs/dbraw/zinc/49/42/54/356494254.db2.gz XOCOBZRYTUQDEZ-UHFFFAOYSA-N 1 0 279.384 1.778 40 0 CDABRO Cc1noc(C)c1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063218480 363495655 /nfs/dbraw/zinc/49/56/55/363495655.db2.gz IDNQMHCNAGAVFX-CQSZACIVSA-N 1 0 260.337 1.985 40 0 CDABRO [NH2+]=C1Nc2nc3c(n2[C@@H](c2ccccc2)N1)CCC3 ZINC000040175504 356984733 /nfs/dbraw/zinc/98/47/33/356984733.db2.gz FNEORSLASDQVCQ-LBPRGKRZSA-N 1 0 253.309 1.468 40 0 CDABRO [NH3+]CCN1CC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411370 356993976 /nfs/dbraw/zinc/99/39/76/356993976.db2.gz NMYCCDRRGOHSMV-AWEZNQCLSA-N 1 0 277.368 1.193 40 0 CDABRO C[N@H+](Cc1ccccc1)C1CC[NH+](CC(=O)[O-])CC1 ZINC000079416012 356995395 /nfs/dbraw/zinc/99/53/95/356995395.db2.gz IKFKQDMIGPADPG-UHFFFAOYSA-N 1 0 262.353 1.667 40 0 CDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000067173330 357597230 /nfs/dbraw/zinc/59/72/30/357597230.db2.gz ZMYRJTJFKAEHHZ-MNOVXSKESA-N 1 0 284.153 1.925 40 0 CDABRO C[C@@H]1CCCC[N@@H+]1Cc1ccnc(N2CCOCC2)n1 ZINC000072397370 357832078 /nfs/dbraw/zinc/83/20/78/357832078.db2.gz DOESPACIFNRHPZ-CYBMUJFWSA-N 1 0 276.384 1.688 40 0 CDABRO CC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000082333915 358160239 /nfs/dbraw/zinc/16/02/39/358160239.db2.gz YMSRKWAFXMPVTB-LBPRGKRZSA-N 1 0 275.352 1.925 40 0 CDABRO CS[C@@H]1c2ccccc2N[C@H]1CC[NH2+]CCO ZINC000003159362 358515429 /nfs/dbraw/zinc/51/54/29/358515429.db2.gz QNRFQQVZDARXBO-QWHCGFSZSA-N 1 0 252.383 1.857 40 0 CDABRO C[NH+](C)[C@@H]1CCN(CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000062963769 358761678 /nfs/dbraw/zinc/76/16/78/358761678.db2.gz MXLASISLCBSLFY-GFCCVEGCSA-N 1 0 294.374 1.372 40 0 CDABRO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)s1 ZINC000096184882 358713508 /nfs/dbraw/zinc/71/35/08/358713508.db2.gz JIDMZKFHKFRXEB-OLZOCXBDSA-N 1 0 287.392 1.786 40 0 CDABRO CCOC[C@H]1CCC2(CCN(c3ncccn3)CC2)[N@@H+]1C ZINC000096207113 358720328 /nfs/dbraw/zinc/72/03/28/358720328.db2.gz KWAOHHPLXZJIOQ-CQSZACIVSA-N 1 0 290.411 1.946 40 0 CDABRO O=C1[C@H]2C[N@H+](Cc3ccco3)C[C@H]2CN1Cc1ccncc1 ZINC000096245140 358724623 /nfs/dbraw/zinc/72/46/23/358724623.db2.gz QZXHBZVVGYOPGN-HOCLYGCPSA-N 1 0 297.358 1.765 40 0 CDABRO Cc1ccc(N2C[C@@]3(CC[N@H+](CCO)C3)CC2=O)s1 ZINC000096239443 358724698 /nfs/dbraw/zinc/72/46/98/358724698.db2.gz HWKPXGCVETZKSN-AWEZNQCLSA-N 1 0 280.393 1.478 40 0 CDABRO O=C(c1ccsc1)N1C[C@@H]2[C@H](C1)OCCN2CC1CC1 ZINC000096246462 358725604 /nfs/dbraw/zinc/72/56/04/358725604.db2.gz ZJKZFCLXKHOFJU-KGLIPLIRSA-N 1 0 292.404 1.683 40 0 CDABRO COc1ncnc2c1CC[N@H+](Cc1ccco1)CC2 ZINC000096255554 358728275 /nfs/dbraw/zinc/72/82/75/358728275.db2.gz BTVRWUHERGUYLL-UHFFFAOYSA-N 1 0 259.309 1.679 40 0 CDABRO COCC[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255260 358728859 /nfs/dbraw/zinc/72/88/59/358728859.db2.gz OPZBNHGOPMKMCI-UHFFFAOYSA-N 1 0 284.363 1.586 40 0 CDABRO COc1cccc(-n2ncc3c2nc[nH+]c3NN)c1 ZINC000062203245 359289865 /nfs/dbraw/zinc/28/98/65/359289865.db2.gz RTIYHXZPVUHCNC-UHFFFAOYSA-N 1 0 256.269 1.110 40 0 CDABRO [NH3+]C[C@H]1CCN(Cc2ccc(Cl)cc2F)S1(=O)=O ZINC000222539389 359351630 /nfs/dbraw/zinc/35/16/30/359351630.db2.gz GSULCCWPCBYXTG-SNVBAGLBSA-N 1 0 292.763 1.342 40 0 CDABRO Cc1ccc(C)c(N2CC[C@@H](C[NH3+])S2(=O)=O)c1 ZINC000222540429 359352985 /nfs/dbraw/zinc/35/29/85/359352985.db2.gz KBHHLBSRAVOZRG-NSHDSACASA-N 1 0 254.355 1.171 40 0 CDABRO Cc1nn(C)cc1[C@H](C)Nc1ncnc2c1NC(=O)CN2 ZINC000041121428 359684088 /nfs/dbraw/zinc/68/40/88/359684088.db2.gz TZAKRRCXORWKDZ-ZETCQYMHSA-N 1 0 287.327 1.056 40 0 CDABRO COC[C@@]1(C(=O)N2CCC([C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000333264020 205164843 /nfs/dbraw/zinc/16/48/43/205164843.db2.gz JHECXKNAXJVGNC-GDBMZVCRSA-N 1 0 296.411 1.030 40 0 CDABRO C(OCC1CC1)c1nn(CC2CC2)c2c1C[NH2+]CC2 ZINC000306128025 374967429 /nfs/dbraw/zinc/96/74/29/374967429.db2.gz GNZFGMCXGALGCP-UHFFFAOYSA-N 1 0 261.369 1.865 40 0 CDABRO Cc1ccsc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000225583043 375166489 /nfs/dbraw/zinc/16/64/89/375166489.db2.gz BRUODXIXBZCYDY-DCAQKATOSA-N 1 0 250.367 1.866 40 0 CDABRO O=C(c1ccccc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000225626796 375174089 /nfs/dbraw/zinc/17/40/89/375174089.db2.gz ODLAEIAPODOAPQ-OAHLLOKOSA-N 1 0 274.364 1.358 40 0 CDABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000257200761 190010954 /nfs/dbraw/zinc/01/09/54/190010954.db2.gz AEUIGAITODSFCO-LBPRGKRZSA-N 1 0 287.367 1.347 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cn1 ZINC000257208123 190012637 /nfs/dbraw/zinc/01/26/37/190012637.db2.gz BKWFMYLDFZSEAT-ZDUSSCGKSA-N 1 0 257.341 1.590 40 0 CDABRO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)CC[C@@H]1O ZINC000257234698 190016653 /nfs/dbraw/zinc/01/66/53/190016653.db2.gz GUSRTHSBOLLXQM-GJZGRUSLSA-N 1 0 291.395 1.179 40 0 CDABRO CCn1nccc1-c1nccnc1C[C@@H]1CCC[NH2+]C1 ZINC000257243986 190019546 /nfs/dbraw/zinc/01/95/46/190019546.db2.gz IJKQSDVYENLRHK-LBPRGKRZSA-N 1 0 271.368 1.902 40 0 CDABRO CO[C@H]1CCCOC12CC[NH+](Cc1ccnc(C)n1)CC2 ZINC000257251997 190020169 /nfs/dbraw/zinc/02/01/69/190020169.db2.gz JTEAYBVEZIOPIP-HNNXBMFYSA-N 1 0 291.395 1.945 40 0 CDABRO O=C(N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccsc1 ZINC000257256679 190021954 /nfs/dbraw/zinc/02/19/54/190021954.db2.gz KMLQCYIXQIPEBB-MGPQQGTHSA-N 1 0 294.420 1.856 40 0 CDABRO Cc1ccn(CCC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000257274336 190025044 /nfs/dbraw/zinc/02/50/44/190025044.db2.gz NKOFFLJPVCJEFW-MRXNPFEDSA-N 1 0 298.390 1.755 40 0 CDABRO Cc1nccc(C[C@@H]2COCC[N@@H+](C3CCOCC3)C2)n1 ZINC000257300818 190029003 /nfs/dbraw/zinc/02/90/03/190029003.db2.gz RVUZGPKBAMWBQG-AWEZNQCLSA-N 1 0 291.395 1.455 40 0 CDABRO CC[NH+]1CCC(N2CCO[C@@H](c3cnc(C)cn3)C2)CC1 ZINC000257297912 190029756 /nfs/dbraw/zinc/02/97/56/190029756.db2.gz RJHYJLGPKPEELZ-MRXNPFEDSA-N 1 0 290.411 1.643 40 0 CDABRO CN(C)Cc1c[nH]c([C@H]2CC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257302125 190030038 /nfs/dbraw/zinc/03/00/38/190030038.db2.gz SBQFOSIZFBIEFK-ZDUSSCGKSA-N 1 0 288.399 1.194 40 0 CDABRO O=C(Nc1cc(-c2ccccc2F)[nH]n1)[C@@H]1CC[NH2+]C1 ZINC000257317359 190033063 /nfs/dbraw/zinc/03/30/63/190033063.db2.gz VJLRSTXEBBKTEL-SECBINFHSA-N 1 0 274.299 1.764 40 0 CDABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3cnco3)CCO2)[nH+]1 ZINC000257344984 190037692 /nfs/dbraw/zinc/03/76/92/190037692.db2.gz ZZLLISLLKKNPNO-ZDUSSCGKSA-N 1 0 288.307 1.174 40 0 CDABRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000063527692 378303391 /nfs/dbraw/zinc/30/33/91/378303391.db2.gz XHSZJIQPYHWANT-HNNXBMFYSA-N 1 0 259.353 1.640 40 0 CDABRO COc1ccc([C@H](CNC(C)=O)[NH+]2CCCC2)cc1 ZINC000046868340 378821110 /nfs/dbraw/zinc/82/11/10/378821110.db2.gz HFKGRTAPKUVQLB-HNNXBMFYSA-N 1 0 262.353 1.968 40 0 CDABRO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@H+](CC3CC3)C[C@H]1O2 ZINC000096253131 256835954 /nfs/dbraw/zinc/83/59/54/256835954.db2.gz LOXQBHSDAQDEGD-HZSPNIEDSA-N 1 0 264.369 1.154 40 0 CDABRO CC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079418139 390421832 /nfs/dbraw/zinc/42/18/32/390421832.db2.gz HMORCFYIDHFFMX-KFWWJZLASA-N 1 0 295.427 1.408 40 0 CDABRO CCOC(=O)[C@@H](CN)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000072210505 390618638 /nfs/dbraw/zinc/61/86/38/390618638.db2.gz WNDMCPZMRMMPIE-STQMWFEESA-N 1 0 256.390 1.635 40 0 CDABRO C[NH+]1CCN(c2ccc([C@H](O)c3ccccc3)cn2)CC1 ZINC000072225529 390624182 /nfs/dbraw/zinc/62/41/82/390624182.db2.gz BJHHTHZEFOVBTJ-QGZVFWFLSA-N 1 0 283.375 1.915 40 0 CDABRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000072207466 390616135 /nfs/dbraw/zinc/61/61/35/390616135.db2.gz FDEUPFBWAZHDRX-UHFFFAOYSA-N 1 0 270.398 1.825 40 0 CDABRO CCN(CC)c1ncc(C[NH2+][C@H]2CCCNC2=O)s1 ZINC000019526522 391324187 /nfs/dbraw/zinc/32/41/87/391324187.db2.gz YCJWHIAEUQOGRY-NSHDSACASA-N 1 0 282.413 1.358 40 0 CDABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(C)(=O)=O ZINC000218013609 130765026 /nfs/dbraw/zinc/76/50/26/130765026.db2.gz HUWQZPKWFVVEMZ-IHRRRGAJSA-N 1 0 283.393 1.179 40 0 CDABRO COC(=O)[C@@H](c1ccccc1)C1(O)CC[NH+](C)CC1 ZINC000006437967 170201492 /nfs/dbraw/zinc/20/14/92/170201492.db2.gz GZTJNAWEAHHUMA-CYBMUJFWSA-N 1 0 263.337 1.400 40 0 CDABRO c1cc2c(cccc2C[NH2+]CCCN2CCOCC2)[nH]1 ZINC000015423523 170665667 /nfs/dbraw/zinc/66/56/67/170665667.db2.gz FLARUUPMWDVASX-UHFFFAOYSA-N 1 0 273.380 1.980 40 0 CDABRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccnn1C(F)F ZINC000659327660 413719355 /nfs/dbraw/zinc/71/93/55/413719355.db2.gz SMPZYNOYQFPRSX-JTQLQIEISA-N 1 0 284.310 1.683 40 0 CDABRO O=C(CN1CCC[NH2+]CC1)Nc1ccc2c(c1)CCC2 ZINC000037399906 173177461 /nfs/dbraw/zinc/17/74/61/173177461.db2.gz LSRVDEZKWCPBFG-UHFFFAOYSA-N 1 0 273.380 1.409 40 0 CDABRO C[NH+]1CCC(CNC(=O)NCc2ccc(F)cc2)CC1 ZINC000038489541 174142536 /nfs/dbraw/zinc/14/25/36/174142536.db2.gz LEOUCXTXYZVXDS-UHFFFAOYSA-N 1 0 279.359 1.967 40 0 CDABRO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1C ZINC000071814560 176269097 /nfs/dbraw/zinc/26/90/97/176269097.db2.gz KQSBLBKYFDMSPY-LBPRGKRZSA-N 1 0 264.373 1.932 40 0 CDABRO Cc1nccc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072355932 176375664 /nfs/dbraw/zinc/37/56/64/176375664.db2.gz CLTRFPPICHZAQN-AWEZNQCLSA-N 1 0 271.368 1.898 40 0 CDABRO O=C(NCC(F)F)c1cc([C@@H]2CCC[NH2+]2)ccn1 ZINC000072387063 176392519 /nfs/dbraw/zinc/39/25/19/176392519.db2.gz GJMZAABKQFIFGM-VIFPVBQESA-N 1 0 255.268 1.501 40 0 CDABRO CO[C@H]1C[N@H+](CC(=O)N2CCCCC2)CC[C@@]12CCCO2 ZINC000257297951 277343792 /nfs/dbraw/zinc/34/37/92/277343792.db2.gz RJMBFLHPFGAMLC-HOCLYGCPSA-N 1 0 296.411 1.269 40 0 CDABRO CCN(C(=O)C[NH3+])[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079390883 278998021 /nfs/dbraw/zinc/99/80/21/278998021.db2.gz FOPFLGRUZVXQIR-NEPJUHHUSA-N 1 0 299.415 1.630 40 0 CDABRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(F)c(F)c(F)c1 ZINC000063008302 300322492 /nfs/dbraw/zinc/32/24/92/300322492.db2.gz SPJALNBAJGJVQW-ZETCQYMHSA-N 1 0 258.243 1.538 40 0 CDABRO C[NH+]1CCC(N2CCC[C@@H]2c2ncc(C(N)=O)s2)CC1 ZINC000257205521 517945089 /nfs/dbraw/zinc/94/50/89/517945089.db2.gz AZLXRIQZOQHVOK-LLVKDONJSA-N 1 0 294.424 1.473 40 0 CDABRO CCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(N)c1 ZINC000226262945 535333072 /nfs/dbraw/zinc/33/30/72/535333072.db2.gz ICBQGXPVLTWSLF-UHFFFAOYSA-N 1 0 276.384 1.759 40 0 CDABRO CCc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(C)(=O)=O)cc1 ZINC000218540723 536194936 /nfs/dbraw/zinc/19/49/36/536194936.db2.gz KCNTZBMFYQZVHI-AVGNSLFASA-N 1 0 253.367 1.334 40 0 CDABRO CCN1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000096046737 185071086 /nfs/dbraw/zinc/07/10/86/185071086.db2.gz JFDDOZWRQIJWLR-UHFFFAOYSA-N 1 0 276.384 1.255 40 0 CDABRO c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)nc1 ZINC000096055851 185076138 /nfs/dbraw/zinc/07/61/38/185076138.db2.gz NXYQUPCGKFIZPQ-CABCVRRESA-N 1 0 281.363 1.725 40 0 CDABRO O=C(c1cnccn1)N1C[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2C1 ZINC000096053964 185076705 /nfs/dbraw/zinc/07/67/05/185076705.db2.gz YLPPIAMNECFIMI-OKILXGFUSA-N 1 0 298.346 1.274 40 0 CDABRO Cc1ccc(C[NH2+]C[C@H]2OCCc3cn(C)nc32)o1 ZINC000096059680 185080767 /nfs/dbraw/zinc/08/07/67/185080767.db2.gz PXLRKZYKVXACFI-CYBMUJFWSA-N 1 0 261.325 1.725 40 0 CDABRO CNC(=O)C1=NO[C@@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096074489 185087942 /nfs/dbraw/zinc/08/79/42/185087942.db2.gz NHVISRZKXPIPKP-INIZCTEOSA-N 1 0 287.363 1.196 40 0 CDABRO COCC[N@@H+]1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096100065 185097938 /nfs/dbraw/zinc/09/79/38/185097938.db2.gz RFQQXADLJWBJBE-OAGGEKHMSA-N 1 0 292.379 1.476 40 0 CDABRO CONC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157421521 342204381 /nfs/dbraw/zinc/20/43/81/342204381.db2.gz UURWMCKUXPWKNP-HNNXBMFYSA-N 1 0 277.368 1.902 40 0 CDABRO CC(C)N1C[C@@]2(CCC[N@H+](C[C@H]3CCCO3)C2)C1=O ZINC000585099568 342212231 /nfs/dbraw/zinc/21/22/31/342212231.db2.gz QMPQJYRSQSHVIS-HIFRSBDPSA-N 1 0 266.385 1.498 40 0 CDABRO COC(=O)[C@H]1CCCCC[C@@H]1[NH2+]Cc1nncn1C ZINC000162451446 342436837 /nfs/dbraw/zinc/43/68/37/342436837.db2.gz NOPBUMJJSUYNKX-QWRGUYRKSA-N 1 0 266.345 1.027 40 0 CDABRO CS[C@H](C)CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000136172437 362310650 /nfs/dbraw/zinc/31/06/50/362310650.db2.gz UMOVNOLSZYBACU-MFKMUULPSA-N 1 0 264.394 1.741 40 0 CDABRO CN1C[C@@H]2COCCN2C2(C[NH+](C3CCCCC3)C2)C1 ZINC000604381954 344886410 /nfs/dbraw/zinc/88/64/10/344886410.db2.gz WNURLHIYAKMOGP-OAHLLOKOSA-N 1 0 279.428 1.020 40 0 biogenic,in-vitro CDABRO CC1(C)[C@@]2(C(=O)N3CC[NH2+]CC3)CC[C@]1(C)C(=O)C2 ZINC000085385639 179046465 /nfs/dbraw/zinc/04/64/65/179046465.db2.gz OYTYSASBDMVZTC-CABCVRRESA-N 1 0 264.369 1.204 40 0 CDABRO COCC[NH2+]CCNC(=O)c1cc(Cl)nc(Cl)c1 ZINC000152465791 346755789 /nfs/dbraw/zinc/75/57/89/346755789.db2.gz PLZXOPIHTZLYJO-UHFFFAOYSA-N 1 0 292.166 1.354 40 0 CDABRO CC(C)[N@@H+]1CCCC[C@H]1c1cc(CCO)n(C)n1 ZINC000205700968 348744046 /nfs/dbraw/zinc/74/40/46/348744046.db2.gz OZLZYDAVBIGXHD-AWEZNQCLSA-N 1 0 251.374 1.890 40 0 CDABRO COCC[N@@H+]1CC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000107225738 186163234 /nfs/dbraw/zinc/16/32/34/186163234.db2.gz BARYWAMDNKJXDT-HZPDHXFCSA-N 1 0 277.364 1.945 40 0 CDABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]12)N1CCCC1 ZINC000107745881 186188771 /nfs/dbraw/zinc/18/87/71/186188771.db2.gz AQFKNUCCGZBRDD-QDMKHBRRSA-N 1 0 274.364 1.970 40 0 CDABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1ccncn1)CC2 ZINC000108527225 186221406 /nfs/dbraw/zinc/22/14/06/186221406.db2.gz DMHIATTWCOCPJO-UHFFFAOYSA-N 1 0 274.368 1.423 40 0 CDABRO COc1ccc(C(=O)C(CN(C)C)C[NH+](C)C)c(OC)c1 ZINC000001589495 355940788 /nfs/dbraw/zinc/94/07/88/355940788.db2.gz UBJTXZUQCXVLSS-UHFFFAOYSA-N 1 0 294.395 1.626 40 0 CDABRO CC[NH2+]CC(=O)Nc1ccccc1C(=O)OCC ZINC000001672712 355946165 /nfs/dbraw/zinc/94/61/65/355946165.db2.gz RYYXMTCDMJKFDO-UHFFFAOYSA-N 1 0 250.298 1.411 40 0 CDABRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)N1CCCCC1 ZINC000019496378 356487404 /nfs/dbraw/zinc/48/74/04/356487404.db2.gz GMLPYRJUEHSNAR-ZDUSSCGKSA-N 1 0 289.445 1.181 40 0 CDABRO CCCC(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019501634 356488121 /nfs/dbraw/zinc/48/81/21/356488121.db2.gz FPOCWDZWSGBHQJ-UHFFFAOYSA-N 1 0 288.395 1.628 40 0 CDABRO CC[NH+]1CCN(c2ccc(N)cc2C(=O)OC)CC1 ZINC000041082244 356533909 /nfs/dbraw/zinc/53/39/09/356533909.db2.gz SOZVGXKUTJAABO-UHFFFAOYSA-N 1 0 263.341 1.197 40 0 CDABRO CC(C)(CO)[NH+]1CCN(C(=S)Nc2ccccc2)CC1 ZINC000022911751 356624596 /nfs/dbraw/zinc/62/45/96/356624596.db2.gz AXMCECNEBNXCQG-UHFFFAOYSA-N 1 0 293.436 1.772 40 0 in-vitro CDABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc2c(c1)OCCO2 ZINC000040805426 356874017 /nfs/dbraw/zinc/87/40/17/356874017.db2.gz GVYBNUGUEIGYDF-ZDUSSCGKSA-N 1 0 264.325 1.057 40 0 CDABRO CCc1nnc2sc(C3=CC[N@H+](CC)CC3)nn12 ZINC000073636223 356938021 /nfs/dbraw/zinc/93/80/21/356938021.db2.gz FDFISXCZGCUQFJ-UHFFFAOYSA-N 1 0 263.370 1.857 40 0 CDABRO COC(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000047219175 357154015 /nfs/dbraw/zinc/15/40/15/357154015.db2.gz UXXUHBOGEKSZOW-SECBINFHSA-N 1 0 251.282 1.457 40 0 CDABRO C[NH+]1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000047829351 357165013 /nfs/dbraw/zinc/16/50/13/357165013.db2.gz CCCLHFMSQTWVJE-UHFFFAOYSA-N 1 0 254.280 1.789 40 0 CDABRO [NH3+]CCN(Cc1ccnc(Br)c1)C1CC1 ZINC000079421624 358069672 /nfs/dbraw/zinc/06/96/72/358069672.db2.gz SLWAQDOOMXTYOA-UHFFFAOYSA-N 1 0 270.174 1.767 40 0 CDABRO [NH3+]C[C@@H](O)COCc1ccc(F)c(C(F)(F)F)c1 ZINC000095096253 366435477 /nfs/dbraw/zinc/43/54/77/366435477.db2.gz LISXIKKHQSJRAM-MRVPVSSYSA-N 1 0 267.222 1.681 40 0 CDABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096158778 358709987 /nfs/dbraw/zinc/70/99/87/358709987.db2.gz KPNRLRSBOQETAA-AWEZNQCLSA-N 1 0 262.353 1.852 40 0 CDABRO C[NH+]1CCC2(CC1)CN(C(=O)c1cccnc1)CCO2 ZINC000096158951 358710966 /nfs/dbraw/zinc/71/09/66/358710966.db2.gz DHRYDXMNXYCWPW-UHFFFAOYSA-N 1 0 275.352 1.018 40 0 CDABRO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccoc2)cn1 ZINC000096184594 358714383 /nfs/dbraw/zinc/71/43/83/358714383.db2.gz UMODZDXOLCJWHV-CVEARBPZSA-N 1 0 286.379 1.862 40 0 CDABRO COCC[N@@H+]1CCC2(CN(Cc3cccs3)C2)C1 ZINC000096202477 358719443 /nfs/dbraw/zinc/71/94/43/358719443.db2.gz GLKAGTXHLPSVCJ-UHFFFAOYSA-N 1 0 266.410 1.902 40 0 CDABRO Cc1nnc(N2C[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)s1 ZINC000096219410 358722087 /nfs/dbraw/zinc/72/20/87/358722087.db2.gz RQAUOSLZCPFDGK-QWHCGFSZSA-N 1 0 294.424 1.394 40 0 CDABRO O=C(NC1CCC1)[C@@H]1C[C@H]2OCC[N@H+](CC3CC3)[C@@H]2C1 ZINC000096251685 358726818 /nfs/dbraw/zinc/72/68/18/358726818.db2.gz DKAXMWMHSNZWKK-NWANDNLSSA-N 1 0 278.396 1.545 40 0 CDABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](CCO)CC2 ZINC000096261200 358729483 /nfs/dbraw/zinc/72/94/83/358729483.db2.gz YXDHNNXFCIOVGQ-HNNXBMFYSA-N 1 0 288.391 1.459 40 0 CDABRO O=C(NCCc1c[nH]c2ccccc12)[C@@]12C[C@@H]1C[NH2+]CC2 ZINC000096268464 358730395 /nfs/dbraw/zinc/73/03/95/358730395.db2.gz CHALLKJGHPLNIQ-DYVFJYSZSA-N 1 0 283.375 1.826 40 0 CDABRO CC(C)Cn1cc(CN(C)C2CC[NH2+]CC2)cn1 ZINC000347069941 359142685 /nfs/dbraw/zinc/14/26/85/359142685.db2.gz OZFKENIYQUYRFI-UHFFFAOYSA-N 1 0 250.390 1.723 40 0 CDABRO [NH3+]C[C@@H](c1c(F)cccc1Cl)N1CCOCC1 ZINC000019796278 367280376 /nfs/dbraw/zinc/28/03/76/367280376.db2.gz NQMWWIVPSDGTBH-NSHDSACASA-N 1 0 258.724 1.811 40 0 CDABRO C[NH2+][C@H]1CCN(C(=O)Nc2ccn3ccnc3c2)C1 ZINC000333313850 205210964 /nfs/dbraw/zinc/21/09/64/205210964.db2.gz MBIQSPORJDSIQV-NSHDSACASA-N 1 0 259.313 1.160 40 0 CDABRO CC[C@@H](COc1ccccc1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000225488721 374495982 /nfs/dbraw/zinc/49/59/82/374495982.db2.gz BBEAKQNQUZYKKV-SWLSCSKDSA-N 1 0 280.343 1.662 40 0 CDABRO [NH3+][C@@H]1COC[C@H]1Oc1ccc(Br)cc1 ZINC000117371587 374538945 /nfs/dbraw/zinc/53/89/45/374538945.db2.gz GRTOEAAOPRPWSN-NXEZZACHSA-N 1 0 258.115 1.554 40 0 CDABRO CC(C)[C@H](C(=O)NCc1n[nH]c(=S)n1C)[NH+]1CCCC1 ZINC000067050211 375252410 /nfs/dbraw/zinc/25/24/10/375252410.db2.gz SFKULIDMPUBZIO-LLVKDONJSA-N 1 0 297.428 1.214 40 0 CDABRO C[C@H](NCCC[NH+](C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000230024307 375298762 /nfs/dbraw/zinc/29/87/62/375298762.db2.gz KXJXPBGNJQXIQU-MCIONIFRSA-N 1 0 269.433 1.421 40 0 CDABRO CCn1nc(C)c(C[NH2+]CCCN2CCOCC2)c1F ZINC000256049781 190002115 /nfs/dbraw/zinc/00/21/15/190002115.db2.gz BKIPCURZLNHREV-UHFFFAOYSA-N 1 0 284.379 1.162 40 0 CDABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[NH2+]2)c1 ZINC000257197884 190009867 /nfs/dbraw/zinc/00/98/67/190009867.db2.gz MEKLQQNDHMWDAK-LBPRGKRZSA-N 1 0 283.335 1.249 40 0 CDABRO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000257201478 190010788 /nfs/dbraw/zinc/01/07/88/190010788.db2.gz AHVRZNSFWZVUOF-ZDUSSCGKSA-N 1 0 259.357 1.831 40 0 CDABRO Cc1ccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1F ZINC000257216789 190013725 /nfs/dbraw/zinc/01/37/25/190013725.db2.gz CWBAXDSULNKOME-OAHLLOKOSA-N 1 0 280.343 1.273 40 0 CDABRO Cc1ncc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000257235430 190016826 /nfs/dbraw/zinc/01/68/26/190016826.db2.gz GXUWHDXJSCVXTK-ZDUSSCGKSA-N 1 0 257.341 1.888 40 0 CDABRO C[C@]12CCCN(C(=O)c3ncccn3)[C@H]1CCCC[NH2+]2 ZINC000257233873 190017172 /nfs/dbraw/zinc/01/71/72/190017172.db2.gz GRDFLUVNWNUJJF-WFASDCNBSA-N 1 0 274.368 1.613 40 0 CDABRO Cc1cc(C[C@@H]2COCC[N@H+](Cc3ccccn3)C2)ncn1 ZINC000257217830 190014129 /nfs/dbraw/zinc/01/41/29/190014129.db2.gz DAUNPNUBLPNAQS-HNNXBMFYSA-N 1 0 298.390 1.871 40 0 CDABRO CN1CC[N@H+](CC2(O)CCOCC2)C[C@H]1c1ccccc1 ZINC000257244507 190019458 /nfs/dbraw/zinc/01/94/58/190019458.db2.gz ILQSNAAXONZEOY-INIZCTEOSA-N 1 0 290.407 1.517 40 0 CDABRO CCCS(=O)(=O)N1CC[C@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257247055 190019468 /nfs/dbraw/zinc/01/94/68/190019468.db2.gz IXEUEOQJKSCDLJ-LBPRGKRZSA-N 1 0 297.424 1.961 40 0 CDABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1ccnc1)C2 ZINC000257280405 190025849 /nfs/dbraw/zinc/02/58/49/190025849.db2.gz OKRQJCYNVPMWDP-AYDFFVQHSA-N 1 0 288.395 1.357 40 0 CDABRO O=C(CCCn1ccnc1)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257273642 190024504 /nfs/dbraw/zinc/02/45/04/190024504.db2.gz NHNOOZHWIJZGMT-CABCVRRESA-N 1 0 290.411 1.796 40 0 CDABRO Cn1ccnc1-c1cc(CC2CC[NH+](C)CC2)ncn1 ZINC000257300893 190029752 /nfs/dbraw/zinc/02/97/52/190029752.db2.gz RWCIPCLUZMNVDT-UHFFFAOYSA-N 1 0 271.368 1.761 40 0 CDABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)Cn1ccnc1 ZINC000257316913 190032948 /nfs/dbraw/zinc/03/29/48/190032948.db2.gz VHNVZZRXOVXIDO-KNCOVGOOSA-N 1 0 288.395 1.405 40 0 CDABRO CC(C)c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CO)cc1 ZINC000026781293 376318876 /nfs/dbraw/zinc/31/88/76/376318876.db2.gz RGCSYINLDHNTKP-AWEZNQCLSA-N 1 0 281.396 1.910 40 0 CDABRO CCN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(=O)OC(C)(C)C ZINC000079409184 285022583 /nfs/dbraw/zinc/02/25/83/285022583.db2.gz SMOIGOVICNSBOJ-LBPRGKRZSA-N 1 0 299.415 1.441 40 0 CDABRO COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C1)[NH2+]2 ZINC000265540503 291936966 /nfs/dbraw/zinc/93/69/66/291936966.db2.gz AGHLPBBEJOPZON-CDECOKDKSA-N 1 0 298.383 1.583 40 0 CDABRO COC[C@@]12CCCO[C@H]1CC[N@H+](CC1CCOCC1)C2 ZINC000096056773 285326302 /nfs/dbraw/zinc/32/63/02/285326302.db2.gz VHQFVCVHLZKTKM-HOTGVXAUSA-N 1 0 283.412 1.931 40 0 CDABRO CC(C)OC(=O)[C@H](C)CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000080529650 177665093 /nfs/dbraw/zinc/66/50/93/177665093.db2.gz GONYOMOXGXABBV-OLZOCXBDSA-N 1 0 299.415 1.310 40 0 CDABRO [NH3+]C1CCN(c2cc(C(F)(F)F)nc3ncnn32)CC1 ZINC000096515942 390532747 /nfs/dbraw/zinc/53/27/47/390532747.db2.gz XTBLHWLDXCGLRQ-UHFFFAOYSA-N 1 0 286.261 1.071 40 0 CDABRO CCOC(=O)[C@@H](CN)C1([NH+](CC)CC)CCCC1 ZINC000072210397 390617993 /nfs/dbraw/zinc/61/79/93/390617993.db2.gz DIUYJQGMPOMNQA-GFCCVEGCSA-N 1 0 256.390 1.779 40 0 CDABRO CC(=O)N1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216257 390621247 /nfs/dbraw/zinc/62/12/47/390621247.db2.gz DIYJQZVZZVAJJT-HNNXBMFYSA-N 1 0 289.379 1.992 40 0 CDABRO O=C(NCC[C@H]1CCCCO1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000224089478 391511622 /nfs/dbraw/zinc/51/16/22/391511622.db2.gz GVBKJKQZNPWVHB-HZPDHXFCSA-N 1 0 288.391 1.776 40 0 CDABRO O=C1O[C@]2(CN1c1cccc(Cl)c1)C[NH2+]CCOC2 ZINC000257205249 391648259 /nfs/dbraw/zinc/64/82/59/391648259.db2.gz AYEUNUYAHVGCQL-ZDUSSCGKSA-N 1 0 282.727 1.655 40 0 CDABRO Fc1cccc(NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC000306122983 392105955 /nfs/dbraw/zinc/10/59/55/392105955.db2.gz ABJPOERBBNAPOS-DOMZBBRYSA-N 1 0 280.343 1.633 40 0 CDABRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000005453197 170100634 /nfs/dbraw/zinc/10/06/34/170100634.db2.gz IUCBYTQJYKNATH-UHFFFAOYSA-N 1 0 288.388 1.836 40 0 CDABRO CCn1c(=O)c2ccccc2n(CC[NH+](CC)CC)c1=O ZINC000005508774 170105539 /nfs/dbraw/zinc/10/55/39/170105539.db2.gz FKOGKQVNQCYVFF-UHFFFAOYSA-N 1 0 289.379 1.525 40 0 CDABRO CCn1nc(C)c(CCC(=O)NCC[NH+](CC)CC)c1C ZINC000072240500 176348382 /nfs/dbraw/zinc/34/83/82/176348382.db2.gz WCOVBUKZXZIFHB-UHFFFAOYSA-N 1 0 294.443 1.910 40 0 CDABRO CN(C)C(=O)[C@]1(C)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000072355267 176374614 /nfs/dbraw/zinc/37/46/14/176374614.db2.gz GOHZYACPGIPWCY-CQSZACIVSA-N 1 0 264.373 1.110 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@](O)(c3nccn3C)CC2)cn1 ZINC000072369582 176384164 /nfs/dbraw/zinc/38/41/64/176384164.db2.gz VYLINYIPDKVRLX-OAHLLOKOSA-N 1 0 289.383 1.027 40 0 CDABRO OCCCC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392674 176394496 /nfs/dbraw/zinc/39/44/96/176394496.db2.gz NYSBBOXNLWIUIR-UHFFFAOYSA-N 1 0 297.362 1.653 40 0 CDABRO CC(=O)c1nnn(-c2ccccc2)c1NCC[NH+](C)C ZINC000072397505 176395249 /nfs/dbraw/zinc/39/52/49/176395249.db2.gz JKLTZFUCTROTLL-UHFFFAOYSA-N 1 0 273.340 1.443 40 0 CDABRO COCC[NH+]1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000072397778 176395748 /nfs/dbraw/zinc/39/57/48/176395748.db2.gz GSUDAHVSQFCQIK-UHFFFAOYSA-N 1 0 285.391 1.999 40 0 CDABRO COC[C@@H](O)C[N@@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000077658027 177291785 /nfs/dbraw/zinc/29/17/85/177291785.db2.gz LSBLPFMUWMSGAU-RDJZCZTQSA-N 1 0 292.423 1.590 40 0 CDABRO OCCCCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717827 262303209 /nfs/dbraw/zinc/30/32/09/262303209.db2.gz OWUYEASRYFCXIA-UHFFFAOYSA-N 1 0 264.373 1.329 40 0 CDABRO Cc1nc(CN2C[C@]3(CC[NH2+]C3)CC2=O)cs1 ZINC000096239348 265345883 /nfs/dbraw/zinc/34/58/83/265345883.db2.gz IAFONTYAAYCDAA-GFCCVEGCSA-N 1 0 251.355 1.164 40 0 CDABRO O=C1c2cccn2[C@H]2C[NH2+]C[C@@H]2N1Cc1ccccn1 ZINC000306135340 275031493 /nfs/dbraw/zinc/03/14/93/275031493.db2.gz ONZVJIYBGKVGHK-KBPBESRZSA-N 1 0 268.320 1.052 40 0 CDABRO CCc1cc(C(=O)N2CCCC[C@H]2CC[NH+](C)C)n(C)n1 ZINC000019522149 288517294 /nfs/dbraw/zinc/51/72/94/288517294.db2.gz JSMSQEWWDIOSFH-AWEZNQCLSA-N 1 0 292.427 1.929 40 0 CDABRO CN(CC[NH3+])C(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000054417349 289647264 /nfs/dbraw/zinc/64/72/64/289647264.db2.gz OKMQAKQQWOZPIR-ZIAGYGMSSA-N 1 0 262.353 1.571 40 0 CDABRO C[NH+](C)C[C@H]1CC[C@@]2(COCCN(Cc3ccco3)C2)O1 ZINC000096052270 185074101 /nfs/dbraw/zinc/07/41/01/185074101.db2.gz GDBFNEDONSWOJO-HZPDHXFCSA-N 1 0 294.395 1.591 40 0 CDABRO c1cn2c(n1)C[NH2+]C[C@@H](COCc1ccccn1)C2 ZINC000096059153 185078894 /nfs/dbraw/zinc/07/88/94/185078894.db2.gz NNCJSRDJVIMQSQ-GFCCVEGCSA-N 1 0 258.325 1.214 40 0 CDABRO CCN1CC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)C1=O ZINC000096073929 185088881 /nfs/dbraw/zinc/08/88/81/185088881.db2.gz CYOSVHNPRGGWDB-MRXNPFEDSA-N 1 0 273.380 1.916 40 0 CDABRO Cc1nc(C)c2c(n1)CC[N@H+](C1CCOCC1)CC2 ZINC000096083770 185092686 /nfs/dbraw/zinc/09/26/86/185092686.db2.gz QJLDQKCUPBOMFA-UHFFFAOYSA-N 1 0 261.369 1.673 40 0 CDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Br)o1 ZINC000409422580 342168755 /nfs/dbraw/zinc/16/87/55/342168755.db2.gz IANRHYCDWDTKQD-RQJHMYQMSA-N 1 0 274.114 1.518 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CSCC[NH2+]2 ZINC000096950751 185139418 /nfs/dbraw/zinc/13/94/18/185139418.db2.gz AZTNWANRFKZKKM-LBPRGKRZSA-N 1 0 258.387 1.702 40 0 CDABRO C[NH+](C)C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 ZINC000585095181 342211396 /nfs/dbraw/zinc/21/13/96/342211396.db2.gz ILLAHJXWZSMAAZ-CYBMUJFWSA-N 1 0 262.357 1.128 40 0 CDABRO C[NH+](C)CCCNC(=O)c1nn(C2CCCC2)cc1N ZINC000685936291 539098932 /nfs/dbraw/zinc/09/89/32/539098932.db2.gz OSDMPNGHTJUZSZ-UHFFFAOYSA-N 1 0 279.388 1.262 40 0 CDABRO CN(C)CC[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585290142 342258795 /nfs/dbraw/zinc/25/87/95/342258795.db2.gz TZJVPWREBLZEDH-ARFHVFGLSA-N 1 0 296.386 1.638 40 0 CDABRO Fc1ccccc1-c1nsc(N2CC[NH2+]CC2)n1 ZINC000144223230 362249066 /nfs/dbraw/zinc/24/90/66/362249066.db2.gz LXVLSLQAGSMZGT-UHFFFAOYSA-N 1 0 264.329 1.754 40 0 CDABRO CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC000257278546 282297845 /nfs/dbraw/zinc/29/78/45/282297845.db2.gz OCRCITCQFRSYEF-AWEZNQCLSA-N 1 0 290.411 1.420 40 0 CDABRO CS[C@@H](C)CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000136172457 362311455 /nfs/dbraw/zinc/31/14/55/362311455.db2.gz UMOVNOLSZYBACU-GXFFZTMASA-N 1 0 264.394 1.741 40 0 CDABRO Cc1cccc(OC[C@]2(C[NH2+]C(C)C)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107430371 186174532 /nfs/dbraw/zinc/17/45/32/186174532.db2.gz JBSOFXIWDFEOBR-MIFYACCESA-N 1 0 294.395 1.269 40 0 biogenic,in-vitro CDABRO Cn1cc(-c2nc(C3CC[NH2+]CC3)cc3c2ncn3C)cn1 ZINC000107493417 186175648 /nfs/dbraw/zinc/17/56/48/186175648.db2.gz XGVVVAJUUJBLSW-UHFFFAOYSA-N 1 0 296.378 1.836 40 0 CDABRO c1cc(N2CCCC2)cn2nc(C3CC[NH2+]CC3)nc12 ZINC000107488193 186175873 /nfs/dbraw/zinc/17/58/73/186175873.db2.gz FWDBHCFWFYTGOA-UHFFFAOYSA-N 1 0 271.368 1.797 40 0 CDABRO CO[C@H]1CCN(C(=O)c2ccsc2)[C@H](C[NH3+])C1 ZINC000161068615 188506236 /nfs/dbraw/zinc/50/62/36/188506236.db2.gz GWLGMPGMBOLZKK-QWRGUYRKSA-N 1 0 254.355 1.326 40 0 CDABRO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000001475574 355937788 /nfs/dbraw/zinc/93/77/88/355937788.db2.gz BEARVAYTPVGXCM-CQSZACIVSA-N 1 0 263.337 1.725 40 0 CDABRO C[NH+](C)C[C@H]1CCc2cc3c(cc2C1=O)OCCO3 ZINC000005535399 356055703 /nfs/dbraw/zinc/05/57/03/356055703.db2.gz IDNNHIVEBYGLOF-LLVKDONJSA-N 1 0 261.321 1.765 40 0 CDABRO CC[NH+](CC)CCCNC(=O)c1ccn(C(F)F)n1 ZINC000036611176 356407939 /nfs/dbraw/zinc/40/79/39/356407939.db2.gz KANQZRDWYASVBT-UHFFFAOYSA-N 1 0 274.315 1.740 40 0 CDABRO Cc1nn(C)c(C)c1-c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000095095288 366326030 /nfs/dbraw/zinc/32/60/30/366326030.db2.gz NEPLITBKVFNELZ-JTQLQIEISA-N 1 0 261.329 1.902 40 0 CDABRO CCN(C(=O)C[NH3+])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079390858 356988700 /nfs/dbraw/zinc/98/87/00/356988700.db2.gz YMJFAOLCBWLRKS-LLVKDONJSA-N 1 0 285.388 1.193 40 0 CDABRO CC(C)(C)OC(=O)NC[C@H]1CCCN(CC[NH3+])C1 ZINC000079408328 356992324 /nfs/dbraw/zinc/99/23/24/356992324.db2.gz QRXBZCGJELHJRT-LLVKDONJSA-N 1 0 257.378 1.182 40 0 CDABRO O=C(NC[C@H]1CCCC[N@H+]1CCO)OCc1ccccc1 ZINC000079410899 356994004 /nfs/dbraw/zinc/99/40/04/356994004.db2.gz SVWFMOORXWPNBE-OAHLLOKOSA-N 1 0 292.379 1.760 40 0 CDABRO C[N@@H+]1CCC[C@H](c2cccc(N3CCOCC3)n2)C1 ZINC000072386616 357832235 /nfs/dbraw/zinc/83/22/35/357832235.db2.gz UPSYWVAMGPCXFM-ZDUSSCGKSA-N 1 0 261.369 1.727 40 0 CDABRO C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000082306848 358157928 /nfs/dbraw/zinc/15/79/28/358157928.db2.gz OYMGZDNJCSQZKY-LBPRGKRZSA-N 1 0 250.317 1.784 40 0 CDABRO O=C1CC[C@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CCN1 ZINC000566176197 358287704 /nfs/dbraw/zinc/28/77/04/358287704.db2.gz ISIJRFCLCMGXNI-XQQFMLRXSA-N 1 0 252.358 1.014 40 0 CDABRO NC(=O)c1ccc(-c2cnc3n2CCC32CC[NH2+]CC2)cc1 ZINC000306137527 283369272 /nfs/dbraw/zinc/36/92/72/283369272.db2.gz QZDHWKDOFJAKSY-UHFFFAOYSA-N 1 0 296.374 1.674 40 0 CDABRO COc1cc(C=O)ccc1OCCCC[NH+]1CCOCC1 ZINC000206982983 358682114 /nfs/dbraw/zinc/68/21/14/358682114.db2.gz JXQCKOVRYQXHJG-UHFFFAOYSA-N 1 0 293.363 1.999 40 0 CDABRO COCC[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC2CCCC2)C1 ZINC000096038780 358706558 /nfs/dbraw/zinc/70/65/58/358706558.db2.gz YADOVSCHVOOMNA-GDBMZVCRSA-N 1 0 296.411 1.173 40 0 CDABRO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161627 358710852 /nfs/dbraw/zinc/71/08/52/358710852.db2.gz XBCJMRRVTVSQLB-NYTXWWLZSA-N 1 0 285.391 1.628 40 0 CDABRO CS(=O)(=O)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096202758 358719119 /nfs/dbraw/zinc/71/91/19/358719119.db2.gz KSJAEAZDXNROKO-UHFFFAOYSA-N 1 0 286.422 1.215 40 0 CDABRO c1ccc(OC[C@@H]2COCCC23CC[NH2+]CC3)nc1 ZINC000096206658 358720032 /nfs/dbraw/zinc/72/00/32/358720032.db2.gz ZYMHFBWHJCTPDT-ZDUSSCGKSA-N 1 0 262.353 1.867 40 0 CDABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)N1c1cncnc1 ZINC000096245928 358725557 /nfs/dbraw/zinc/72/55/57/358725557.db2.gz GKUJDYHWUXQGSA-KGLIPLIRSA-N 1 0 284.319 1.449 40 0 CDABRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(C)o3)CC[N@@H+]2C1 ZINC000096249530 358726655 /nfs/dbraw/zinc/72/66/55/358726655.db2.gz BPEAIMZOWKTPQS-DZGCQCFKSA-N 1 0 264.369 1.883 40 0 CDABRO Cc1noc(C)c1CN1CCO[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC000096248829 358726706 /nfs/dbraw/zinc/72/67/06/358726706.db2.gz QNBCKLREDJMJRO-CABCVRRESA-N 1 0 279.384 1.585 40 0 CDABRO Cc1ccc(C(=O)N2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC000096268854 358730316 /nfs/dbraw/zinc/73/03/16/358730316.db2.gz CBTAGUMFXQZLAK-INIZCTEOSA-N 1 0 274.364 1.590 40 0 CDABRO CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096268680 358730595 /nfs/dbraw/zinc/73/05/95/358730595.db2.gz NNCQWGNIOGCEQZ-INIZCTEOSA-N 1 0 273.380 1.916 40 0 CDABRO CCc1cccc2cc(C[NH2+]CCOC)c(=O)[nH]c21 ZINC000013998562 358827292 /nfs/dbraw/zinc/82/72/92/358827292.db2.gz CDOBBIPGYZXVHF-UHFFFAOYSA-N 1 0 260.337 1.827 40 0 CDABRO C[C@@H]1CN([C@H](C[NH3+])c2ccccc2F)C[C@H](C)O1 ZINC000019271909 358894427 /nfs/dbraw/zinc/89/44/27/358894427.db2.gz BINUIMUTYHIZNB-UHIISALHSA-N 1 0 252.333 1.935 40 0 CDABRO O=C1CNc2ncnc(NCCc3ccccc3)c2N1 ZINC000041121686 359683903 /nfs/dbraw/zinc/68/39/03/359683903.db2.gz QNVQCQQGHSYBAW-UHFFFAOYSA-N 1 0 269.308 1.495 40 0 CDABRO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCCCC1 ZINC000000166971 364091463 /nfs/dbraw/zinc/09/14/63/364091463.db2.gz RRVVQGHHKMQNRC-CYBMUJFWSA-N 1 0 295.379 1.929 40 0 CDABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218250054 365019407 /nfs/dbraw/zinc/01/94/07/365019407.db2.gz ARXKOCAAFLCZJU-ILXRZTDVSA-N 1 0 297.420 1.487 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218464245 372827221 /nfs/dbraw/zinc/82/72/21/372827221.db2.gz HPROAGMMWQGCJM-GARJFASQSA-N 1 0 259.758 1.568 40 0 CDABRO CCNc1ncc(C[NH2+]C[C@@H](O)c2ccccc2)cn1 ZINC000062717548 374167446 /nfs/dbraw/zinc/16/74/46/374167446.db2.gz YHDSOXZHKCHIJM-CQSZACIVSA-N 1 0 272.352 1.732 40 0 CDABRO C[N@@H+]1C[C@H](C(N)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000027726883 374261617 /nfs/dbraw/zinc/26/16/17/374261617.db2.gz OEVHDXFBOKGRLN-MPKXVKKWSA-N 1 0 269.348 1.613 40 0 CDABRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)Cc1cccc(F)c1 ZINC000225478145 374484793 /nfs/dbraw/zinc/48/47/93/374484793.db2.gz SFCSLYPRVYSUOU-CYBMUJFWSA-N 1 0 288.388 1.619 40 0 CDABRO CC[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(N)=O ZINC000079030955 374760086 /nfs/dbraw/zinc/76/00/86/374760086.db2.gz LNWMMKFCNKTMHA-CYBMUJFWSA-N 1 0 299.484 1.592 40 0 CDABRO COCC[NH2+]CCNC(=O)c1ccc(F)c(F)c1F ZINC000212765881 375479699 /nfs/dbraw/zinc/47/96/99/375479699.db2.gz MLMIVLPQQDDLLN-UHFFFAOYSA-N 1 0 276.258 1.070 40 0 CDABRO Cc1cccc(C2(O)CC[NH+]([C@@H]3COC[C@@H]3O)CC2)c1 ZINC000257206590 190011723 /nfs/dbraw/zinc/01/17/23/190011723.db2.gz BECXQANKSLAAJU-CABCVRRESA-N 1 0 277.364 1.038 40 0 CDABRO COc1ccc(OC)c(-c2ccc3nnc(CC[NH3+])n3n2)c1 ZINC000217566910 375672984 /nfs/dbraw/zinc/67/29/84/375672984.db2.gz SGPPMKJVIPGHNC-UHFFFAOYSA-N 1 0 299.334 1.310 40 0 CDABRO C[N@@H+]1CCC[C@](CCCc2cccnc2)(C(N)=O)C1 ZINC000257210789 190012271 /nfs/dbraw/zinc/01/22/71/190012271.db2.gz BWEOEEYYSKJUHQ-HNNXBMFYSA-N 1 0 261.369 1.602 40 0 CDABRO Cc1ccnc([C@H]2CC[N@H+](Cc3cnccn3)C2)n1 ZINC000257232449 190017205 /nfs/dbraw/zinc/01/72/05/190017205.db2.gz GKWWUVLDOQAGHY-LBPRGKRZSA-N 1 0 255.325 1.565 40 0 CDABRO CCn1nccc1-c1cncc(C[C@H]2CCC[NH2+]C2)n1 ZINC000257243934 190018378 /nfs/dbraw/zinc/01/83/78/190018378.db2.gz IJDZMVJISQIXRB-GFCCVEGCSA-N 1 0 271.368 1.902 40 0 CDABRO Cc1c[nH]c([C@@H]2CCCN(C(=O)C3CC[NH2+]CC3)C2)n1 ZINC000257267498 190023405 /nfs/dbraw/zinc/02/34/05/190023405.db2.gz MHNQJLPNSVGBHJ-CYBMUJFWSA-N 1 0 276.384 1.424 40 0 CDABRO O[C@@H]1C[N@H+](Cc2ccncc2)C[C@H]1Oc1ccccc1 ZINC000257287173 190027265 /nfs/dbraw/zinc/02/72/65/190027265.db2.gz POUZPQWWVYKQKX-HZPDHXFCSA-N 1 0 270.332 1.706 40 0 CDABRO C[C@@]1(C(=O)NCc2cccc(Cl)c2)C[NH2+]CCO1 ZINC000257273351 190024617 /nfs/dbraw/zinc/02/46/17/190024617.db2.gz NGENFUUDBABUBY-ZDUSSCGKSA-N 1 0 268.744 1.335 40 0 CDABRO Cc1nc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000257319263 190033406 /nfs/dbraw/zinc/03/34/06/190033406.db2.gz VROTVYGEGHTMQN-ZDUSSCGKSA-N 1 0 287.367 1.604 40 0 CDABRO Cc1c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cnn1C ZINC000257336608 190036503 /nfs/dbraw/zinc/03/65/03/190036503.db2.gz YPEUMEWRLKIDQB-ZDUSSCGKSA-N 1 0 271.368 1.898 40 0 CDABRO C[N@@H+]1CCC[C@]2(CN(Cc3ccccn3)CCO2)C1 ZINC000063527610 378303751 /nfs/dbraw/zinc/30/37/51/378303751.db2.gz WEBPVNWBWXWIQU-OAHLLOKOSA-N 1 0 261.369 1.378 40 0 CDABRO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1coc2ccccc12 ZINC000070392790 379374710 /nfs/dbraw/zinc/37/47/10/379374710.db2.gz WNEKBZWFULPOBD-YPMHNXCESA-N 1 0 260.293 1.149 40 0 CDABRO CC(C)[NH2+]C[C@@H](O)COCCOc1ccc(F)cc1 ZINC000041690309 379452401 /nfs/dbraw/zinc/45/24/01/379452401.db2.gz QIKWCJKOVRZFSA-CYBMUJFWSA-N 1 0 271.332 1.580 40 0 CDABRO COc1cccc([C@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)c1OC ZINC000036101356 390480086 /nfs/dbraw/zinc/48/00/86/390480086.db2.gz SUUAHXZFOMJMML-BZPMIXESSA-N 1 0 294.395 1.813 40 0 CDABRO COc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000036101359 390480355 /nfs/dbraw/zinc/48/03/55/390480355.db2.gz HUYPIKDZTWEIMM-JMSVASOKSA-N 1 0 294.395 1.813 40 0 CDABRO CCN(Cc1cn(CC)nc1C)C[C@@H]1CCC[NH2+]1 ZINC000096523688 390537433 /nfs/dbraw/zinc/53/74/33/390537433.db2.gz YQCOXGFFPOGYHZ-AWEZNQCLSA-N 1 0 250.390 1.785 40 0 CDABRO [NH3+]CCn1ncc2c1ncnc2NCc1cccs1 ZINC000096524254 390538635 /nfs/dbraw/zinc/53/86/35/390538635.db2.gz MACVSIBPBNPGHV-UHFFFAOYSA-N 1 0 274.353 1.459 40 0 CDABRO CCCc1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000096530721 390541742 /nfs/dbraw/zinc/54/17/42/390541742.db2.gz UMIAXNFCYUYURZ-VIFPVBQESA-N 1 0 262.317 1.205 40 0 CDABRO CCOC(=O)[C@H](CN)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000072210506 390618164 /nfs/dbraw/zinc/61/81/64/390618164.db2.gz WNDMCPZMRMMPIE-OLZOCXBDSA-N 1 0 256.390 1.635 40 0 CDABRO C[C@H]([NH3+])C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000072220518 390622317 /nfs/dbraw/zinc/62/23/17/390622317.db2.gz MRGYRZNRDPZBJS-ZETCQYMHSA-N 1 0 280.715 1.353 40 0 CDABRO CC[C@H](O)c1cnc(N2CC[NH+](CC)CC2)c(C)c1 ZINC000072222587 390623163 /nfs/dbraw/zinc/62/31/63/390623163.db2.gz GKBIFZMIRXXPLU-AWEZNQCLSA-N 1 0 263.385 1.975 40 0 CDABRO O=C1C[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccccc1Cl ZINC000096157207 390913307 /nfs/dbraw/zinc/91/33/07/390913307.db2.gz DBYVOQDPXWHDNA-HNNXBMFYSA-N 1 0 292.766 1.969 40 0 CDABRO CCO[C@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)CC)CC2 ZINC000096421800 391188900 /nfs/dbraw/zinc/18/89/00/391188900.db2.gz OEOHHUKMKDUVPJ-UPJWGTAASA-N 1 0 257.374 1.009 40 0 CDABRO CC(C)[N@@H+]1CCC[C@H]1c1cnc(N2CCOC2=O)cn1 ZINC000257201630 391648064 /nfs/dbraw/zinc/64/80/64/391648064.db2.gz AIJJMDDWDAXBPX-LBPRGKRZSA-N 1 0 276.340 1.979 40 0 CDABRO Cc1cc(C)nc(N2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)n1 ZINC000257335001 392978334 /nfs/dbraw/zinc/97/83/34/392978334.db2.gz YIGIMYIDCXJDDF-OAHLLOKOSA-N 1 0 299.378 1.957 40 0 CDABRO CCOCC(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257223761 286022353 /nfs/dbraw/zinc/02/23/53/286022353.db2.gz DYRYMZSEASKURQ-JSGCOSHPSA-N 1 0 254.374 1.498 40 0 CDABRO O=C1CCC(=O)N1OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005382568 170092494 /nfs/dbraw/zinc/09/24/94/170092494.db2.gz GUWLFGRHKJHZOJ-NEPJUHHUSA-N 1 0 266.341 1.332 40 0 CDABRO CC[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000008648957 170343799 /nfs/dbraw/zinc/34/37/99/170343799.db2.gz GIXWJZGUDCGGSS-UHFFFAOYSA-N 1 0 263.366 1.973 40 0 CDABRO CC[C@@](O)(C[NH3+])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072208079 176342995 /nfs/dbraw/zinc/34/29/95/176342995.db2.gz XVTLGSGBZVAHQK-SMDDNHRTSA-N 1 0 272.389 1.733 40 0 CDABRO Cn1ncc(C(=O)N2CCC[N@H+](CC3CC3)CC2)c1Cl ZINC000072254257 176350840 /nfs/dbraw/zinc/35/08/40/176350840.db2.gz IUFHQQKVHQKREA-UHFFFAOYSA-N 1 0 296.802 1.631 40 0 CDABRO O=C(NCc1ccccn1)c1ccnc(C2CC[NH2+]CC2)c1 ZINC000072365661 176381215 /nfs/dbraw/zinc/38/12/15/176381215.db2.gz UFMCHRJSWBKKMT-UHFFFAOYSA-N 1 0 296.374 1.874 40 0 CDABRO CN(C)C(=O)[C@@]1(CCCc2ccncc2)CCC[NH2+]C1 ZINC000072383149 176388445 /nfs/dbraw/zinc/38/84/45/176388445.db2.gz MHIBLSGWOCNXCX-INIZCTEOSA-N 1 0 275.396 1.862 40 0 CDABRO CNc1ccc(C[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)nn1 ZINC000072387287 176392710 /nfs/dbraw/zinc/39/27/10/176392710.db2.gz SPTTYAJDDNAUEI-LBPRGKRZSA-N 1 0 286.383 1.696 40 0 CDABRO O=C(NCC1CC[NH+](CCO)CC1)OCc1ccccc1 ZINC000079410915 177483042 /nfs/dbraw/zinc/48/30/42/177483042.db2.gz DDQROTLZLPAJLD-UHFFFAOYSA-N 1 0 292.379 1.617 40 0 CDABRO O=C(Nc1cccnc1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096260930 265349100 /nfs/dbraw/zinc/34/91/00/265349100.db2.gz DVJBOBDOODZCPJ-GFCCVEGCSA-N 1 0 261.325 1.321 40 0 CDABRO CN(C)C(=O)c1sc2nccnc2c1C1CC[NH2+]CC1 ZINC000257281167 276762278 /nfs/dbraw/zinc/76/22/78/276762278.db2.gz ONXRWWUSLFEMHU-UHFFFAOYSA-N 1 0 290.392 1.860 40 0 CDABRO C[NH2+]C[C@]1(O)CCCN(c2ccnc3ccncc32)C1 ZINC000257256719 277286651 /nfs/dbraw/zinc/28/66/51/277286651.db2.gz KMOIMCMLWORVHU-OAHLLOKOSA-N 1 0 272.352 1.181 40 0 CDABRO CNc1cncc([C@@H]2CCC[N@@H+]2CC2(O)CCOCC2)n1 ZINC000257277531 277303390 /nfs/dbraw/zinc/30/33/90/277303390.db2.gz NYHNGUPWMBRFJY-ZDUSSCGKSA-N 1 0 292.383 1.197 40 0 CDABRO CC[C@H](O)[C@@](CC[NH+](C)C)(C(=O)N(C)C)c1ccccc1 ZINC000001717956 288117889 /nfs/dbraw/zinc/11/78/89/288117889.db2.gz WYRJVVKSPJCNHZ-RDJZCZTQSA-N 1 0 292.423 1.735 40 0 CDABRO C[NH+](C)C[C@H]1COCCN1C(=O)Cc1ccccc1 ZINC000085469994 289218704 /nfs/dbraw/zinc/21/87/04/289218704.db2.gz WRYAQJYUBFKPTK-AWEZNQCLSA-N 1 0 262.353 1.018 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H](C[NH3+])[C@H]1c1ccc(F)cc1 ZINC000242722808 482448501 /nfs/dbraw/zinc/44/85/01/482448501.db2.gz XVHGYMBGPQNORA-IJLUTSLNSA-N 1 0 257.330 1.301 40 0 CDABRO C[C@H]1CCN(C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC000903549162 626022041 /nfs/dbraw/zinc/02/20/41/626022041.db2.gz FCMUJWJOHOATNX-ZDUSSCGKSA-N 1 0 281.400 1.293 40 0 CDABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000169957691 790728546 /nfs/dbraw/zinc/72/85/46/790728546.db2.gz DMRJYLJTODXKLN-LLVKDONJSA-N 1 0 278.352 1.984 40 0 CDABRO Cc1nc(COC[C@H]2C[NH2+]Cc3ncn(C)c32)cs1 ZINC000096045037 185071945 /nfs/dbraw/zinc/07/19/45/185071945.db2.gz SHSWROMNAXNXKD-SNVBAGLBSA-N 1 0 278.381 1.589 40 0 CDABRO Cn1cc(N2CC[C@@]3(CC[N@H+](CC4CC4)C3)C2=O)cn1 ZINC000096050550 185074537 /nfs/dbraw/zinc/07/45/37/185074537.db2.gz YTGCXZHEQQCSKS-OAHLLOKOSA-N 1 0 274.368 1.259 40 0 CDABRO O=C([C@H]1C[N@H+](CC2CC2)CC12CCOCC2)N1CCCC1 ZINC000096052194 185075102 /nfs/dbraw/zinc/07/51/02/185075102.db2.gz DGNJHOVPWCETDH-OAHLLOKOSA-N 1 0 292.423 1.747 40 0 CDABRO COCC(=O)N1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053908 185076683 /nfs/dbraw/zinc/07/66/83/185076683.db2.gz WIDKRHFQVQDGDN-KBPBESRZSA-N 1 0 292.354 1.362 40 0 CDABRO Cn1cc2c(n1)[C@H](C[NH2+]Cc1ccsc1)OCC2 ZINC000096059676 185080085 /nfs/dbraw/zinc/08/00/85/185080085.db2.gz XZMSNZYAKQCHOU-LBPRGKRZSA-N 1 0 263.366 1.885 40 0 CDABRO CN(C)C(=O)[C@H]1CO[C@H]2CC[N@H+](Cc3ccoc3)C[C@H]2C1 ZINC000096065993 185084453 /nfs/dbraw/zinc/08/44/53/185084453.db2.gz XAAAQOJKRMXKNC-KFWWJZLASA-N 1 0 292.379 1.595 40 0 CDABRO Cc1cc(C[N@H+]2C[C@@H]3[C@H](C2)CNC(=O)[C@@H]3C)oc1C ZINC000096070430 185085702 /nfs/dbraw/zinc/08/57/02/185085702.db2.gz FOEDGDRDHLSRQK-OSMZGAPFSA-N 1 0 262.353 1.710 40 0 CDABRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)cn1 ZINC000096108713 185099488 /nfs/dbraw/zinc/09/94/88/185099488.db2.gz MBDOHTKNIKWYND-HZPDHXFCSA-N 1 0 291.395 1.295 40 0 CDABRO Cc1cc(CN2Cc3ccnn3CC[C@H]2C[NH+](C)C)[nH]n1 ZINC000585096978 342211908 /nfs/dbraw/zinc/21/19/08/342211908.db2.gz GGXRAPDIARYIOR-AWEZNQCLSA-N 1 0 288.399 1.251 40 0 CDABRO CC[NH+](CC)CCCNC(=O)c1c(N)cnn1C(C)C ZINC000685936355 539098868 /nfs/dbraw/zinc/09/88/68/539098868.db2.gz SHENHLVKPNREOE-UHFFFAOYSA-N 1 0 281.404 1.508 40 0 CDABRO O=C(C1CCC1)N1Cc2cncn2[C@H](C[NH+]2CCCC2)C1 ZINC000247832334 362133422 /nfs/dbraw/zinc/13/34/22/362133422.db2.gz LMTUYZOUNOHEGI-OAHLLOKOSA-N 1 0 288.395 1.662 40 0 CDABRO Cc1ccc(Cc2nsc(N3CC[NH2+]CC3)n2)cc1 ZINC000035761102 343406391 /nfs/dbraw/zinc/40/63/91/343406391.db2.gz ABJNMXHNLHYSLS-UHFFFAOYSA-N 1 0 274.393 1.847 40 0 CDABRO Cc1ccc(CSCC(=O)NCC[NH+](C)C)cc1 ZINC000010111501 348734288 /nfs/dbraw/zinc/73/42/88/348734288.db2.gz GSWQKFANNDBSDI-UHFFFAOYSA-N 1 0 266.410 1.906 40 0 CDABRO O=C(C[C@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]12)N1CCCC1 ZINC000107745926 186189422 /nfs/dbraw/zinc/18/94/22/186189422.db2.gz YFLGMEQNXKYPJD-MUJYYYPQSA-N 1 0 292.423 1.603 40 0 CDABRO CC(=O)NCc1nc2ccccc2n1CCC[NH+](C)C ZINC000061997442 362965467 /nfs/dbraw/zinc/96/54/67/362965467.db2.gz IHCKJKKVWPVGCK-UHFFFAOYSA-N 1 0 274.368 1.624 40 0 CDABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1ccno1)CC2 ZINC000108527820 186220863 /nfs/dbraw/zinc/22/08/63/186220863.db2.gz BZBBLGIJMQBLOW-UHFFFAOYSA-N 1 0 263.341 1.621 40 0 CDABRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000096332288 351542969 /nfs/dbraw/zinc/54/29/69/351542969.db2.gz ZBLAUFZIDYQKPF-HNNXBMFYSA-N 1 0 297.358 1.728 40 0 CDABRO COc1cc(C[NH2+]C(C)C)c(Cl)cc1OCC(N)=O ZINC000036612925 356408997 /nfs/dbraw/zinc/40/89/97/356408997.db2.gz KRGYANGKHMRWMU-UHFFFAOYSA-N 1 0 286.759 1.711 40 0 CDABRO [NH3+]CCN1CCCC[C@H]1CNC(=O)OCc1ccccc1 ZINC000079411413 356993474 /nfs/dbraw/zinc/99/34/74/356993474.db2.gz RBYHRCVNXAGCJY-HNNXBMFYSA-N 1 0 291.395 1.726 40 0 CDABRO [NH3+]CCN1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000079411430 356994198 /nfs/dbraw/zinc/99/41/98/356994198.db2.gz KYUSYZBGFIRAST-UHFFFAOYSA-N 1 0 291.395 1.584 40 0 CDABRO C[NH+](C)CCCNC(=O)CCCOc1ccccc1 ZINC000014400662 357263980 /nfs/dbraw/zinc/26/39/80/357263980.db2.gz UBNPYEVWKFYVAD-UHFFFAOYSA-N 1 0 264.369 1.914 40 0 CDABRO Cc1nc(C2CC[NH2+]CC2)cc(N2CCC[C@@H](CO)C2)n1 ZINC000072365222 357831261 /nfs/dbraw/zinc/83/12/61/357831261.db2.gz PRRMSEMCZDTWPV-CYBMUJFWSA-N 1 0 290.411 1.461 40 0 CDABRO CN(C)C[C@@H]1C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]2[N@@H+]1C ZINC000096185557 358714224 /nfs/dbraw/zinc/71/42/24/358714224.db2.gz NYCMELLRCVPEDZ-IPYPFGDCSA-N 1 0 290.411 1.111 40 0 CDABRO CC(C)[N@@H+]1C[C@@H](N(C)Cc2cncnc2)[C@@H]2OCCC[C@@H]21 ZINC000096186924 358714978 /nfs/dbraw/zinc/71/49/78/358714978.db2.gz QREBMZCTYUAFMH-ARFHVFGLSA-N 1 0 290.411 1.549 40 0 CDABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(C(=O)N1CCCC1)C2 ZINC000096218575 358722099 /nfs/dbraw/zinc/72/20/99/358722099.db2.gz MREFTKDFRFURJV-UKRRQHHQSA-N 1 0 281.400 1.102 40 0 CDABRO COCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC000096246094 358725618 /nfs/dbraw/zinc/72/56/18/358725618.db2.gz HQBCKPZUXHESGC-GXTWGEPZSA-N 1 0 294.420 1.788 40 0 CDABRO CC(C)n1nc(C[NH+]2CCCC2)c2c1CN(CCO)CC2 ZINC000096255958 358728931 /nfs/dbraw/zinc/72/89/31/358728931.db2.gz RFXITCBAZGZKPZ-UHFFFAOYSA-N 1 0 292.427 1.410 40 0 CDABRO CSc1nc(Cl)cc(N2CC[NH2+][C@@H](C)C2)n1 ZINC000072203132 359048186 /nfs/dbraw/zinc/04/81/86/359048186.db2.gz NBDWGVJEIIFSPF-ZETCQYMHSA-N 1 0 258.778 1.650 40 0 CDABRO COC(=O)CCN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000078664824 283798491 /nfs/dbraw/zinc/79/84/91/283798491.db2.gz KRVBBOJRQBMPNT-CQSZACIVSA-N 1 0 268.401 1.890 40 0 CDABRO O=C(NCCCO)c1cc[n+](Cc2ccccc2)cc1 ZINC000027666082 364839635 /nfs/dbraw/zinc/83/96/35/364839635.db2.gz MGBAZOJPAIESJF-UHFFFAOYSA-O 1 0 271.340 1.135 40 0 CDABRO C[C@@H](O)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000195542346 189677972 /nfs/dbraw/zinc/67/79/72/189677972.db2.gz IGHSFRYLJWTOAE-UQOMUDLDSA-N 1 0 280.412 1.527 40 0 CDABRO [NH3+]CCOc1nn(-c2ccccc2)cc1Br ZINC000218292834 365365545 /nfs/dbraw/zinc/36/55/45/365365545.db2.gz GVOYLIFPBLJWOQ-UHFFFAOYSA-N 1 0 282.141 1.972 40 0 CDABRO CC[C@@H](CO)[NH+]1CCN(CCC(F)(F)F)CC1 ZINC000075961320 366938259 /nfs/dbraw/zinc/93/82/59/366938259.db2.gz FZDXZKXLZIBLRD-JTQLQIEISA-N 1 0 254.296 1.327 40 0 CDABRO CN(CC[NH3+])C(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000054417351 367215147 /nfs/dbraw/zinc/21/51/47/367215147.db2.gz OKMQAKQQWOZPIR-UONOGXRCSA-N 1 0 262.353 1.571 40 0 CDABRO O=C1C[C@]2(CC[NH2+]C2)CN1c1ccc(F)c(F)c1 ZINC000306126662 367315434 /nfs/dbraw/zinc/31/54/34/367315434.db2.gz FBFSQUPLFVVFGD-ZDUSSCGKSA-N 1 0 252.264 1.681 40 0 CDABRO C[C@H]1CN(c2cccc(CC3CC[NH2+]CC3)n2)C(=O)O1 ZINC000257322286 374421485 /nfs/dbraw/zinc/42/14/85/374421485.db2.gz WFIUQVWREIUGJB-NSHDSACASA-N 1 0 275.352 1.969 40 0 CDABRO CN1CCN(C)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306127331 374967262 /nfs/dbraw/zinc/96/72/62/374967262.db2.gz FWBADEJYUGWBLQ-HNNXBMFYSA-N 1 0 299.422 1.853 40 0 CDABRO CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000080599467 374971739 /nfs/dbraw/zinc/97/17/39/374971739.db2.gz DGYFWVYDCKLMIP-UHFFFAOYSA-N 1 0 282.432 1.256 40 0 CDABRO CCCn1cc(C[NH2+]Cc2c(C)cnn2C)c(C)n1 ZINC000256052275 190004146 /nfs/dbraw/zinc/00/41/46/190004146.db2.gz MQPUYIMHAQZNHR-UHFFFAOYSA-N 1 0 261.373 1.933 40 0 CDABRO O=C(NCc1ccc2c(c1)CCCO2)[C@@H]1CC[NH2+]C1 ZINC000257198036 190010308 /nfs/dbraw/zinc/01/03/08/190010308.db2.gz QZMJIOOYAOSADV-CYBMUJFWSA-N 1 0 260.337 1.237 40 0 CDABRO c1cc(C[N@@H+]2CCC3(CC(Nc4ccncn4)C3)C2)n[nH]1 ZINC000257209105 190012202 /nfs/dbraw/zinc/01/22/02/190012202.db2.gz BOZGYNLSMSSRCK-UHFFFAOYSA-N 1 0 284.367 1.666 40 0 CDABRO CN(C)C(=O)[C@@H]1CN(Cc2ccccc2F)CC[N@H+](C)C1 ZINC000257233277 190017414 /nfs/dbraw/zinc/01/74/14/190017414.db2.gz GOOUWFMSILGMCA-AWEZNQCLSA-N 1 0 293.386 1.278 40 0 CDABRO Cc1ccnc([C@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257266617 190023562 /nfs/dbraw/zinc/02/35/62/190023562.db2.gz MDSSHVGJYIIBEI-AWEZNQCLSA-N 1 0 298.394 1.631 40 0 CDABRO C[C@@H](c1ccccc1)N1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000102774211 296235687 /nfs/dbraw/zinc/23/56/87/296235687.db2.gz VPTURGDGEBLVCX-DLOVCJGASA-N 1 0 296.417 1.897 40 0 CDABRO [NH3+]CC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1 ZINC000257291274 190027560 /nfs/dbraw/zinc/02/75/60/190027560.db2.gz QGICOZBFAYTUKR-NSHDSACASA-N 1 0 268.744 1.069 40 0 CDABRO C[N@@H+]1CCC[C@@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257300542 190029158 /nfs/dbraw/zinc/02/91/58/190029158.db2.gz RURBJGPKDXTDQP-LLVKDONJSA-N 1 0 261.325 1.847 40 0 CDABRO CNC(=O)c1c[nH]nc1[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000257304080 190030283 /nfs/dbraw/zinc/03/02/83/190030283.db2.gz SJZGJRKSCZIQHN-AWEZNQCLSA-N 1 0 298.390 1.801 40 0 CDABRO COCCNC(=O)c1cc([C@H]2CC[NH2+]C2)nc2ccccc21 ZINC000257317346 190032681 /nfs/dbraw/zinc/03/26/81/190032681.db2.gz VJKBOHMSHMCHOE-LBPRGKRZSA-N 1 0 299.374 1.688 40 0 CDABRO COCCN(Cc1ccccn1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042170108 379551347 /nfs/dbraw/zinc/55/13/47/379551347.db2.gz JDLQVCGETUUVDA-ZDUSSCGKSA-N 1 0 277.368 1.199 40 0 CDABRO O=Cc1ccc(OC[C@H](O)C[n+]2ccccc2)cc1 ZINC000000297642 169601011 /nfs/dbraw/zinc/60/10/11/169601011.db2.gz UMTLAKXINDRRRC-CQSZACIVSA-N 1 0 258.297 1.227 40 0 CDABRO CCN(CC)C(=O)[C@@H]1CCCN1[C@H](C[NH3+])C(F)(F)F ZINC000242390314 256699452 /nfs/dbraw/zinc/69/94/52/256699452.db2.gz AKCHINCQNYUUKT-VHSXEESVSA-N 1 0 281.322 1.209 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000079409626 390421422 /nfs/dbraw/zinc/42/14/22/390421422.db2.gz KZEPYOWDSSZRPE-TUAOUCFPSA-N 1 0 299.415 1.628 40 0 CDABRO COC(=O)c1cnc(C2CC2)nc1C1CC[NH2+]CC1 ZINC000096517129 390532001 /nfs/dbraw/zinc/53/20/01/390532001.db2.gz ZJXDRWVRKBCJQI-UHFFFAOYSA-N 1 0 261.325 1.608 40 0 CDABRO Cc1nn(C)c(C)c1CCN(C)C[C@@H]1CCC[NH2+]1 ZINC000096523694 390537386 /nfs/dbraw/zinc/53/73/86/390537386.db2.gz IJWPRTBGGVVCFQ-ZDUSSCGKSA-N 1 0 250.390 1.263 40 0 CDABRO CC[C@@H]([C@H]([NH3+])c1ccc(OC)cc1)S(C)(=O)=O ZINC000096524919 390539689 /nfs/dbraw/zinc/53/96/89/390539689.db2.gz VTQUSULPHMQUGY-NWDGAFQWSA-N 1 0 257.355 1.518 40 0 CDABRO C[N@@H+]1CCN(c2ncccn2)C[C@@H]1c1ccccc1 ZINC000072366658 390628094 /nfs/dbraw/zinc/62/80/94/390628094.db2.gz QWJSLMWMTAPIHL-CQSZACIVSA-N 1 0 254.337 1.970 40 0 CDABRO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]2C(=O)CCCC[C@@H]21 ZINC000095951499 390911871 /nfs/dbraw/zinc/91/18/71/390911871.db2.gz SIHSXNRSSWYSFM-TUAOUCFPSA-N 1 0 253.342 1.772 40 0 CDABRO CC[C@](C)(O)C[NH2+][C@@H]1[C@@H](O)[C@]2(C)CC[C@H]1C2(C)C ZINC000245239330 391345283 /nfs/dbraw/zinc/34/52/83/391345283.db2.gz HVDIZGMTRLRDBQ-MIBAYGRRSA-N 1 0 255.402 1.923 40 0 CDABRO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000195575875 391390213 /nfs/dbraw/zinc/39/02/13/391390213.db2.gz LVHKJWZGIVLNCW-MGPQQGTHSA-N 1 0 286.441 1.602 40 0 CDABRO CNc1ncc(C[NH2+]CCCOc2ccccn2)cn1 ZINC000062717499 391570712 /nfs/dbraw/zinc/57/07/12/391570712.db2.gz UZOBANWCHSCJNV-UHFFFAOYSA-N 1 0 273.340 1.472 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@H](C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000242614962 391943673 /nfs/dbraw/zinc/94/36/73/391943673.db2.gz PMYFSPNGJWZBLC-GMTAPVOTSA-N 1 0 259.758 1.425 40 0 CDABRO [NH3+]CCOc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000218792426 130770900 /nfs/dbraw/zinc/77/09/00/130770900.db2.gz MIJFKUWDOSSWBM-UHFFFAOYSA-N 1 0 260.337 1.713 40 0 CDABRO CO[C@H]1CC[N@H+](CC2CCOCC2)C[C@@]12CCCO2 ZINC000257299649 286058689 /nfs/dbraw/zinc/05/86/89/286058689.db2.gz RQYNEFVDRDKOBH-GJZGRUSLSA-N 1 0 269.385 1.683 40 0 CDABRO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000005183959 170074452 /nfs/dbraw/zinc/07/44/52/170074452.db2.gz SUDCEILGWAMGNB-UHFFFAOYSA-N 1 0 263.341 1.001 40 0 CDABRO COc1ccc(OC)c([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000022162136 171364235 /nfs/dbraw/zinc/36/42/35/171364235.db2.gz QTTXXVGVYBTEEU-HUBLWGQQSA-N 1 0 294.395 1.813 40 0 CDABRO O=C(Cc1cccc(Br)c1)N[C@H]1CCC[NH2+]C1 ZINC000071396953 176150409 /nfs/dbraw/zinc/15/04/09/176150409.db2.gz KGMPSZZLCIPYMQ-LBPRGKRZSA-N 1 0 297.196 1.860 40 0 CDABRO CC[C@@](O)(C[NH3+])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072208077 176342960 /nfs/dbraw/zinc/34/29/60/176342960.db2.gz XVTLGSGBZVAHQK-BXUZGUMPSA-N 1 0 272.389 1.733 40 0 CDABRO COCCNc1cncc(C2CC[NH+](C)CC2)n1 ZINC000072386651 176392302 /nfs/dbraw/zinc/39/23/02/176392302.db2.gz SVAYSFGZYCXTEI-UHFFFAOYSA-N 1 0 250.346 1.344 40 0 CDABRO Cc1nonc1CNc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072386952 176392678 /nfs/dbraw/zinc/39/26/78/176392678.db2.gz OMVGFWNPKZOFTG-JTQLQIEISA-N 1 0 259.313 1.810 40 0 CDABRO Cc1cnc(C[C@H]2COCC[N@@H+](C3CCOCC3)C2)cn1 ZINC000072388207 176393215 /nfs/dbraw/zinc/39/32/15/176393215.db2.gz VTYKYRBEUYOQCE-CQSZACIVSA-N 1 0 291.395 1.455 40 0 CDABRO COc1ccc([C@H]2C[C@H](C)[N@H+](CCS(C)(=O)=O)C2)cc1 ZINC000076393053 177014424 /nfs/dbraw/zinc/01/44/24/177014424.db2.gz WPLZMBYXNBJWHB-JSGCOSHPSA-N 1 0 297.420 1.918 40 0 CDABRO O=C1N(Cc2ccccn2)C[C@H]2C[N@H+](CC3CC3)CCN12 ZINC000077266622 177247201 /nfs/dbraw/zinc/24/72/01/177247201.db2.gz XWPMBVAJRSRUSQ-OAHLLOKOSA-N 1 0 286.379 1.413 40 0 biogenic,in-vitro CDABRO O=C(CN(Cc1ccno1)C[C@@H]1CCCO1)N1CCCC1 ZINC000072828993 260164812 /nfs/dbraw/zinc/16/48/12/260164812.db2.gz CLZWAVLLYYOYDS-ZDUSSCGKSA-N 1 0 293.367 1.278 40 0 CDABRO O=C1C[C@]2(CC[NH2+]C2)CN1c1ccc2c(c1)OCO2 ZINC000096239429 265345855 /nfs/dbraw/zinc/34/58/55/265345855.db2.gz RGGSUVNRBVYEEJ-AWEZNQCLSA-N 1 0 260.293 1.132 40 0 CDABRO CN1CCC([N@@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)CC1 ZINC000049168807 424366234 /nfs/dbraw/zinc/36/62/34/424366234.db2.gz YVGNPLMJQXRLPO-LBPRGKRZSA-N 1 0 285.395 1.841 40 0 biogenic,in-vitro CDABRO COc1ncnc2c1CC[N@H+](Cc1c(C)noc1C)CC2 ZINC000096058737 278098829 /nfs/dbraw/zinc/09/88/29/278098829.db2.gz BLLJTMAIIMHFTG-UHFFFAOYSA-N 1 0 288.351 1.691 40 0 CDABRO CC(C)(C)OC(=O)N1CCC(N(C(=O)C[NH3+])C2CC2)CC1 ZINC000079391149 278381995 /nfs/dbraw/zinc/38/19/95/278381995.db2.gz DTANVPPHUWFWTL-UHFFFAOYSA-N 1 0 297.399 1.336 40 0 CDABRO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079409762 279299718 /nfs/dbraw/zinc/29/97/18/279299718.db2.gz HEECPVABHSXKGM-NWDGAFQWSA-N 1 0 299.415 1.580 40 0 CDABRO Cc1n[nH]c(C)c1-c1nccnc1C[C@H]1CC[NH2+]C1 ZINC000257264769 293092706 /nfs/dbraw/zinc/09/27/06/293092706.db2.gz LVZBHBZFHRKJCU-LLVKDONJSA-N 1 0 257.341 1.636 40 0 CDABRO c1ccc([PH+](N2CCOCC2)N2CCOCC2)cc1 ZINC000001737365 304855118 /nfs/dbraw/zinc/85/51/18/304855118.db2.gz LQFNADMUTCJBTG-UHFFFAOYSA-N 1 0 280.308 1.288 40 0 CDABRO NC(=O)C[C@H]1COCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC000930674327 797903247 /nfs/dbraw/zinc/90/32/47/797903247.db2.gz DTDJFSDKSBZOIK-ZDUSSCGKSA-N 1 0 266.385 1.533 40 0 CDABRO C[NH+](C)C[C@@H]1CC[C@]2(COCCN(Cc3ccco3)C2)O1 ZINC000096052271 185074245 /nfs/dbraw/zinc/07/42/45/185074245.db2.gz GDBFNEDONSWOJO-HOTGVXAUSA-N 1 0 294.395 1.591 40 0 CDABRO CC[C@@H]1[N@H+](Cc2cnn(C)c2)CCC[C@]12CCC(=O)N2C ZINC000096052414 185074268 /nfs/dbraw/zinc/07/42/68/185074268.db2.gz ZSTUPOBRPUCELI-HOCLYGCPSA-N 1 0 290.411 1.786 40 0 CDABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)N(C)C)C2)C1 ZINC000096049619 185074344 /nfs/dbraw/zinc/07/43/44/185074344.db2.gz OJDATRLHGICDDT-CQSZACIVSA-N 1 0 269.389 1.102 40 0 CDABRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)cc1 ZINC000096056468 185077475 /nfs/dbraw/zinc/07/74/75/185077475.db2.gz VQVFBLKROCQKCA-HUUCEWRRSA-N 1 0 274.364 1.890 40 0 CDABRO c1ncc(O[C@H]2C[C@H]3C[N@H+](CC4CC4)CCN3C2)cn1 ZINC000096055018 185075367 /nfs/dbraw/zinc/07/53/67/185075367.db2.gz GIZHOTULGCNHQK-KBPBESRZSA-N 1 0 274.368 1.024 40 0 CDABRO O=C(NCc1cn2c(n1)C[N@@H+](CC1CC1)CC2)C1CCC1 ZINC000096059472 185081377 /nfs/dbraw/zinc/08/13/77/185081377.db2.gz PSLKYOZKDLECDZ-UHFFFAOYSA-N 1 0 288.395 1.525 40 0 CDABRO O[C@H]1CC[N@H+](Cc2cccnc2)[C@H]1Cc1cccnc1 ZINC000096061636 185083256 /nfs/dbraw/zinc/08/32/56/185083256.db2.gz ATXROFQFGGILTE-HOTGVXAUSA-N 1 0 269.348 1.655 40 0 CDABRO C[C@@H]1N(CC2CC2)C(=O)COC12CC[NH+](CC1CC1)CC2 ZINC000096062251 185083278 /nfs/dbraw/zinc/08/32/78/185083278.db2.gz BYXCWGRTDBUXMT-ZDUSSCGKSA-N 1 0 292.423 1.888 40 0 CDABRO COCC[N@@H+]1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096072449 185088271 /nfs/dbraw/zinc/08/82/71/185088271.db2.gz QFUGTLDKZSMHCV-LSDHHAIUSA-N 1 0 278.352 1.340 40 0 CDABRO COCC[N@@H+]1CC[C@@]12CCN(C(=O)c1ccccc1F)C2 ZINC000096075959 185089161 /nfs/dbraw/zinc/08/91/61/185089161.db2.gz NYFSMQLCQCBHKU-MRXNPFEDSA-N 1 0 292.354 1.763 40 0 CDABRO C[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2c1ccsc1 ZINC000096081362 185090608 /nfs/dbraw/zinc/09/06/08/185090608.db2.gz XRUYUHQNSJCMCJ-RYUDHWBXSA-N 1 0 293.392 1.016 40 0 CDABRO C[NH+](C)C[C@@H]1Cn2nccc2CN(C2CCOCC2)C1 ZINC000248125754 282128860 /nfs/dbraw/zinc/12/88/60/282128860.db2.gz OOAAYXFQBSKOPZ-ZDUSSCGKSA-N 1 0 278.400 1.056 40 0 CDABRO CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)CN(C)C(=O)C1 ZINC000096113423 185100510 /nfs/dbraw/zinc/10/05/10/185100510.db2.gz CHCJTBXQULVUSG-ZIAGYGMSSA-N 1 0 297.443 1.434 40 0 biogenic,in-vitro CDABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)[C@@H]1O ZINC000585292033 342258993 /nfs/dbraw/zinc/25/89/93/342258993.db2.gz VZLGQPXLZGXJNQ-OAGGEKHMSA-N 1 0 290.363 1.374 40 0 CDABRO CO[C@H]1CN(Cc2ncccc2F)CC[C@@]12CCCO2 ZINC000257330724 362587097 /nfs/dbraw/zinc/58/70/97/362587097.db2.gz XPQAEWRGQNKQLV-GJZGRUSLSA-N 1 0 280.343 1.991 40 0 CDABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C)[C@H]2C1 ZINC000107260295 186164092 /nfs/dbraw/zinc/16/40/92/186164092.db2.gz DVLZWPLMKDAPIO-JKSUJKDBSA-N 1 0 258.365 1.881 40 0 CDABRO CN1CC[C@@]2(CCC[N@H+](Cc3ccncc3)CC2)C1=O ZINC000108527018 186220657 /nfs/dbraw/zinc/22/06/57/186220657.db2.gz YVVZNSXPLHKVFO-MRXNPFEDSA-N 1 0 273.380 1.916 40 0 CDABRO C(CN1CCOCC1)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000001676236 355946268 /nfs/dbraw/zinc/94/62/68/355946268.db2.gz RIRPALZBRVUNDU-GJZGRUSLSA-N 1 0 252.402 1.831 40 0 CDABRO CC(=O)Nn1c(-c2ccccc2)c[n+]2ccccc12 ZINC000001870597 355953276 /nfs/dbraw/zinc/95/32/76/355953276.db2.gz ACABSWVBLYFEQI-UHFFFAOYSA-O 1 0 252.297 1.984 40 0 CDABRO CC(=O)Nc1ccc2c(cnn2CC2(O)CC[NH2+]CC2)c1 ZINC000019022747 356474980 /nfs/dbraw/zinc/47/49/80/356474980.db2.gz CSZIVRWQUKFQJM-UHFFFAOYSA-N 1 0 288.351 1.109 40 0 CDABRO CCN(CC[NH3+])[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391775 356988462 /nfs/dbraw/zinc/98/84/62/356988462.db2.gz QWMOZIRGKNUUDS-HNNXBMFYSA-N 1 0 291.395 1.678 40 0 CDABRO C[C@H]([NH3+])C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391198 356988543 /nfs/dbraw/zinc/98/85/43/356988543.db2.gz AJNBCMCHPDRBQB-QWRGUYRKSA-N 1 0 285.388 1.097 40 0 CDABRO CC(=O)N(C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1)C1CC1 ZINC000079418116 356994880 /nfs/dbraw/zinc/99/48/80/356994880.db2.gz IAYOPOCIUJYPMQ-HIFRSBDPSA-N 1 0 295.427 1.219 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H](C)c1cnccn1 ZINC000079435836 356996233 /nfs/dbraw/zinc/99/62/33/356996233.db2.gz NMPTVPDYMDUJQB-YPMHNXCESA-N 1 0 264.373 1.758 40 0 CDABRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1cccs1 ZINC000057399765 357356392 /nfs/dbraw/zinc/35/63/92/357356392.db2.gz UBSZPRMSBCSQRU-ZDUSSCGKSA-N 1 0 260.362 1.934 40 0 CDABRO CO[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089223632 357490028 /nfs/dbraw/zinc/49/00/28/357490028.db2.gz HCUGBUFSXPXVQD-NWDGAFQWSA-N 1 0 272.389 1.868 40 0 CDABRO Cc1ccccc1CS(=O)(=O)NC1CC[NH+](C)CC1 ZINC000074861078 357929003 /nfs/dbraw/zinc/92/90/03/357929003.db2.gz LKKVRSZLWCXLPW-UHFFFAOYSA-N 1 0 282.409 1.509 40 0 CDABRO C[N@@H+]1C[C@H](CO)CC12CN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000585093821 358098608 /nfs/dbraw/zinc/09/86/08/358098608.db2.gz HRENZTBOUQYCEJ-SNVBAGLBSA-N 1 0 296.317 1.103 40 0 CDABRO CNc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC000019655620 358103346 /nfs/dbraw/zinc/10/33/46/358103346.db2.gz WRAFBVSMYFXTTA-CQSZACIVSA-N 1 0 288.395 1.824 40 0 CDABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000082332429 358160809 /nfs/dbraw/zinc/16/08/09/358160809.db2.gz PQTPSLOYVOZHKQ-LLVKDONJSA-N 1 0 278.352 1.984 40 0 CDABRO CN(C)C(=O)CN1CCC2(C[NH+](Cc3cccs3)C2)C1 ZINC000096202645 358719549 /nfs/dbraw/zinc/71/95/49/358719549.db2.gz XACKOPXGCOXOJD-UHFFFAOYSA-N 1 0 293.436 1.344 40 0 CDABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1cocn1)CC2 ZINC000096216198 358721131 /nfs/dbraw/zinc/72/11/31/358721131.db2.gz FCVOZIYDGZSRML-GFCCVEGCSA-N 1 0 293.367 1.248 40 0 CDABRO C[N@@H+]1CCCC[C@@]12CCCN(C(=O)c1cnccn1)C2 ZINC000096217575 358722243 /nfs/dbraw/zinc/72/22/43/358722243.db2.gz NJGQINXDKCLCIB-HNNXBMFYSA-N 1 0 274.368 1.567 40 0 CDABRO CCN1CCN(C)C2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000096230028 358723700 /nfs/dbraw/zinc/72/37/00/358723700.db2.gz WTXSKWQBZHWUPR-UHFFFAOYSA-N 1 0 291.395 1.408 40 0 CDABRO COCC[N@@H+]1CCCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096227887 358723858 /nfs/dbraw/zinc/72/38/58/358723858.db2.gz LWPVUZNUARERPA-UHFFFAOYSA-N 1 0 292.379 1.997 40 0 CDABRO Cc1ncnc2c1CC[N@H+](CC1CCOCC1)CC2 ZINC000096254993 358727956 /nfs/dbraw/zinc/72/79/56/358727956.db2.gz AGBZJTKAJPPQMI-UHFFFAOYSA-N 1 0 261.369 1.612 40 0 CDABRO c1nc2c(c(C3CC3)n1)CC[N@@H+](C1CCOCC1)CC2 ZINC000096255127 358728899 /nfs/dbraw/zinc/72/88/99/358728899.db2.gz BRXWCBQWJLFZFV-UHFFFAOYSA-N 1 0 273.380 1.934 40 0 CDABRO O=C(Nc1cccc(F)c1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000096268884 358730334 /nfs/dbraw/zinc/73/03/34/358730334.db2.gz YOQACHAWBQDFJV-AWEZNQCLSA-N 1 0 277.299 1.663 40 0 CDABRO C[NH+](C)CCNc1nn2cnnc2c2ccccc21 ZINC000027913272 358904193 /nfs/dbraw/zinc/90/41/93/358904193.db2.gz WUPGIIYPFMCWKF-UHFFFAOYSA-N 1 0 256.313 1.251 40 0 CDABRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000044541156 283498913 /nfs/dbraw/zinc/49/89/13/283498913.db2.gz ADGZIXBINHFSHU-LLVKDONJSA-N 1 0 262.309 1.369 40 0 CDABRO CC1CC[NH+](CCCNC(=O)c2cccnc2)CC1 ZINC000225429305 189751211 /nfs/dbraw/zinc/75/12/11/189751211.db2.gz WINXZPQKMXFSFY-UHFFFAOYSA-N 1 0 261.369 1.933 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079409694 284193323 /nfs/dbraw/zinc/19/33/23/284193323.db2.gz HCRBRIGZWZATCV-NWDGAFQWSA-N 1 0 299.415 1.582 40 0 CDABRO CN[C@H](C[NH3+])c1cc(Br)ccc1OC ZINC000050269945 373066870 /nfs/dbraw/zinc/06/68/70/373066870.db2.gz JELDZDUBCPGZNM-SECBINFHSA-N 1 0 259.147 1.677 40 0 CDABRO Cc1cc(N)nc(SCc2nnnn2-c2ccccc2)n1 ZINC000078989033 374751031 /nfs/dbraw/zinc/75/10/31/374751031.db2.gz WZFRXOAGZXRHMR-UHFFFAOYSA-N 1 0 299.363 1.635 40 0 CDABRO O=C(NCCO)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000042875434 374877434 /nfs/dbraw/zinc/87/74/34/374877434.db2.gz ONJUVYFRYHMOBZ-UHFFFAOYSA-N 1 0 283.416 1.467 40 0 CDABRO COc1ccc(NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000306136918 374970132 /nfs/dbraw/zinc/97/01/32/374970132.db2.gz QGUFBOUYYOUAEZ-OAHLLOKOSA-N 1 0 289.335 1.532 40 0 CDABRO O=C(Nc1ncccn1)c1ccc(C[NH+]2CCCC2)o1 ZINC000027984045 375168678 /nfs/dbraw/zinc/16/86/78/375168678.db2.gz OVRLHDVLBRXVAH-UHFFFAOYSA-N 1 0 272.308 1.918 40 0 CDABRO C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H](C)N1C[C@H]1CCOC1 ZINC000225598699 375169712 /nfs/dbraw/zinc/16/97/12/375169712.db2.gz DXKAABMWUJOQEF-QKPAOTATSA-N 1 0 282.428 1.454 40 0 CDABRO C[N@@H+]1CCC[C@@H]1c1ccnc(C(=O)NCC2CC2)c1 ZINC000257205129 190011284 /nfs/dbraw/zinc/01/12/84/190011284.db2.gz AXUPWHQQNRFMSN-CQSZACIVSA-N 1 0 259.353 1.988 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3n[nH]cc3C)C2)CC1 ZINC000257205534 190011798 /nfs/dbraw/zinc/01/17/98/190011798.db2.gz AZMWZGPTBTYUCZ-ZDUSSCGKSA-N 1 0 276.384 1.518 40 0 CDABRO Cc1ccccc1-c1cc(NC(=O)[C@@H]2C[NH2+]CCO2)n[nH]1 ZINC000257197929 190010109 /nfs/dbraw/zinc/01/01/09/190010109.db2.gz NOXNCKBVQUXONU-ZDUSSCGKSA-N 1 0 286.335 1.312 40 0 CDABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cnc(C)nc1 ZINC000257229511 190016440 /nfs/dbraw/zinc/01/64/40/190016440.db2.gz FYJHERJMUVVALL-MRXNPFEDSA-N 1 0 298.390 1.940 40 0 CDABRO Cc1ncc(-c2cc(C3CC[NH2+]CC3)nc(C)n2)n1C ZINC000257220785 190014889 /nfs/dbraw/zinc/01/48/89/190014889.db2.gz DMDNFDHTFGOGJK-UHFFFAOYSA-N 1 0 271.368 1.961 40 0 CDABRO Cn1ccnc1-c1nccnc1C[C@@H]1CCC[NH2+]C1 ZINC000257282344 190026365 /nfs/dbraw/zinc/02/63/65/190026365.db2.gz OTJPGXQDXFNRMY-NSHDSACASA-N 1 0 257.341 1.419 40 0 CDABRO Cc1ccnn1CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257284446 190026497 /nfs/dbraw/zinc/02/64/97/190026497.db2.gz PCTGDFYJXGNISM-INIZCTEOSA-N 1 0 298.390 1.755 40 0 CDABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2cc[nH]n2)C1 ZINC000257273741 190024379 /nfs/dbraw/zinc/02/43/79/190024379.db2.gz NIAIPFNEZUXILD-LBPRGKRZSA-N 1 0 287.367 1.693 40 0 CDABRO [NH3+]CC(=O)N1CCO[C@H](Cc2ccccc2Cl)C1 ZINC000257291273 190027933 /nfs/dbraw/zinc/02/79/33/190027933.db2.gz QGICOZBFAYTUKR-LLVKDONJSA-N 1 0 268.744 1.069 40 0 CDABRO Cc1ccc(CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)s1 ZINC000257305975 190031312 /nfs/dbraw/zinc/03/13/12/190031312.db2.gz SSHZYBSGOZJVDF-CQSZACIVSA-N 1 0 282.409 1.124 40 0 CDABRO Cc1cnc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@H+]3C)cn1 ZINC000257316004 190032843 /nfs/dbraw/zinc/03/28/43/190032843.db2.gz VDSABRWOPSGTQP-HOCLYGCPSA-N 1 0 288.395 1.874 40 0 CDABRO CS(=O)(=O)N1[C@H](c2ccccc2)C[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257318556 190033444 /nfs/dbraw/zinc/03/34/44/190033444.db2.gz VOLBSFYGCJFXHX-ILXRZTDVSA-N 1 0 294.420 1.904 40 0 CDABRO c1ccc([C@@H]2C[NH2+]CCN2Cc2cncnc2)cc1 ZINC000257334252 190035552 /nfs/dbraw/zinc/03/55/52/190035552.db2.gz YFEAANBNQCMXGT-HNNXBMFYSA-N 1 0 254.337 1.623 40 0 CDABRO CC[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1C ZINC000002710249 378051761 /nfs/dbraw/zinc/05/17/61/378051761.db2.gz FOOBAHXAMONGOR-OLZOCXBDSA-N 1 0 253.342 1.095 40 0 CDABRO COc1cc(NC(=O)[C@@H]2CCC[NH2+]2)cc(OC)c1 ZINC000019412537 378179718 /nfs/dbraw/zinc/17/97/18/378179718.db2.gz BYLAYHSDODZAJV-LBPRGKRZSA-N 1 0 250.298 1.394 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000242620181 256698424 /nfs/dbraw/zinc/69/84/24/256698424.db2.gz PWSMPRDFWBEELT-QJPTWQEYSA-N 1 0 273.785 1.815 40 0 CDABRO CC(=O)N1CCN(c2ncc([C@@H](C)[NH3+])cc2C)CC1 ZINC000072222695 256705791 /nfs/dbraw/zinc/70/57/91/256705791.db2.gz XPHVNLPYOQUIHM-LLVKDONJSA-N 1 0 262.357 1.078 40 0 CDABRO CNc1ncc(C[NH2+]C[C@H](O)c2ccccc2)cn1 ZINC000062717461 256722238 /nfs/dbraw/zinc/72/22/38/256722238.db2.gz ZACUPBUBEZZNGT-ZDUSSCGKSA-N 1 0 258.325 1.342 40 0 CDABRO CCC(CC)C[NH2+]C[C@@H]1Cn2nnc(C)c2CO1 ZINC000096199167 256819378 /nfs/dbraw/zinc/81/93/78/256819378.db2.gz PQVRXKIIDAAHMM-GFCCVEGCSA-N 1 0 252.362 1.511 40 0 CDABRO CCCCCC[N@H+](C)C12CN3CN(CN(C3)C1)C2 ZINC000019319038 390226260 /nfs/dbraw/zinc/22/62/60/390226260.db2.gz GLVQWYHONYFDHR-UHFFFAOYSA-N 1 0 252.406 1.057 40 0 CDABRO O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)c1ccsc1 ZINC000096157251 390913291 /nfs/dbraw/zinc/91/32/91/390913291.db2.gz VHIIDYAVBRHEKR-GFCCVEGCSA-N 1 0 280.393 1.779 40 0 CDABRO C[C@H](NCCC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000026439560 391106122 /nfs/dbraw/zinc/10/61/22/391106122.db2.gz MNFVVDCATODWRQ-OLZOCXBDSA-N 1 0 255.406 1.317 40 0 CDABRO CO[C@@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 ZINC000247917661 391423287 /nfs/dbraw/zinc/42/32/87/391423287.db2.gz ZPZJWMRQJRONOB-CQSZACIVSA-N 1 0 250.342 1.498 40 0 CDABRO OCCOc1cccc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)c1 ZINC000257322781 391649572 /nfs/dbraw/zinc/64/95/72/391649572.db2.gz WHJLDMREONBYKA-AWEZNQCLSA-N 1 0 287.363 1.770 40 0 CDABRO CC(C)[N@@H+]1CCC[C@@H]1c1cncc(N2CCOC2=O)n1 ZINC000257301942 391649791 /nfs/dbraw/zinc/64/97/91/391649791.db2.gz SARKJDZUQGKMOO-GFCCVEGCSA-N 1 0 276.340 1.979 40 0 CDABRO CO[C@@H]1CCN(C(=O)c2ccoc2C)[C@H](C[NH3+])C1 ZINC000161069284 391805119 /nfs/dbraw/zinc/80/51/19/391805119.db2.gz VIJYKZMVWZALFD-WDEREUQCSA-N 1 0 252.314 1.166 40 0 CDABRO CNC(=O)CN1CCC([NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000133985447 391936869 /nfs/dbraw/zinc/93/68/69/391936869.db2.gz AJZMCTUYPDVKIO-GOEBONIOSA-N 1 0 293.455 1.779 40 0 CDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccc2c(c1)OCO2 ZINC000242687315 391944979 /nfs/dbraw/zinc/94/49/79/391944979.db2.gz UEVQFQHLXDQCMU-QWRGUYRKSA-N 1 0 263.293 1.234 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@H]1C[NH3+] ZINC000218618578 130769912 /nfs/dbraw/zinc/76/99/12/130769912.db2.gz XVEKETYUKFVLJG-WOPDTQHZSA-N 1 0 257.330 1.301 40 0 CDABRO NC(=O)[C@H](O[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000217520683 397606929 /nfs/dbraw/zinc/60/69/29/397606929.db2.gz ZUKXEVOLGLXVLK-VXGBXAGGSA-N 1 0 268.744 1.635 40 0 CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000004969414 287023436 /nfs/dbraw/zinc/02/34/36/287023436.db2.gz KXJXPBGNJQXIQU-HZSPNIEDSA-N 1 0 269.433 1.421 40 0 CDABRO CCc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000005184174 170074628 /nfs/dbraw/zinc/07/46/28/170074628.db2.gz XMWHIXGVBVCBPE-UHFFFAOYSA-N 1 0 277.368 1.255 40 0 CDABRO [NH3+]CCN1C(=O)S[C@@H](Cc2ccc(Cl)cc2)C1=O ZINC000006506153 170208011 /nfs/dbraw/zinc/20/80/11/170208011.db2.gz DLRNJQDBDOVGAL-JTQLQIEISA-N 1 0 284.768 1.905 40 0 CDABRO COc1cccc(O[C@H](C)C(=O)NCCC[NH+](C)C)c1 ZINC000020456633 171208420 /nfs/dbraw/zinc/20/84/20/171208420.db2.gz VTNPOSSAULORDV-GFCCVEGCSA-N 1 0 280.368 1.530 40 0 CDABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+](C)C ZINC000020460373 171209691 /nfs/dbraw/zinc/20/96/91/171209691.db2.gz UWODOZDHFYNPNV-OAHLLOKOSA-N 1 0 294.395 1.921 40 0 CDABRO COc1cccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c1OC ZINC000022161722 171364185 /nfs/dbraw/zinc/36/41/85/171364185.db2.gz SUUAHXZFOMJMML-OBJOEFQTSA-N 1 0 294.395 1.813 40 0 CDABRO [NH3+]C[C@H]1OC(=O)C(Oc2ccccc2)=C1Br ZINC000034791371 171867291 /nfs/dbraw/zinc/86/72/91/171867291.db2.gz JNGHSBWNNZLYAY-MRVPVSSYSA-N 1 0 284.109 1.556 40 0 CDABRO COC(=O)C1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000040458812 174269126 /nfs/dbraw/zinc/26/91/26/174269126.db2.gz AGMBZCOYTBEWJN-CYBMUJFWSA-N 1 0 276.336 1.098 40 0 CDABRO O=c1[nH]c2ccccc2c(=O)n1CCC[NH+]1CCCCC1 ZINC000057529637 175597703 /nfs/dbraw/zinc/59/77/03/175597703.db2.gz TYYYNIGPHYCEDH-UHFFFAOYSA-N 1 0 287.363 1.566 40 0 CDABRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000063171005 175683347 /nfs/dbraw/zinc/68/33/47/175683347.db2.gz HKGDYHRHXMQASP-VIFPVBQESA-N 1 0 276.789 1.664 40 0 CDABRO COc1ccc(Cl)c2c(=O)c3c(n(C)c12)CC[NH2+]C3 ZINC000072221280 176343361 /nfs/dbraw/zinc/34/33/61/176343361.db2.gz SBFULOTZHWQIQV-UHFFFAOYSA-N 1 0 278.739 1.846 40 0 CDABRO Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2C[NH+](C)C)cc1Cl ZINC000072246118 176350077 /nfs/dbraw/zinc/35/00/77/176350077.db2.gz HGAABIRSKXVAQJ-WDEREUQCSA-N 1 0 298.818 1.924 40 0 CDABRO Cc1cc(=O)cc([C@@H]2CCC[N@@H+]2C2CCOCC2)[nH]1 ZINC000072364352 176379238 /nfs/dbraw/zinc/37/92/38/176379238.db2.gz ITGDSPLUYOQEHF-HNNXBMFYSA-N 1 0 262.353 1.999 40 0 CDABRO Cn1cc(C(=O)N2CCC[C@@H](CC[NH+](C)C)C2)cn1 ZINC000072368558 176383520 /nfs/dbraw/zinc/38/35/20/176383520.db2.gz KEUHJHGCENSHCA-LBPRGKRZSA-N 1 0 264.373 1.224 40 0 CDABRO C[C@@]1(C(N)=O)C[N@H+](Cc2cccc3ccccc32)CCO1 ZINC000072379455 176386478 /nfs/dbraw/zinc/38/64/78/176386478.db2.gz FACAUZJEWBWVCC-KRWDZBQOSA-N 1 0 284.359 1.916 40 0 CDABRO C[N@@H+]1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000072383486 176389059 /nfs/dbraw/zinc/38/90/59/176389059.db2.gz CODUKAZUXXQVIE-GFCCVEGCSA-N 1 0 284.367 1.895 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccccc1F ZINC000072397631 176394817 /nfs/dbraw/zinc/39/48/17/176394817.db2.gz NATSZFVMWUSTQR-KWCYVHTRSA-N 1 0 264.344 1.465 40 0 CDABRO CCN(C(=O)C[NH3+])[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242750307 261267089 /nfs/dbraw/zinc/26/70/89/261267089.db2.gz ZLAJKWRSAPSCLK-HAQNSBGRSA-N 1 0 299.415 1.630 40 0 CDABRO C[NH+](C)CC[C@H]1CN(C(=O)C2=CCCC2)Cc2ccnn21 ZINC000306134980 273797243 /nfs/dbraw/zinc/79/72/43/273797243.db2.gz ODTKARSDRBXNSP-HNNXBMFYSA-N 1 0 288.395 1.828 40 0 CDABRO O=C1c2cccn2[C@@H]2C[NH2+]C[C@H]2N1Cc1ccccn1 ZINC000306135343 275031387 /nfs/dbraw/zinc/03/13/87/275031387.db2.gz ONZVJIYBGKVGHK-ZIAGYGMSSA-N 1 0 268.320 1.052 40 0 CDABRO CCC[N@@H+]1C[C@@H]2[C@@H](C1)N(CC1CC1)C(=O)c1cccn12 ZINC000306141445 276263950 /nfs/dbraw/zinc/26/39/50/276263950.db2.gz VWKUIKSVVUPRLY-HUUCEWRRSA-N 1 0 273.380 1.989 40 0 CDABRO CCOC(=O)[C@@H]1C[N@H+](C)C[C@]12CCc1ccccc1C2=O ZINC000019530643 276288707 /nfs/dbraw/zinc/28/87/07/276288707.db2.gz UCQMGPBIXUFQID-WMLDXEAASA-N 1 0 287.359 1.927 40 0 CDABRO O[C@@]12c3ccccc3[C@@H]1CCC[C@H]2[NH+]1CCOCC1 ZINC000104299958 280438542 /nfs/dbraw/zinc/43/85/42/280438542.db2.gz DRXFQSHRXGDRHM-XHSDSOJGSA-N 1 0 259.349 1.856 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391323 289762700 /nfs/dbraw/zinc/76/27/00/289762700.db2.gz ZDGXSFIRLVNPKM-CMPLNLGQSA-N 1 0 297.399 1.334 40 0 CDABRO CC(C)N1CC[N@H+](CCc2ccccc2)C[C@H]1C(N)=O ZINC000247974627 334292585 /nfs/dbraw/zinc/29/25/85/334292585.db2.gz FITFINWTRXQKFB-HNNXBMFYSA-N 1 0 275.396 1.109 40 0 CDABRO O=C(NCC[C@H]1CCCCO1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000224089370 526387955 /nfs/dbraw/zinc/38/79/55/526387955.db2.gz GVBKJKQZNPWVHB-CVEARBPZSA-N 1 0 288.391 1.776 40 0 CDABRO Cc1nnc2c(N[C@H](C[NH3+])C3CCCCC3)nccn12 ZINC000155836071 526409439 /nfs/dbraw/zinc/40/94/39/526409439.db2.gz RVLZXDAFQPGLEK-GFCCVEGCSA-N 1 0 274.372 1.752 40 0 CDABRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2cccnn2)C1 ZINC000930346993 933364174 /nfs/dbraw/zinc/36/41/74/933364174.db2.gz LSBMFSWSQCUTIT-ZDUSSCGKSA-N 1 0 289.383 1.672 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccc(F)cc1Cl ZINC001548448037 969398455 /nfs/dbraw/zinc/39/84/55/969398455.db2.gz HXNQPSZVAGNVMR-VXGBXAGGSA-N 1 0 286.734 1.125 40 0 CDABRO Cc1ccc(C[NH+]2CCC3(CC2)COCCN3C)o1 ZINC000096048902 185073496 /nfs/dbraw/zinc/07/34/96/185073496.db2.gz BSIKKODQWMQTPH-UHFFFAOYSA-N 1 0 264.369 1.885 40 0 CDABRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096055563 185076278 /nfs/dbraw/zinc/07/62/78/185076278.db2.gz BWFNQOJSTJUVJJ-UPJWGTAASA-N 1 0 280.393 1.568 40 0 CDABRO Cn1ccc(C(=O)N2CC[C@]3(CC[N@@H+]3CC3CC3)C2)n1 ZINC000096075993 185089472 /nfs/dbraw/zinc/08/94/72/185089472.db2.gz JPDXZLZSIYCSJI-HNNXBMFYSA-N 1 0 274.368 1.121 40 0 CDABRO O=S1(=O)CC[C@H](CC[N@H+]2CCCC(F)(F)CC2)C1 ZINC000625769149 342197774 /nfs/dbraw/zinc/19/77/74/342197774.db2.gz CAXXKVKWXBWJKX-NSHDSACASA-N 1 0 281.368 1.932 40 0 CDABRO CC(C)CC(=O)N1CC2(C1)CC[C@@H](C[NH+](C)C)CO2 ZINC000585093671 342211226 /nfs/dbraw/zinc/21/12/26/342211226.db2.gz AFXKVINPEHGINJ-ZDUSSCGKSA-N 1 0 268.401 1.602 40 0 CDABRO COCc1nnc2n1CC[N@@H+](Cc1ccc(C)o1)[C@H](C)C2 ZINC000585097702 342211631 /nfs/dbraw/zinc/21/16/31/342211631.db2.gz MWMCIZTTZVEKJK-LLVKDONJSA-N 1 0 290.367 1.773 40 0 CDABRO c1cc2n(n1)CC[C@H](COc1cnccn1)[N@@H+](C1CCC1)C2 ZINC000585096679 342211864 /nfs/dbraw/zinc/21/18/64/342211864.db2.gz AATPPXUGCXZPKJ-OAHLLOKOSA-N 1 0 299.378 1.879 40 0 CDABRO Cc1ccccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC000585104383 342212928 /nfs/dbraw/zinc/21/29/28/342212928.db2.gz LNPXPFJIIOKYOC-QGZVFWFLSA-N 1 0 288.391 1.676 40 0 CDABRO CONC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157421355 342221424 /nfs/dbraw/zinc/22/14/24/342221424.db2.gz UURWMCKUXPWKNP-OAHLLOKOSA-N 1 0 277.368 1.902 40 0 CDABRO CCCCc1ccc(C[N@H+]2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2C)cc1 ZINC000585295110 342260691 /nfs/dbraw/zinc/26/06/91/342260691.db2.gz MAWHZKVJFGHNDO-NKKGCODLSA-N 1 0 293.407 1.316 40 0 CDABRO CCn1cc(C[N@@H+]2CCC[C@@]2(COC)CC(=O)NC)cn1 ZINC000585279533 342256958 /nfs/dbraw/zinc/25/69/58/342256958.db2.gz ZWSGMIXHWPRIFW-HNNXBMFYSA-N 1 0 294.399 1.020 40 0 CDABRO C[C@@H](CO)N(Cc1nsc(N(C)C)n1)C1CCCC1 ZINC000329931814 362095592 /nfs/dbraw/zinc/09/55/92/362095592.db2.gz IKNUVJKXLXHFGU-JTQLQIEISA-N 1 0 284.429 1.730 40 0 CDABRO CCOc1ccccc1OCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000079065152 362157675 /nfs/dbraw/zinc/15/76/75/362157675.db2.gz UGQXXJQKZNJKFQ-ZDUSSCGKSA-N 1 0 292.379 1.675 40 0 CDABRO O=C(NC1CCCC1)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257262463 136594779 /nfs/dbraw/zinc/59/47/79/136594779.db2.gz LLLWZMGVJFWRJH-OAHLLOKOSA-N 1 0 291.370 1.663 40 0 CDABRO OC[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000105639446 349377729 /nfs/dbraw/zinc/37/77/29/349377729.db2.gz ZSRDUHBUWUQNBM-MWLCHTKSSA-N 1 0 256.143 1.744 40 0 CDABRO COc1ccc(S(=O)(=O)N2CC([NH2+]CC3CC3)C2)cc1 ZINC000154597126 188152677 /nfs/dbraw/zinc/15/26/77/188152677.db2.gz HRIZBTYWSRXCKX-UHFFFAOYSA-N 1 0 296.392 1.068 40 0 CDABRO COc1cc(CNC2=[NH+]CCC2)cc(OC)c1OC ZINC000001636922 355943140 /nfs/dbraw/zinc/94/31/40/355943140.db2.gz GMHBFSQLKVWDTB-UHFFFAOYSA-N 1 0 264.325 1.994 40 0 CDABRO CCCC[NH+](CCCC)CCOc1c[nH]c(=O)[nH]c1=O ZINC000001670179 355945803 /nfs/dbraw/zinc/94/58/03/355945803.db2.gz MHWTYIWXHPYQSL-UHFFFAOYSA-N 1 0 283.372 1.344 40 0 CDABRO COc1cc(OC2CC[NH2+]CC2)cc(OC)c1OC ZINC000038778323 356266336 /nfs/dbraw/zinc/26/63/36/356266336.db2.gz HJDJUQDIBDEMGP-UHFFFAOYSA-N 1 0 267.325 1.843 40 0 CDABRO COc1ccc(OC)c(CN2CCC([NH3+])CC2)c1 ZINC000015423795 356415876 /nfs/dbraw/zinc/41/58/76/356415876.db2.gz PCQMRZNASNSDHK-UHFFFAOYSA-N 1 0 250.342 1.627 40 0 CDABRO Cc1nn(CC(=O)NCC[N@H+]2CCCC[C@H]2C)c(C)c1C ZINC000019556632 356491343 /nfs/dbraw/zinc/49/13/43/356491343.db2.gz CAOJHVDZUKBXBZ-GFCCVEGCSA-N 1 0 292.427 1.799 40 0 CDABRO Fc1cccc(Br)c1CN1CC[NH2+]CC1 ZINC000022918368 356623893 /nfs/dbraw/zinc/62/38/93/356623893.db2.gz ANUJGRCGZLUNEH-UHFFFAOYSA-N 1 0 273.149 1.993 40 0 CDABRO CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)C[NH3+] ZINC000079390854 356988196 /nfs/dbraw/zinc/98/81/96/356988196.db2.gz ANOXUUNEAADVOD-NSHDSACASA-N 1 0 285.388 1.051 40 0 CDABRO CCN(C(=O)C[NH3+])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079390875 356988686 /nfs/dbraw/zinc/98/86/86/356988686.db2.gz ZLAJKWRSAPSCLK-UHFFFAOYSA-N 1 0 299.415 1.630 40 0 CDABRO C[N@H+](Cc1ccccc1)C1CCN(C(=O)C[NH3+])CC1 ZINC000079415188 356993125 /nfs/dbraw/zinc/99/31/25/356993125.db2.gz YPGYCYVHDNITFH-UHFFFAOYSA-N 1 0 261.369 1.068 40 0 CDABRO COc1cccc(CN(C(=O)[C@H](C)[NH3+])C(C)C)c1 ZINC000079420930 356996763 /nfs/dbraw/zinc/99/67/63/356996763.db2.gz CVSFHDFRXPKIRO-NSHDSACASA-N 1 0 250.342 1.779 40 0 CDABRO C[NH+](C)CCCNC(=O)c1ccc(OC(F)F)cc1 ZINC000047652884 357162163 /nfs/dbraw/zinc/16/21/63/357162163.db2.gz IVSXZRWHFUSMOW-UHFFFAOYSA-N 1 0 272.295 1.970 40 0 CDABRO C[C@H](CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000072397653 357832951 /nfs/dbraw/zinc/83/29/51/357832951.db2.gz XNDXTISCGFIKDH-TXCZRRACSA-N 1 0 274.408 1.929 40 0 CDABRO CCOC(=O)C1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000073153775 357868689 /nfs/dbraw/zinc/86/86/89/357868689.db2.gz ARJZLFXHTGUVEC-ZDUSSCGKSA-N 1 0 282.384 1.130 40 0 CDABRO COc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000027932414 357945992 /nfs/dbraw/zinc/94/59/92/357945992.db2.gz QVEXLZPLUKRTBR-CYBMUJFWSA-N 1 0 290.363 1.624 40 0 CDABRO C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1cccnc1)CC2 ZINC000096157669 358710100 /nfs/dbraw/zinc/71/01/00/358710100.db2.gz YZHCVCHDIZGUII-UHFFFAOYSA-N 1 0 273.380 1.568 40 0 CDABRO CCC[N@@H+]1CCCn2nnc(CNc3cccnc3)c2C1 ZINC000096259504 358728392 /nfs/dbraw/zinc/72/83/92/358728392.db2.gz OVBBECZXXXAUCQ-UHFFFAOYSA-N 1 0 286.383 1.901 40 0 CDABRO C[N@@H+]1CCC[C@]2(CN(C(=O)c3ccncc3)CCO2)C1 ZINC000096268586 358730818 /nfs/dbraw/zinc/73/08/18/358730818.db2.gz IAMGLIMEOVXARE-OAHLLOKOSA-N 1 0 275.352 1.018 40 0 CDABRO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@H](c2ccccn2)N1 ZINC000022238410 359048321 /nfs/dbraw/zinc/04/83/21/359048321.db2.gz JNWSIIDYUSTNHV-GFCCVEGCSA-N 1 0 292.302 1.079 40 0 CDABRO Cc1cc(C)cc(OCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000028227086 359327784 /nfs/dbraw/zinc/32/77/84/359327784.db2.gz LMXPPPBKNMJCBB-OAHLLOKOSA-N 1 0 288.391 1.989 40 0 CDABRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000050241808 359402374 /nfs/dbraw/zinc/40/23/74/359402374.db2.gz CNWOZXFDCRMNDH-ZCFIWIBFSA-N 1 0 266.775 1.123 40 0 CDABRO CS(=O)(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224608843 189742358 /nfs/dbraw/zinc/74/23/58/189742358.db2.gz DBYHQXDZTOZOGK-UHFFFAOYSA-N 1 0 268.382 1.332 40 0 CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000026439553 296122301 /nfs/dbraw/zinc/12/23/01/296122301.db2.gz MNFVVDCATODWRQ-CHWSQXEVSA-N 1 0 255.406 1.317 40 0 CDABRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1cccc(-n2cccn2)c1 ZINC000080723882 374982795 /nfs/dbraw/zinc/98/27/95/374982795.db2.gz RENGXXZJUCAFPF-DOMZBBRYSA-N 1 0 284.363 1.802 40 0 CDABRO CC(C)NC(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000225648737 375177632 /nfs/dbraw/zinc/17/76/32/375177632.db2.gz JWYHMZJDJMWLNL-MRXNPFEDSA-N 1 0 276.380 1.325 40 0 CDABRO NCC(F)(F)CNC(=O)[C@H]1CCCc2ccccc21 ZINC000162583950 375387413 /nfs/dbraw/zinc/38/74/13/375387413.db2.gz FRZUVKUKVUHNSZ-LBPRGKRZSA-N 1 0 268.307 1.817 40 0 CDABRO Cc1nc2ccc(NC(=O)C3C[NH2+]C3)cc2nc1C ZINC000257207601 190011488 /nfs/dbraw/zinc/01/14/88/190011488.db2.gz BILILDBDGMKESC-UHFFFAOYSA-N 1 0 256.309 1.405 40 0 CDABRO CCC(=O)N1CCC[C@@H](c2nnc([C@@H]3CCC[NH2+]C3)o2)C1 ZINC000257228442 190015822 /nfs/dbraw/zinc/01/58/22/190015822.db2.gz FTVYUPYYVVVKCK-VXGBXAGGSA-N 1 0 292.383 1.653 40 0 CDABRO Cn1nccc1-c1cncc(CC2CC[NH2+]CC2)n1 ZINC000257233713 190017021 /nfs/dbraw/zinc/01/70/21/190017021.db2.gz GQJJHWPXPIFOIA-UHFFFAOYSA-N 1 0 257.341 1.419 40 0 CDABRO O=C(C[N@@H+]1CC[C@@H](c2cc[nH]n2)C1)N1CCCCC1 ZINC000257241690 190018235 /nfs/dbraw/zinc/01/82/35/190018235.db2.gz HZDULNDSBHJQJT-GFCCVEGCSA-N 1 0 262.357 1.212 40 0 CDABRO Cc1nc(C(=O)NCC2CC2)cc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257246087 190019439 /nfs/dbraw/zinc/01/94/39/190019439.db2.gz ISKUTDXWYTYUBK-CYBMUJFWSA-N 1 0 288.395 1.734 40 0 CDABRO Cn1nccc1-c1cnc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257266907 190023071 /nfs/dbraw/zinc/02/30/71/190023071.db2.gz MFCOOGLWHQSCOR-NSHDSACASA-N 1 0 257.341 1.419 40 0 CDABRO CCCn1ccc(C(=O)N2CC[C@H]3[NH2+]CCCC[C@H]3C2)n1 ZINC000257255015 190021085 /nfs/dbraw/zinc/02/10/85/190021085.db2.gz KFTCPATYXZORCL-UONOGXRCSA-N 1 0 290.411 1.897 40 0 CDABRO C[N@@H+]1CCCN(C(=O)c2cncc(-c3cncnc3)c2)CC1 ZINC000257280558 190025754 /nfs/dbraw/zinc/02/57/54/190025754.db2.gz OLJHTVBVVUCWIW-UHFFFAOYSA-N 1 0 297.362 1.316 40 0 CDABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000257288286 190027176 /nfs/dbraw/zinc/02/71/76/190027176.db2.gz PTPJVTAWHTZZPS-LBPRGKRZSA-N 1 0 257.341 1.806 40 0 CDABRO C[N@@H+]1CCN(Cc2ncc[nH]2)C[C@H]1c1ccccc1 ZINC000257299165 190029620 /nfs/dbraw/zinc/02/96/20/190029620.db2.gz ROZDFTDOJQTONL-AWEZNQCLSA-N 1 0 256.353 1.898 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)/C=C/c2ccccc2F)C1 ZINC000257302797 190030589 /nfs/dbraw/zinc/03/05/89/190030589.db2.gz SELRVEDNSBAAST-WAVCKPEOSA-N 1 0 292.354 1.364 40 0 CDABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 ZINC000008300449 376532939 /nfs/dbraw/zinc/53/29/39/376532939.db2.gz JXBKKSBXADXFDO-MELADBBJSA-N 1 0 281.400 1.149 40 0 biogenic,in-vitro CDABRO CC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069472744 378118415 /nfs/dbraw/zinc/11/84/15/378118415.db2.gz TXNAZQHOLLNFJL-UONOGXRCSA-N 1 0 297.443 1.854 40 0 CDABRO C[NH+](C)[C@@H]1CN(Cc2cccs2)[C@@H]2COC[C@@H]21 ZINC000096185117 256814635 /nfs/dbraw/zinc/81/46/35/256814635.db2.gz GQFALBHEWVQYJK-JHJVBQTASA-N 1 0 252.383 1.509 40 0 CDABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(C)CC2)CC(C)(C)C1 ZINC000022588908 390239177 /nfs/dbraw/zinc/23/91/77/390239177.db2.gz YVAWMZJIRZQCSS-ARFHVFGLSA-N 1 0 298.471 1.826 40 0 CDABRO CC(C)(C)c1c[nH]c([C@@H]2COCCN2C2CC[NH2+]CC2)n1 ZINC000072322155 390476382 /nfs/dbraw/zinc/47/63/82/390476382.db2.gz MGEOLEQNJXJEQH-ZDUSSCGKSA-N 1 0 292.427 1.833 40 0 biogenic,in-vitro CDABRO CC(=O)N1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216576 390622220 /nfs/dbraw/zinc/62/22/20/390622220.db2.gz VPSFRVRODMLIOX-HNNXBMFYSA-N 1 0 288.395 1.517 40 0 CDABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCC[N@H+]1C ZINC000072219611 390623306 /nfs/dbraw/zinc/62/33/06/390623306.db2.gz RRSZUXVQZFJHMW-CQSZACIVSA-N 1 0 261.369 1.993 40 0 CDABRO CC[C@H](O)c1cnc(N2CC[NH+](CC)CC2)cc1C ZINC000072223629 390624176 /nfs/dbraw/zinc/62/41/76/390624176.db2.gz KSRKBMIIHMLFOO-AWEZNQCLSA-N 1 0 263.385 1.975 40 0 CDABRO COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)nc1 ZINC000072225606 390625934 /nfs/dbraw/zinc/62/59/34/390625934.db2.gz OQHPYCNAGNZPGB-UHFFFAOYSA-N 1 0 263.341 1.399 40 0 CDABRO COC[C@@H](O)C[N@@H+]1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000096421808 391189666 /nfs/dbraw/zinc/18/96/66/391189666.db2.gz CEZFHQKVRBAQLO-DRZSPHRISA-N 1 0 255.383 1.933 40 0 CDABRO C[C@@H]1CC[NH2+]C[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000217680206 130762986 /nfs/dbraw/zinc/76/29/86/130762986.db2.gz UOSNPYUZLQLHQU-IUODEOHRSA-N 1 0 258.365 1.817 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@H]1[NH3+] ZINC000242498713 393195436 /nfs/dbraw/zinc/19/54/36/393195436.db2.gz HPROAGMMWQGCJM-VWYCJHECSA-N 1 0 259.758 1.568 40 0 CDABRO [NH3+][C@@H](Cc1ccccc1)C(=S)N1CCSC1 ZINC000038869858 397829982 /nfs/dbraw/zinc/82/99/82/397829982.db2.gz LIAJGKFJYNWAKC-NSHDSACASA-N 1 0 252.408 1.890 40 0 CDABRO Cc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)CO ZINC000002710240 169821640 /nfs/dbraw/zinc/82/16/40/169821640.db2.gz KWNJQMMSCWHHFD-GFCCVEGCSA-N 1 0 253.342 1.095 40 0 CDABRO CC[C@H](C)[NH2+]Cc1ccc(OCCO)c(OC)c1 ZINC000013730851 170583350 /nfs/dbraw/zinc/58/33/50/170583350.db2.gz CBMNMPOXNNIVHP-NSHDSACASA-N 1 0 253.342 1.954 40 0 CDABRO COc1cc(OC)c(CN2CC[NH2+]CC2)c(OC)c1 ZINC000038086750 174097501 /nfs/dbraw/zinc/09/75/01/174097501.db2.gz OBRWIIFFRKWIOH-UHFFFAOYSA-N 1 0 266.341 1.118 40 0 in-vitro CDABRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C)cc(OC)c1OC ZINC000039003448 174161392 /nfs/dbraw/zinc/16/13/92/174161392.db2.gz KQVYUQQQBZKQKI-SNVBAGLBSA-N 1 0 294.351 1.146 40 0 CDABRO C[NH+](C)CCCOc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 ZINC000044216363 175154273 /nfs/dbraw/zinc/15/42/73/175154273.db2.gz ISTSPHMOKJXAJM-CYBMUJFWSA-N 1 0 266.341 1.492 40 0 CDABRO O=C1c2ccccc2C(=O)N1CCC[n+]1ccccc1 ZINC000068606337 175812425 /nfs/dbraw/zinc/81/24/25/175812425.db2.gz AGJPKSWZKRSNNG-UHFFFAOYSA-N 1 0 267.308 1.660 40 0 CDABRO COC[C@@H]1CN(C(=O)Cc2ccccc2)CC[N@H+](C)C1 ZINC000072343696 176372240 /nfs/dbraw/zinc/37/22/40/176372240.db2.gz NHAOVMQJKVIVBN-HNNXBMFYSA-N 1 0 276.380 1.266 40 0 CDABRO OCC[N@@H+]1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360935 176376848 /nfs/dbraw/zinc/37/68/48/176376848.db2.gz ZEZYWSFBYKUCPO-ZDUSSCGKSA-N 1 0 299.378 1.787 40 0 CDABRO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000072367995 176382376 /nfs/dbraw/zinc/38/23/76/176382376.db2.gz OLFSAZVBMYOZHI-CYBMUJFWSA-N 1 0 264.373 1.158 40 0 CDABRO Cn1ccnc1[C@]1(O)CCC[N@H+](Cc2ccncc2)CC1 ZINC000072369579 176384078 /nfs/dbraw/zinc/38/40/78/176384078.db2.gz RMIDSUKFMJRSGB-INIZCTEOSA-N 1 0 286.379 1.689 40 0 CDABRO CNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000072388616 176393553 /nfs/dbraw/zinc/39/35/53/176393553.db2.gz HEILBNZGUZIRQU-CQSZACIVSA-N 1 0 299.378 1.544 40 0 CDABRO Cc1cccc(C[NH2+]C[C@H]2Cn3ccnc3CO2)n1 ZINC000096296277 265357063 /nfs/dbraw/zinc/35/70/63/265357063.db2.gz XLCNFJUACFELOM-ZDUSSCGKSA-N 1 0 258.325 1.275 40 0 biogenic,in-vitro CDABRO C[NH2+]C[C@@]1(O)CCN(c2cc(C)nc3ccncc32)C1 ZINC000257228145 273965571 /nfs/dbraw/zinc/96/55/71/273965571.db2.gz FSNPEFRFNFAHLA-HNNXBMFYSA-N 1 0 272.352 1.099 40 0 CDABRO COc1cc(OC)c2nc(C)cc(N3CC[NH2+]CC3)c2c1 ZINC000032500244 274098014 /nfs/dbraw/zinc/09/80/14/274098014.db2.gz XMTPUMACPHEISY-UHFFFAOYSA-N 1 0 287.363 1.970 40 0 CDABRO [NH3+]C1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 ZINC000096516961 274943882 /nfs/dbraw/zinc/94/38/82/274943882.db2.gz JEFWSFUIQWBGAH-UHFFFAOYSA-N 1 0 258.369 1.770 40 0 CDABRO CO[C@H]1C[N@@H+](C2CCN(C)CC2)CC[C@@]12CCCO2 ZINC000257316262 277343864 /nfs/dbraw/zinc/34/38/64/277343864.db2.gz VEVSPAJAFPLURR-GJZGRUSLSA-N 1 0 268.401 1.351 40 0 CDABRO CC(C)CCN1[C@@]2(CC[NH2+]C2)c2ccccc2S1(=O)=O ZINC000107489117 277354861 /nfs/dbraw/zinc/35/48/61/277354861.db2.gz RGTPKAAZLWEQOU-OAHLLOKOSA-N 1 0 294.420 1.926 40 0 CDABRO CC(C)(C)OC(=O)N1CCC2(C[NH2+]C[C@H]2CO)CC1 ZINC000091303579 278384396 /nfs/dbraw/zinc/38/43/96/278384396.db2.gz UHJRPLXGZDOQMY-NSHDSACASA-N 1 0 270.373 1.215 40 0 CDABRO CCCC[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000062717749 520692958 /nfs/dbraw/zinc/69/29/58/520692958.db2.gz SFXFTCHVWYWYLE-UHFFFAOYSA-N 1 0 250.346 1.203 40 0 CDABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccccc1Br ZINC000062713666 527241567 /nfs/dbraw/zinc/24/15/67/527241567.db2.gz PXPSEJWVEOZNCR-ONGXEEELSA-N 1 0 256.143 1.874 40 0 CDABRO COc1ccccc1-c1ncc(C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000430018066 536971992 /nfs/dbraw/zinc/97/19/92/536971992.db2.gz BJAFEMSDXTVWLU-ZDUSSCGKSA-N 1 0 285.347 1.719 40 0 CDABRO OCc1cn(C[C@H](O)C[NH+]2CCCCC2)c2ccccc12 ZINC000004934587 1163555405 /nfs/dbraw/zinc/55/54/05/1163555405.db2.gz BXPMOEHEMVFVLF-OAHLLOKOSA-N 1 0 288.391 1.980 40 0 CDABRO CCN1OC2(CC1=O)CC[NH+](Cc1ccc(C)nc1)CC2 ZINC001549167075 968052748 /nfs/dbraw/zinc/05/27/48/968052748.db2.gz LNOUTALUWWVGCW-UHFFFAOYSA-N 1 0 289.379 1.908 40 0 CDABRO CC[NH+](CC)C[C@@H]1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)OC1 ZINC000575402629 342451802 /nfs/dbraw/zinc/45/18/02/342451802.db2.gz DEWHHTIDIJNWCG-SOUVJXGZSA-N 1 0 294.439 1.992 40 0 CDABRO CCOc1cc(-c2nnc([C@H](C)[NH3+])[nH]2)ccc1OC ZINC000095534687 185006637 /nfs/dbraw/zinc/00/66/37/185006637.db2.gz WUQFQVZVXSOQKV-QMMMGPOBSA-N 1 0 262.313 1.899 40 0 CDABRO c1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)nc1 ZINC000096048403 185073240 /nfs/dbraw/zinc/07/32/40/185073240.db2.gz DGERXOLUBVBWDX-HOCLYGCPSA-N 1 0 288.395 1.922 40 0 CDABRO c1cncc(CO[C@@H]2C[C@H]3C[N@H+](CC4CC4)CCN3C2)c1 ZINC000096055049 185075595 /nfs/dbraw/zinc/07/55/95/185075595.db2.gz YRLXUVSHVKUPFH-DLBZAZTESA-N 1 0 287.407 1.767 40 0 CDABRO O[C@H]1CC[N@H+](Cc2cccnc2)[C@H]1Cc1ccncc1 ZINC000096061652 185082878 /nfs/dbraw/zinc/08/28/78/185082878.db2.gz LKYGNOPGGRWKRL-HOTGVXAUSA-N 1 0 269.348 1.655 40 0 CDABRO Cn1cc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)cn1 ZINC000096070824 185086930 /nfs/dbraw/zinc/08/69/30/185086930.db2.gz UJAMHDPVPXTRGK-UHFFFAOYSA-N 1 0 297.406 1.523 40 0 CDABRO CC[N@@H+]1CC[C@H]2C[C@H](C(=O)NCC3CCOCC3)O[C@@H]2C1 ZINC000096066100 185084729 /nfs/dbraw/zinc/08/47/29/185084729.db2.gz SVZMIOXENYKSNV-RRFJBIMHSA-N 1 0 296.411 1.029 40 0 CDABRO COc1ncccc1C[N@@H+]1CCc2ncnc(C)c2CC1 ZINC000096083919 185091959 /nfs/dbraw/zinc/09/19/59/185091959.db2.gz HFYYQTRHBCNQMZ-UHFFFAOYSA-N 1 0 284.363 1.789 40 0 CDABRO C[N@@H+]1C[C@H]2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)[C@@H](C1)O2 ZINC000096100687 185098304 /nfs/dbraw/zinc/09/83/04/185098304.db2.gz SWAMBCKXIYUQGG-UHIISALHSA-N 1 0 290.319 1.073 40 0 CDABRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096108623 185099462 /nfs/dbraw/zinc/09/94/62/185099462.db2.gz ZVDVQERGMIZXGZ-CZUORRHYSA-N 1 0 291.347 1.510 40 0 CDABRO CNc1ncc(CNCc2nc3ccccc3[nH]2)cn1 ZINC000062718411 342163198 /nfs/dbraw/zinc/16/31/98/342163198.db2.gz MLDSMDKGAFYVKI-UHFFFAOYSA-N 1 0 268.324 1.684 40 0 CDABRO COCC[N@@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099629 342212195 /nfs/dbraw/zinc/21/21/95/342212195.db2.gz SYWURVDQSPYVEB-AWEZNQCLSA-N 1 0 295.408 1.214 40 0 CDABRO COc1ccc(F)c(C[N@H+]2C[C@H](OC)[C@@H](CC(N)=O)C2)c1 ZINC000585277240 342256373 /nfs/dbraw/zinc/25/63/73/342256373.db2.gz HFAGMCGBPBTMKT-FZMZJTMJSA-N 1 0 296.342 1.157 40 0 CDABRO O[C@]1(COc2cccc(F)c2)COCC[N@@H+](C2CCC2)C1 ZINC000585284278 342258670 /nfs/dbraw/zinc/25/86/70/342258670.db2.gz WNZHHISZDTVASZ-INIZCTEOSA-N 1 0 295.354 1.820 40 0 CDABRO CCOC(=O)[C@@H]1CC[C@@H]([NH3+])[C@H](NC(=O)OC(C)(C)C)C1 ZINC000143064754 348743656 /nfs/dbraw/zinc/74/36/56/348743656.db2.gz STWAQGKVYHZJCJ-GMTAPVOTSA-N 1 0 286.372 1.570 40 0 CDABRO CCOCCn1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093938 366091610 /nfs/dbraw/zinc/09/16/10/366091610.db2.gz ZPTGHNBSQWVFBG-UHFFFAOYSA-N 1 0 252.343 1.502 40 0 CDABRO COCCc1ccc(OC[C@@H](O)C(C)(C)[NH3+])cc1 ZINC000002019987 355958089 /nfs/dbraw/zinc/95/80/89/355958089.db2.gz LAWLHMWODZUZJH-CYBMUJFWSA-N 1 0 253.342 1.353 40 0 in-man CDABRO O=C1COc2ncc(Cl)cc2N1CC[NH+]1CCCCC1 ZINC000005749204 356060528 /nfs/dbraw/zinc/06/05/28/356060528.db2.gz GLYUTNAGTLPCCL-UHFFFAOYSA-N 1 0 295.770 1.946 40 0 CDABRO COc1ccc([C@@H](C)[NH2+]CC(OC)OC)cc1O ZINC000003847255 356010749 /nfs/dbraw/zinc/01/07/49/356010749.db2.gz HBZSDJIHYFXWII-SECBINFHSA-N 1 0 255.314 1.670 40 0 CDABRO [NH3+]C1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000043220481 356095559 /nfs/dbraw/zinc/09/55/59/356095559.db2.gz NXFAZCRUVYAXKV-CYBMUJFWSA-N 1 0 254.761 1.797 40 0 CDABRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC000019527292 356490354 /nfs/dbraw/zinc/49/03/54/356490354.db2.gz QGTJQCGDUVDFDI-GFCCVEGCSA-N 1 0 264.373 1.333 40 0 CDABRO CC[n+]1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1 ZINC000027232689 356704706 /nfs/dbraw/zinc/70/47/06/356704706.db2.gz ZRWYIJOTPAQMKE-UHFFFAOYSA-O 1 0 281.339 1.800 40 0 CDABRO CCC[N@H+]1CC=C(c2nn3c(C)nnc3s2)CC1 ZINC000073636300 356937554 /nfs/dbraw/zinc/93/75/54/356937554.db2.gz AFRXMFJCHOUHNJ-UHFFFAOYSA-N 1 0 263.370 1.993 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391377 356988419 /nfs/dbraw/zinc/98/84/19/356988419.db2.gz PKWVRVJWVRKMRD-RYUDHWBXSA-N 1 0 299.415 1.485 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079410052 356992060 /nfs/dbraw/zinc/99/20/60/356992060.db2.gz YCWRBRHMLYYZRA-NEPJUHHUSA-N 1 0 299.415 1.438 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1cccs1)C1CC1 ZINC000079436344 356996166 /nfs/dbraw/zinc/99/61/66/356996166.db2.gz RQJSGVSUKWTLQL-ZDUSSCGKSA-N 1 0 280.393 1.905 40 0 CDABRO CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000002694388 169820638 /nfs/dbraw/zinc/82/06/38/169820638.db2.gz MPRBWVAUDNNFCX-KBPBESRZSA-N 1 0 281.396 1.910 40 0 CDABRO Cc1cc(S(=O)(=O)NC2CC[NH+](C)CC2)ccc1F ZINC000074861067 357929119 /nfs/dbraw/zinc/92/91/19/357929119.db2.gz ZXHUWUSQGVWDIA-UHFFFAOYSA-N 1 0 286.372 1.507 40 0 CDABRO Cc1ccc2cc(C[NH2+]CCN(C)C)c(=O)[nH]c2c1 ZINC000019823980 358147049 /nfs/dbraw/zinc/14/70/49/358147049.db2.gz UADJWJFQOZPGMJ-UHFFFAOYSA-N 1 0 259.353 1.488 40 0 CDABRO O=C([C@@H]1COC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N1CCCCO1 ZINC000096038642 358706407 /nfs/dbraw/zinc/70/64/07/358706407.db2.gz PJOSOVLSMOHMMN-RBSFLKMASA-N 1 0 294.395 1.145 40 0 CDABRO Fc1cnc(N2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)nc1 ZINC000096161483 358711007 /nfs/dbraw/zinc/71/10/07/358711007.db2.gz WTFFIZZWGRHAML-OKILXGFUSA-N 1 0 299.353 1.579 40 0 CDABRO CCOC[C@@H]1COCCC12CCN(C(=O)C[NH+](C)C)CC2 ZINC000096209148 358720053 /nfs/dbraw/zinc/72/00/53/358720053.db2.gz XPZFQIKKJHUMRV-CQSZACIVSA-N 1 0 298.427 1.230 40 0 CDABRO CN(C)C(=O)C[C@@H]1C[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096206744 358720515 /nfs/dbraw/zinc/72/05/15/358720515.db2.gz NNDWKAJWDHAZII-MELADBBJSA-N 1 0 294.420 1.816 40 0 CDABRO CCOC[C@@H]1Cn2cncc2C[N@H+](CC2CCOCC2)C1 ZINC000096208216 358720579 /nfs/dbraw/zinc/72/05/79/358720579.db2.gz CGIZLXXSJIZWNR-HNNXBMFYSA-N 1 0 293.411 1.778 40 0 CDABRO CC(C)[N@@H+]1C[C@@H]2C[C@H](CC(=O)N3CCC3)O[C@@H]2C1 ZINC000096215810 358721335 /nfs/dbraw/zinc/72/13/35/358721335.db2.gz YUOMTYHFRFGANY-YNEHKIRRSA-N 1 0 252.358 1.107 40 0 CDABRO Cc1occc1C(=O)N1CC[C@]2(C1)C[C@H]([NH+](C)C)CCO2 ZINC000096215051 358721488 /nfs/dbraw/zinc/72/14/88/358721488.db2.gz VQCGNINWKYYSAC-CZUORRHYSA-N 1 0 292.379 1.913 40 0 CDABRO O=C1CCC2(CC[NH+](CCO)CC2)N1Cc1cccnc1 ZINC000096228316 358723585 /nfs/dbraw/zinc/72/35/85/358723585.db2.gz ONTULCIKZMMXKO-UHFFFAOYSA-N 1 0 289.379 1.031 40 0 CDABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](CCO)C[C@@H]12 ZINC000096251883 358727646 /nfs/dbraw/zinc/72/76/46/358727646.db2.gz XMCNVKJEWLXUPV-SJORKVTESA-N 1 0 288.391 1.243 40 0 CDABRO O=C(c1ccccc1)N1C[C@H]2C[NH2+]C[C@@H](C1)C2(F)F ZINC000096261720 358729616 /nfs/dbraw/zinc/72/96/16/358729616.db2.gz JHZNLFUMHQEWPY-TXEJJXNPSA-N 1 0 266.291 1.613 40 0 CDABRO NC(=O)c1nc2c(s1)CC[N@H+](Cc1ccccc1)CC2 ZINC000096146995 283394637 /nfs/dbraw/zinc/39/46/37/283394637.db2.gz GBVIDBXFULRYKG-UHFFFAOYSA-N 1 0 287.388 1.843 40 0 CDABRO Cc1cccc(N2CC[C@@H](C[NH3+])S2(=O)=O)c1C ZINC000222540267 359353088 /nfs/dbraw/zinc/35/30/88/359353088.db2.gz FFBHQZSTGSPQKZ-NSHDSACASA-N 1 0 254.355 1.171 40 0 CDABRO CC1(C)C[NH2+]CCN1C(=O)Cn1ccc(C(F)F)n1 ZINC000637856604 366549580 /nfs/dbraw/zinc/54/95/80/366549580.db2.gz FRGLDNLJAJLKTB-UHFFFAOYSA-N 1 0 272.299 1.031 40 0 CDABRO CCOC(C[NH2+]Cc1ccc(OC)c(O)c1)OCC ZINC000001724163 364431759 /nfs/dbraw/zinc/43/17/59/364431759.db2.gz QLEXOQDDYBZCBI-UHFFFAOYSA-N 1 0 269.341 1.890 40 0 CDABRO CCc1ccccc1S(=O)(=O)C1CC[NH2+]CC1 ZINC000199773862 189683957 /nfs/dbraw/zinc/68/39/57/189683957.db2.gz BJDLEFNCKURLBV-UHFFFAOYSA-N 1 0 253.367 1.775 40 0 CDABRO OC[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccsc1 ZINC000225532168 189756153 /nfs/dbraw/zinc/75/61/53/189756153.db2.gz PMJUCVRJFXGTKZ-QWHCGFSZSA-N 1 0 271.382 1.914 40 0 CDABRO O=S(=O)(N[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000079440583 374407061 /nfs/dbraw/zinc/40/70/61/374407061.db2.gz PECIRGHATCDYHK-QMMMGPOBSA-N 1 0 295.191 1.634 40 0 CDABRO O=C1c2cccn2[C@@H]2C[NH2+]C[C@@H]2N1Cc1cccs1 ZINC000306128605 374968056 /nfs/dbraw/zinc/96/80/56/374968056.db2.gz HGCDAORTRBAFIU-OLZOCXBDSA-N 1 0 273.361 1.719 40 0 CDABRO CCn1nc(C)c(CNCC[NH+](CC)CC)c1F ZINC000256050679 190003306 /nfs/dbraw/zinc/00/33/06/190003306.db2.gz GCLGEKFJWWROJW-UHFFFAOYSA-N 1 0 256.369 1.782 40 0 CDABRO CCOCCC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256051455 190003483 /nfs/dbraw/zinc/00/34/83/190003483.db2.gz JGAUYOGSEXXQNY-UHFFFAOYSA-N 1 0 265.279 1.955 40 0 CDABRO Cc1cccc(C2(O)CC[NH+]([C@@H]3COC[C@H]3O)CC2)c1 ZINC000257206592 190011584 /nfs/dbraw/zinc/01/15/84/190011584.db2.gz BECXQANKSLAAJU-HUUCEWRRSA-N 1 0 277.364 1.038 40 0 CDABRO CC(C)C[N@@H+]1CCC[C@H](Cc2cc(C(N)=O)ncn2)CC1 ZINC000257214527 190013184 /nfs/dbraw/zinc/01/31/84/190013184.db2.gz CMIOWPLMHKAPIC-ZDUSSCGKSA-N 1 0 290.411 1.876 40 0 CDABRO CCCn1nccc1-c1nccnc1C[C@H]1CC[NH2+]C1 ZINC000257230572 190015973 /nfs/dbraw/zinc/01/59/73/190015973.db2.gz GCWYVJKTIKWKCF-GFCCVEGCSA-N 1 0 271.368 1.902 40 0 CDABRO CCOC(=O)CCc1cc(C)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000257223020 190014914 /nfs/dbraw/zinc/01/49/14/190014914.db2.gz DVNRRXVRSYHTNG-GFCCVEGCSA-N 1 0 277.368 1.748 40 0 CDABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CC[NH2+]C2)n1 ZINC000257272518 190023990 /nfs/dbraw/zinc/02/39/90/190023990.db2.gz NCRVDECJAYHXCY-SNVBAGLBSA-N 1 0 256.313 1.396 40 0 CDABRO COCC[NH+]1CC2(C1)CO[C@@H](Cc1cccnc1)C2 ZINC000257279028 190025741 /nfs/dbraw/zinc/02/57/41/190025741.db2.gz OERPUPAAQNCIQM-AWEZNQCLSA-N 1 0 262.353 1.361 40 0 CDABRO O[C@H]1CC[N@H+](CCOc2ccccc2)C[C@@]12CCCO2 ZINC000257276694 190025799 /nfs/dbraw/zinc/02/57/99/190025799.db2.gz NUTOQIKVOYZIJA-HOTGVXAUSA-N 1 0 277.364 1.681 40 0 CDABRO CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)[C@H]1CCCO1 ZINC000133667803 375809913 /nfs/dbraw/zinc/80/99/13/375809913.db2.gz XYHPBYKTNMMLEK-PFSRBDOWSA-N 1 0 268.401 1.981 40 0 CDABRO CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](O)C[C@@H]3C2)cc1CO ZINC000257285482 190027371 /nfs/dbraw/zinc/02/73/71/190027371.db2.gz PHHXWZAJAGTCNB-FOLVSLTJSA-N 1 0 291.391 1.780 40 0 CDABRO O=C(c1ccccc1Br)N1CCC[NH2+]CC1 ZINC000019679943 284713384 /nfs/dbraw/zinc/71/33/84/284713384.db2.gz ZIKWQWGMVZCBOT-UHFFFAOYSA-N 1 0 283.169 1.885 40 0 CDABRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000070928250 379510770 /nfs/dbraw/zinc/51/07/70/379510770.db2.gz HCOIPWDHOPOLFJ-UHFFFAOYSA-N 1 0 259.353 1.824 40 0 CDABRO CC1(C)C[N@H+](C[C@@H]2CNC(=O)C2)Cc2ccccc21 ZINC000660131855 412946202 /nfs/dbraw/zinc/94/62/02/412946202.db2.gz ODIADRXVZKRDMF-LBPRGKRZSA-N 1 0 258.365 1.916 40 0 CDABRO COC[C@@H]1C[N@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096060200 285299828 /nfs/dbraw/zinc/29/98/28/285299828.db2.gz ZENHMLOKIIHUHE-ZDUSSCGKSA-N 1 0 279.384 1.392 40 0 CDABRO CS(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000048903847 390462792 /nfs/dbraw/zinc/46/27/92/390462792.db2.gz JDYXEPNVEMCVHE-UHFFFAOYSA-N 1 0 282.409 1.722 40 0 CDABRO C[C@@H](Oc1ncc(Br)cn1)[C@@H]1CC[N@H+](C)C1 ZINC000096515819 390532859 /nfs/dbraw/zinc/53/28/59/390532859.db2.gz ZRRRAEIZYIQRST-RKDXNWHRSA-N 1 0 286.173 1.958 40 0 CDABRO CCOC(=O)[C@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000072210553 390618141 /nfs/dbraw/zinc/61/81/41/390618141.db2.gz ZNVGCCZAECCMFT-LBPRGKRZSA-N 1 0 254.374 1.676 40 0 CDABRO COC[C@@H]1CN(C(C)=O)CC[N@H+](Cc2ccncc2)C1 ZINC000072343685 390627255 /nfs/dbraw/zinc/62/72/55/390627255.db2.gz ZQUABUAYIQBNIG-HNNXBMFYSA-N 1 0 277.368 1.008 40 0 CDABRO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CCOCC1 ZINC000096057812 390912316 /nfs/dbraw/zinc/91/23/16/390912316.db2.gz CPMABKYVKSYOIO-RRFJBIMHSA-N 1 0 269.385 1.681 40 0 CDABRO NC(=O)[C@@H](C(=O)CN1CCCCC1)c1ccccc1 ZINC000005999565 391257198 /nfs/dbraw/zinc/25/71/98/391257198.db2.gz UFBPPEOSLKITDF-CQSZACIVSA-N 1 0 260.337 1.311 40 0 CDABRO CC(C)C(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)CC[C@@H]1O ZINC000257343891 391650100 /nfs/dbraw/zinc/65/01/00/391650100.db2.gz ZUTZQHKDTLNHCV-QWRGUYRKSA-N 1 0 296.333 1.536 40 0 CDABRO CCc1ccc([C@@H]2[C@H](C[NH3+])[C@H]2S(=O)(=O)CC)cc1 ZINC000252515732 392796977 /nfs/dbraw/zinc/79/69/77/392796977.db2.gz NBBAEOSFOGDZKE-BFHYXJOUSA-N 1 0 267.394 1.724 40 0 CDABRO O=C(Cn1cncn1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000019407029 170787849 /nfs/dbraw/zinc/78/78/49/170787849.db2.gz SEGIQGDGVGGETK-UHFFFAOYSA-N 1 0 291.399 1.145 40 0 CDABRO CN(CC[NH+]1CCCCC1)C(=O)c1cnn2cccnc12 ZINC000019657749 170833912 /nfs/dbraw/zinc/83/39/12/170833912.db2.gz KWFFOUFJBIHMOU-UHFFFAOYSA-N 1 0 287.367 1.287 40 0 CDABRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000020182420 171046011 /nfs/dbraw/zinc/04/60/11/171046011.db2.gz RGMWDZQEPULBEE-VIFPVBQESA-N 1 0 260.384 1.108 40 0 CDABRO CC1(C)C[C@H](C[NH2+]CCN2CCOCC2)CCO1 ZINC000027666627 171528695 /nfs/dbraw/zinc/52/86/95/171528695.db2.gz VSYJWTXZECFENC-CYBMUJFWSA-N 1 0 256.390 1.113 40 0 CDABRO [NH3+]CC1CN([C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952189 174176906 /nfs/dbraw/zinc/17/69/06/174176906.db2.gz IMJNDWDQGGGJDF-OAHLLOKOSA-N 1 0 289.379 1.288 40 0 CDABRO CC[N@H+](CCC(=O)NC(N)=O)Cc1ccc(OC)c(F)c1 ZINC000044892003 175273233 /nfs/dbraw/zinc/27/32/33/175273233.db2.gz RINSZMPGPHQSKJ-UHFFFAOYSA-N 1 0 297.330 1.241 40 0 CDABRO CSc1nc(Cl)cc(OC[C@H]2CCC[NH2+]2)n1 ZINC000072203812 176341835 /nfs/dbraw/zinc/34/18/35/176341835.db2.gz GOCPKKYOHIPEOX-SSDOTTSWSA-N 1 0 259.762 1.983 40 0 CDABRO CC(C)(C)OC(=O)N1CCC([C@](C)(O)C[NH3+])CC1 ZINC000072208106 176343029 /nfs/dbraw/zinc/34/30/29/176343029.db2.gz KSSIXVLMGLOOCU-CYBMUJFWSA-N 1 0 258.362 1.343 40 0 CDABRO CNC(=O)CCc1cc(C)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000072363376 176377412 /nfs/dbraw/zinc/37/74/12/176377412.db2.gz RZSCDMZFYIIRDY-LBPRGKRZSA-N 1 0 262.357 1.278 40 0 CDABRO Cc1nc(CN2C[C@@]3(CC[NH2+]C3)CC2=O)cs1 ZINC000096239347 265344447 /nfs/dbraw/zinc/34/44/47/265344447.db2.gz IAFONTYAAYCDAA-LBPRGKRZSA-N 1 0 251.355 1.164 40 0 CDABRO C[NH2+]C[C@]1(O)CCN(c2cc(C)nc3ccncc32)C1 ZINC000257228146 273968730 /nfs/dbraw/zinc/96/87/30/273968730.db2.gz FSNPEFRFNFAHLA-OAHLLOKOSA-N 1 0 272.352 1.099 40 0 CDABRO C[NH2+]C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1 ZINC000257256718 277029673 /nfs/dbraw/zinc/02/96/73/277029673.db2.gz KMOIMCMLWORVHU-HNNXBMFYSA-N 1 0 272.352 1.181 40 0 CDABRO CC(=O)N1C[C@@H]2C[N@H+](CC(C)C)CCN2C(C)(C)C1 ZINC000253401005 278071486 /nfs/dbraw/zinc/07/14/86/278071486.db2.gz MGVDQIYFJGIFMI-AWEZNQCLSA-N 1 0 267.417 1.269 40 0 biogenic,in-vitro CDABRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000040468061 278525986 /nfs/dbraw/zinc/52/59/86/278525986.db2.gz KIEBJMGMGMYFHN-QJPTWQEYSA-N 1 0 254.374 1.530 40 0 CDABRO Cc1cc(=NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)[nH]n1C(C)C ZINC000333477935 280293626 /nfs/dbraw/zinc/29/36/26/280293626.db2.gz FFFHIEAVBDTJOH-CYBMUJFWSA-N 1 0 293.415 1.752 40 0 CDABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccc(Br)cc1 ZINC000062713672 527222185 /nfs/dbraw/zinc/22/21/85/527222185.db2.gz XHBXSBJVSFMDCS-WDEREUQCSA-N 1 0 256.143 1.874 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(c2ncncc2-c2ccccc2)C1 ZINC000895010880 619198180 /nfs/dbraw/zinc/19/81/80/619198180.db2.gz XHJNFKSJMWHCOB-QGZVFWFLSA-N 1 0 298.390 1.646 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001548448005 967501668 /nfs/dbraw/zinc/50/16/68/967501668.db2.gz CXGNCIGNRVUNIA-KPXOXKRLSA-N 1 0 284.306 1.171 40 0 CDABRO C[C@H](SCc1ccccc1)C(=O)NCC[NH+](C)C ZINC000010111503 230370776 /nfs/dbraw/zinc/37/07/76/230370776.db2.gz CMGYHKBXHSKRNA-LBPRGKRZSA-N 1 0 266.410 1.986 40 0 CDABRO CC(C)[NH2+]C[C@H]1OCCc2cn(CC3CCOCC3)nc21 ZINC000096044426 185071917 /nfs/dbraw/zinc/07/19/17/185071917.db2.gz NOHGOVSCVFPAFT-OAHLLOKOSA-N 1 0 293.411 1.922 40 0 CDABRO O=C([C@@H]1CCOC1)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096047367 185073512 /nfs/dbraw/zinc/07/35/12/185073512.db2.gz QGUKOZVYAWHFMH-GFCCVEGCSA-N 1 0 252.358 1.015 40 0 CDABRO O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053809 185076590 /nfs/dbraw/zinc/07/65/90/185076590.db2.gz XMBFHTKSEWIBNU-ZIAGYGMSSA-N 1 0 297.358 1.879 40 0 CDABRO c1cn2c(n1)C[NH2+]C[C@H](COCc1cccnc1)C2 ZINC000096059134 185079323 /nfs/dbraw/zinc/07/93/23/185079323.db2.gz MLLWBXZUICHFIT-ZDUSSCGKSA-N 1 0 258.325 1.214 40 0 CDABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N(C)[C@H]3C)o1 ZINC000096062228 185082357 /nfs/dbraw/zinc/08/23/57/185082357.db2.gz RPYRIVFSYXANBH-ZDUSSCGKSA-N 1 0 292.379 1.800 40 0 CDABRO O[C@H]1CC[N@H+](Cc2ccco2)[C@H]1Cc1cccnc1 ZINC000096061631 185082822 /nfs/dbraw/zinc/08/28/22/185082822.db2.gz VLXBMIWDEHXYOR-GJZGRUSLSA-N 1 0 258.321 1.853 40 0 CDABRO OCC[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1 ZINC000096078141 185089810 /nfs/dbraw/zinc/08/98/10/185089810.db2.gz PSOFPTOYGIEJFX-CQSZACIVSA-N 1 0 297.349 1.611 40 0 CDABRO Cc1oncc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000096088513 185093365 /nfs/dbraw/zinc/09/33/65/185093365.db2.gz RKGNZASFMCYAGU-UHFFFAOYSA-N 1 0 263.341 1.589 40 0 CDABRO COC[C@]12COC[C@H]1C[N@H+](Cc1cccnc1OC)C2 ZINC000096108626 185099922 /nfs/dbraw/zinc/09/99/22/185099922.db2.gz AOTLXCGOOWTMOP-UKRRQHHQSA-N 1 0 278.352 1.185 40 0 CDABRO Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC000096110640 185101584 /nfs/dbraw/zinc/10/15/84/185101584.db2.gz VYDAPYFRJOMATF-IYBDPMFKSA-N 1 0 297.406 1.379 40 0 CDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(Br)cs1 ZINC000396852778 342168675 /nfs/dbraw/zinc/16/86/75/342168675.db2.gz VLJFKLYJCSGYMI-JGVFFNPUSA-N 1 0 290.182 1.987 40 0 CDABRO Cc1ccccc1OC[C@]1(O)CC[N@@H+](C2CCOCC2)C1 ZINC000585274645 342256035 /nfs/dbraw/zinc/25/60/35/342256035.db2.gz LSRIOJDADIJFNI-KRWDZBQOSA-N 1 0 291.391 1.990 40 0 CDABRO OCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585289720 342258783 /nfs/dbraw/zinc/25/87/83/342258783.db2.gz WBRRWIPGKJVUJT-BFHYXJOUSA-N 1 0 269.316 1.068 40 0 CDABRO COC[C@H]1CN(C(=O)c2ccsc2)CC12CC[NH2+]CC2 ZINC000257182558 342441258 /nfs/dbraw/zinc/44/12/58/342441258.db2.gz PPICCUZDBUPTND-CYBMUJFWSA-N 1 0 294.420 1.836 40 0 CDABRO COCCN(C)C(=O)c1ccccc1-n1cnc(C[NH3+])c1 ZINC000257258702 362580940 /nfs/dbraw/zinc/58/09/40/362580940.db2.gz KVDNIQDBRHLJCL-UHFFFAOYSA-N 1 0 288.351 1.049 40 0 CDABRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH2+]CC2 ZINC000306134728 201842087 /nfs/dbraw/zinc/84/20/87/201842087.db2.gz NWFVHNRWRMIHSH-OAHLLOKOSA-N 1 0 288.391 1.771 40 0 CDABRO CC(C)CCO[C@H]1COCC[N@@H+](C2CCN(C)CC2)C1 ZINC000085436030 179062658 /nfs/dbraw/zinc/06/26/58/179062658.db2.gz FKCRLFFLLXBNCE-MRXNPFEDSA-N 1 0 284.444 1.844 40 0 biogenic,in-vitro CDABRO Cc1cccc(C[N@H+]2CC[C@@]3(C[C@H]3C(=O)N(C)C)C2)n1 ZINC000107235812 186163097 /nfs/dbraw/zinc/16/30/97/186163097.db2.gz SYWZZOGEMGYICF-GOEBONIOSA-N 1 0 273.380 1.690 40 0 CDABRO CNc1ncccc1C[N@@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713235 351347974 /nfs/dbraw/zinc/34/79/74/351347974.db2.gz UBLPSJIVNWZFLP-UONOGXRCSA-N 1 0 288.395 1.756 40 0 CDABRO O=C(c1ccc(F)c(F)c1)N1CC[C@@H]2CC[C@H](C1)[NH2+]2 ZINC000122467186 187033946 /nfs/dbraw/zinc/03/39/46/187033946.db2.gz CKYCNHNXMVSPGI-WDEREUQCSA-N 1 0 266.291 1.931 40 0 CDABRO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)CC2 ZINC000019286451 356479839 /nfs/dbraw/zinc/47/98/39/356479839.db2.gz PXDGQNGZYAJYNM-UHFFFAOYSA-N 1 0 275.377 1.741 40 0 CDABRO COc1ccc2c(c1)C=C(C[NH+]1CCC(O)CC1)CO2 ZINC000019562257 356491510 /nfs/dbraw/zinc/49/15/10/356491510.db2.gz OMUXDWYZOZLPPQ-UHFFFAOYSA-N 1 0 275.348 1.928 40 0 CDABRO CCCS(=O)(=O)N1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000033316937 356798936 /nfs/dbraw/zinc/79/89/36/356798936.db2.gz CYXYNMSOFRFXOP-RRFJBIMHSA-N 1 0 298.452 1.556 40 0 CDABRO CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391388 356988607 /nfs/dbraw/zinc/98/86/07/356988607.db2.gz QLVOFDRZIGLEMI-NEPJUHHUSA-N 1 0 299.415 1.438 40 0 CDABRO Cc1nn(C)c(C)c1-c1noc([C@@H]2CCC[NH2+]CC2)n1 ZINC000095095445 366389963 /nfs/dbraw/zinc/38/99/63/366389963.db2.gz MJTYNHPMEWPMFJ-LLVKDONJSA-N 1 0 275.356 1.944 40 0 CDABRO O=C1NCCO[C@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]12 ZINC000096107069 358708438 /nfs/dbraw/zinc/70/84/38/358708438.db2.gz SRPOVYUUTLEVNZ-OCCSQVGLSA-N 1 0 278.327 1.163 40 0 CDABRO c1ccc(CN2C[C@@H]3C[N@H+](CC4CC4)C[C@@H]3C2)nc1 ZINC000096161612 358710973 /nfs/dbraw/zinc/71/09/73/358710973.db2.gz GCSQTHWXASPCMQ-GASCZTMLSA-N 1 0 257.381 1.855 40 0 CDABRO O=C(C1CCC1)N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096161510 358710992 /nfs/dbraw/zinc/71/09/92/358710992.db2.gz RIOWZQVPUPPJKY-IYBDPMFKSA-N 1 0 285.391 1.772 40 0 CDABRO COC[C@H]1Cn2ccnc2CN(C(=O)Cc2ccccc2)C1 ZINC000096187751 358715104 /nfs/dbraw/zinc/71/51/04/358715104.db2.gz SEQRWHNDBHSGGS-HNNXBMFYSA-N 1 0 299.374 1.731 40 0 CDABRO CCOC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cnn(C)c2)O1 ZINC000096186635 358715371 /nfs/dbraw/zinc/71/53/71/358715371.db2.gz NVZAXVJMILWMPO-ILXRZTDVSA-N 1 0 279.384 1.579 40 0 CDABRO COC[C@@H]1Cn2ccnc2CN(C(=O)N2CCCC2)C1 ZINC000096187784 358715563 /nfs/dbraw/zinc/71/55/63/358715563.db2.gz CBLIPDKVCUMMCS-GFCCVEGCSA-N 1 0 278.356 1.177 40 0 CDABRO C[N@@H+]1CC[C@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096201913 358719483 /nfs/dbraw/zinc/71/94/83/358719483.db2.gz DSYKGZRMLUKKPP-CQSZACIVSA-N 1 0 266.410 1.902 40 0 CDABRO COc1ncccc1C[NH+]1CCC2(CN(C)C2=O)CC1 ZINC000096202798 358719644 /nfs/dbraw/zinc/71/96/44/358719644.db2.gz MUJXGQDPWZWPKD-UHFFFAOYSA-N 1 0 275.352 1.144 40 0 CDABRO Cc1nc(C(=O)N2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)cs1 ZINC000096206079 358720242 /nfs/dbraw/zinc/72/02/42/358720242.db2.gz RCHGTLOOXVOIHG-RISCZKNCSA-N 1 0 295.408 1.102 40 0 CDABRO CO[C@@H]1CO[C@@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1 ZINC000096218359 358722226 /nfs/dbraw/zinc/72/22/26/358722226.db2.gz FRKPEGTYIDCTHY-GJZGRUSLSA-N 1 0 262.353 1.770 40 0 CDABRO C[N@@H+]1CCOCC2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000096239838 358724847 /nfs/dbraw/zinc/72/48/47/358724847.db2.gz YIQGETFAURHHNS-UHFFFAOYSA-N 1 0 294.420 1.933 40 0 CDABRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3CC2CC2)n1 ZINC000096245876 358725646 /nfs/dbraw/zinc/72/56/46/358725646.db2.gz FHEZWEVZXGPYDA-HOTGVXAUSA-N 1 0 285.391 1.975 40 0 CDABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](CCO)C[C@H]12 ZINC000096251880 358727365 /nfs/dbraw/zinc/72/73/65/358727365.db2.gz XMCNVKJEWLXUPV-IRXDYDNUSA-N 1 0 288.391 1.243 40 0 CDABRO c1nc2c(c(NC3CCC3)n1)CC[N@@H+]([C@H]1CCOC1)CC2 ZINC000096255787 358728971 /nfs/dbraw/zinc/72/89/71/358728971.db2.gz DGAYMPHTZPKRTO-ZDUSSCGKSA-N 1 0 288.395 1.631 40 0 CDABRO CN(C)C(=O)Cn1cccc2cc(C3CC[NH2+]CC3)nc1-2 ZINC000100228854 358823390 /nfs/dbraw/zinc/82/33/90/358823390.db2.gz ZBGMWIHXPGFBHH-UHFFFAOYSA-N 1 0 286.379 1.543 40 0 CDABRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1N(C)C ZINC000075649349 283397040 /nfs/dbraw/zinc/39/70/40/283397040.db2.gz GTNJVGGWOCTEMC-AWEZNQCLSA-N 1 0 261.369 1.463 40 0 CDABRO [NH3+]C[C@H]1CCN(c2cccc(Cl)c2)S1(=O)=O ZINC000222543338 359352652 /nfs/dbraw/zinc/35/26/52/359352652.db2.gz VWCXBIKXUNZLIK-SNVBAGLBSA-N 1 0 260.746 1.207 40 0 CDABRO COCCCn1c(C)cc(C[NH2+]CCOC)c1C ZINC000223661137 359444373 /nfs/dbraw/zinc/44/43/73/359444373.db2.gz GFVUYINIHYSWSO-UHFFFAOYSA-N 1 0 254.374 1.877 40 0 CDABRO Cc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)cc2cccnc12 ZINC000335323563 359908757 /nfs/dbraw/zinc/90/87/57/359908757.db2.gz GWEPEMGFFUEOOQ-CQSZACIVSA-N 1 0 269.348 1.864 40 0 CDABRO C[C@H]1[C@@H](c2ccccc2)[N@H+](C)CC[C@]12NC(=O)NC2=O ZINC000004011779 291291138 /nfs/dbraw/zinc/29/11/38/291291138.db2.gz FQTIIVLASVNVSP-WBIUFABUSA-N 1 0 273.336 1.278 40 0 CDABRO COc1ccccc1OC[C@@H](C)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000225485322 374495594 /nfs/dbraw/zinc/49/55/94/374495594.db2.gz LXAUUNWICKZBSW-STQMWFEESA-N 1 0 292.379 1.578 40 0 CDABRO CC(C)CCC1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000225489913 374496791 /nfs/dbraw/zinc/49/67/91/374496791.db2.gz BPXRFISPDIQYDR-KBPBESRZSA-N 1 0 268.401 1.384 40 0 CDABRO CC(C)N1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 ZINC000306127352 374968524 /nfs/dbraw/zinc/96/85/24/374968524.db2.gz FWNSFKYRCHKCIL-GFCCVEGCSA-N 1 0 298.337 1.562 40 0 CDABRO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CCO[C@@H]2CCCCO2)CN1 ZINC000225530923 375161161 /nfs/dbraw/zinc/16/11/61/375161161.db2.gz VVZZJYWKSVYZCZ-OFQRWUPVSA-N 1 0 296.411 1.520 40 0 CDABRO COc1ccc(-n2cnc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000226753446 375394608 /nfs/dbraw/zinc/39/46/08/375394608.db2.gz YVMRQSLRWYODMA-UHFFFAOYSA-N 1 0 288.351 1.172 40 0 CDABRO C[N@H+](C[C@@H](O)c1cncc(Br)c1)C1CC1 ZINC000217527357 375663477 /nfs/dbraw/zinc/66/34/77/375663477.db2.gz QMNLGIHFPQRZGT-LLVKDONJSA-N 1 0 271.158 1.972 40 0 CDABRO Cc1[nH]c2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2c1C ZINC000257198084 190010564 /nfs/dbraw/zinc/01/05/64/190010564.db2.gz SEWMQUWAKCXPED-AWEZNQCLSA-N 1 0 273.336 1.712 40 0 CDABRO Cc1nc(N)sc1-c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000257203781 190011276 /nfs/dbraw/zinc/01/12/76/190011276.db2.gz ARPMVYYLQWZVCT-VIFPVBQESA-N 1 0 275.381 1.958 40 0 CDABRO C[NH+]1CCC(N2CCC[C@H]2c2ncc(C(N)=O)s2)CC1 ZINC000257205522 190011445 /nfs/dbraw/zinc/01/14/45/190011445.db2.gz AZLXRIQZOQHVOK-NSHDSACASA-N 1 0 294.424 1.473 40 0 CDABRO C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000257207960 190012559 /nfs/dbraw/zinc/01/25/59/190012559.db2.gz BKBRXZHZNGLLDB-MRXNPFEDSA-N 1 0 294.370 1.283 40 0 CDABRO Cc1cc(-c2nccnc2C[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000257214773 190013183 /nfs/dbraw/zinc/01/31/83/190013183.db2.gz CNKDMTSLJGECPP-LLVKDONJSA-N 1 0 257.341 1.717 40 0 CDABRO c1cnc(Nc2cncc([C@@H]3CCC[NH2+]C3)n2)cn1 ZINC000257220313 190014775 /nfs/dbraw/zinc/01/47/75/190014775.db2.gz DKIZDRWXVHBQRT-SNVBAGLBSA-N 1 0 256.313 1.477 40 0 CDABRO Cn1nccc1CCC(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257239277 190018083 /nfs/dbraw/zinc/01/80/83/190018083.db2.gz HOQRDJRWEGWJSL-DZGCQCFKSA-N 1 0 290.411 1.343 40 0 CDABRO C[N@H+](Cc1ccnc([C@H]2CCCO2)n1)C1CCOCC1 ZINC000257251291 190019894 /nfs/dbraw/zinc/01/98/94/190019894.db2.gz JQCZBSBOBRWAHS-CQSZACIVSA-N 1 0 277.368 1.939 40 0 CDABRO CNC(=O)C[NH+]1CCC(Cc2ccnc(C)c2)CC1 ZINC000257255115 190021111 /nfs/dbraw/zinc/02/11/11/190021111.db2.gz KGDSOMKEEUJWKH-UHFFFAOYSA-N 1 0 261.369 1.391 40 0 CDABRO Cc1noc(C)c1-c1cc(C[C@@H]2CC[NH2+]C2)ncn1 ZINC000257256263 190021733 /nfs/dbraw/zinc/02/17/33/190021733.db2.gz KKSIVIQUYRIUPJ-NSHDSACASA-N 1 0 258.325 1.900 40 0 CDABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2Cl)C1 ZINC000257263225 190022077 /nfs/dbraw/zinc/02/20/77/190022077.db2.gz LOYPOCQMISLGSV-SNVBAGLBSA-N 1 0 255.749 1.956 40 0 CDABRO CCOC[C@]1([NH3+])C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218005042 375776611 /nfs/dbraw/zinc/77/66/11/375776611.db2.gz XTTILHAPXQSDJK-NWDGAFQWSA-N 1 0 289.784 1.620 40 0 CDABRO c1nc2ncccn2c1-c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000257293409 190028491 /nfs/dbraw/zinc/02/84/91/190028491.db2.gz QPIRSHVRFDPIPZ-SNVBAGLBSA-N 1 0 266.308 1.611 40 0 CDABRO Cn1cc(-c2cncc(CC3CC[NH2+]CC3)n2)cn1 ZINC000257311106 190031945 /nfs/dbraw/zinc/03/19/45/190031945.db2.gz UHYIBIMFFSMMQJ-UHFFFAOYSA-N 1 0 257.341 1.419 40 0 CDABRO Cc1c[nH]nc1[C@H]1CC[N@H+](CC2(O)CCOCC2)C1 ZINC000257314501 190032779 /nfs/dbraw/zinc/03/27/79/190032779.db2.gz UXGLDSBJTBZRCB-LBPRGKRZSA-N 1 0 265.357 1.049 40 0 CDABRO CCc1nnc(CN2CCC[C@H](c3nncn3CC)C2)o1 ZINC000328604758 375889976 /nfs/dbraw/zinc/88/99/76/375889976.db2.gz IXCHJAUMKXGXCH-NSHDSACASA-N 1 0 290.371 1.623 40 0 CDABRO [NH3+]CCCS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935992 177902720 /nfs/dbraw/zinc/90/27/20/177902720.db2.gz HYHVKIMKSOYRER-UHFFFAOYSA-N 1 0 267.272 1.828 40 0 CDABRO C[N@@H+]1CCc2c(COCC(=O)N3CCCC3)cncc2C1 ZINC000096189422 256817840 /nfs/dbraw/zinc/81/78/40/256817840.db2.gz XKZBAQWNDVUPDI-UHFFFAOYSA-N 1 0 289.379 1.209 40 0 CDABRO CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccc(C)c3)C2)C1 ZINC000096225434 256828446 /nfs/dbraw/zinc/82/84/46/256828446.db2.gz LIJFEPDDYHNWHA-INIZCTEOSA-N 1 0 287.363 1.462 40 0 CDABRO [NH3+]CCCc1nc(CC(=O)Nc2ccccc2)no1 ZINC000095095755 184942623 /nfs/dbraw/zinc/94/26/23/184942623.db2.gz PGSZGPOTHCOZLR-UHFFFAOYSA-N 1 0 260.297 1.142 40 0 CDABRO CN1C(=O)C(c2cccc(F)c2)=N[C@]12CCC[NH2+]C2 ZINC000096516445 390534672 /nfs/dbraw/zinc/53/46/72/390534672.db2.gz HFMOAEQSGKXZRV-CQSZACIVSA-N 1 0 261.300 1.167 40 0 CDABRO CC[C@@H]([C@H]([NH3+])c1cccc(N)c1)S(=O)(=O)CC ZINC000096524947 390539972 /nfs/dbraw/zinc/53/99/72/390539972.db2.gz KHFGTRUQMISORT-NWDGAFQWSA-N 1 0 256.371 1.482 40 0 CDABRO CC[C@@H]([NH3+])c1ccc(N2CCN(C(C)=O)CC2)nc1 ZINC000072225641 390625872 /nfs/dbraw/zinc/62/58/72/390625872.db2.gz KNFLNNVTHVBQHU-CYBMUJFWSA-N 1 0 262.357 1.160 40 0 CDABRO COc1cccc(NCCc2nnc([C@H](C)[NH3+])[nH]2)c1 ZINC000095534660 390611552 /nfs/dbraw/zinc/61/15/52/390611552.db2.gz AKVVBPLFQBNCBS-VIFPVBQESA-N 1 0 261.329 1.488 40 0 CDABRO O=C1C[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(F)cc1 ZINC000096157206 390913273 /nfs/dbraw/zinc/91/32/73/390913273.db2.gz RNFBKSRYAIOVSH-OAHLLOKOSA-N 1 0 276.311 1.454 40 0 CDABRO CC(C)(O)C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000019368993 391320550 /nfs/dbraw/zinc/32/05/50/391320550.db2.gz LWMGQDUIUADEKP-OAHLLOKOSA-N 1 0 278.396 1.109 40 0 CDABRO CNc1ncc(C[NH2+]CCOc2ccccn2)cn1 ZINC000062717498 391571093 /nfs/dbraw/zinc/57/10/93/391571093.db2.gz JHYJDWABMIZDQC-UHFFFAOYSA-N 1 0 259.313 1.082 40 0 CDABRO C[NH+]1CCN(c2ccc(C3OCCO3)c(F)c2)CC1 ZINC000090505059 135063073 /nfs/dbraw/zinc/06/30/73/135063073.db2.gz SQBLLWYOZCZGHX-UHFFFAOYSA-N 1 0 266.316 1.623 40 0 CDABRO CCO[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])C12CCCCC2 ZINC000236848983 286252560 /nfs/dbraw/zinc/25/25/60/286252560.db2.gz WKSIZXKTGFOYQY-VXGBXAGGSA-N 1 0 268.401 1.968 40 0 CDABRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)C)C12CCOCC2 ZINC000249001136 286388439 /nfs/dbraw/zinc/38/84/39/286388439.db2.gz NAHQORQUIOKNQZ-HZSPNIEDSA-N 1 0 271.401 1.567 40 0 CDABRO [NH3+]CCN1C(=O)S[C@@H](Cc2ccccc2)C1=O ZINC000006529721 170210943 /nfs/dbraw/zinc/21/09/43/170210943.db2.gz RGEOMOHHIAKZJV-JTQLQIEISA-N 1 0 250.323 1.252 40 0 CDABRO Cc1cc(=S)cc(C)n1CCN1CC[NH2+]CC1 ZINC000019681624 170838454 /nfs/dbraw/zinc/83/84/54/170838454.db2.gz ZUICAFUWROSYHT-UHFFFAOYSA-N 1 0 251.399 1.740 40 0 CDABRO CC(C)Oc1ccc(NC(=O)N2CC[NH2+]CC2)cc1 ZINC000022012737 171349120 /nfs/dbraw/zinc/34/91/20/171349120.db2.gz HLPOSBBZRPZKDF-UHFFFAOYSA-N 1 0 263.341 1.911 40 0 CDABRO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(F)c2)C[C@@H](C)O1 ZINC000022168447 171366732 /nfs/dbraw/zinc/36/67/32/171366732.db2.gz KOSVWTNJZPXZKA-GYSYKLTISA-N 1 0 252.333 1.935 40 0 CDABRO CC[NH+]1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000022585951 171393220 /nfs/dbraw/zinc/39/32/20/171393220.db2.gz BABAQWACRPWCAH-CQSZACIVSA-N 1 0 269.433 1.658 40 0 CDABRO CC(C)(O)C[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000022595709 171393823 /nfs/dbraw/zinc/39/38/23/171393823.db2.gz LWMGQDUIUADEKP-HNNXBMFYSA-N 1 0 278.396 1.109 40 0 CDABRO CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2cncnc2N)no1 ZINC000035426053 172193926 /nfs/dbraw/zinc/19/39/26/172193926.db2.gz IHUSFDPWVXRYJU-JTQLQIEISA-N 1 0 274.328 1.654 40 0 biogenic,in-vitro CDABRO CN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000037540995 173262709 /nfs/dbraw/zinc/26/27/09/173262709.db2.gz UOUAKTVBKHUETH-NSHDSACASA-N 1 0 262.309 1.239 40 0 CDABRO CNC(=O)[C@]1(C)CCC[N@H+](Cc2cccnc2NC)C1 ZINC000072346332 176373239 /nfs/dbraw/zinc/37/32/39/176373239.db2.gz CIZJFBZLCSFQCQ-OAHLLOKOSA-N 1 0 276.384 1.471 40 0 CDABRO NC(=O)C[N@@H+]1CC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000072367887 176382610 /nfs/dbraw/zinc/38/26/10/176382610.db2.gz CJNWREWJJNPTSL-CYBMUJFWSA-N 1 0 269.348 1.585 40 0 CDABRO Cc1c[nH]nc1[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000072385603 176390356 /nfs/dbraw/zinc/39/03/56/176390356.db2.gz NTUCZJAXXRZHRA-CQSZACIVSA-N 1 0 290.411 1.766 40 0 CDABRO c1ccc(CCNc2cnc([C@@H]3CCC[NH2+]3)cn2)nc1 ZINC000072386842 176392401 /nfs/dbraw/zinc/39/24/01/176392401.db2.gz NEANBLRFJQNAIT-ZDUSSCGKSA-N 1 0 269.352 1.951 40 0 CDABRO Cc1nc(NC2CCOCC2)cc([C@@H]2C[NH2+]CCO2)n1 ZINC000072386969 176392502 /nfs/dbraw/zinc/39/25/02/176392502.db2.gz ZGQFXJFQNDFPPN-ZDUSSCGKSA-N 1 0 278.356 1.037 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000079409659 177481843 /nfs/dbraw/zinc/48/18/43/177481843.db2.gz KZEPYOWDSSZRPE-SDDRHHMPSA-N 1 0 299.415 1.628 40 0 CDABRO c1cn2ccnc(N3CC[NH+](C4CCC4)CC3)c2n1 ZINC000306137573 275073297 /nfs/dbraw/zinc/07/32/97/275073297.db2.gz RAERZKVHWQGTHJ-UHFFFAOYSA-N 1 0 257.341 1.404 40 0 CDABRO CC[N@@H+](CC(=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393379 276087855 /nfs/dbraw/zinc/08/78/55/276087855.db2.gz AFIMQSUSIMGKTK-OAHLLOKOSA-N 1 0 276.380 1.915 40 0 CDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000339470986 276371523 /nfs/dbraw/zinc/37/15/23/276371523.db2.gz KQWCSSHIRQMCBG-MJBXVCDLSA-N 1 0 295.427 1.282 40 0 CDABRO CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CC[NH2+]CC2 ZINC000257197692 277006423 /nfs/dbraw/zinc/00/64/23/277006423.db2.gz GNHNIJGNECDRCE-AWEZNQCLSA-N 1 0 276.355 1.969 40 0 CDABRO CC(C)(C)CC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC000096049031 277135884 /nfs/dbraw/zinc/13/58/84/277135884.db2.gz LKWKBDBEVJSTRR-UHFFFAOYSA-N 1 0 254.374 1.404 40 0 CDABRO COC[C@H]1CN(C(C)=O)CC[N@H+](Cc2ccncc2)C1 ZINC000072343686 277254410 /nfs/dbraw/zinc/25/44/10/277254410.db2.gz ZQUABUAYIQBNIG-OAHLLOKOSA-N 1 0 277.368 1.008 40 0 CDABRO COc1ccc2c(c1OC)OC[C@@H](C[NH+](C)C)C2=O ZINC000003594232 277998433 /nfs/dbraw/zinc/99/84/33/277998433.db2.gz RRDYAYUAHOIMFI-SECBINFHSA-N 1 0 265.309 1.457 40 0 CDABRO Cc1c[nH]c([C@H]2CC[N@H+](CC3(O)CCOCC3)C2)n1 ZINC000257276973 280279280 /nfs/dbraw/zinc/27/92/80/280279280.db2.gz NVXSEFOUSOWRAO-LBPRGKRZSA-N 1 0 265.357 1.049 40 0 CDABRO Cc1cc(=O)[nH]c2c1c(=O)[nH]n2[C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000008578869 280301653 /nfs/dbraw/zinc/30/16/53/280301653.db2.gz MVFIEUFRENOXDE-AXFHLTTASA-N 1 0 290.367 1.228 40 0 CDABRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH2+]C2 ZINC000004102384 295278492 /nfs/dbraw/zinc/27/84/92/295278492.db2.gz AIXQQSTVOSFSMO-RBOXIYTFSA-N 1 0 273.332 1.508 40 0 in-vitro CDABRO COc1ccc(N2CC[C@H](C[NH3+])S2(=O)=O)cc1Cl ZINC000260781628 328069828 /nfs/dbraw/zinc/06/98/28/328069828.db2.gz UDRARBWWVNEJOG-SECBINFHSA-N 1 0 290.772 1.216 40 0 CDABRO CCN(Cc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1)C(C)=O ZINC000152034628 323211345 /nfs/dbraw/zinc/21/13/45/323211345.db2.gz GRIAPAPPFMCZDH-CQSZACIVSA-N 1 0 289.379 1.603 40 0 CDABRO c1cn(CCC[NH2+]Cc2cnc(N3CCCC3)nc2)cn1 ZINC000062717817 333176199 /nfs/dbraw/zinc/17/61/99/333176199.db2.gz KSAGKMRFNQEZRY-UHFFFAOYSA-N 1 0 286.383 1.453 40 0 CDABRO CN(C)C(=O)[C@@H]1C[N@H+](C)[C@H]2c3cc(F)ccc3OC[C@H]21 ZINC001772595571 1159316859 /nfs/dbraw/zinc/31/68/59/1159316859.db2.gz GTPPZYKRPORUSS-DYEKYZERSA-N 1 0 278.327 1.525 40 0 CDABRO Cn1cnc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC000291525762 534803477 /nfs/dbraw/zinc/80/34/77/534803477.db2.gz PKGOITWVHHTKQG-ZDUSSCGKSA-N 1 0 297.362 1.440 40 0 CDABRO C[NH+]1CCC(CC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000074921029 567903729 /nfs/dbraw/zinc/90/37/29/567903729.db2.gz OCHOBWDXAKOLSM-UHFFFAOYSA-N 1 0 275.352 1.456 40 0 CDABRO C[NH+]1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000074713385 567903869 /nfs/dbraw/zinc/90/38/69/567903869.db2.gz COAHVVBIPLFKSD-UHFFFAOYSA-N 1 0 261.325 1.066 40 0 CDABRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000009993182 230370722 /nfs/dbraw/zinc/37/07/22/230370722.db2.gz BRAISOMHIOBEIK-UHFFFAOYSA-N 1 0 287.722 1.095 40 0 CDABRO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]cn3)C2=O)cc1 ZINC000105331266 230393722 /nfs/dbraw/zinc/39/37/22/230393722.db2.gz TTWFLOZHCSYQOB-CQSZACIVSA-N 1 0 298.346 1.182 40 0 CDABRO CC[C@@](C)(O)CCc1cc(C[NH2+]CCO)c(C)cc1N ZINC000095863278 185030229 /nfs/dbraw/zinc/03/02/29/185030229.db2.gz ITINDKYENZORQH-MRXNPFEDSA-N 1 0 280.412 1.753 40 0 CDABRO O=C(NC[C@]1(F)CC[NH2+]C1)OCc1ccccc1 ZINC000096024126 185066587 /nfs/dbraw/zinc/06/65/87/185066587.db2.gz IVWWUUKEBHFDIJ-ZDUSSCGKSA-N 1 0 252.289 1.614 40 0 CDABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)s1 ZINC000096055568 185076629 /nfs/dbraw/zinc/07/66/29/185076629.db2.gz WMZREQQYNDYQMX-MCIONIFRSA-N 1 0 294.420 1.877 40 0 CDABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N(C)[C@@H]3C)o1 ZINC000096062229 185082855 /nfs/dbraw/zinc/08/28/55/185082855.db2.gz RPYRIVFSYXANBH-CYBMUJFWSA-N 1 0 292.379 1.800 40 0 CDABRO CC(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@H]2C1 ZINC000096081015 185091409 /nfs/dbraw/zinc/09/14/09/185091409.db2.gz LBLBOQRMYULYFE-GASCZTMLSA-N 1 0 273.380 1.741 40 0 CDABRO COc1ccc(CN2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)cc1 ZINC000096108243 185099337 /nfs/dbraw/zinc/09/93/37/185099337.db2.gz VYHWQYDFPZAWQM-WBVHZDCISA-N 1 0 290.407 1.705 40 0 CDABRO O=S1(=O)CC[C@@H](CC[N@H+]2CCCC(F)(F)CC2)C1 ZINC000625769148 342197719 /nfs/dbraw/zinc/19/77/19/342197719.db2.gz CAXXKVKWXBWJKX-LLVKDONJSA-N 1 0 281.368 1.932 40 0 CDABRO O=C(N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1)C1(F)CCC1 ZINC000585108103 342213301 /nfs/dbraw/zinc/21/33/01/342213301.db2.gz BQRMXTUIYZDLFV-QWHCGFSZSA-N 1 0 266.360 1.964 40 0 CDABRO COCC[N@@H+]1CC[C@]12CCCN(C(=O)c1cc(C)on1)C2 ZINC000585101825 342212379 /nfs/dbraw/zinc/21/23/79/342212379.db2.gz HSKWMNGSZZWYMQ-HNNXBMFYSA-N 1 0 293.367 1.310 40 0 CDABRO Cc1cccc(C[N@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c1 ZINC000585103734 342212481 /nfs/dbraw/zinc/21/24/81/342212481.db2.gz FRRIFZSIHZZOKI-KRWDZBQOSA-N 1 0 288.391 1.676 40 0 CDABRO CC1(C)C[C@@H]2CN(C(=O)C3CC[NH2+]CC3)CC[C@@H]2O1 ZINC000585284973 342258662 /nfs/dbraw/zinc/25/86/62/342258662.db2.gz KXSKMJGTICGJEB-OLZOCXBDSA-N 1 0 266.385 1.402 40 0 CDABRO CNC(=[NH2+])c1cc2ccc(NC(C)=O)cc2oc1=O ZINC000255187806 362492413 /nfs/dbraw/zinc/49/24/13/362492413.db2.gz GVPXFYNAAONONW-UHFFFAOYSA-N 1 0 259.265 1.296 40 0 CDABRO CNc1cc(C)[nH+]c([C@H]2CN(c3ncccn3)CCO2)c1 ZINC000257293958 362584509 /nfs/dbraw/zinc/58/45/09/362584509.db2.gz QRVVVIWMNREPHR-CQSZACIVSA-N 1 0 285.351 1.800 40 0 CDABRO COC[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2C)C1 ZINC000079090990 362591292 /nfs/dbraw/zinc/59/12/92/362591292.db2.gz KYAFDYKMTDASOW-OAHLLOKOSA-N 1 0 290.407 1.970 40 0 CDABRO Cc1ccc(CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000107067006 186158978 /nfs/dbraw/zinc/15/89/78/186158978.db2.gz JPNSYEDSTXZGCG-MRXNPFEDSA-N 1 0 287.363 1.510 40 0 CDABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccncc2)N1CC1CC1 ZINC000107800100 186191096 /nfs/dbraw/zinc/19/10/96/186191096.db2.gz KOYGPXBKSNQJAG-LSDHHAIUSA-N 1 0 271.364 1.667 40 0 CDABRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCc2ncnn2C1 ZINC000136400140 363031970 /nfs/dbraw/zinc/03/19/70/363031970.db2.gz SVOCTDXHEGFSLH-JSGCOSHPSA-N 1 0 286.379 1.909 40 0 CDABRO CCCC[NH+]1CCC(O)(c2cnc(OC)nc2OC)CC1 ZINC000012186335 356290539 /nfs/dbraw/zinc/29/05/39/356290539.db2.gz PDCWNPFMFQBMJI-UHFFFAOYSA-N 1 0 295.383 1.577 40 0 CDABRO Cc1nn(C)cc1-c1cc(C(F)(F)F)n(CCC[NH3+])n1 ZINC000012394709 356297160 /nfs/dbraw/zinc/29/71/60/356297160.db2.gz AGMOSJYWQOHDOY-UHFFFAOYSA-N 1 0 287.289 1.960 40 0 CDABRO Cn1cc2c(n1)nc(N1CC[NH2+]CC1)cc2C(F)F ZINC000012398901 356297858 /nfs/dbraw/zinc/29/78/58/356297858.db2.gz VPJHEUBYYONUHZ-UHFFFAOYSA-N 1 0 267.283 1.316 40 0 CDABRO Cc1nc([C@H]([NH3+])Cc2c[nH]c3ccccc23)cc(=O)[nH]1 ZINC000019240939 356477950 /nfs/dbraw/zinc/47/79/50/356477950.db2.gz NVSYSZWRZLIDEA-GFCCVEGCSA-N 1 0 268.320 1.802 40 0 CDABRO CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NCC[NH3+] ZINC000022871581 356622743 /nfs/dbraw/zinc/62/27/43/356622743.db2.gz LZHILMGWYQONIM-AWEZNQCLSA-N 1 0 275.352 1.190 40 0 CDABRO COCCC[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1O ZINC000036739948 356879583 /nfs/dbraw/zinc/87/95/83/356879583.db2.gz KKWHMLIYLZNJMB-HZPDHXFCSA-N 1 0 296.386 1.387 40 0 CDABRO C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000073743271 356933660 /nfs/dbraw/zinc/93/36/60/356933660.db2.gz AVGPDNDDSILWNK-UHFFFAOYSA-N 1 0 291.395 1.600 40 0 CDABRO C[N@H+](CCO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391638 356988093 /nfs/dbraw/zinc/98/80/93/356988093.db2.gz FDZGWLMNRPIKMQ-CQSZACIVSA-N 1 0 278.352 1.322 40 0 CDABRO CCN(C(=O)OCc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000079411537 356993652 /nfs/dbraw/zinc/99/36/52/356993652.db2.gz ZDTYGUASGOWIDV-HNNXBMFYSA-N 1 0 291.395 1.678 40 0 CDABRO CCN(C(=O)OCc1ccccc1)[C@H]1CC[N@H+](CCO)C1 ZINC000079411017 356994021 /nfs/dbraw/zinc/99/40/21/356994021.db2.gz KRNZIZUIDWCTMY-HNNXBMFYSA-N 1 0 292.379 1.712 40 0 CDABRO COC[C@@H]1[NH2+]CCc2cnn(CC3CCOCC3)c21 ZINC000306134417 357252979 /nfs/dbraw/zinc/25/29/79/357252979.db2.gz NMSIVUGHBABGGM-ZDUSSCGKSA-N 1 0 265.357 1.143 40 0 CDABRO OC[C@H]1CC[N@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000072398343 357832963 /nfs/dbraw/zinc/83/29/63/357832963.db2.gz OBMGYHCZXHBQOH-ZDUSSCGKSA-N 1 0 276.384 1.281 40 0 CDABRO [NH3+]C[C@H](O)COCc1cc(F)ccc1Br ZINC000095096232 366431444 /nfs/dbraw/zinc/43/14/44/366431444.db2.gz GWNKWOVTPOXAKF-VIFPVBQESA-N 1 0 278.121 1.424 40 0 CDABRO CC(=O)N(C(C)C)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000100177665 358643001 /nfs/dbraw/zinc/64/30/01/358643001.db2.gz HEENRMXCSKRFHD-ZNMIVQPWSA-N 1 0 297.443 1.654 40 0 CDABRO CO[C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096158777 358710218 /nfs/dbraw/zinc/71/02/18/358710218.db2.gz KPNRLRSBOQETAA-CQSZACIVSA-N 1 0 262.353 1.852 40 0 CDABRO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000096184382 358714125 /nfs/dbraw/zinc/71/41/25/358714125.db2.gz NSGIZQMXZANKPL-HOTGVXAUSA-N 1 0 287.407 1.423 40 0 CDABRO Cc1csc(NC(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)n1 ZINC000096188880 358714803 /nfs/dbraw/zinc/71/48/03/358714803.db2.gz FTYPSSMGLXQJCV-SECBINFHSA-N 1 0 277.353 1.006 40 0 CDABRO Cc1cccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)n1 ZINC000096200172 358717954 /nfs/dbraw/zinc/71/79/54/358717954.db2.gz AWAJNYBJOQQHLT-JKSUJKDBSA-N 1 0 286.379 1.301 40 0 CDABRO CCC[NH+]1CCC2(CC1)C(=O)N(C(C)C)CCN2C ZINC000096230048 358723885 /nfs/dbraw/zinc/72/38/85/358723885.db2.gz MNVVJNOJKCMXIN-UHFFFAOYSA-N 1 0 267.417 1.413 40 0 CDABRO CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cncn1C)C2 ZINC000096229844 358724072 /nfs/dbraw/zinc/72/40/72/358724072.db2.gz KTTHFZACPBRBDO-INIZCTEOSA-N 1 0 290.411 1.787 40 0 CDABRO C[N@@H+]1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253444 358727940 /nfs/dbraw/zinc/72/79/40/358727940.db2.gz FGAASFNDKBLSEO-HZSPNIEDSA-N 1 0 260.337 1.022 40 0 CDABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1 ZINC000096261389 358729461 /nfs/dbraw/zinc/72/94/61/358729461.db2.gz ANFZTWFGJANJQN-HLLBOEOZSA-N 1 0 283.375 1.815 40 0 CDABRO CCC1=N[C@@]2(CC[C@@H]3C[NH2+]C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261641 358729504 /nfs/dbraw/zinc/72/95/04/358729504.db2.gz XPBKIHKSDCTVJS-TYNCELHUSA-N 1 0 261.369 1.415 40 0 CDABRO c1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@H]2CCOC2)nc1 ZINC000107200430 359016993 /nfs/dbraw/zinc/01/69/93/359016993.db2.gz VMJNFHWRTIRIRL-OIISXLGYSA-N 1 0 287.407 1.767 40 0 CDABRO CC[NH+](CC)CC(=O)NC[C@H]1OCCc2ccccc21 ZINC000026955102 360013270 /nfs/dbraw/zinc/01/32/70/360013270.db2.gz YGGLFHOODWPAAV-OAHLLOKOSA-N 1 0 276.380 1.758 40 0 CDABRO C[NH+](C)CCCNC(=O)c1cnc(Br)s1 ZINC000138410493 361168565 /nfs/dbraw/zinc/16/85/65/361168565.db2.gz ISVBVYUWGRYRTA-UHFFFAOYSA-N 1 0 292.202 1.587 40 0 CDABRO O=C(CSC1=[NH+]CCN1)Nc1ccc2c(c1)OCCO2 ZINC000026506172 370688152 /nfs/dbraw/zinc/68/81/52/370688152.db2.gz UHHSPKYEMJYAPR-UHFFFAOYSA-N 1 0 293.348 1.089 40 0 CDABRO CCC(CC)(C[NH3+])C(=O)N1CC[C@]2(CCOC2)C1 ZINC000225480171 189753661 /nfs/dbraw/zinc/75/36/61/189753661.db2.gz GZZXQOLJLCEJKR-ZDUSSCGKSA-N 1 0 254.374 1.391 40 0 CDABRO Cc1cc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)no1 ZINC000331803446 204181859 /nfs/dbraw/zinc/18/18/59/204181859.db2.gz CGEQIGMXPNHCDL-UHFFFAOYSA-N 1 0 289.335 1.970 40 0 CDABRO C[N@H+](CCCCCF)C[C@H]1CCS(=O)(=O)C1 ZINC000225466706 374466484 /nfs/dbraw/zinc/46/64/84/374466484.db2.gz LXBNTXSYHJIFMI-LLVKDONJSA-N 1 0 251.367 1.493 40 0 CDABRO CC[NH2+][C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000019529401 374747576 /nfs/dbraw/zinc/74/75/76/374747576.db2.gz ARGBYODCTOYLID-GFCCVEGCSA-N 1 0 290.319 1.105 40 0 CDABRO Cc1cccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cnn(C)c2)n1 ZINC000306138570 374969703 /nfs/dbraw/zinc/96/97/03/374969703.db2.gz SAYGZLGRSMOSSE-HZPDHXFCSA-N 1 0 297.406 1.977 40 0 CDABRO O=C(NCCc1cccs1)[C@@H]1C[NH2+][C@@H]2CCO[C@@H]2C1 ZINC000306133512 374970861 /nfs/dbraw/zinc/97/08/61/374970861.db2.gz MNNHYQACICEIPT-CYZMBNFOSA-N 1 0 280.393 1.174 40 0 CDABRO O=C(NCc1cccs1)[C@@H]1C[NH2+][C@@H]2CCO[C@@H]2C1 ZINC000306125958 374967833 /nfs/dbraw/zinc/96/78/33/374967833.db2.gz DHACOZDEGGEPPL-MVWJERBFSA-N 1 0 266.366 1.131 40 0 CDABRO CN1C[C@H](COCC2CC2)[C@H]2CC[NH2+]CC[C@H]2C1=O ZINC000306124304 374968518 /nfs/dbraw/zinc/96/85/18/374968518.db2.gz BMHZZARKGJGYOI-MGPQQGTHSA-N 1 0 266.385 1.117 40 0 CDABRO CCc1oc(C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1C ZINC000225570883 375166113 /nfs/dbraw/zinc/16/61/13/375166113.db2.gz OGQNZFRNVKGJOK-NWDGAFQWSA-N 1 0 280.368 1.729 40 0 CDABRO COCC(=O)N1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000132171518 375406246 /nfs/dbraw/zinc/40/62/46/375406246.db2.gz XRBUKSRLEGEFCN-OAHLLOKOSA-N 1 0 290.407 1.656 40 0 CDABRO Cc1cc(NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)no1 ZINC000132506860 375507971 /nfs/dbraw/zinc/50/79/71/375507971.db2.gz RROTZRKVZPSHEU-SNVBAGLBSA-N 1 0 281.356 1.857 40 0 CDABRO c1ccc2oc(-c3cnc(N4CC[NH2+]CC4)nc3)nc2c1 ZINC000003031027 375514022 /nfs/dbraw/zinc/51/40/22/375514022.db2.gz BIWNPRMGOHXNCZ-UHFFFAOYSA-N 1 0 281.319 1.694 40 0 CDABRO Cc1nn(C)cc1C[NH2+]Cc1cnn(CCF)c1 ZINC000256051771 190003968 /nfs/dbraw/zinc/00/39/68/190003968.db2.gz KLIMFABLOPVSQH-UHFFFAOYSA-N 1 0 251.309 1.184 40 0 CDABRO Nc1cc(CC[C@H]2CN(Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257211350 190012070 /nfs/dbraw/zinc/01/20/70/190012070.db2.gz BYOBBFMFWOJQBD-INIZCTEOSA-N 1 0 298.390 1.892 40 0 CDABRO Cc1cc(-c2cncn2C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257214308 190013447 /nfs/dbraw/zinc/01/34/47/190013447.db2.gz CLNAYNFAYVBNDI-LBPRGKRZSA-N 1 0 271.368 1.995 40 0 CDABRO Cc1ccc(C(=O)N2CC[C@@](O)(C[NH+]3CCCC3)C2)s1 ZINC000257229480 190016504 /nfs/dbraw/zinc/01/65/04/190016504.db2.gz FYGWXHYMSAIUEH-OAHLLOKOSA-N 1 0 294.420 1.729 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2c(F)cccc2F)C1 ZINC000257260188 190022593 /nfs/dbraw/zinc/02/25/93/190022593.db2.gz LBRZLGUAXDLOEB-AWEZNQCLSA-N 1 0 284.306 1.103 40 0 CDABRO CN(C)C(=O)[C@H]1CN(C)CC[N@H+](CCc2ccccc2)C1 ZINC000257294920 190028774 /nfs/dbraw/zinc/02/87/74/190028774.db2.gz QWHGARRKAPEOPA-INIZCTEOSA-N 1 0 289.423 1.181 40 0 CDABRO COCCn1cnnc1C1CC[NH+](C(C)C)CC1 ZINC000257309118 190030976 /nfs/dbraw/zinc/03/09/76/190030976.db2.gz TZPXKLMHBCKRTM-UHFFFAOYSA-N 1 0 252.362 1.512 40 0 CDABRO C[NH+](C)[C@@H]1CN(C(=O)c2csc3c2CCCC3)C[C@H]1O ZINC000257319215 190033170 /nfs/dbraw/zinc/03/31/70/190033170.db2.gz VRHTVIOSWWBDRL-CHWSQXEVSA-N 1 0 294.420 1.374 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391234 390421081 /nfs/dbraw/zinc/42/10/81/390421081.db2.gz WHQRBQCOCLVTFU-NWDGAFQWSA-N 1 0 299.415 1.439 40 0 CDABRO C1CC1c1nc2c(c(N3CCC[NH2+]CC3)n1)CCC2 ZINC000096517011 390532008 /nfs/dbraw/zinc/53/20/08/390532008.db2.gz RKHOVCLLDLREME-UHFFFAOYSA-N 1 0 258.369 1.642 40 0 CDABRO c1c(-c2noc(C3CC3)n2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000096516269 390534183 /nfs/dbraw/zinc/53/41/83/390534183.db2.gz MLCDRDJIBDQABQ-SECBINFHSA-N 1 0 260.301 1.130 40 0 CDABRO COc1ccccc1-c1ccc2nnc(C[NH3+])n2n1 ZINC000096516520 390534505 /nfs/dbraw/zinc/53/45/05/390534505.db2.gz MRGLKQOVZVRJQH-UHFFFAOYSA-N 1 0 255.281 1.259 40 0 CDABRO Cc1n[nH]c(C)c1CCCN1CCCC[C@H]1C[NH3+] ZINC000096523569 390536467 /nfs/dbraw/zinc/53/64/67/390536467.db2.gz GIMGLRMYAGDKJT-ZDUSSCGKSA-N 1 0 250.390 1.772 40 0 CDABRO O=CN1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216209 390620648 /nfs/dbraw/zinc/62/06/48/390620648.db2.gz QRAYAMHKBKZHBO-ZDUSSCGKSA-N 1 0 261.325 1.212 40 0 CDABRO c1nc2c(c([C@@H]3CCOC3)n1)CC[N@H+](CC1CC1)CC2 ZINC000096058681 390912355 /nfs/dbraw/zinc/91/23/55/390912355.db2.gz FDAXZDOFNSLEFE-CYBMUJFWSA-N 1 0 273.380 1.791 40 0 CDABRO COc1ccc(Br)cc1[C@@H](CO)[NH2+]CCO ZINC000072417676 391683715 /nfs/dbraw/zinc/68/37/15/391683715.db2.gz QPSUZWQOAJOSRS-SNVBAGLBSA-N 1 0 290.157 1.073 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@H](C[NH3+])[C@H]1c1cccc(F)c1 ZINC000242722797 391944910 /nfs/dbraw/zinc/94/49/10/391944910.db2.gz XVEKETYUKFVLJG-IJLUTSLNSA-N 1 0 257.330 1.301 40 0 CDABRO CNc1ccc(N2CC[NH+](C)CC2)c(C(=O)OC)c1 ZINC000226277889 393192175 /nfs/dbraw/zinc/19/21/75/393192175.db2.gz VHYHKYLZBIRKKX-UHFFFAOYSA-N 1 0 263.341 1.267 40 0 CDABRO Cn1cc(C[N@H+](C)[C@@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257246596 397607349 /nfs/dbraw/zinc/60/73/49/397607349.db2.gz IUVGRWAQAXDCHE-OAHLLOKOSA-N 1 0 285.395 1.916 40 0 CDABRO [NH3+]C1(C(=O)N2CCc3cc(Cl)ccc3C2)CCOCC1 ZINC000335192427 150390501 /nfs/dbraw/zinc/39/05/01/150390501.db2.gz HZMDWAZUOQJOOH-UHFFFAOYSA-N 1 0 294.782 1.733 40 0 CDABRO C[C@@H](Sc1ccccc1)C(=O)NCC[NH+](C)C ZINC000013674668 170576018 /nfs/dbraw/zinc/57/60/18/170576018.db2.gz SWLLBUNTFHOBPV-LLVKDONJSA-N 1 0 252.383 1.845 40 0 CDABRO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(F)c2)C[C@H](C)O1 ZINC000022168450 171366906 /nfs/dbraw/zinc/36/69/06/171366906.db2.gz KOSVWTNJZPXZKA-WDMOLILDSA-N 1 0 252.333 1.935 40 0 CDABRO CN(C)S(=O)(=O)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000044029908 175138759 /nfs/dbraw/zinc/13/87/59/175138759.db2.gz ADEWUCLOOJAHBD-LBPRGKRZSA-N 1 0 284.381 1.068 40 0 CDABRO COC[C@H]1CN(C(=O)Cc2ccccc2)CC[N@H+](C)C1 ZINC000072343695 176372192 /nfs/dbraw/zinc/37/21/92/176372192.db2.gz NHAOVMQJKVIVBN-OAHLLOKOSA-N 1 0 276.380 1.266 40 0 CDABRO CNC(=O)[C@@]1(C)CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000072346330 176372924 /nfs/dbraw/zinc/37/29/24/176372924.db2.gz YAHYBSMPIJHZQM-AWEZNQCLSA-N 1 0 264.373 1.077 40 0 CDABRO CNc1cc([C@@H]2CCCC[N@@H+]2CCO)nc(C)n1 ZINC000072359939 176376814 /nfs/dbraw/zinc/37/68/14/176376814.db2.gz LKYOUQSGSKMDGD-LBPRGKRZSA-N 1 0 250.346 1.346 40 0 CDABRO Cc1cc(C(=O)NC(C)C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072365637 176381131 /nfs/dbraw/zinc/38/11/31/176381131.db2.gz JKMKQTSXQCYJEQ-GFCCVEGCSA-N 1 0 276.384 1.732 40 0 CDABRO CC(C)(C)OC(=O)N(C[C@@H]1CCC[N@@H+]1CCO)C1CC1 ZINC000079408179 277178787 /nfs/dbraw/zinc/17/87/87/277178787.db2.gz ZOGZLUGGTWQZEC-ZDUSSCGKSA-N 1 0 284.400 1.843 40 0 CDABRO COP(=O)(OC)[C@@]1(O)C[C@H](C)[N@H+](C)C[C@H]1C ZINC000005358890 293376626 /nfs/dbraw/zinc/37/66/26/293376626.db2.gz ANRNCSUBAGMGGV-UTLUCORTSA-N 1 0 251.263 1.521 40 0 CDABRO c1cc(CN2CC[NH2+][C@@H]3CCC[C@H]32)cc2c1OCO2 ZINC000218841358 333136922 /nfs/dbraw/zinc/13/69/22/333136922.db2.gz FRIDUMUUNIPKER-CHWSQXEVSA-N 1 0 260.337 1.742 40 0 CDABRO c1cncc(COC[C@@H]2CCC[C@]23C[NH2+]CCO3)c1 ZINC000096160943 518203846 /nfs/dbraw/zinc/20/38/46/518203846.db2.gz DTDNPXVGIAMAKW-GJZGRUSLSA-N 1 0 262.353 1.757 40 0 CDABRO COc1cc2c(cc1OC)CN([C@H]1CC[NH2+]C1)CC2 ZINC000051782950 523032155 /nfs/dbraw/zinc/03/21/55/523032155.db2.gz KGKXXXAZABPAGU-ZDUSSCGKSA-N 1 0 262.353 1.424 40 0 CDABRO Cc1cccc(-n2ncc3c2nc[nH+]c3NN)c1C ZINC000062203237 524148185 /nfs/dbraw/zinc/14/81/85/524148185.db2.gz TVYGYEJCZLQITN-UHFFFAOYSA-N 1 0 254.297 1.718 40 0 CDABRO CCc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@]2(C[NH3+])COC)cc1 ZINC000218451987 536194953 /nfs/dbraw/zinc/19/49/53/536194953.db2.gz FOVIHOKEFKTLNW-ZNMIVQPWSA-N 1 0 297.420 1.351 40 0 CDABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072793587 567903204 /nfs/dbraw/zinc/90/32/04/567903204.db2.gz BHQNAKIHLCMYIZ-LLVKDONJSA-N 1 0 261.325 1.066 40 0 CDABRO C[NH+]1CCC(CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000074920919 567903521 /nfs/dbraw/zinc/90/35/21/567903521.db2.gz OZFWTWBAIMYQSE-UHFFFAOYSA-N 1 0 290.363 1.763 40 0 CDABRO C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040051 185069198 /nfs/dbraw/zinc/06/91/98/185069198.db2.gz FWARSUXQPVHYOF-LSDHHAIUSA-N 1 0 262.353 1.961 40 0 CDABRO COCC[N@@H+]1CC[C@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096046297 185071792 /nfs/dbraw/zinc/07/17/92/185071792.db2.gz HJKBGYFPFYHPCC-RWMBFGLXSA-N 1 0 293.367 1.745 40 0 CDABRO C[NH+](C)C[C@H]1CC[C@]2(COCCN(Cc3ccco3)C2)O1 ZINC000096052272 185074922 /nfs/dbraw/zinc/07/49/22/185074922.db2.gz GDBFNEDONSWOJO-CVEARBPZSA-N 1 0 294.395 1.591 40 0 CDABRO c1cc(C[NH2+]C[C@H]2Cn3nncc3CO2)cs1 ZINC000096060995 185083045 /nfs/dbraw/zinc/08/30/45/185083045.db2.gz ZSMIHRBLEVUVEA-NSHDSACASA-N 1 0 250.327 1.028 40 0 CDABRO C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096076206 185089121 /nfs/dbraw/zinc/08/91/21/185089121.db2.gz SZWDVKXCGGBVMW-HNNXBMFYSA-N 1 0 294.420 1.933 40 0 CDABRO O=C1CCC[C@]2(CCC[N@H+](Cc3ccncc3)C2)N1 ZINC000096076995 185089539 /nfs/dbraw/zinc/08/95/39/185089539.db2.gz IJBCBPKCTVCSFV-OAHLLOKOSA-N 1 0 259.353 1.716 40 0 CDABRO COCC[N@@H+]1CC[C@@]12CCN(C(=O)C1CCCC1)C2 ZINC000096075961 185089588 /nfs/dbraw/zinc/08/95/88/185089588.db2.gz XBFRTFIFUGDROR-OAHLLOKOSA-N 1 0 266.385 1.500 40 0 CDABRO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)ccn1 ZINC000096108717 185099291 /nfs/dbraw/zinc/09/92/91/185099291.db2.gz CQHQEBFLUUGZQO-IAGOWNOFSA-N 1 0 288.391 1.957 40 0 CDABRO c1[nH]nc2c1C[C@H]([NH2+]C1CCC3(CC1)OCCO3)CC2 ZINC000156736373 342162847 /nfs/dbraw/zinc/16/28/47/342162847.db2.gz LTXONCQZLNJYAF-CYBMUJFWSA-N 1 0 277.368 1.542 40 0 CDABRO C[NH+]1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000585105213 342212958 /nfs/dbraw/zinc/21/29/58/342212958.db2.gz QIMLVIFWRMRSFJ-LBPRGKRZSA-N 1 0 250.367 1.788 40 0 CDABRO O=C(c1ccnc(F)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000585108128 342213232 /nfs/dbraw/zinc/21/32/32/342213232.db2.gz SSFLZLGIZSXGPB-UONOGXRCSA-N 1 0 289.354 1.920 40 0 CDABRO OCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585289324 342258774 /nfs/dbraw/zinc/25/87/74/342258774.db2.gz PXMKEMNBMHGVAD-BFHYXJOUSA-N 1 0 285.771 1.583 40 0 CDABRO CC[NH+](CC)C[C@H]1CN(C(C)C)Cc2cncn21 ZINC000248179017 362157147 /nfs/dbraw/zinc/15/71/47/362157147.db2.gz XKQXLCHNYIPLEY-AWEZNQCLSA-N 1 0 250.390 1.990 40 0 CDABRO Clc1cncc(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000061858101 362326434 /nfs/dbraw/zinc/32/64/34/362326434.db2.gz GGWKAJOEVLPASQ-JTQLQIEISA-N 1 0 252.749 1.805 40 0 CDABRO Cn1cncc1C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000257248446 362581368 /nfs/dbraw/zinc/58/13/68/362581368.db2.gz JDSKVTRFBGUJCU-UHFFFAOYSA-N 1 0 279.384 1.141 40 0 CDABRO O=C1c2cccn2[C@@H]2C[NH2+]C[C@@H]2N1Cc1ccccn1 ZINC000306135341 201842791 /nfs/dbraw/zinc/84/27/91/201842791.db2.gz ONZVJIYBGKVGHK-KGLIPLIRSA-N 1 0 268.320 1.052 40 0 CDABRO CCN(CC)C(=O)[C@H]1CCCN1[C@H](C[NH3+])C(F)(F)F ZINC000110768486 350312008 /nfs/dbraw/zinc/31/20/08/350312008.db2.gz AKCHINCQNYUUKT-NXEZZACHSA-N 1 0 281.322 1.209 40 0 CDABRO O=C(NC1CC1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccoc2)C1 ZINC000107710924 186188357 /nfs/dbraw/zinc/18/83/57/186188357.db2.gz JBRRNMVOHULBSQ-BPLDGKMQSA-N 1 0 290.363 1.538 40 0 CDABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1cncnc1)C2 ZINC000108526514 186220744 /nfs/dbraw/zinc/22/07/44/186220744.db2.gz RCEBUECSVSYGOM-UHFFFAOYSA-N 1 0 260.341 1.033 40 0 CDABRO C[NH+](C)[C@H]1CCOC2(CCN(C(=O)c3ccno3)CC2)C1 ZINC000108535451 186222418 /nfs/dbraw/zinc/22/24/18/186222418.db2.gz RQCHHEGTUVRFCI-LBPRGKRZSA-N 1 0 293.367 1.390 40 0 CDABRO CC[C@H](O)[C@](CC[NH+](C)C)(C(=O)N(C)C)c1ccccc1 ZINC000001717954 355949703 /nfs/dbraw/zinc/94/97/03/355949703.db2.gz WYRJVVKSPJCNHZ-DOTOQJQBSA-N 1 0 292.423 1.735 40 0 CDABRO COc1ccc(C(=O)C(CN(C)C)C[NH+](C)C)cc1 ZINC000031416401 356765266 /nfs/dbraw/zinc/76/52/66/356765266.db2.gz CKCSYKNKPJUIIK-UHFFFAOYSA-N 1 0 264.369 1.617 40 0 CDABRO OCC[NH2+]Cc1ccccc1I ZINC000034752524 356844771 /nfs/dbraw/zinc/84/47/71/356844771.db2.gz HTEMRRFXNWUUFU-UHFFFAOYSA-N 1 0 277.105 1.373 40 0 CDABRO CCN(C[C@H]1CCC[N@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079408022 356990871 /nfs/dbraw/zinc/99/08/71/356990871.db2.gz PSHSWLUKFFJWGA-ZDUSSCGKSA-N 1 0 286.416 1.948 40 0 CDABRO C[C@H]([NH3+])C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000079409504 356992025 /nfs/dbraw/zinc/99/20/25/356992025.db2.gz UWZKUJZFNNRYNC-QWRGUYRKSA-N 1 0 285.388 1.097 40 0 CDABRO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(CCO)C1 ZINC000079414190 356993403 /nfs/dbraw/zinc/99/34/03/356993403.db2.gz BJKGRXLGDNZUTM-INIZCTEOSA-N 1 0 262.397 1.823 40 0 CDABRO [NH3+]CCN1CCC[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000079411384 356993971 /nfs/dbraw/zinc/99/39/71/356993971.db2.gz QZZKFNUSURLXKY-CQSZACIVSA-N 1 0 277.368 1.336 40 0 CDABRO C[C@H](C[NH2+]CCCn1ccnc1)C(=O)OC(C)(C)C ZINC000047219105 357154062 /nfs/dbraw/zinc/15/40/62/357154062.db2.gz QAJNJEGLSZLGFZ-GFCCVEGCSA-N 1 0 267.373 1.841 40 0 CDABRO CC[C@H](OC[C@H](O)C[NH2+]C(C)(C)CO)c1ccccc1 ZINC000002694707 169820613 /nfs/dbraw/zinc/82/06/13/169820613.db2.gz FCTIXENUHXHGQX-CABCVRRESA-N 1 0 281.396 1.876 40 0 CDABRO O=C(CC1CC1)N1CC2(C1)C[C@@H](CO)C[N@@H+]2CC1CC1 ZINC000585093863 358098885 /nfs/dbraw/zinc/09/88/85/358098885.db2.gz LIEBSLMFXPAFBZ-CQSZACIVSA-N 1 0 278.396 1.092 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100177872 358643385 /nfs/dbraw/zinc/64/33/85/358643385.db2.gz YVAGOYXVYDMXGK-PHIMTYICSA-N 1 0 285.388 1.239 40 0 CDABRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](C[NH+](C)C)OC[C@@H]3C2)no1 ZINC000096185255 358713981 /nfs/dbraw/zinc/71/39/81/358713981.db2.gz GGLSNTDGWBOJHA-SGMGOOAPSA-N 1 0 293.367 1.022 40 0 CDABRO COc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]32)cc1 ZINC000096186178 358714116 /nfs/dbraw/zinc/71/41/16/358714116.db2.gz HZHCBXPDCQUAHW-KBPBESRZSA-N 1 0 260.337 1.548 40 0 CDABRO COC[C@@H]1Cn2ncnc2C[N@H+](CC2CCC2)C1 ZINC000096189202 358715036 /nfs/dbraw/zinc/71/50/36/358715036.db2.gz RTFAVJAAOIAEMF-LBPRGKRZSA-N 1 0 250.346 1.156 40 0 CDABRO Cc1nnn2c1COC[C@@H](C[NH2+]Cc1ccsc1)C2 ZINC000096199307 358717551 /nfs/dbraw/zinc/71/75/51/358717551.db2.gz YLZHLCKTTWEUJA-LBPRGKRZSA-N 1 0 278.381 1.584 40 0 CDABRO Cc1cnc(N2CC3(C2)CC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096202514 358718801 /nfs/dbraw/zinc/71/88/01/358718801.db2.gz VPCMCGIATLYJQL-UHFFFAOYSA-N 1 0 295.390 1.892 40 0 CDABRO CC(C)[N@@H+]1C[C@@H]2C[C@H](CC(=O)N3CCCCO3)O[C@@H]2C1 ZINC000096219657 358722314 /nfs/dbraw/zinc/72/23/14/358722314.db2.gz MJSRLBXJNKYAIU-BFHYXJOUSA-N 1 0 282.384 1.428 40 0 CDABRO Cc1ncnc2c1CC[N@H+](Cc1nccn1C)CC2 ZINC000096254945 358728092 /nfs/dbraw/zinc/72/80/92/358728092.db2.gz UWLYSJSBKULHGD-UHFFFAOYSA-N 1 0 257.341 1.119 40 0 CDABRO C[NH+]1CCN(c2ccc(N)cc2C(=O)N2CCCC2)CC1 ZINC000225486981 359594185 /nfs/dbraw/zinc/59/41/85/359594185.db2.gz MMEPXAJJCZEXNO-UHFFFAOYSA-N 1 0 288.395 1.257 40 0 CDABRO [NH3+]C[C@@H]1CC(C(=O)Nc2ccc(C(F)(F)F)cc2)=NO1 ZINC000222552077 283454941 /nfs/dbraw/zinc/45/49/41/283454941.db2.gz RWNSEUYTLYURCU-VIFPVBQESA-N 1 0 287.241 1.748 40 0 CDABRO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@H+](CC2CC2)C1 ZINC000015674521 360759027 /nfs/dbraw/zinc/75/90/27/360759027.db2.gz XBKVGSUPBBYILX-OLZOCXBDSA-N 1 0 286.335 1.649 40 0 biogenic,in-vitro CDABRO Cn1nccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000063506183 364672373 /nfs/dbraw/zinc/67/23/73/364672373.db2.gz OUISFDNPBZRHQU-UHFFFAOYSA-N 1 0 250.346 1.024 40 0 CDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079409669 284194033 /nfs/dbraw/zinc/19/40/33/284194033.db2.gz SSCBCHWPTFFJMC-QWRGUYRKSA-N 1 0 285.388 1.192 40 0 CDABRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(Cl)s1 ZINC000333186059 205100718 /nfs/dbraw/zinc/10/07/18/205100718.db2.gz OARFTBQIJLPZSD-MRVPVSSYSA-N 1 0 274.773 1.510 40 0 CDABRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000130917788 374229371 /nfs/dbraw/zinc/22/93/71/374229371.db2.gz YEHFJTNBLOHEQK-CABCVRRESA-N 1 0 288.391 1.798 40 0 CDABRO Cc1cccc(OC[C@H]2C[C@@H]([NH2+]CC(C)C)[C@H](O)[C@@H]2O)n1 ZINC000225502311 374585136 /nfs/dbraw/zinc/58/51/36/374585136.db2.gz MBIWNDYGDHJVNA-XOUADPBQSA-N 1 0 294.395 1.125 40 0 biogenic,in-vitro CDABRO CCOC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000079355225 374796081 /nfs/dbraw/zinc/79/60/81/374796081.db2.gz WBIUPXVTPZEVTL-HIFRSBDPSA-N 1 0 265.353 1.537 40 0 CDABRO O=C(C1CC[NH+](C[C@H]2CO2)CC1)N1CCCCC1 ZINC000095097807 374871185 /nfs/dbraw/zinc/87/11/85/374871185.db2.gz XVLCKLGCKPVKHP-ZDUSSCGKSA-N 1 0 252.358 1.110 40 0 CDABRO Cc1c(C[NH2+]Cc2cc(C(C)C)nn2C)cnn1C ZINC000256050626 190003073 /nfs/dbraw/zinc/00/30/73/190003073.db2.gz FVZYAEPQUSKYCG-UHFFFAOYSA-N 1 0 261.373 1.875 40 0 CDABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCC[NH2+]2)cc1 ZINC000257236581 190018023 /nfs/dbraw/zinc/01/80/23/190018023.db2.gz HCVPIGAWPDLYDM-ZDUSSCGKSA-N 1 0 297.362 1.639 40 0 CDABRO O[C@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@@]12CCCO2 ZINC000257241188 190018762 /nfs/dbraw/zinc/01/87/62/190018762.db2.gz HWZUKVXQECKXNN-HOTGVXAUSA-N 1 0 295.354 1.820 40 0 CDABRO O=C1CCC[C@]2(C[N@H+](CCO)C[C@H]2c2ccccc2)N1 ZINC000257249397 190020254 /nfs/dbraw/zinc/02/02/54/190020254.db2.gz JIDGPSFKKXHLJB-GOEBONIOSA-N 1 0 274.364 1.117 40 0 CDABRO CCN(CC)C(=O)c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257263383 190022737 /nfs/dbraw/zinc/02/27/37/190022737.db2.gz LPQJUEHCYBWDTB-LBPRGKRZSA-N 1 0 276.384 1.768 40 0 CDABRO C[C@]1(C(=O)NCc2ccccc2Cl)C[NH2+]CCO1 ZINC000257286383 190026952 /nfs/dbraw/zinc/02/69/52/190026952.db2.gz PLJYKLHEWPOUAA-CYBMUJFWSA-N 1 0 268.744 1.335 40 0 CDABRO Cc1ncccc1C(=O)NCc1c[nH]c([C@@H]2CC[N@@H+](C)C2)n1 ZINC000257295579 190028477 /nfs/dbraw/zinc/02/84/77/190028477.db2.gz QYZQBTNOKFNFQH-GFCCVEGCSA-N 1 0 299.378 1.462 40 0 CDABRO Cc1ccc(C2(O)CC[NH+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000257300654 190029037 /nfs/dbraw/zinc/02/90/37/190029037.db2.gz RVEVTJMCJYCIJM-GJZGRUSLSA-N 1 0 277.364 1.038 40 0 CDABRO Cc1c[nH]c(-c2cnc(CC3CC[NH2+]CC3)cn2)n1 ZINC000257298504 190029997 /nfs/dbraw/zinc/02/99/97/190029997.db2.gz RLZNVIBKXKOVGE-UHFFFAOYSA-N 1 0 257.341 1.717 40 0 CDABRO Cc1nn(C)c(C)c1-c1cnc(C[C@H]2CC[NH2+]C2)cn1 ZINC000257329504 190034890 /nfs/dbraw/zinc/03/48/90/190034890.db2.gz XKGDWSCMTXZKGS-GFCCVEGCSA-N 1 0 271.368 1.646 40 0 CDABRO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cncn3C)C2)n1 ZINC000257343799 190037827 /nfs/dbraw/zinc/03/78/27/190037827.db2.gz ZULXUHGEJHUSTJ-GFCCVEGCSA-N 1 0 259.357 1.452 40 0 CDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccnc1OC ZINC000039335854 377465523 /nfs/dbraw/zinc/46/55/23/377465523.db2.gz HKJIKRVMMOKAKM-NSHDSACASA-N 1 0 263.341 1.304 40 0 CDABRO [NH3+]C1(CNC(=O)N2CCOCC2)CCCCCC1 ZINC000334937092 377708598 /nfs/dbraw/zinc/70/85/98/377708598.db2.gz SXDZAWAQYRACJP-UHFFFAOYSA-N 1 0 255.362 1.080 40 0 CDABRO Cc1nn(C)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000002761689 378053404 /nfs/dbraw/zinc/05/34/04/378053404.db2.gz IZVRCMVOADLQRE-JTQLQIEISA-N 1 0 282.775 1.302 40 0 CDABRO O=C1CCC2(CC[NH+](C[C@@H]3CCOC3)CC2)N1CC1CC1 ZINC000096228109 256828839 /nfs/dbraw/zinc/82/88/39/256828839.db2.gz ADGXDUCHNYZXIB-HNNXBMFYSA-N 1 0 292.423 1.890 40 0 CDABRO CC1=CC(C)=[NH+]c2ccc(S(N)(=O)=O)cc2N1 ZINC000005607779 390163516 /nfs/dbraw/zinc/16/35/16/390163516.db2.gz JWJLQOWPOJIXRM-UHFFFAOYSA-N 1 0 251.311 1.756 40 0 CDABRO [NH3+]CCn1ccn2nc(-c3ccccc3)cc2c1=O ZINC000096517331 390533019 /nfs/dbraw/zinc/53/30/19/390533019.db2.gz KXMJLKWIWJEEGT-UHFFFAOYSA-N 1 0 254.293 1.122 40 0 CDABRO CCS(=O)(=O)C1(c2nc(C[NH3+])cs2)CCC1 ZINC000096531978 390541677 /nfs/dbraw/zinc/54/16/77/390541677.db2.gz LBDUBFVZBHAUIZ-UHFFFAOYSA-N 1 0 260.384 1.416 40 0 CDABRO CCOC(=O)[C@H](CN)[C@@](C)(CC)[NH+]1CCCCC1 ZINC000072210439 390618533 /nfs/dbraw/zinc/61/85/33/390618533.db2.gz UNZPUEORNMWUBR-GXTWGEPZSA-N 1 0 256.390 1.779 40 0 CDABRO C[C@@H]([NH3+])[C@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000072208294 390616585 /nfs/dbraw/zinc/61/65/85/390616585.db2.gz UXYKRUPUCPDXKJ-OCCSQVGLSA-N 1 0 262.353 1.366 40 0 CDABRO c1c[nH]c(C[NH2+]CCCn2cnc3ccccc32)n1 ZINC000049714681 390803706 /nfs/dbraw/zinc/80/37/06/390803706.db2.gz ZGBCCIWEWFCKDC-UHFFFAOYSA-N 1 0 255.325 1.939 40 0 CDABRO C[NH+](C)CC(=O)N1CCC2(CNc3ccccc32)CC1 ZINC000096157313 390913317 /nfs/dbraw/zinc/91/33/17/390913317.db2.gz GFLPNWOHSPOJPX-UHFFFAOYSA-N 1 0 273.380 1.534 40 0 CDABRO CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](CC[NH3+])C1 ZINC000306124641 391853069 /nfs/dbraw/zinc/85/30/69/391853069.db2.gz BVRPPUHRPACTET-NSHDSACASA-N 1 0 280.372 1.599 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@H]1C[NH3+] ZINC000218508464 130769584 /nfs/dbraw/zinc/76/95/84/130769584.db2.gz DGAWDQKYHGEZIB-AGIUHOORSA-N 1 0 253.367 1.470 40 0 CDABRO COc1ccc(-c2ccc(=O)n(C[C@@H](C)[NH3+])n2)cc1 ZINC000208093307 392701915 /nfs/dbraw/zinc/70/19/15/392701915.db2.gz FFPMKYFPUBMZJR-SNVBAGLBSA-N 1 0 259.309 1.266 40 0 CDABRO CC(C)NC(=O)N1CCC(C[N@@H+]2CCN(C)C[C@H]2C)CC1 ZINC000085468292 397610995 /nfs/dbraw/zinc/61/09/95/397610995.db2.gz UWKAPPSLLUOJAH-CQSZACIVSA-N 1 0 296.459 1.452 40 0 CDABRO Cc1ccc(C[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000035223112 172067272 /nfs/dbraw/zinc/06/72/72/172067272.db2.gz KEZBPYQRTSLLLG-ZDUSSCGKSA-N 1 0 253.367 1.662 40 0 CDABRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(N)c2)C1 ZINC000040620339 174354033 /nfs/dbraw/zinc/35/40/33/174354033.db2.gz PLKMLVBMVNQUJK-GFCCVEGCSA-N 1 0 261.369 1.729 40 0 CDABRO O=S(=O)(NCC[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000054267000 175556680 /nfs/dbraw/zinc/55/66/80/175556680.db2.gz LFURPAVBZRNYDH-UHFFFAOYSA-N 1 0 274.773 1.370 40 0 CDABRO NC(=O)c1cccc(-c2cnc(C[C@@H]3CCC[NH2+]C3)cn2)c1 ZINC000072365529 176380734 /nfs/dbraw/zinc/38/07/34/176380734.db2.gz NFTCYTISTXUWQB-LBPRGKRZSA-N 1 0 296.374 1.785 40 0 CDABRO COc1ccc(C[N@H+]2CCOC[C@H](OC)C2)cc1 ZINC000077265941 177246764 /nfs/dbraw/zinc/24/67/64/177246764.db2.gz WOZSBIIHFJILRI-CQSZACIVSA-N 1 0 251.326 1.542 40 0 biogenic,in-vitro CDABRO C[C@H]([NH3+])C(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391236 177475405 /nfs/dbraw/zinc/47/54/05/177475405.db2.gz JOOZWSRVZSVJQS-NSHDSACASA-N 1 0 299.415 1.439 40 0 CDABRO CC(C)(C)n1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)n1 ZINC000655462985 424343618 /nfs/dbraw/zinc/34/36/18/424343618.db2.gz AUHLMTOEAKGWCA-LBPRGKRZSA-N 1 0 276.384 1.510 40 0 CDABRO C(OC[C@]12COC[C@H]1C[N@@H+](C1CCC1)C2)C1CCOCC1 ZINC000096108796 275396211 /nfs/dbraw/zinc/39/62/11/275396211.db2.gz XYKDSYQSTDCZLB-NVXWUHKLSA-N 1 0 295.423 1.931 40 0 CDABRO CN1CCN(C(=O)CC[N@H+](C2CC2)C2CCCC2)CC1 ZINC000330033218 277088909 /nfs/dbraw/zinc/08/89/09/277088909.db2.gz XOCAXIQLCWVNRV-UHFFFAOYSA-N 1 0 279.428 1.558 40 0 CDABRO COC[C@H]1C[N@H+](CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059823 277267281 /nfs/dbraw/zinc/26/72/81/277267281.db2.gz CYGQKBPYFZPKBT-CQSZACIVSA-N 1 0 279.384 1.392 40 0 CDABRO CO[C@H]1C[N@@H+](C2CCN(C(C)=O)CC2)CC[C@@]12CCCO2 ZINC000257312190 277343826 /nfs/dbraw/zinc/34/38/26/277343826.db2.gz UMUKEEFRZZLIGM-HOTGVXAUSA-N 1 0 296.411 1.267 40 0 CDABRO Cc1cccc(C(C)C)c1N1CC[C@@H](C[NH3+])S1(=O)=O ZINC000222541051 281197588 /nfs/dbraw/zinc/19/75/88/281197588.db2.gz IFXHXEJYWMKXHF-LBPRGKRZSA-N 1 0 282.409 1.986 40 0 CDABRO CN1CC[NH+]([C@H]2c3ccccc3OC(C)(C)[C@@H]2O)CC1 ZINC000019366515 290056598 /nfs/dbraw/zinc/05/65/98/290056598.db2.gz BKTHJGILZXJQLV-LSDHHAIUSA-N 1 0 276.380 1.507 40 0 CDABRO COc1cc(N[C@H](C)C[C@H]2COCC[NH2+]2)cc(OC)c1 ZINC000133343744 846910994 /nfs/dbraw/zinc/91/09/94/846910994.db2.gz YDPUHAPWLCWAIY-YPMHNXCESA-N 1 0 280.368 1.883 40 0 CDABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC001548448163 967496760 /nfs/dbraw/zinc/49/67/60/967496760.db2.gz PCSWXJPMFVDXGM-GHMZBOCLSA-N 1 0 290.697 1.335 40 0 CDABRO C[C@@]1(C(=O)NCc2cscc2Cl)C[NH2+]CCO1 ZINC001548449093 967500262 /nfs/dbraw/zinc/50/02/62/967500262.db2.gz WGWHXUJKXWMVSD-NSHDSACASA-N 1 0 274.773 1.396 40 0 CDABRO Cc1cccc2nc(N3CC[C@](O)(C[NH+](C)C)C3)oc21 ZINC001548452855 967502314 /nfs/dbraw/zinc/50/23/14/967502314.db2.gz AFBOGPXCKRLQPS-HNNXBMFYSA-N 1 0 275.352 1.639 40 0 CDABRO O=C(C1CCC1)N1CC2(C1)CC[C@H](C[NH+]1CCCC1)CO2 ZINC000575405173 342451891 /nfs/dbraw/zinc/45/18/91/342451891.db2.gz WRBADNOTGRXAEK-CQSZACIVSA-N 1 0 292.423 1.890 40 0 CDABRO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000002575113 342001983 /nfs/dbraw/zinc/00/19/83/342001983.db2.gz QYLKTBGZGZGWHP-LLVKDONJSA-N 1 0 250.254 1.390 40 0 CDABRO Cn1cc(N2CC[C@]3(CCC[N@H+](CC4CC4)C3)C2=O)cn1 ZINC000096048784 185073144 /nfs/dbraw/zinc/07/31/44/185073144.db2.gz BIFFUCWEONSNEB-INIZCTEOSA-N 1 0 288.395 1.649 40 0 CDABRO OCC[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 ZINC000096078140 185088925 /nfs/dbraw/zinc/08/89/25/185088925.db2.gz PSOFPTOYGIEJFX-AWEZNQCLSA-N 1 0 297.349 1.611 40 0 CDABRO Cn1cc(CN2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cn1 ZINC000096110642 185100533 /nfs/dbraw/zinc/10/05/33/185100533.db2.gz VYDAPYFRJOMATF-HZPDHXFCSA-N 1 0 297.406 1.379 40 0 CDABRO CO[C@@H]1C[N@H+](CCC(N)=O)CC[C@@H]1Cc1ccccc1C ZINC000585276580 342256329 /nfs/dbraw/zinc/25/63/29/342256329.db2.gz BLXWANLWUAYTJQ-HZPDHXFCSA-N 1 0 290.407 1.750 40 0 CDABRO CS[C@@H](C)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000136171722 362311416 /nfs/dbraw/zinc/31/14/16/362311416.db2.gz HFHRAPKSACQLGJ-YEJSDXFRSA-N 1 0 256.415 1.775 40 0 CDABRO c1cc2n(n1)C[C@@H](COCC1CC1)C[N@H+]([C@H]1CCOC1)C2 ZINC000253596989 362441537 /nfs/dbraw/zinc/44/15/37/362441537.db2.gz YVKSCWZGGJNTKH-HOCLYGCPSA-N 1 0 291.395 1.530 40 0 CDABRO O=C(C1CC1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000052178357 362479453 /nfs/dbraw/zinc/47/94/53/362479453.db2.gz BWPGLXLCOSLBIE-UHFFFAOYSA-N 1 0 266.385 1.404 40 0 CDABRO CN(C)c1ncc(-c2cncnc2)c(C2CC[NH2+]CC2)n1 ZINC000257197470 362576831 /nfs/dbraw/zinc/57/68/31/362576831.db2.gz AJHLLQWGEHUTEN-UHFFFAOYSA-N 1 0 284.367 1.467 40 0 CDABRO CC(C)NC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccoc2)C1 ZINC000107715217 186188166 /nfs/dbraw/zinc/18/81/66/186188166.db2.gz SLXOVHLEIWQMHG-RRFJBIMHSA-N 1 0 292.379 1.784 40 0 CDABRO CC1(C)C[C@@H]([NH2+]CC(=O)NCc2cccnc2)C(C)(C)O1 ZINC000132555226 187635059 /nfs/dbraw/zinc/63/50/59/187635059.db2.gz LVCRNSCYCTUICH-CYBMUJFWSA-N 1 0 291.395 1.634 40 0 CDABRO CC(C)c1nccn1C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000195545749 363453516 /nfs/dbraw/zinc/45/35/16/363453516.db2.gz OQPUCFZDIPNVQJ-MELADBBJSA-N 1 0 281.400 1.477 40 0 CDABRO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)CC2 ZINC000019286449 356479325 /nfs/dbraw/zinc/47/93/25/356479325.db2.gz UCNWTIZKWXKZCU-UHFFFAOYSA-N 1 0 287.338 1.818 40 0 CDABRO CCN(CC)C(=O)c1cnc([C@H]2CCC[NH2+]C2)nc1C ZINC000019766845 356501296 /nfs/dbraw/zinc/50/12/96/356501296.db2.gz MXSVQQXFJBMXPE-LBPRGKRZSA-N 1 0 276.384 1.734 40 0 CDABRO CN(C[C@H]1CCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408360 356991990 /nfs/dbraw/zinc/99/19/90/356991990.db2.gz GSVBHMSPESVQRN-LLVKDONJSA-N 1 0 257.378 1.134 40 0 CDABRO C[C@H]([NH3+])C(=O)N(C)Cc1ccc(Br)nc1 ZINC000079421586 356996163 /nfs/dbraw/zinc/99/61/63/356996163.db2.gz BMTUYKQAYRKUJC-ZETCQYMHSA-N 1 0 272.146 1.150 40 0 CDABRO COc1ccc(C2(O)CC[NH+](C)CC2)cc1OC ZINC000055192389 357330290 /nfs/dbraw/zinc/33/02/90/357330290.db2.gz UARHBJKECMAFMU-UHFFFAOYSA-N 1 0 251.326 1.617 40 0 CDABRO c1nc(C[C@H]2CCC[NH2+]CC2)cc(N2CCOCC2)n1 ZINC000072386606 357832038 /nfs/dbraw/zinc/83/20/38/357832038.db2.gz WDEWVKWFMLEANU-ZDUSSCGKSA-N 1 0 276.384 1.245 40 0 CDABRO Cc1ccccc1C(=O)N1CC2(C1)C[C@@H](CO)C[N@H+]2C ZINC000585093988 358099923 /nfs/dbraw/zinc/09/99/23/358099923.db2.gz WONQYENQIOPEKO-CYBMUJFWSA-N 1 0 274.364 1.134 40 0 CDABRO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000199768883 358093161 /nfs/dbraw/zinc/09/31/61/358093161.db2.gz CPCCORHENBIWIA-HTQZYQBOSA-N 1 0 268.279 1.991 40 0 CDABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(F)(F)F ZINC000005480373 358703103 /nfs/dbraw/zinc/70/31/03/358703103.db2.gz GHBNKDTUGOITPV-UWVGGRQHSA-N 1 0 264.291 1.929 40 0 CDABRO O=C(CC(F)(F)F)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096047364 358706537 /nfs/dbraw/zinc/70/65/37/358706537.db2.gz UBMCTQJSTGJPFO-UHFFFAOYSA-N 1 0 264.291 1.931 40 0 CDABRO COC[C@@H]1Cn2ccnc2CN(C(=O)Cc2ccccc2)C1 ZINC000096187750 358715434 /nfs/dbraw/zinc/71/54/34/358715434.db2.gz SEQRWHNDBHSGGS-OAHLLOKOSA-N 1 0 299.374 1.731 40 0 CDABRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1nccs1)C2 ZINC000096189617 358716605 /nfs/dbraw/zinc/71/66/05/358716605.db2.gz GXMMNHFVIIFXEC-GFCCVEGCSA-N 1 0 289.404 1.972 40 0 CDABRO COC[C@@H]1C(=O)NCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096207838 358720343 /nfs/dbraw/zinc/72/03/43/358720343.db2.gz AUJHLTDADBCPMP-CQSZACIVSA-N 1 0 289.379 1.056 40 0 CDABRO COC[C@@H]1Cn2cncc2CN(Cc2c(C)noc2C)C1 ZINC000096217320 358721417 /nfs/dbraw/zinc/72/14/17/358721417.db2.gz FYSQWVBRBWIQSO-ZDUSSCGKSA-N 1 0 290.367 1.766 40 0 CDABRO C[N@@H+]1CCCC[C@]12CCCN(C(=O)c1cnccn1)C2 ZINC000096217577 358722253 /nfs/dbraw/zinc/72/22/53/358722253.db2.gz NJGQINXDKCLCIB-OAHLLOKOSA-N 1 0 274.368 1.567 40 0 CDABRO C[N@@H+]1CCCCC12CCN(c1nncs1)CC2 ZINC000096217550 358722340 /nfs/dbraw/zinc/72/23/40/358722340.db2.gz LBMRYSLHKFKOAZ-UHFFFAOYSA-N 1 0 252.387 1.993 40 0 CDABRO COCC[C@@H]1COC2(C1)CC[NH+](Cc1cc[nH]n1)CC2 ZINC000096220179 358722518 /nfs/dbraw/zinc/72/25/18/358722518.db2.gz YJBIDHAIHZUJCI-ZDUSSCGKSA-N 1 0 279.384 1.817 40 0 CDABRO O=C1[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2CN1Cc1ccncc1 ZINC000096245138 358724472 /nfs/dbraw/zinc/72/44/72/358724472.db2.gz ONZIIYACBFUICJ-HOTGVXAUSA-N 1 0 297.358 1.765 40 0 CDABRO Cc1ncnc2c1CC[N@H+](Cc1ccccn1)CC2 ZINC000096254957 358727962 /nfs/dbraw/zinc/72/79/62/358727962.db2.gz JWHJSHLUPGGEOU-UHFFFAOYSA-N 1 0 254.337 1.781 40 0 CDABRO CCOCc1nnn2c1C[N@@H+](C1CCOCC1)CCC2 ZINC000096256049 358728910 /nfs/dbraw/zinc/72/89/10/358728910.db2.gz JYDPNZYVCAAHQS-UHFFFAOYSA-N 1 0 280.372 1.199 40 0 CDABRO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000514289365 360125574 /nfs/dbraw/zinc/12/55/74/360125574.db2.gz JAFDBWJFVGXHGC-HIFRSBDPSA-N 1 0 290.338 1.753 40 0 biogenic,in-vitro CDABRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000237467925 361462163 /nfs/dbraw/zinc/46/21/63/361462163.db2.gz VUDUCYRUMQPPRO-NWDGAFQWSA-N 1 0 280.343 1.790 40 0 CDABRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCn1cncn1)c1ccccc1 ZINC000076106974 366981014 /nfs/dbraw/zinc/98/10/14/366981014.db2.gz WRPKONRKGMSSNK-HOTGVXAUSA-N 1 0 286.379 1.866 40 0 CDABRO O=S(=O)(c1ccc(F)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000033426359 367282078 /nfs/dbraw/zinc/28/20/78/367282078.db2.gz BCULHANTBNPCNO-CYBMUJFWSA-N 1 0 284.356 1.200 40 0 CDABRO CCN(C(=O)C[NH3+])[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178068 284149437 /nfs/dbraw/zinc/14/94/37/284149437.db2.gz ZLAJKWRSAPSCLK-TXEJJXNPSA-N 1 0 299.415 1.630 40 0 CDABRO CCc1ccc(-n2ncc3c2nc[nH+]c3NN)cc1 ZINC000062203235 374134619 /nfs/dbraw/zinc/13/46/19/374134619.db2.gz RURWMMDWKSGEHI-UHFFFAOYSA-N 1 0 254.297 1.664 40 0 CDABRO C[NH+](C)CCCNC(=O)c1cn(-c2ccc(F)cc2)cn1 ZINC000227115282 375445703 /nfs/dbraw/zinc/44/57/03/375445703.db2.gz WPKOIFLWZLJZET-UHFFFAOYSA-N 1 0 290.342 1.693 40 0 CDABRO O[C@@H](C[NH2+]CC1CC1)c1ccc(Br)cn1 ZINC000217529593 375663807 /nfs/dbraw/zinc/66/38/07/375663807.db2.gz SCKFRFXZJIEMBB-NSHDSACASA-N 1 0 271.158 1.877 40 0 CDABRO [NH3+][C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1 ZINC000257202757 190010536 /nfs/dbraw/zinc/01/05/36/190010536.db2.gz ANHDILNCTYARJV-KBXIAJHMSA-N 1 0 280.343 1.129 40 0 CDABRO c1nc2ncccn2c1-c1cnc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257199891 190010781 /nfs/dbraw/zinc/01/07/81/190010781.db2.gz ABDZJHXLEZFKEF-LBPRGKRZSA-N 1 0 294.362 1.728 40 0 CDABRO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@H]12 ZINC000257206281 190011152 /nfs/dbraw/zinc/01/11/52/190011152.db2.gz BCRXMEQZPYUXKE-VNHYZAJKSA-N 1 0 262.353 1.472 40 0 CDABRO C[N@@H+]1CCN(Cc2ccc(Cl)c(F)c2)C[C@H](C(N)=O)C1 ZINC000257224256 190015112 /nfs/dbraw/zinc/01/51/12/190015112.db2.gz FAZDPBCITXDXLM-LLVKDONJSA-N 1 0 299.777 1.328 40 0 CDABRO COCCCNC(=O)c1ccccc1-n1cnc(C[NH3+])c1 ZINC000257243348 190018731 /nfs/dbraw/zinc/01/87/31/190018731.db2.gz IGNPVWRAXMZENN-UHFFFAOYSA-N 1 0 288.351 1.097 40 0 CDABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257274500 190024939 /nfs/dbraw/zinc/02/49/39/190024939.db2.gz NLILVIFVJXUIBP-ZDUSSCGKSA-N 1 0 276.384 1.518 40 0 CDABRO O=C(Nc1cc(-c2ccccc2F)[nH]n1)[C@H]1CC[NH2+]C1 ZINC000257317360 190032890 /nfs/dbraw/zinc/03/28/90/190032890.db2.gz VJLRSTXEBBKTEL-VIFPVBQESA-N 1 0 274.299 1.764 40 0 CDABRO CN(C(=O)c1cccs1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257321197 190033396 /nfs/dbraw/zinc/03/33/96/190033396.db2.gz WAOMOJJBPHEQMU-YRGRVCCFSA-N 1 0 294.420 1.808 40 0 CDABRO COCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000063528481 378303355 /nfs/dbraw/zinc/30/33/55/378303355.db2.gz PJLZKLLSJBUEFE-OKILXGFUSA-N 1 0 289.379 1.008 40 0 CDABRO CC(C)Nc1ncnc2c1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096255540 256836881 /nfs/dbraw/zinc/83/68/81/256836881.db2.gz VOUHAGOKCXNOJP-ZDUSSCGKSA-N 1 0 290.411 1.734 40 0 CDABRO CC(C)N(C[C@@H]1COc2ccccc2O1)C(=O)C[NH3+] ZINC000079421456 390422635 /nfs/dbraw/zinc/42/26/35/390422635.db2.gz XCHNIOGAEZKVBC-LLVKDONJSA-N 1 0 264.325 1.022 40 0 CDABRO CCOC(=O)[C@H](CN)C1([NH+]2CCCC2)CCCCC1 ZINC000072210451 390618546 /nfs/dbraw/zinc/61/85/46/390618546.db2.gz SOIIHUGLSKYPBS-ZDUSSCGKSA-N 1 0 268.401 1.923 40 0 CDABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCC[N@H+]1C ZINC000072219610 390622978 /nfs/dbraw/zinc/62/29/78/390622978.db2.gz RRSZUXVQZFJHMW-AWEZNQCLSA-N 1 0 261.369 1.993 40 0 CDABRO Cc1cc(CCO)cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222678 390624255 /nfs/dbraw/zinc/62/42/55/390624255.db2.gz HLHVNAPSAZLAAC-UHFFFAOYSA-N 1 0 263.385 1.455 40 0 CDABRO O=C(c1ccsc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000096157155 390913277 /nfs/dbraw/zinc/91/32/77/390913277.db2.gz VZUXVORBABNCKO-UHFFFAOYSA-N 1 0 250.367 1.964 40 0 CDABRO CS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218513613 391075532 /nfs/dbraw/zinc/07/55/32/391075532.db2.gz PMYFSPNGJWZBLC-GARJFASQSA-N 1 0 259.758 1.425 40 0 CDABRO CO[C@@H]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000257209519 391648150 /nfs/dbraw/zinc/64/81/50/391648150.db2.gz BQTAMNLRVLLLOM-ZSHCYNCHSA-N 1 0 294.439 1.990 40 0 CDABRO COc1ccc(C[C@@H]2C[N@H+](C)CC[C@H]2O)c(OC)c1OC ZINC000252497670 392795026 /nfs/dbraw/zinc/79/50/26/392795026.db2.gz QMQMRMFUDUJKIO-CHWSQXEVSA-N 1 0 295.379 1.568 40 0 CDABRO OCC[NH+]1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000041669514 134884406 /nfs/dbraw/zinc/88/44/06/134884406.db2.gz VGFCHHJPBAIKTO-UHFFFAOYSA-N 1 0 273.336 1.055 40 0 CDABRO C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000082311366 135005410 /nfs/dbraw/zinc/00/54/10/135005410.db2.gz WDSDBFRNHNVCRC-HNNXBMFYSA-N 1 0 287.407 1.677 40 0 CDABRO Cc1cncc([C@@H]2CCC[N@@H+]2CC2(O)CCOCC2)n1 ZINC000257293468 397607319 /nfs/dbraw/zinc/60/73/19/397607319.db2.gz QPNRYZFYPDDEMP-AWEZNQCLSA-N 1 0 277.368 1.463 40 0 CDABRO C[C@@]12CCN(C(=O)C3CC[NH2+]CC3)[C@@H]1CC[C@@H](O)C2 ZINC000257265163 397607385 /nfs/dbraw/zinc/60/73/85/397607385.db2.gz LXOLETNBNZPNTJ-NFAWXSAZSA-N 1 0 266.385 1.138 40 0 CDABRO C[NH+](C)C[C@H]1CO[C@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000096078526 398070409 /nfs/dbraw/zinc/07/04/09/398070409.db2.gz WBZVGICNINLORA-HOTGVXAUSA-N 1 0 294.395 1.449 40 0 CDABRO CC(C)N(C(=O)[C@H](C)[NH2+]C[C@H]1CCCO1)C(C)C ZINC000004969162 170046985 /nfs/dbraw/zinc/04/69/85/170046985.db2.gz NCETZSSCAXGGDG-QWHCGFSZSA-N 1 0 256.390 1.789 40 0 CDABRO Cc1cccc(NC(=S)NCCC[NH+](C)C)n1 ZINC000007143505 170268923 /nfs/dbraw/zinc/26/89/23/170268923.db2.gz KLMKHNLNEDJTNL-UHFFFAOYSA-N 1 0 252.387 1.628 40 0 CDABRO CC[NH+](CC)CCN[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000022586267 171393124 /nfs/dbraw/zinc/39/31/24/171393124.db2.gz GENAEMYXVFBVFV-AWEZNQCLSA-N 1 0 289.423 1.896 40 0 CDABRO C[C@H]([NH2+]CCN(C)C)C(=O)N1CCCCCCC1 ZINC000022586220 171393382 /nfs/dbraw/zinc/39/33/82/171393382.db2.gz HGSCIHYSEIQQAI-ZDUSSCGKSA-N 1 0 255.406 1.319 40 0 CDABRO O=C(C1CC1)N1CCC([NH2+]Cc2cscn2)CC1 ZINC000040505086 174301702 /nfs/dbraw/zinc/30/17/02/174301702.db2.gz AELJYIVDISFXAF-UHFFFAOYSA-N 1 0 265.382 1.634 40 0 CDABRO CCCn1ccc(C(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000072265406 176352089 /nfs/dbraw/zinc/35/20/89/176352089.db2.gz PXACCCTYZKYQFK-UHFFFAOYSA-N 1 0 278.400 1.897 40 0 CDABRO Cc1nccn1-c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072355463 176374960 /nfs/dbraw/zinc/37/49/60/176374960.db2.gz JLIAPWSQPCKOQI-GFCCVEGCSA-N 1 0 257.341 1.780 40 0 CDABRO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072355931 176375837 /nfs/dbraw/zinc/37/58/37/176375837.db2.gz CLTRFPPICHZAQN-CQSZACIVSA-N 1 0 271.368 1.898 40 0 CDABRO NC(=O)C[N@@H+]1CC[C@H](Cc2cncc3ccccc32)C1 ZINC000072367885 176382569 /nfs/dbraw/zinc/38/25/69/176382569.db2.gz WAPRTCGVYUQJCB-GFCCVEGCSA-N 1 0 269.348 1.585 40 0 CDABRO C[NH+](C)CC[C@H]1CCCN(C(=O)c2cscn2)C1 ZINC000072368645 176383723 /nfs/dbraw/zinc/38/37/23/176383723.db2.gz BKWOEUBGAXOMGR-LLVKDONJSA-N 1 0 267.398 1.947 40 0 CDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccsc1 ZINC000072397588 176395219 /nfs/dbraw/zinc/39/52/19/176395219.db2.gz IWGCWUJJYLIYCP-CYZMBNFOSA-N 1 0 252.383 1.387 40 0 CDABRO COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000077008541 177144815 /nfs/dbraw/zinc/14/48/15/177144815.db2.gz WZDDERZVUPGCGW-KBPBESRZSA-N 1 0 294.395 1.319 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000083318380 260188903 /nfs/dbraw/zinc/18/89/03/260188903.db2.gz IUAIUTQQJMTBTQ-GARJFASQSA-N 1 0 285.388 1.286 40 0 CDABRO COc1ccccc1S(=O)(=O)C1CC[NH2+]CC1 ZINC000083319565 260302734 /nfs/dbraw/zinc/30/27/34/260302734.db2.gz GEYHZWKBAXMEAI-UHFFFAOYSA-N 1 0 255.339 1.221 40 0 CDABRO Cc1ccc(NC(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000096157289 260563723 /nfs/dbraw/zinc/56/37/23/260563723.db2.gz RRPWGDVGMKETHY-AWEZNQCLSA-N 1 0 259.309 1.442 40 0 CDABRO O=C(N[C@H](c1ccncc1)C1CC1)C1CC[NH2+]CC1 ZINC000098181616 262589907 /nfs/dbraw/zinc/58/99/07/262589907.db2.gz XYHPQEHMHNQMKI-AWEZNQCLSA-N 1 0 259.353 1.649 40 0 CDABRO COc1ccccc1N1C(=N)NC(=[NH2+])N[C@H]1c1ccccc1 ZINC000003075957 274158428 /nfs/dbraw/zinc/15/84/28/274158428.db2.gz GDRRQSFYFISYHS-CQSZACIVSA-N 1 0 295.346 1.843 40 0 CDABRO C[C@@H]1CN(c2cccc(CC3CC[NH2+]CC3)n2)C(=O)O1 ZINC000257322285 274365542 /nfs/dbraw/zinc/36/55/42/274365542.db2.gz WFIUQVWREIUGJB-LLVKDONJSA-N 1 0 275.352 1.969 40 0 CDABRO [NH3+][C@@H]1CCCN(c2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000096515944 274956357 /nfs/dbraw/zinc/95/63/57/274956357.db2.gz YZAUHGVIBCTUDY-SSDOTTSWSA-N 1 0 286.261 1.071 40 0 CDABRO O=C1O[C@@]2(CN1c1ccc(Cl)cc1)C[NH2+]CCOC2 ZINC000257242228 275027202 /nfs/dbraw/zinc/02/72/02/275027202.db2.gz IBPFLVNZESBPCE-CYBMUJFWSA-N 1 0 282.727 1.655 40 0 CDABRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]21 ZINC000096058273 277245051 /nfs/dbraw/zinc/24/50/51/277245051.db2.gz SYCDLHNBIGAPRL-HZSPNIEDSA-N 1 0 278.352 1.253 40 0 CDABRO C[C@@H]1OC(=O)[C@@H]2[C@@H]1[N@@H+]1CCc3ccccc3[C@@H]1C[C@H]2O ZINC000020111861 279038982 /nfs/dbraw/zinc/03/89/82/279038982.db2.gz MPEJFJFZVUSBET-FRDLFTECSA-N 1 0 273.332 1.281 40 0 CDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)cn1 ZINC000096049936 279336067 /nfs/dbraw/zinc/33/60/67/279336067.db2.gz XNGSTYWOWPDLJA-AWEZNQCLSA-N 1 0 262.357 1.055 40 0 CDABRO C[C@H]1O[C@@H](O[C@@H]2CCCc3ccccc32)C[C@@H]([NH3+])[C@@H]1O ZINC000005208945 280071257 /nfs/dbraw/zinc/07/12/57/280071257.db2.gz GFJVGEMINSLVKX-NPODOCJWSA-N 1 0 277.364 1.904 40 0 CDABRO CN(C(=O)OC(C)(C)C)C1CCN(CC[NH3+])CC1 ZINC000079408371 281810641 /nfs/dbraw/zinc/81/06/41/281810641.db2.gz PUWHGJPLLXRPRQ-UHFFFAOYSA-N 1 0 257.378 1.276 40 0 CDABRO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCc3cc(F)ccc3C2)C1 ZINC000923373017 618323370 /nfs/dbraw/zinc/32/33/70/618323370.db2.gz LUDVAFUNVRLJRI-IHRRRGAJSA-N 1 0 250.317 1.034 40 0 CDABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)N(C)C)C2)C1 ZINC000096049620 185073866 /nfs/dbraw/zinc/07/38/66/185073866.db2.gz OJDATRLHGICDDT-AWEZNQCLSA-N 1 0 269.389 1.102 40 0 CDABRO O=C([C@H]1C[C@@H]2CC[N@H+](CC3CC3)C[C@H]2O1)N1CCCO1 ZINC000096066175 185084126 /nfs/dbraw/zinc/08/41/26/185084126.db2.gz OBCQFMXIMIHUKC-BFHYXJOUSA-N 1 0 280.368 1.040 40 0 CDABRO Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cnn(C)c2)n1 ZINC000096063974 185084389 /nfs/dbraw/zinc/08/43/89/185084389.db2.gz SAYGZLGRSMOSSE-CVEARBPZSA-N 1 0 297.406 1.977 40 0 CDABRO O=C(NCC[C@H]1C[NH2+]Cc2ccnn21)C1CC(F)(F)C1 ZINC000585112614 342213552 /nfs/dbraw/zinc/21/35/52/342213552.db2.gz UIPJAKQDGDOLBK-JTQLQIEISA-N 1 0 284.310 1.079 40 0 CDABRO O[C@]1(COc2ccc(F)cc2)CCN(Cc2cc[nH]n2)C1 ZINC000585269145 342253695 /nfs/dbraw/zinc/25/36/95/342253695.db2.gz KLOCMWOCODJJET-OAHLLOKOSA-N 1 0 291.326 1.565 40 0 CDABRO Cc1ccccc1OC[C@]1(O)COCC[N@@H+](C)C1 ZINC000585275708 342256023 /nfs/dbraw/zinc/25/60/23/342256023.db2.gz IGFWTEXDSSBVMT-CQSZACIVSA-N 1 0 251.326 1.067 40 0 CDABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccncc2C)[C@@H]1OC ZINC000585292118 342259015 /nfs/dbraw/zinc/25/90/15/342259015.db2.gz YAYJXHJWTDORPB-KFWWJZLASA-N 1 0 280.368 1.251 40 0 CDABRO CO[C@H]1Cn2nccc2C[N@H+](CCc2ccccc2)C1 ZINC000247881914 362136973 /nfs/dbraw/zinc/13/69/73/362136973.db2.gz QJAVIZPYMQJTAS-MRXNPFEDSA-N 1 0 271.364 1.956 40 0 CDABRO Cc1ccc(C(=O)N2Cc3cncn3[C@@H](C[NH+](C)C)C2)cn1 ZINC000248146943 362153861 /nfs/dbraw/zinc/15/38/61/362153861.db2.gz WBPZJJZHZQDRAK-HNNXBMFYSA-N 1 0 299.378 1.345 40 0 CDABRO Fc1ccc(CN2CCOCC23CC[NH2+]CC3)cc1 ZINC000306142067 201846437 /nfs/dbraw/zinc/84/64/37/201846437.db2.gz WOMBMNUQBZYBDU-UHFFFAOYSA-N 1 0 264.344 1.780 40 0 CDABRO [NH3+][C@@H]1CCc2nc(-c3ccncc3)[nH]c(=O)c2CC1 ZINC000141521301 348742284 /nfs/dbraw/zinc/74/22/84/348742284.db2.gz AVTDDPWYLZVFOR-JTQLQIEISA-N 1 0 256.309 1.038 40 0 CDABRO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1Cc1ccccc1 ZINC000107183460 186161240 /nfs/dbraw/zinc/16/12/40/186161240.db2.gz WNGPAPYAYALGMY-ZIAGYGMSSA-N 1 0 280.393 1.200 40 0 CDABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cn(C)nc1C)C2 ZINC000108532689 186222483 /nfs/dbraw/zinc/22/24/83/186222483.db2.gz SACSIEUMWGEEAJ-GDBMZVCRSA-N 1 0 290.411 1.467 40 0 CDABRO C[C@@H](C(=O)N1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000004448428 363241584 /nfs/dbraw/zinc/24/15/84/363241584.db2.gz ZSLNMPNMWSJGRY-HNNXBMFYSA-N 1 0 293.455 1.948 40 0 CDABRO COc1cc(C[C@H]([NH3+])C(C)=O)cc(OC)c1OC ZINC000001563855 355940275 /nfs/dbraw/zinc/94/02/75/355940275.db2.gz DABZWAIDJQIHCS-JTQLQIEISA-N 1 0 253.298 1.171 40 0 CDABRO C[NH+](C)CCC(CC[NH+](C)C)(C(=O)[O-])c1ccccc1 ZINC000001646360 355943996 /nfs/dbraw/zinc/94/39/96/355943996.db2.gz IFGNOHARBDIOII-UHFFFAOYSA-N 1 0 278.396 1.912 40 0 CDABRO [NH3+][C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccccc1 ZINC000019369349 356483101 /nfs/dbraw/zinc/48/31/01/356483101.db2.gz NNDATGCDNUYDLS-CQSZACIVSA-N 1 0 284.363 1.613 40 0 CDABRO Cc1nn(CN2CC[NH+](C)CC2)c2nc3ccccc3nc12 ZINC000022942662 356625478 /nfs/dbraw/zinc/62/54/78/356625478.db2.gz PAFIKZBQMGMSJX-UHFFFAOYSA-N 1 0 296.378 1.493 40 0 CDABRO COC(=O)C[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000031938713 356772745 /nfs/dbraw/zinc/77/27/45/356772745.db2.gz UGTRXCFGKOMVDA-GFCCVEGCSA-N 1 0 293.319 1.352 40 0 CDABRO [NH3+]CCN1C(=O)O[C@H](c2ccccc2Cl)C1=O ZINC000039320066 356972719 /nfs/dbraw/zinc/97/27/19/356972719.db2.gz HBJNCPSXXKVPGQ-SECBINFHSA-N 1 0 254.673 1.319 40 0 CDABRO CN(CCO)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079393496 356989462 /nfs/dbraw/zinc/98/94/62/356989462.db2.gz RYMBPHJMERKSMS-INIZCTEOSA-N 1 0 262.397 1.965 40 0 CDABRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)OCc1ccccc1 ZINC000079410894 356993992 /nfs/dbraw/zinc/99/39/92/356993992.db2.gz SVWFMOORXWPNBE-HNNXBMFYSA-N 1 0 292.379 1.760 40 0 CDABRO CC(C)N(Cc1cccc2c1OCCO2)C(=O)C[NH3+] ZINC000079421448 356996183 /nfs/dbraw/zinc/99/61/83/356996183.db2.gz YKVITMNXKJREJO-UHFFFAOYSA-N 1 0 264.325 1.154 40 0 CDABRO CCOC(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)OCC ZINC000047219141 357153898 /nfs/dbraw/zinc/15/38/98/357153898.db2.gz IVYZOQODXLJAMD-NSHDSACASA-N 1 0 275.389 1.953 40 0 CDABRO c1cc2cc(C[NH2+]CCCN3CCOCC3)ccc2[nH]1 ZINC000015424199 357452127 /nfs/dbraw/zinc/45/21/27/357452127.db2.gz VQMNUSDEETWHGU-UHFFFAOYSA-N 1 0 273.380 1.980 40 0 CDABRO NC(=[NH2+])c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000108244367 283262461 /nfs/dbraw/zinc/26/24/61/283262461.db2.gz VNYIPYQRYBJGKU-UHFFFAOYSA-N 1 0 274.345 1.945 40 0 CDABRO OC1CCN(c2cccc(C[C@H]3CCC[NH2+]CC3)n2)CC1 ZINC000072364931 357830657 /nfs/dbraw/zinc/83/06/57/357830657.db2.gz QFCAUZUYVIVZIN-AWEZNQCLSA-N 1 0 289.423 1.975 40 0 CDABRO OC[C@@H]1CC[N@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000072398344 357832917 /nfs/dbraw/zinc/83/29/17/357832917.db2.gz OBMGYHCZXHBQOH-CYBMUJFWSA-N 1 0 276.384 1.281 40 0 CDABRO C[N@@H+]1CCC[C@@H](C(=O)NCCCOC2CCCC2)C1 ZINC000081305825 358122096 /nfs/dbraw/zinc/12/20/96/358122096.db2.gz JWDALPSSJDZFLD-CYBMUJFWSA-N 1 0 268.401 1.794 40 0 CDABRO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccs1 ZINC000096184478 358714033 /nfs/dbraw/zinc/71/40/33/358714033.db2.gz LWVZLRQOCPWCSM-NEPJUHHUSA-N 1 0 286.422 1.356 40 0 CDABRO COCCN1CC[N@@H+](C2CCOCC2)Cc2cccnc21 ZINC000096198870 358717012 /nfs/dbraw/zinc/71/70/12/358717012.db2.gz BDEXGDDJKDYLJT-UHFFFAOYSA-N 1 0 291.395 1.529 40 0 CDABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1cocn1)CC2 ZINC000096216201 358721465 /nfs/dbraw/zinc/72/14/65/358721465.db2.gz FCVOZIYDGZSRML-LBPRGKRZSA-N 1 0 293.367 1.248 40 0 CDABRO c1cnc(N2CCO[C@H]3C[N@@H+](CC4CCCC4)C[C@H]32)cn1 ZINC000096248900 358726697 /nfs/dbraw/zinc/72/66/97/358726697.db2.gz UFQHOBFHRNTULP-CABCVRRESA-N 1 0 288.395 1.556 40 0 CDABRO CC[C@@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncc(F)cn1 ZINC000096248858 358726772 /nfs/dbraw/zinc/72/67/72/358726772.db2.gz XGFKDQCTOILSOP-RTXFEEFZSA-N 1 0 280.347 1.304 40 0 CDABRO Cc1ccc(F)cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000042646130 358963573 /nfs/dbraw/zinc/96/35/73/358963573.db2.gz PLZNTCWJPCHDLC-UHFFFAOYSA-N 1 0 281.331 1.141 40 0 CDABRO Cc1c(Cl)cccc1N1CC[C@@H](C[NH3+])S1(=O)=O ZINC000222544762 359352896 /nfs/dbraw/zinc/35/28/96/359352896.db2.gz GCMZJBKIDVIODB-VIFPVBQESA-N 1 0 274.773 1.516 40 0 CDABRO C[C@H](C(=O)N1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439476 359421865 /nfs/dbraw/zinc/42/18/65/359421865.db2.gz ZSLNMPNMWSJGRY-OAHLLOKOSA-N 1 0 293.455 1.948 40 0 CDABRO Cn1c(Cl)nc2cc(C(=O)NCCC[NH+](C)C)ccc21 ZINC000225987814 359637885 /nfs/dbraw/zinc/63/78/85/359637885.db2.gz YVCLWYLRPUOXNQ-UHFFFAOYSA-N 1 0 294.786 1.908 40 0 CDABRO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000044542028 283457193 /nfs/dbraw/zinc/45/71/93/283457193.db2.gz ZHMYTRDVDJXFBO-FZMZJTMJSA-N 1 0 276.336 1.166 40 0 CDABRO Cc1cc(C)cc(N2CC[C@@H](C[NH3+])S2(=O)=O)c1 ZINC000222540707 189731675 /nfs/dbraw/zinc/73/16/75/189731675.db2.gz AUEVIXVGMOJPJL-LBPRGKRZSA-N 1 0 254.355 1.171 40 0 CDABRO COc1cccc(CN2CC[C@]3(CC[NH2+]C3)C2=O)c1 ZINC000306135646 367315344 /nfs/dbraw/zinc/31/53/44/367315344.db2.gz OWTFCWOIVLCWIZ-HNNXBMFYSA-N 1 0 260.337 1.407 40 0 CDABRO CCS(=O)(=O)[C@H]1[C@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218464409 372827366 /nfs/dbraw/zinc/82/73/66/372827366.db2.gz HPROAGMMWQGCJM-HBNTYKKESA-N 1 0 259.758 1.568 40 0 CDABRO COC1CC[NH+](CCNC(=O)C2CCCCC2)CC1 ZINC000079669457 374833345 /nfs/dbraw/zinc/83/33/45/374833345.db2.gz SUGSCHFDAUHARE-UHFFFAOYSA-N 1 0 268.401 1.794 40 0 CDABRO c1ccc(COCc2cncc3c2CC[NH2+]C3)nc1 ZINC000306128111 374967099 /nfs/dbraw/zinc/96/70/99/374967099.db2.gz GQEVDVBKLAWFJZ-UHFFFAOYSA-N 1 0 255.321 1.839 40 0 CDABRO Fc1cccc(-c2cnc3c(N4CC[NH2+]CC4)nccn23)c1 ZINC000306145060 374972297 /nfs/dbraw/zinc/97/22/97/374972297.db2.gz ZWFKOCLDOHXAKB-UHFFFAOYSA-N 1 0 297.337 1.945 40 0 CDABRO c1cncc(OCc2nn(CC3CC3)c3c2C[NH2+]CC3)c1 ZINC000306144828 374972545 /nfs/dbraw/zinc/97/25/45/374972545.db2.gz ZPRNWHNJNMOTFB-UHFFFAOYSA-N 1 0 284.363 1.913 40 0 CDABRO c1nn(C2CCCC2)cc1C[NH2+]CCN1CCOCC1 ZINC000256050245 190003259 /nfs/dbraw/zinc/00/32/59/190003259.db2.gz DHANHEABVFBQFV-UHFFFAOYSA-N 1 0 278.400 1.420 40 0 CDABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3c1ncnc2nc[nH]c21 ZINC000257209415 190012690 /nfs/dbraw/zinc/01/26/90/190012690.db2.gz BQHFXUXBMCXLLD-MEQWQQMJSA-N 1 0 298.394 1.852 40 0 CDABRO Cn1cncc1-c1cncc(CC2CC[NH2+]CC2)n1 ZINC000257224705 190015786 /nfs/dbraw/zinc/01/57/86/190015786.db2.gz FCYRWABNOOTDNA-UHFFFAOYSA-N 1 0 257.341 1.419 40 0 CDABRO Cn1cc(-c2cnc(C[C@H]3CCC[NH2+]C3)cn2)cn1 ZINC000257223229 190014455 /nfs/dbraw/zinc/01/44/55/190014455.db2.gz DWLJXDREFJLUFU-LLVKDONJSA-N 1 0 257.341 1.419 40 0 CDABRO c1cnc(Nc2cncc(C3CC[NH2+]CC3)n2)cn1 ZINC000257244912 190019150 /nfs/dbraw/zinc/01/91/50/190019150.db2.gz INIHZRPIZZRYRJ-UHFFFAOYSA-N 1 0 256.313 1.477 40 0 CDABRO Cn1cc(C(=O)N2CCC[C@H]3[NH2+]CCC[C@@]32C)cn1 ZINC000257252108 190020312 /nfs/dbraw/zinc/02/03/12/190020312.db2.gz JTOQZKLRYQIVOF-OCCSQVGLSA-N 1 0 262.357 1.167 40 0 CDABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(C)(=O)=O ZINC000218013459 375777632 /nfs/dbraw/zinc/77/76/32/375777632.db2.gz HUWQZPKWFVVEMZ-RDBSUJKOSA-N 1 0 283.393 1.179 40 0 CDABRO c1cnc(Nc2cncc([C@H]3CCC[NH2+]C3)n2)nc1 ZINC000257271045 190024319 /nfs/dbraw/zinc/02/43/19/190024319.db2.gz MWOXTAPVTFVBCH-JTQLQIEISA-N 1 0 256.313 1.477 40 0 CDABRO CN(C)Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257302124 190030364 /nfs/dbraw/zinc/03/03/64/190030364.db2.gz SBQFOSIZFBIEFK-CYBMUJFWSA-N 1 0 288.399 1.194 40 0 CDABRO O=C(C[NH+]1CCCC1)NCc1ccnc([C@H]2CCCO2)n1 ZINC000257303969 190030789 /nfs/dbraw/zinc/03/07/89/190030789.db2.gz SJNOVYFHBSNWMY-CYBMUJFWSA-N 1 0 290.367 1.040 40 0 CDABRO CN(C)C(=O)c1cc(C[C@H]2CCC[NH2+]CC2)ncn1 ZINC000257321154 190033263 /nfs/dbraw/zinc/03/32/63/190033263.db2.gz WAHOYWXYUIOHEJ-NSHDSACASA-N 1 0 262.357 1.111 40 0 CDABRO CCn1nc(C)c(C[N@@H+]2C[C@H](OC)[C@]3(CCCO3)C2)c1C ZINC000257334903 190036634 /nfs/dbraw/zinc/03/66/34/190036634.db2.gz YHVCAJBZWWKSIF-HOTGVXAUSA-N 1 0 293.411 1.900 40 0 CDABRO [NH3+][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1cc(CC2CCCCC2)nn1 ZINC000004261011 375944415 /nfs/dbraw/zinc/94/44/15/375944415.db2.gz ACPUVXGELYYVPR-BYNSBNAKSA-N 1 0 292.383 1.067 40 0 biogenic,in-vitro CDABRO CC[C@H]([C@H]([NH3+])c1ccc(OC)cc1)S(=O)(=O)CC ZINC000096524992 256730507 /nfs/dbraw/zinc/73/05/07/256730507.db2.gz IUGKMHOOMJXAFA-CHWSQXEVSA-N 1 0 271.382 1.908 40 0 CDABRO [NH3+]C[C@@H](O)COCc1ccc(Br)c(Cl)c1 ZINC000095096219 184943291 /nfs/dbraw/zinc/94/32/91/184943291.db2.gz RXHAFZDQPAQWAL-MRVPVSSYSA-N 1 0 294.576 1.939 40 0 CDABRO C[C@H]([NH3+])[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000072208864 390616925 /nfs/dbraw/zinc/61/69/25/390616925.db2.gz PBAKKBONSOERFT-YUMQZZPRSA-N 1 0 250.289 1.978 40 0 CDABRO CCOC[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccccc1 ZINC000252515190 390957157 /nfs/dbraw/zinc/95/71/57/390957157.db2.gz HUWQZPKWFVVEMZ-MGPQQGTHSA-N 1 0 283.393 1.179 40 0 CDABRO CC(C)[N@H+]1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 ZINC000247978901 391423948 /nfs/dbraw/zinc/42/39/48/391423948.db2.gz JBXYDJXOTDUCCO-CQSZACIVSA-N 1 0 279.384 1.186 40 0 CDABRO CNC(=O)CN1CCC([NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000133984924 391936832 /nfs/dbraw/zinc/93/68/32/391936832.db2.gz AJZMCTUYPDVKIO-HOCLYGCPSA-N 1 0 293.455 1.779 40 0 CDABRO CCOCC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000225488367 286033992 /nfs/dbraw/zinc/03/39/92/286033992.db2.gz RPRYOBUBJPXWFD-GFCCVEGCSA-N 1 0 256.390 1.635 40 0 CDABRO C[C@@H]([NH2+]CCN(C)C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000022586203 287026557 /nfs/dbraw/zinc/02/65/57/287026557.db2.gz YKTYQTJPTLNLGO-RWMBFGLXSA-N 1 0 255.406 1.031 40 0 CDABRO O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccc(F)cc1 ZINC000004969093 170046748 /nfs/dbraw/zinc/04/67/48/170046748.db2.gz UCDXSNOVYMPXAM-ZDUSSCGKSA-N 1 0 266.316 1.211 40 0 CDABRO CC[NH+]1CCN(C[C@@H](O)CO[C@@H]2CCC[C@@H]2C)CC1 ZINC000020707529 171270094 /nfs/dbraw/zinc/27/00/94/171270094.db2.gz HOQJEEHSQKXMCX-RRFJBIMHSA-N 1 0 270.417 1.190 40 0 CDABRO CC[NH+]1CCN(CC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000022585848 171393432 /nfs/dbraw/zinc/39/34/32/171393432.db2.gz MAIRCCZGGRGSNE-UHFFFAOYSA-N 1 0 289.379 1.465 40 0 CDABRO CN(Cc1ccc(Br)cc1)C(=O)C[NH3+] ZINC000037493506 173233929 /nfs/dbraw/zinc/23/39/29/173233929.db2.gz QPBNJWCDKHFXLN-UHFFFAOYSA-N 1 0 257.131 1.366 40 0 CDABRO CCn1nccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000072265401 176352112 /nfs/dbraw/zinc/35/21/12/176352112.db2.gz UFVVJNMTVFDCAR-UHFFFAOYSA-N 1 0 264.373 1.507 40 0 CDABRO CN1CC[NH2+]C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000072344082 176372583 /nfs/dbraw/zinc/37/25/83/176372583.db2.gz WKTFNJLMZIOIIP-CQSZACIVSA-N 1 0 255.365 1.929 40 0 CDABRO Cc1nc(CCC(=O)N(C)C)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072344292 176373177 /nfs/dbraw/zinc/37/31/77/176373177.db2.gz JGBOMFKNQAAZJE-LBPRGKRZSA-N 1 0 262.357 1.230 40 0 CDABRO OCC[N@@H+]1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355780 176374739 /nfs/dbraw/zinc/37/47/39/176374739.db2.gz MCXCFQXPQXTEJD-AWEZNQCLSA-N 1 0 270.336 1.668 40 0 CDABRO Cn1ccnc1CNc1cnc(C2CC[NH+](C)CC2)cn1 ZINC000072365427 176380808 /nfs/dbraw/zinc/38/08/08/176380808.db2.gz AFMOKIACPFEAJK-UHFFFAOYSA-N 1 0 286.383 1.631 40 0 CDABRO CC(C)C(=O)N1CCC(c2nnc3n2CC[N@@H+](C)C3)CC1 ZINC000072372096 176384706 /nfs/dbraw/zinc/38/47/06/176384706.db2.gz QAFCOAPRWQMEEP-UHFFFAOYSA-N 1 0 291.399 1.086 40 0 CDABRO Cc1nonc1CNc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072386953 176392724 /nfs/dbraw/zinc/39/27/24/176392724.db2.gz OMVGFWNPKZOFTG-SNVBAGLBSA-N 1 0 259.313 1.810 40 0 CDABRO COc1ccc(C[NH2+][C@H]2CCC(=O)NC2)c(OC)c1OC ZINC000078553528 177353804 /nfs/dbraw/zinc/35/38/04/177353804.db2.gz BPAOAGSUXCWMER-NSHDSACASA-N 1 0 294.351 1.081 40 0 CDABRO C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000083318375 260189413 /nfs/dbraw/zinc/18/94/13/260189413.db2.gz IUAIUTQQJMTBTQ-AXFHLTTASA-N 1 0 285.388 1.286 40 0 CDABRO CNC(=O)N[C@H]1CC2(CC[NH2+]CC2)c2cc(C)ccc21 ZINC000096241763 265346189 /nfs/dbraw/zinc/34/61/89/265346189.db2.gz GNCYNVAFLRKGMH-AWEZNQCLSA-N 1 0 273.380 1.990 40 0 CDABRO CC(C)(C)OC(=O)N1CCCC[C@H]1COCC[NH3+] ZINC000079390632 277182833 /nfs/dbraw/zinc/18/28/33/277182833.db2.gz LIDIVMGUWKBEKQ-NSHDSACASA-N 1 0 258.362 1.751 40 0 CDABRO CN1c2cccnc2C[N@@H+](CC2CC2)CC[C@H]1CO ZINC000225496645 277219014 /nfs/dbraw/zinc/21/90/14/277219014.db2.gz CVGNINYIZYEQAG-ZDUSSCGKSA-N 1 0 261.369 1.494 40 0 biogenic,in-vitro CDABRO CO[C@@H]1CCN(C(=O)c2ccsc2)[C@H](C[NH3+])C1 ZINC000161068520 277291725 /nfs/dbraw/zinc/29/17/25/277291725.db2.gz GWLGMPGMBOLZKK-WDEREUQCSA-N 1 0 254.355 1.326 40 0 CDABRO COC(=O)[C@@H]1C[NH2+]Cc2cc(Br)ccc2N1 ZINC000012649110 277366360 /nfs/dbraw/zinc/36/63/60/277366360.db2.gz WXYFFFUOHNKBHK-JTQLQIEISA-N 1 0 285.141 1.506 40 0 CDABRO CC(=O)N1C[C@@H]2C[N@H+](C(C)C)CCN2C(C)(C)C1 ZINC000253406399 278071474 /nfs/dbraw/zinc/07/14/74/278071474.db2.gz UKUFRFCLNVTVSG-ZDUSSCGKSA-N 1 0 253.390 1.022 40 0 biogenic,in-vitro CDABRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccs1 ZINC000082668251 282075961 /nfs/dbraw/zinc/07/59/61/282075961.db2.gz BKMJBEWWOUUXGN-UHFFFAOYSA-N 1 0 262.400 1.544 40 0 CDABRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccnc1Cl ZINC000079438673 295245919 /nfs/dbraw/zinc/24/59/19/295245919.db2.gz PAXKADBTOWDGEN-VIFPVBQESA-N 1 0 253.733 1.688 40 0 CDABRO Cc1c(Cl)cccc1N1CC[C@H](C[NH3+])S1(=O)=O ZINC000260759339 328063831 /nfs/dbraw/zinc/06/38/31/328063831.db2.gz GCMZJBKIDVIODB-SECBINFHSA-N 1 0 274.773 1.516 40 0 CDABRO Cc1nnc(C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000257338433 327136340 /nfs/dbraw/zinc/13/63/40/327136340.db2.gz YXJYMIZPLSQURK-QWHCGFSZSA-N 1 0 265.357 1.861 40 0 CDABRO c1ccc(CC[NH2+]Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000062717751 333176038 /nfs/dbraw/zinc/17/60/38/333176038.db2.gz ZLXMAYDUGITYBV-UHFFFAOYSA-N 1 0 298.390 1.646 40 0 CDABRO CO[C@H]1CCN(C(=O)c2occc2C)[C@H](C[NH3+])C1 ZINC000161088052 518122871 /nfs/dbraw/zinc/12/28/71/518122871.db2.gz SWUNSRFFLVLJCO-QWRGUYRKSA-N 1 0 252.314 1.166 40 0 CDABRO CC(C)CCC(=O)N1Cc2ccnn2[C@@H](C[NH+](C)C)C1 ZINC000575406887 342451880 /nfs/dbraw/zinc/45/18/80/342451880.db2.gz XBANPWHKCDIWMK-AWEZNQCLSA-N 1 0 278.400 1.764 40 0 CDABRO CC1(C)[NH2+][C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CO1 ZINC000095913270 185030823 /nfs/dbraw/zinc/03/08/23/185030823.db2.gz PEJXWFVSLBDUGW-UONOGXRCSA-N 1 0 290.363 1.980 40 0 CDABRO CN(C)C(=O)N1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053914 185075931 /nfs/dbraw/zinc/07/59/31/185075931.db2.gz DDLZWKLCCKHDCY-KBPBESRZSA-N 1 0 291.370 1.871 40 0 CDABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccccn2)N1c1cccnc1 ZINC000096055705 185075992 /nfs/dbraw/zinc/07/59/92/185075992.db2.gz QKFQBHWGVZQLNX-JKSUJKDBSA-N 1 0 294.358 1.856 40 0 CDABRO Cc1nc(CN2CCC3(CC2)COCC[N@H+]3C)cs1 ZINC000096074708 185087916 /nfs/dbraw/zinc/08/79/16/185087916.db2.gz MOTYFWZVFXDBPM-UHFFFAOYSA-N 1 0 281.425 1.748 40 0 CDABRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH2+]CC3)cs1 ZINC000096073187 185088438 /nfs/dbraw/zinc/08/84/38/185088438.db2.gz CWDHTSIDUSLRKO-LBPRGKRZSA-N 1 0 268.382 1.879 40 0 CDABRO Cn1cc(CN2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110630 185100906 /nfs/dbraw/zinc/10/09/06/185100906.db2.gz JNNFXHYLKZATFK-IRXDYDNUSA-N 1 0 297.406 1.379 40 0 CDABRO O=C(NCc1ccco1)[C@]12COC[C@H]1C[N@@H+](C1CCC1)C2 ZINC000096111151 185101692 /nfs/dbraw/zinc/10/16/92/185101692.db2.gz IZJXIHVRHHNHLA-MLGOLLRUSA-N 1 0 290.363 1.397 40 0 CDABRO C[N@@H+]1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102032 342212356 /nfs/dbraw/zinc/21/23/56/342212356.db2.gz OHPHCGQPDRFYPP-AWEZNQCLSA-N 1 0 292.408 1.726 40 0 CDABRO CCOC(=O)N1CC[C@@](C)(O)[C@H]([NH+](CC)CC)C1 ZINC000685936098 539098973 /nfs/dbraw/zinc/09/89/73/539098973.db2.gz DXRLAUPLSMQUDG-DGCLKSJQSA-N 1 0 258.362 1.310 40 0 CDABRO O[C@@]1(COc2ccccc2)CC[N@H+](CC2CCOCC2)C1 ZINC000585268933 342254476 /nfs/dbraw/zinc/25/44/76/342254476.db2.gz DYXGVSSCWNKXHL-KRWDZBQOSA-N 1 0 291.391 1.929 40 0 CDABRO CNC(=O)C[C@@]1(COC)CCC[N@@H+]1Cc1cccnc1 ZINC000585277706 342256387 /nfs/dbraw/zinc/25/63/87/342256387.db2.gz XEDQVLDPOWYLGN-OAHLLOKOSA-N 1 0 277.368 1.199 40 0 CDABRO CN(C)C(=O)C[C@@]1(O)COCC[N@H+](CC2CCCCC2)C1 ZINC000585280205 342257219 /nfs/dbraw/zinc/25/72/19/342257219.db2.gz ZYWDBIZLAQUAGI-INIZCTEOSA-N 1 0 298.427 1.108 40 0 CDABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)[C@@H]1O ZINC000585291646 342259025 /nfs/dbraw/zinc/25/90/25/342259025.db2.gz QZWUBKDRZKTOJJ-MCIONIFRSA-N 1 0 285.771 1.547 40 0 CDABRO Cc1nc(COCC[C@H]2CCOC23C[NH2+]C3)cs1 ZINC000248029721 362144551 /nfs/dbraw/zinc/14/45/51/362144551.db2.gz LNBGSLZFBMZKKN-NSHDSACASA-N 1 0 268.382 1.737 40 0 CDABRO COc1ccccc1[C@H](O)C1(C[NH3+])CCOCC1 ZINC000085395784 179049399 /nfs/dbraw/zinc/04/93/99/179049399.db2.gz JXJXFFRCJPJDNX-ZDUSSCGKSA-N 1 0 251.326 1.484 40 0 CDABRO CCOC(=O)C1=CN(CC[NH+](C)C)/C(=C/N=O)C=C1 ZINC000038176990 348739453 /nfs/dbraw/zinc/73/94/53/348739453.db2.gz WJZFGYKKLOGFQI-FMIVXFBMSA-N 1 0 265.313 1.475 40 0 CDABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(CCO)C[C@@H]12 ZINC000107260337 186164130 /nfs/dbraw/zinc/16/41/30/186164130.db2.gz KTKVBRBKVDEJEQ-CVEARBPZSA-N 1 0 260.381 1.327 40 0 CDABRO C[C@H]([NH3+])C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000157427692 188316786 /nfs/dbraw/zinc/31/67/86/188316786.db2.gz JJOWOVLCKLXQBM-JQWIXIFHSA-N 1 0 252.314 1.134 40 0 CDABRO Cc1ccc(-n2ncc3c2ncnc3NC[C@H](C)O)cc1 ZINC000004355078 356315331 /nfs/dbraw/zinc/31/53/31/356315331.db2.gz BQOCGMCNQAXYME-NSHDSACASA-N 1 0 283.335 1.917 40 0 CDABRO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000019288274 356480059 /nfs/dbraw/zinc/48/00/59/356480059.db2.gz XKWJDKBGBDOFJF-CQSZACIVSA-N 1 0 270.336 1.871 40 0 CDABRO Cc1ccn(CCNC(=O)C[N@H+]2CCC[C@H](C)C2)n1 ZINC000019238131 356477833 /nfs/dbraw/zinc/47/78/33/356477833.db2.gz LFUNINWRGIDLFC-LBPRGKRZSA-N 1 0 264.373 1.040 40 0 CDABRO c1cnc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)nc1 ZINC000035905131 356853314 /nfs/dbraw/zinc/85/33/14/356853314.db2.gz OCUXVCQBAWIADX-BFHYXJOUSA-N 1 0 258.369 1.787 40 0 CDABRO CN1CC[C@@H]([N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)C1=O ZINC000076075189 356954274 /nfs/dbraw/zinc/95/42/74/356954274.db2.gz NISBGRIODMBHNH-OAGGEKHMSA-N 1 0 288.391 1.805 40 0 CDABRO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(Br)c1 ZINC000054370687 357319710 /nfs/dbraw/zinc/31/97/10/357319710.db2.gz IVDRHFORCYXHQD-VIFPVBQESA-N 1 0 283.169 1.883 40 0 CDABRO [NH3+]C1CCN(c2nccn(Cc3ccccc3)c2=O)CC1 ZINC000096530571 357524789 /nfs/dbraw/zinc/52/47/89/357524789.db2.gz JXLPUKVHKGWCQR-UHFFFAOYSA-N 1 0 284.363 1.219 40 0 CDABRO C[N@@H+]1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000082309224 358158242 /nfs/dbraw/zinc/15/82/42/358158242.db2.gz NJGAASCOCWCGAB-OAHLLOKOSA-N 1 0 258.365 1.913 40 0 CDABRO [NH3+]C[C@@H](O)COCc1ccc(F)c(Br)c1 ZINC000095096259 366436251 /nfs/dbraw/zinc/43/62/51/366436251.db2.gz BKMJEKKGHKGSPQ-MRVPVSSYSA-N 1 0 278.121 1.424 40 0 CDABRO Cn1cc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)cn1 ZINC000096058619 358707574 /nfs/dbraw/zinc/70/75/74/358707574.db2.gz HFKXSRRQZMBOFC-UHFFFAOYSA-N 1 0 283.379 1.688 40 0 CDABRO Cc1nc(C[NH2+]C[C@H]2Cn3nnc(C)c3CO2)cs1 ZINC000096199149 358717448 /nfs/dbraw/zinc/71/74/48/358717448.db2.gz HUGDBFLSWOGDRE-NSHDSACASA-N 1 0 279.369 1.040 40 0 CDABRO CN(C)C(=O)N[C@H]1CCO[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC000096206473 358720482 /nfs/dbraw/zinc/72/04/82/358720482.db2.gz BYPUIJOPZUZCAZ-GOEBONIOSA-N 1 0 295.427 1.681 40 0 CDABRO COc1nn(C)c2c1CCC[N@H+](CC1CCOCC1)C2 ZINC000096254417 358728086 /nfs/dbraw/zinc/72/80/86/358728086.db2.gz QCPFULJOYPKLTP-UHFFFAOYSA-N 1 0 279.384 1.604 40 0 CDABRO CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc(SC)cc1 ZINC000075646554 359295263 /nfs/dbraw/zinc/29/52/63/359295263.db2.gz MYXZOTROURIMRW-AWEZNQCLSA-N 1 0 294.420 1.998 40 0 CDABRO CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000242464083 364518936 /nfs/dbraw/zinc/51/89/36/364518936.db2.gz DVJJTVKEMZAVBC-HAQNSBGRSA-N 1 0 272.389 1.746 40 0 CDABRO O=S(=O)(CC1CCCCC1)N[C@H]1CCC[NH2+]C1 ZINC000042520645 364592493 /nfs/dbraw/zinc/59/24/93/364592493.db2.gz GFEQZQRPKGCAKH-LBPRGKRZSA-N 1 0 260.403 1.238 40 0 CDABRO Cc1nc(CN2CCC3(CC[NH2+]CC3)C2=O)cs1 ZINC000306135695 367314784 /nfs/dbraw/zinc/31/47/84/367314784.db2.gz OXYFJGRXELTWSQ-UHFFFAOYSA-N 1 0 265.382 1.554 40 0 CDABRO Cc1nc2c([nH]1)C[C@H](C(=O)Nc1ccccn1)CC2 ZINC000225517864 374647965 /nfs/dbraw/zinc/64/79/65/374647965.db2.gz VRPRQIDFPIDAPO-SNVBAGLBSA-N 1 0 256.309 1.857 40 0 CDABRO CC(C)(C)OC(=O)N1CC[C@]2(C1)COCCC[NH2+]2 ZINC000306146007 374972140 /nfs/dbraw/zinc/97/21/40/374972140.db2.gz ZCDNBFZXTFHFBJ-ZDUSSCGKSA-N 1 0 256.346 1.376 40 0 CDABRO COc1cc(C[NH2+]Cc2cnn(CCF)c2)ccc1O ZINC000256051510 190003729 /nfs/dbraw/zinc/00/37/29/190003729.db2.gz JKYRAVJTRGAXDQ-UHFFFAOYSA-N 1 0 279.315 1.857 40 0 CDABRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCCCO ZINC000256052383 190004603 /nfs/dbraw/zinc/00/46/03/190004603.db2.gz NCTHLKJFXGPOGK-UHFFFAOYSA-N 1 0 251.252 1.301 40 0 CDABRO CN(C)C(=O)C[N@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257217893 190014161 /nfs/dbraw/zinc/01/41/61/190014161.db2.gz DBAJZJNMWWMIQK-VHDGCEQUSA-N 1 0 289.379 1.259 40 0 CDABRO COC[C@@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218249904 375810009 /nfs/dbraw/zinc/81/00/09/375810009.db2.gz LHCVXGXKSRWKQN-IHRRRGAJSA-N 1 0 283.393 1.097 40 0 CDABRO [NH3+][C@H]1COC[C@@H]1Nc1ccc(Br)cc1 ZINC000218677727 375875443 /nfs/dbraw/zinc/87/54/43/375875443.db2.gz IILXTQZNDGXSNQ-UWVGGRQHSA-N 1 0 257.131 1.587 40 0 CDABRO CO[C@@H]1CC=C2CC[N@@H+]3CCC4=C(CC(=O)OC4)[C@@]23C1 ZINC000053022008 376891704 /nfs/dbraw/zinc/89/17/04/376891704.db2.gz ALSKYCOJJPXPFS-CZUORRHYSA-N 1 0 275.348 1.813 40 0 in-vitro CDABRO CC(C)(C)OC(=O)[C@@H](N)[C@H]1c2cc(F)ccc2NC1=O ZINC000103615930 378336226 /nfs/dbraw/zinc/33/62/26/378336226.db2.gz TXWOFGOVXMDJJU-MNOVXSKESA-N 1 0 280.299 1.530 40 0 CDABRO CN(Cc1cccs1)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000041123521 379333874 /nfs/dbraw/zinc/33/38/74/379333874.db2.gz PCPNVIYFYNSKOY-CYBMUJFWSA-N 1 0 254.399 1.637 40 0 CDABRO CC(C)(C)OC(=O)NCc1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225503 256703607 /nfs/dbraw/zinc/70/36/07/256703607.db2.gz JKUZONPHSVZNBF-UHFFFAOYSA-N 1 0 292.383 1.516 40 0 CDABRO NC(=O)[C@@H](C[NH2+]Cc1ccccc1)NCc1ccccc1 ZINC000019369463 256810425 /nfs/dbraw/zinc/81/04/25/256810425.db2.gz HQQKBDUBEMNPQX-MRXNPFEDSA-N 1 0 283.375 1.420 40 0 CDABRO O=C(NC[C@@H]1C[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000096526155 390540818 /nfs/dbraw/zinc/54/08/18/390540818.db2.gz ILTARTRLDPBUMK-GJZGRUSLSA-N 1 0 258.365 1.906 40 0 CDABRO O=C1COC2(CC[NH2+]CC2)CN1C1CCCCC1 ZINC000096531512 390541895 /nfs/dbraw/zinc/54/18/95/390541895.db2.gz VGGGAWYGALUIPX-UHFFFAOYSA-N 1 0 252.358 1.300 40 0 CDABRO C[C@@H]([NH3+])[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000072208865 390617554 /nfs/dbraw/zinc/61/75/54/390617554.db2.gz PBAKKBONSOERFT-SFYZADRCSA-N 1 0 250.289 1.978 40 0 CDABRO CCOC(=O)[C@H](CN)C1([NH+](CC)CC)CCCC1 ZINC000072210396 390618340 /nfs/dbraw/zinc/61/83/40/390618340.db2.gz DIUYJQGMPOMNQA-LBPRGKRZSA-N 1 0 256.390 1.779 40 0 CDABRO CC[C@@H]([NH3+])c1cnc(N2CCN(C=O)CC2)c(C)c1 ZINC000072222646 390622919 /nfs/dbraw/zinc/62/29/19/390622919.db2.gz OTAFUIGYNYOUJP-CYBMUJFWSA-N 1 0 262.357 1.078 40 0 CDABRO Cc1cc([C@@H](O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000072222538 390623128 /nfs/dbraw/zinc/62/31/28/390623128.db2.gz LSBMCQMJSRTNHP-INIZCTEOSA-N 1 0 283.375 1.881 40 0 CDABRO CN(C)S(=O)(=O)c1ccc2[nH+]ccc(N)c2c1 ZINC000026444265 391564101 /nfs/dbraw/zinc/56/41/01/391564101.db2.gz NCXWYBCODGLAQH-UHFFFAOYSA-N 1 0 251.311 1.067 40 0 CDABRO [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000044542024 391657380 /nfs/dbraw/zinc/65/73/80/391657380.db2.gz ZHMYTRDVDJXFBO-RISCZKNCSA-N 1 0 276.336 1.166 40 0 CDABRO CN(C)C(=O)CN1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000306134569 392106291 /nfs/dbraw/zinc/10/62/91/392106291.db2.gz NSGIZQMXZANKPL-HZPDHXFCSA-N 1 0 287.407 1.423 40 0 CDABRO CC[NH+](CC)CCNC(=O)Nc1cccc(C(=O)OC)c1 ZINC000005866711 170148775 /nfs/dbraw/zinc/14/87/75/170148775.db2.gz OMXYUPWMFCINOR-UHFFFAOYSA-N 1 0 293.367 1.937 40 0 CDABRO CCOCCC[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000006536801 170211177 /nfs/dbraw/zinc/21/11/77/170211177.db2.gz BBCKPIKWJGGUBN-UHFFFAOYSA-N 1 0 296.367 1.076 40 0 CDABRO COc1ccc(NC(=S)NCCC[NH+](C)C)cc1OC ZINC000007065227 170265713 /nfs/dbraw/zinc/26/57/13/170265713.db2.gz KDKIYMVMGHZXNS-UHFFFAOYSA-N 1 0 297.424 1.942 40 0 CDABRO CC[C@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000008337090 170331828 /nfs/dbraw/zinc/33/18/28/170331828.db2.gz QLNIKHSBMODHAF-LLVKDONJSA-N 1 0 269.341 1.573 40 0 CDABRO COc1ccc([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000022173812 171369421 /nfs/dbraw/zinc/36/94/21/171369421.db2.gz SVLWYWYUBOCXDQ-SGMGOOAPSA-N 1 0 294.395 1.813 40 0 CDABRO CN(C)c1ccc(-c2nnc([C@H]3CC[NH2+]C3)o2)cc1 ZINC000049170174 175466269 /nfs/dbraw/zinc/46/62/69/175466269.db2.gz IKVCOFFCMLOVIA-NSHDSACASA-N 1 0 258.325 1.880 40 0 biogenic,in-vitro CDABRO CN1CC[NH2+]C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000072344081 176372454 /nfs/dbraw/zinc/37/24/54/176372454.db2.gz WKTFNJLMZIOIIP-AWEZNQCLSA-N 1 0 255.365 1.929 40 0 CDABRO C[NH+](C)CC[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000072368310 176383404 /nfs/dbraw/zinc/38/34/04/176383404.db2.gz NWPHICRUIPYADS-GFCCVEGCSA-N 1 0 262.357 1.281 40 0 CDABRO C[NH+](C)CC[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000072368795 176383524 /nfs/dbraw/zinc/38/35/24/176383524.db2.gz KTSDDHDRGNWAFG-ZDUSSCGKSA-N 1 0 297.424 1.434 40 0 CDABRO CCCNC(=O)c1cc(C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072369326 176384184 /nfs/dbraw/zinc/38/41/84/176384184.db2.gz UDGWTYGZXKYUIM-LBPRGKRZSA-N 1 0 276.384 1.734 40 0 CDABRO C[N@@H+]1CCC[C@@H](Cc2cncc(C(=O)NC3CC3)c2)C1 ZINC000072369336 176384242 /nfs/dbraw/zinc/38/42/42/176384242.db2.gz QEVSYBRFOFTOTN-LBPRGKRZSA-N 1 0 273.380 1.858 40 0 CDABRO C[N@@H+]1CCC[C@H](Cc2cnc(C(=O)NC3CC3)cn2)C1 ZINC000072369333 176384259 /nfs/dbraw/zinc/38/42/59/176384259.db2.gz JAWQYQYPSLJCMC-LLVKDONJSA-N 1 0 274.368 1.253 40 0 CDABRO CC(C)(C)OC(=O)c1ccc(CCNC[NH3+])cc1 ZINC000077031594 177155944 /nfs/dbraw/zinc/15/59/44/177155944.db2.gz JBJDTPIPPYKWFD-UHFFFAOYSA-N 1 0 250.342 1.690 40 0 CDABRO O=C(C1CCC1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC000096157351 260563731 /nfs/dbraw/zinc/56/37/31/260563731.db2.gz UVTJEYNYWKDVQM-LSDHHAIUSA-N 1 0 256.349 1.884 40 0 CDABRO Cc1nc(C2CC[NH2+]CC2)cc(N2CCOC2=O)n1 ZINC000257338798 274838524 /nfs/dbraw/zinc/83/85/24/274838524.db2.gz YZAFLONIJOIZGY-UHFFFAOYSA-N 1 0 262.313 1.209 40 0 CDABRO CCn1nc(C)cc1[C@H](O)C1(C[NH3+])CCOCC1 ZINC000085395776 276718466 /nfs/dbraw/zinc/71/84/66/276718466.db2.gz OIJJAIAOHZVHQA-LBPRGKRZSA-N 1 0 253.346 1.000 40 0 CDABRO CN1CCO[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000063527695 277125702 /nfs/dbraw/zinc/12/57/02/277125702.db2.gz KBXKOPPVQNWHOL-INIZCTEOSA-N 1 0 260.381 1.983 40 0 CDABRO COC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC[NH2+]CC1 ZINC000071257593 277162744 /nfs/dbraw/zinc/16/27/44/277162744.db2.gz JFQIIKKOUBZODG-UHFFFAOYSA-N 1 0 275.308 1.041 40 0 CDABRO CO[C@@H]1CCN(C(=O)c2ccoc2C)[C@@H](C[NH3+])C1 ZINC000161069034 277291700 /nfs/dbraw/zinc/29/17/00/277291700.db2.gz VIJYKZMVWZALFD-GHMZBOCLSA-N 1 0 252.314 1.166 40 0 CDABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@@H]12 ZINC000248088789 290252819 /nfs/dbraw/zinc/25/28/19/290252819.db2.gz BSRQBGMBKLMXBC-HUUCEWRRSA-N 1 0 294.420 1.294 40 0 CDABRO Cc1cc([C@H]2CCCCN2C(=O)C[NH3+])nc2ccnn21 ZINC000257228111 301421484 /nfs/dbraw/zinc/42/14/84/301421484.db2.gz FSIOTHDZXOQIDW-GFCCVEGCSA-N 1 0 273.340 1.050 40 0 CDABRO C[C@@H](CN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000248179067 334296729 /nfs/dbraw/zinc/29/67/29/334296729.db2.gz XNDXTISCGFIKDH-XOSAIJSUSA-N 1 0 274.408 1.929 40 0 CDABRO O=C1[C@H]2C[N@H+](Cc3ccco3)C[C@H]2CN1c1cncnc1 ZINC000096053648 185074649 /nfs/dbraw/zinc/07/46/49/185074649.db2.gz RDMWLIQJCHKTBK-FZMZJTMJSA-N 1 0 284.319 1.164 40 0 CDABRO O=C(CC1CC1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]2CCCO[C@H]12 ZINC000096057133 185077018 /nfs/dbraw/zinc/07/70/18/185077018.db2.gz ANQURRRVFRUTCW-UXLLHSPISA-N 1 0 292.423 1.792 40 0 CDABRO C[NH+](C)C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 ZINC000585095182 342211340 /nfs/dbraw/zinc/21/13/40/342211340.db2.gz ILLAHJXWZSMAAZ-ZDUSSCGKSA-N 1 0 262.357 1.128 40 0 CDABRO Cc1cnn(C)c1C[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC000585282101 342258488 /nfs/dbraw/zinc/25/84/88/342258488.db2.gz AJDVZTMUFUFLOF-AWEZNQCLSA-N 1 0 263.341 1.400 40 0 CDABRO COCC1CC[NH+](CN2CCSC2=S)CC1 ZINC000079002261 362126239 /nfs/dbraw/zinc/12/62/39/362126239.db2.gz VVWHKNHJTDOPMG-UHFFFAOYSA-N 1 0 260.428 1.636 40 0 CDABRO COC[C@H]1C[N@H+](C)CC12CCN(c1nnc(C)s1)CC2 ZINC000248124863 362152626 /nfs/dbraw/zinc/15/26/26/362152626.db2.gz LILGVSNIBNKJER-GFCCVEGCSA-N 1 0 296.440 1.641 40 0 CDABRO O=C(Nc1ccccc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252421851 362378736 /nfs/dbraw/zinc/37/87/36/362378736.db2.gz ZWVZWYPSMWEGGY-VROVMSAKSA-N 1 0 251.717 1.679 40 0 CDABRO CN1C(=O)C2(C[C@H]1Cc1ccc(F)cc1)CC[NH2+]CC2 ZINC000257198105 362576379 /nfs/dbraw/zinc/57/63/79/362576379.db2.gz STVDBGYSDZELEX-CQSZACIVSA-N 1 0 276.355 1.969 40 0 CDABRO CCOc1cc(N2CCC[C@@H](C[NH3+])C2)nc(SC)n1 ZINC000079439611 136509542 /nfs/dbraw/zinc/50/95/42/136509542.db2.gz XIYLHEVBXMRLET-JTQLQIEISA-N 1 0 282.413 1.772 40 0 CDABRO CO[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089223625 179757522 /nfs/dbraw/zinc/75/75/22/179757522.db2.gz HCUGBUFSXPXVQD-RYUDHWBXSA-N 1 0 272.389 1.868 40 0 CDABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]12)N1CCCC1 ZINC000107253900 186164699 /nfs/dbraw/zinc/16/46/99/186164699.db2.gz OPPPDJRURFWYAZ-MUJYYYPQSA-N 1 0 285.391 1.772 40 0 CDABRO O=C1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)N1c1cncnc1 ZINC000107800223 186192026 /nfs/dbraw/zinc/19/20/26/186192026.db2.gz OHUPWUWRLUWPMV-ZIAGYGMSSA-N 1 0 284.319 1.449 40 0 CDABRO Cn1ccnc1-c1cnc(C2CC[NH+](C)CC2)cn1 ZINC000257297314 282739010 /nfs/dbraw/zinc/73/90/10/282739010.db2.gz RGSVZXCZFXXSGC-UHFFFAOYSA-N 1 0 257.341 1.686 40 0 CDABRO CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000002694391 355979264 /nfs/dbraw/zinc/97/92/64/355979264.db2.gz MPRBWVAUDNNFCX-UONOGXRCSA-N 1 0 281.396 1.910 40 0 CDABRO COCC[NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000035311472 356067865 /nfs/dbraw/zinc/06/78/65/356067865.db2.gz JEWDYAOIPTXJTK-UHFFFAOYSA-N 1 0 291.395 1.851 40 0 CDABRO COC(=O)[C@H]1[C@@H]2CCC[N@@H+]2C[C@@]12c1ccccc1NC2=O ZINC000036584755 356244475 /nfs/dbraw/zinc/24/44/75/356244475.db2.gz SACUHBGXWYEFEY-WOSRLPQWSA-N 1 0 286.331 1.144 40 0 CDABRO O=C(CC1CC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000019488261 356487944 /nfs/dbraw/zinc/48/79/44/356487944.db2.gz DGAUCMSVBIFZNU-UHFFFAOYSA-N 1 0 287.407 1.725 40 0 CDABRO Cc1cccc(Cc2nsc(N3CC[NH2+]CC3)n2)c1 ZINC000035954938 356853103 /nfs/dbraw/zinc/85/31/03/356853103.db2.gz ZHFYATNNFBCYAM-UHFFFAOYSA-N 1 0 274.393 1.847 40 0 CDABRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000073743352 356933602 /nfs/dbraw/zinc/93/36/02/356933602.db2.gz MYUXPWRTXWZVIC-UHFFFAOYSA-N 1 0 293.367 1.090 40 0 CDABRO CN(C(=O)C[NH3+])[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079390835 356988073 /nfs/dbraw/zinc/98/80/73/356988073.db2.gz LADUAHKPGKUSMG-QWRGUYRKSA-N 1 0 285.388 1.239 40 0 CDABRO [NH3+]CCO[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079390654 356988217 /nfs/dbraw/zinc/98/82/17/356988217.db2.gz XVKZNEHCHAVVLN-AWEZNQCLSA-N 1 0 278.352 1.763 40 0 CDABRO CCN(C[C@@H]1CCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408420 356992253 /nfs/dbraw/zinc/99/22/53/356992253.db2.gz HROXEUBMOMASTI-LBPRGKRZSA-N 1 0 271.405 1.667 40 0 CDABRO CN(C(=O)OCc1ccccc1)[C@H]1CCCN(CC[NH3+])C1 ZINC000079411465 356993248 /nfs/dbraw/zinc/99/32/48/356993248.db2.gz UTJVYNHSZGVMRD-HNNXBMFYSA-N 1 0 291.395 1.678 40 0 CDABRO [NH3+]CCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411407 356993859 /nfs/dbraw/zinc/99/38/59/356993859.db2.gz YZUJNHJWSMQTKT-OAHLLOKOSA-N 1 0 291.395 1.584 40 0 CDABRO CC[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415232 356994295 /nfs/dbraw/zinc/99/42/95/356994295.db2.gz MNGJTWBDSLUSIZ-AWEZNQCLSA-N 1 0 261.369 1.068 40 0 CDABRO C[C@H]([NH3+])C(=O)N(Cc1cnc(Cl)s1)C1CC1 ZINC000079422117 356996772 /nfs/dbraw/zinc/99/67/72/356996772.db2.gz ATLQKQVRZJDXEL-LURJTMIESA-N 1 0 259.762 1.635 40 0 CDABRO Cn1c(C2CCN(C(=O)C[NH3+])CC2)cc2ccccc21 ZINC000095098049 357220574 /nfs/dbraw/zinc/22/05/74/357220574.db2.gz BNBYNPIJBGESGV-UHFFFAOYSA-N 1 0 271.364 1.843 40 0 CDABRO COc1ccc(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000027931977 357276235 /nfs/dbraw/zinc/27/62/35/357276235.db2.gz RDIRRJSJANXWES-AWEZNQCLSA-N 1 0 274.364 1.544 40 0 CDABRO NC(=[NH2+])c1c(F)cccc1I ZINC000199760000 358090475 /nfs/dbraw/zinc/09/04/75/358090475.db2.gz CZSUJNQISCMCNK-UHFFFAOYSA-N 1 0 264.041 1.714 40 0 CDABRO COc1cc(OC)nc(NC[C@@H]([NH3+])c2ccccc2)n1 ZINC000131303768 358325592 /nfs/dbraw/zinc/32/55/92/358325592.db2.gz BBZUDZGXVUWFBA-LLVKDONJSA-N 1 0 274.324 1.606 40 0 CDABRO C[NH+](C)Cc1cnc2n1CCN(C(=O)c1ccco1)CC2 ZINC000096067867 358707808 /nfs/dbraw/zinc/70/78/08/358707808.db2.gz VJXIJGIPMGZHSN-UHFFFAOYSA-N 1 0 288.351 1.236 40 0 CDABRO Cc1cccc(C[NH+]2CCC3(CCNC3=O)CC2)n1 ZINC000096157707 358709963 /nfs/dbraw/zinc/70/99/63/358709963.db2.gz YORUOFSPUJHAAN-UHFFFAOYSA-N 1 0 259.353 1.492 40 0 CDABRO C[NH+](C)CCO[C@H]1CN(Cc2ccoc2)[C@@H]2COC[C@H]12 ZINC000096184984 358713827 /nfs/dbraw/zinc/71/38/27/358713827.db2.gz TYOTVWDQLRXSSH-ZNMIVQPWSA-N 1 0 280.368 1.057 40 0 CDABRO O[C@H]1CC[N@H+](C[C@@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200366 358718013 /nfs/dbraw/zinc/71/80/13/358718013.db2.gz LZKVVOHGYNJTET-JYJNAYRXSA-N 1 0 261.365 1.701 40 0 CDABRO C[NH+](C)C[C@H]1CCC[C@]2(CCN(C(=O)c3ccoc3)C2)O1 ZINC000096209245 358720785 /nfs/dbraw/zinc/72/07/85/358720785.db2.gz BDWCZWAKRGITDF-GDBMZVCRSA-N 1 0 292.379 1.995 40 0 CDABRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000096248675 358726356 /nfs/dbraw/zinc/72/63/56/358726356.db2.gz DNQOIROCCFIRFG-CABCVRRESA-N 1 0 262.353 1.210 40 0 CDABRO c1cnc(NCc2n[nH]c3c2CC[N@H+](CC2CC2)C3)nc1 ZINC000096255863 358728798 /nfs/dbraw/zinc/72/87/98/358728798.db2.gz KKBPBSYQWZIZMY-UHFFFAOYSA-N 1 0 284.367 1.580 40 0 CDABRO CCOc1ncnc2c1CC[N@@H+]([C@@H]1CCOC1)CC2 ZINC000096255624 358729065 /nfs/dbraw/zinc/72/90/65/358729065.db2.gz HYWBIHHQCXNICM-LLVKDONJSA-N 1 0 263.341 1.065 40 0 CDABRO C[N@@H+]1CCC[C@@]2(CN(C(=O)C3CCCCC3)CCO2)C1 ZINC000096268589 358730872 /nfs/dbraw/zinc/73/08/72/358730872.db2.gz PQAYDGUOERBNSR-INIZCTEOSA-N 1 0 280.412 1.890 40 0 CDABRO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000037573108 358775481 /nfs/dbraw/zinc/77/54/81/358775481.db2.gz NPEJWHKGLBNLGW-UHFFFAOYSA-N 1 0 256.371 1.435 40 0 CDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1C[NH3+] ZINC000218556251 359057962 /nfs/dbraw/zinc/05/79/62/359057962.db2.gz SIXQGMGVEFVBGH-WOPDTQHZSA-N 1 0 273.785 1.815 40 0 CDABRO CCOC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000031666613 359641196 /nfs/dbraw/zinc/64/11/96/359641196.db2.gz MQCDIELPAMDKKB-OAHLLOKOSA-N 1 0 264.369 1.206 40 0 CDABRO CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C1 ZINC000514289243 360125388 /nfs/dbraw/zinc/12/53/88/360125388.db2.gz KCHOENFMINYOEQ-JKSUJKDBSA-N 1 0 293.455 1.000 40 0 biogenic,in-vitro CDABRO O[C@@H](C[NH2+]C1CC1)c1ncccc1Br ZINC000217530388 364044035 /nfs/dbraw/zinc/04/40/35/364044035.db2.gz LYDKFXBAHAKAOP-VIFPVBQESA-N 1 0 257.131 1.630 40 0 CDABRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=[NH2+])C2)cc1 ZINC000203599250 364848034 /nfs/dbraw/zinc/84/80/34/364848034.db2.gz LYDNYLCXJCPWLV-SNVBAGLBSA-N 1 0 297.380 1.032 40 0 CDABRO CS[C@H]1CCC[C@H]1[N@H+](C)CC(=O)NCc1cccnc1 ZINC000076146343 367003760 /nfs/dbraw/zinc/00/37/60/367003760.db2.gz DWXKTPNKHXATGG-KGLIPLIRSA-N 1 0 293.436 1.914 40 0 CDABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000026439567 296122325 /nfs/dbraw/zinc/12/23/25/296122325.db2.gz CXABUZLGGVHQRG-MGPQQGTHSA-N 1 0 269.433 1.706 40 0 CDABRO Cn1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000212045299 376207147 /nfs/dbraw/zinc/20/71/47/376207147.db2.gz GZYMBJGNCRHUEQ-OAHLLOKOSA-N 1 0 256.353 1.567 40 0 CDABRO O=C(NC[C@@H]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000225450548 374427670 /nfs/dbraw/zinc/42/76/70/374427670.db2.gz DYNPSEBREBFIRM-IUODEOHRSA-N 1 0 258.365 1.660 40 0 CDABRO O=S(=O)(c1cc(F)c(F)cc1F)N1CCC[NH2+]CC1 ZINC000225477771 374484012 /nfs/dbraw/zinc/48/40/12/374484012.db2.gz RZOBPGRVKCJTSD-UHFFFAOYSA-N 1 0 294.298 1.088 40 0 CDABRO O=C1c2ccccc2C(=O)N1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000019626129 374763903 /nfs/dbraw/zinc/76/39/03/374763903.db2.gz SBFUVEAAOKVZSG-OAHLLOKOSA-N 1 0 296.326 1.563 40 0 CDABRO c1cncc(OC[C@@H]2COCCC23CC[NH2+]CC3)c1 ZINC000306131261 374970184 /nfs/dbraw/zinc/97/01/84/374970184.db2.gz JZJYOVYDUYBAKF-ZDUSSCGKSA-N 1 0 262.353 1.867 40 0 CDABRO CN1CCN(C)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306127332 374967452 /nfs/dbraw/zinc/96/74/52/374967452.db2.gz FWBADEJYUGWBLQ-OAHLLOKOSA-N 1 0 299.422 1.853 40 0 CDABRO C[NH2+]CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000225635470 375175479 /nfs/dbraw/zinc/17/54/79/375175479.db2.gz AMWHYKADSBYIRT-ZDUSSCGKSA-N 1 0 256.296 1.998 40 0 CDABRO CC(C)Cn1cc(C[NH2+]Cc2cnn(CCF)c2)cn1 ZINC000256050671 190003025 /nfs/dbraw/zinc/00/30/25/190003025.db2.gz GBMHXFVUKIXVCP-UHFFFAOYSA-N 1 0 279.363 1.995 40 0 CDABRO COc1ccc(-c2ccc3nnc([C@@H](C)[NH3+])n3n2)cc1OC ZINC000217554857 375671642 /nfs/dbraw/zinc/67/16/42/375671642.db2.gz UCVHKBVNTNCPPD-SECBINFHSA-N 1 0 299.334 1.828 40 0 CDABRO O=C(c1cccs1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000225626932 375679384 /nfs/dbraw/zinc/67/93/84/375679384.db2.gz YJDPMDJMFQQMBR-GFCCVEGCSA-N 1 0 280.393 1.419 40 0 CDABRO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257253012 190020537 /nfs/dbraw/zinc/02/05/37/190020537.db2.gz JXFZUYAFAUABJV-GFCCVEGCSA-N 1 0 259.357 1.896 40 0 CDABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](C)C2)nc(C)n1 ZINC000257236878 190017750 /nfs/dbraw/zinc/01/77/50/190017750.db2.gz HEDVNPXRPYOCQE-GFCCVEGCSA-N 1 0 276.384 1.734 40 0 CDABRO c1cnc(Nc2cc(CC3CC[NH2+]CC3)ncn2)cn1 ZINC000257303188 190030382 /nfs/dbraw/zinc/03/03/82/190030382.db2.gz SGDVRNLYLKTHRM-UHFFFAOYSA-N 1 0 270.340 1.552 40 0 CDABRO CCOCC[NH+]1CCC(c2nccnc2CN(C)C)CC1 ZINC000257344593 190037634 /nfs/dbraw/zinc/03/76/34/190037634.db2.gz ZXYGRWXSUSZEOW-UHFFFAOYSA-N 1 0 292.427 1.754 40 0 CDABRO COc1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000063527607 378303187 /nfs/dbraw/zinc/30/31/87/378303187.db2.gz RKFJSDNYIQQSQM-BETUJISGSA-N 1 0 260.337 1.329 40 0 CDABRO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000011967535 285037788 /nfs/dbraw/zinc/03/77/88/285037788.db2.gz XSRMKMOENOZYAO-JTQLQIEISA-N 1 0 257.330 1.599 40 0 CDABRO O=C(NCC1CC1)[C@]12COC[C@H]1C[N@H+](Cc1ccoc1)C2 ZINC000096206322 256823785 /nfs/dbraw/zinc/82/37/85/256823785.db2.gz UMFZVDMIBCCJDD-GDBMZVCRSA-N 1 0 290.363 1.254 40 0 CDABRO CN(C)c1ncc2c(cc([C@H]3CCC[NH2+]C3)[nH]c2=O)n1 ZINC000019585690 390227918 /nfs/dbraw/zinc/22/79/18/390227918.db2.gz PNWCDAJQQNMTOE-VIFPVBQESA-N 1 0 273.340 1.263 40 0 CDABRO CC[NH+](CC)CCNc1nc(Cl)nc2c1cnn2C ZINC000001562373 169714392 /nfs/dbraw/zinc/71/43/92/169714392.db2.gz DPGBZILSLRHFIL-UHFFFAOYSA-N 1 0 282.779 1.770 40 0 CDABRO Cc1nc(N2CC[NH2+]CC2)ccc1[C@H](O)c1ccccc1 ZINC000072224624 390624820 /nfs/dbraw/zinc/62/48/20/390624820.db2.gz MSAZOEASBUKZDX-QGZVFWFLSA-N 1 0 283.375 1.881 40 0 CDABRO O=C(c1ccccc1Cl)N1CCOC2(CC[NH2+]CC2)C1 ZINC000096157236 390913290 /nfs/dbraw/zinc/91/32/90/390913290.db2.gz FBJVFGBWSGTBQV-UHFFFAOYSA-N 1 0 294.782 1.935 40 0 CDABRO CCNc1ncc(C[NH2+]Cc2ccc3c(c2)OCO3)cn1 ZINC000062717539 391570763 /nfs/dbraw/zinc/57/07/63/391570763.db2.gz CNPVHXNTPXYDPA-UHFFFAOYSA-N 1 0 286.335 1.927 40 0 CDABRO CS(=O)(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224663810 130804102 /nfs/dbraw/zinc/80/41/02/130804102.db2.gz YVGTUIVRLGGHJR-UHFFFAOYSA-N 1 0 282.409 1.722 40 0 CDABRO CS[C@H]1CCC[C@H]1[N@H+](C)CC(=O)N1CCOCC1 ZINC000076147203 392550656 /nfs/dbraw/zinc/55/06/56/392550656.db2.gz PRPJFNRITHLYGP-NEPJUHHUSA-N 1 0 272.414 1.061 40 0 CDABRO O=C1O[C@]2(CN1c1ccc(Cl)cc1)C[NH2+]CCOC2 ZINC000257242229 392978399 /nfs/dbraw/zinc/97/83/99/392978399.db2.gz IBPFLVNZESBPCE-ZDUSSCGKSA-N 1 0 282.727 1.655 40 0 CDABRO CCCC[C@]1(C(=O)OCC)C[C@H](SC(N)=[NH2+])OC1=O ZINC000004867215 170033178 /nfs/dbraw/zinc/03/31/78/170033178.db2.gz VQUJWEPUDFTPCU-QPUJVOFHSA-N 1 0 288.369 1.626 40 0 CDABRO CCOCCC[NH2+]CC(=O)Nc1ccccc1F ZINC000004894707 170037446 /nfs/dbraw/zinc/03/74/46/170037446.db2.gz WDKKHXYJAYHUIV-UHFFFAOYSA-N 1 0 254.305 1.780 40 0 CDABRO CCOC(=O)C1=C(O)CC[N@@H+](C2CCCCC2)C1 ZINC000005052209 170061696 /nfs/dbraw/zinc/06/16/96/170061696.db2.gz BWZZQXMAXGUYQV-GFCCVEGCSA-N 1 0 253.342 1.773 40 0 CDABRO CC[NH+](CC)C[C@H](O)COC(=O)C1(OC)CCCCC1 ZINC000005453573 170100625 /nfs/dbraw/zinc/10/06/25/170100625.db2.gz ZUCOQYREBAKVJN-ZDUSSCGKSA-N 1 0 287.400 1.582 40 0 CDABRO CC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OCC)c1 ZINC000006497322 170207409 /nfs/dbraw/zinc/20/74/09/170207409.db2.gz WUDSCCHDONBILG-UHFFFAOYSA-N 1 0 286.759 1.712 40 0 CDABRO COc1ccc(OC)c([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000022162132 171364060 /nfs/dbraw/zinc/36/40/60/171364060.db2.gz QTTXXVGVYBTEEU-SLEUVZQESA-N 1 0 294.395 1.813 40 0 CDABRO COc1ccc([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022174872 171369869 /nfs/dbraw/zinc/36/98/69/171369869.db2.gz SDSLHHOEKIAOFX-SLEUVZQESA-N 1 0 264.369 1.804 40 0 CDABRO CCN(CC)CC[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 ZINC000022586302 171393444 /nfs/dbraw/zinc/39/34/44/171393444.db2.gz RWJXPEUSNOGBLG-AWEZNQCLSA-N 1 0 269.433 1.565 40 0 CDABRO C[C@@H](CO)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043325466 175006886 /nfs/dbraw/zinc/00/68/86/175006886.db2.gz HYLJHRPCOVNZQQ-WDEREUQCSA-N 1 0 258.362 1.356 40 0 CDABRO C[C@H](C[NH2+]CCCN1CCOCC1)C(=O)OC(C)(C)C ZINC000047219061 175404892 /nfs/dbraw/zinc/40/48/92/175404892.db2.gz JBJFBZHMKBAIFI-CYBMUJFWSA-N 1 0 286.416 1.276 40 0 CDABRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000070799032 176006049 /nfs/dbraw/zinc/00/60/49/176006049.db2.gz MJENJJWQCROYFZ-QMMMGPOBSA-N 1 0 286.173 1.459 40 0 CDABRO CCN(CC)c1nc(C)cc(C(=O)NCCC[NH+](C)C)n1 ZINC000072240401 176348574 /nfs/dbraw/zinc/34/85/74/176348574.db2.gz SVEQBXHJWFNJDB-UHFFFAOYSA-N 1 0 293.415 1.313 40 0 CDABRO CNC(=O)[C@@]1(CCCc2ccncc2)CCCC[NH2+]1 ZINC000072343796 176372267 /nfs/dbraw/zinc/37/22/67/176372267.db2.gz AKOOLVZGIURLRB-HNNXBMFYSA-N 1 0 261.369 1.663 40 0 CDABRO OCC[N@@H+]1CCC[C@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000072361628 176377424 /nfs/dbraw/zinc/37/74/24/176377424.db2.gz DINJBUVFGRUTJQ-ZDUSSCGKSA-N 1 0 299.378 1.787 40 0 CDABRO Cn1ccnc1CNc1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072365426 176380691 /nfs/dbraw/zinc/38/06/91/176380691.db2.gz YILAZSLNWVJNGD-LBPRGKRZSA-N 1 0 286.383 1.631 40 0 CDABRO Cn1ccnc1CNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072365711 176380939 /nfs/dbraw/zinc/38/09/39/176380939.db2.gz KCVWOKVMDIYQMN-GFCCVEGCSA-N 1 0 299.378 1.212 40 0 CDABRO Cc1nc(CCC(N)=O)cc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072366369 176381171 /nfs/dbraw/zinc/38/11/71/176381171.db2.gz VVSIZUPTTOQHOA-ZDUSSCGKSA-N 1 0 290.411 1.791 40 0 CDABRO C[N@@H+]1CCC[C@@H]1c1cncc(Nc2cnccn2)n1 ZINC000072376201 176385194 /nfs/dbraw/zinc/38/51/94/176385194.db2.gz AUCUMDCDVMXVHW-LLVKDONJSA-N 1 0 256.313 1.777 40 0 CDABRO c1ccc(CNc2cncc(C3CC[NH2+]CC3)n2)nc1 ZINC000072386418 176391621 /nfs/dbraw/zinc/39/16/21/176391621.db2.gz PWRILMKLAUVASU-UHFFFAOYSA-N 1 0 269.352 1.951 40 0 CDABRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(C2CC2)nn1C ZINC000072398013 176395961 /nfs/dbraw/zinc/39/59/61/176395961.db2.gz GUQDECNIGPKIER-UHFFFAOYSA-N 1 0 290.411 1.855 40 0 CDABRO CC(C)[N@H+](CCO)Cc1ccc2c(c1)OCCO2 ZINC000079421381 177487871 /nfs/dbraw/zinc/48/78/71/177487871.db2.gz STPVDXZIZYEWGB-UHFFFAOYSA-N 1 0 251.326 1.661 40 0 CDABRO CCSc1ncc(C[NH2+]CCCCCO)cn1 ZINC000062717330 262298947 /nfs/dbraw/zinc/29/89/47/262298947.db2.gz XRRJBGOAQGFTSN-UHFFFAOYSA-N 1 0 255.387 1.841 40 0 CDABRO C[C@@H]1O[C@@H](O[C@@H]2CCCc3ccccc32)C[C@@H]([NH3+])[C@@H]1O ZINC000005208946 274422963 /nfs/dbraw/zinc/42/29/63/274422963.db2.gz GFJVGEMINSLVKX-AHMITGRASA-N 1 0 277.364 1.904 40 0 CDABRO Cc1cccc(NC(=S)NC2CC[NH+](C)CC2)n1 ZINC000063144904 274795098 /nfs/dbraw/zinc/79/50/98/274795098.db2.gz NAGVWXQJMRFORH-UHFFFAOYSA-N 1 0 264.398 1.771 40 0 CDABRO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)C[NH2+]CC4)c(C)o1 ZINC000100226872 278618612 /nfs/dbraw/zinc/61/86/12/278618612.db2.gz NUUXEWPQMYGPAI-UHFFFAOYSA-N 1 0 284.319 1.957 40 0 CDABRO C[C@H]1[C@@H]([NH3+])C(=O)N1c1cccc(Br)c1 ZINC000225776650 280098755 /nfs/dbraw/zinc/09/87/55/280098755.db2.gz MTVHDCFSVLPWIQ-IMTBSYHQSA-N 1 0 255.115 1.512 40 0 CDABRO CCCNc1ncc(C[NH2+]CCOc2ccccn2)cn1 ZINC000062717731 333176143 /nfs/dbraw/zinc/17/61/43/333176143.db2.gz CCELBOMJMPEJNA-UHFFFAOYSA-N 1 0 287.367 1.862 40 0 CDABRO C[NH+](C)[C@H]1CCCC[C@@H]1Oc1nccn2nccc12 ZINC000585651646 1160096169 /nfs/dbraw/zinc/09/61/69/1160096169.db2.gz GASWTLBEEMWSDV-AAEUAGOBSA-N 1 0 260.341 1.981 40 0 CDABRO C[NH+](C)C[C@@]1(O)CCN(c2ncncc2-c2ccccc2)C1 ZINC000895010878 619198617 /nfs/dbraw/zinc/19/86/17/619198617.db2.gz XHJNFKSJMWHCOB-KRWDZBQOSA-N 1 0 298.390 1.646 40 0 CDABRO COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cnn(C)c2)O1 ZINC000096056377 342451592 /nfs/dbraw/zinc/45/15/92/342451592.db2.gz MNWXOHBJSBIHOU-MGPQQGTHSA-N 1 0 265.357 1.188 40 0 CDABRO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H]2CCOC2)cn1 ZINC000096184631 342557876 /nfs/dbraw/zinc/55/78/76/342557876.db2.gz WBWFCBSQCFUTSX-IMJJTQAJSA-N 1 0 290.411 1.105 40 0 CDABRO Cn1cc2c(n1)[C@H](C[NH2+]Cc1ccc(F)cc1)OCC2 ZINC000096059684 185080527 /nfs/dbraw/zinc/08/05/27/185080527.db2.gz HRISJGUHCDCJDH-AWEZNQCLSA-N 1 0 275.327 1.963 40 0 CDABRO COCCn1cc2c(n1)[C@@H](C[NH2+]Cc1ccco1)OCC2 ZINC000096059693 185080537 /nfs/dbraw/zinc/08/05/37/185080537.db2.gz BGOLHSDQCBKWRZ-CQSZACIVSA-N 1 0 291.351 1.526 40 0 CDABRO C[NH+](C)C[C@H]1CO[C@@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000096078528 185089235 /nfs/dbraw/zinc/08/92/35/185089235.db2.gz WBZVGICNINLORA-JKSUJKDBSA-N 1 0 294.395 1.449 40 0 CDABRO CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccccn2)C1 ZINC000096083190 185093051 /nfs/dbraw/zinc/09/30/51/185093051.db2.gz QHDKNMBQTXBXOK-NWANDNLSSA-N 1 0 289.379 1.149 40 0 CDABRO c1cnc(N2C[C@@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC000096110662 185101021 /nfs/dbraw/zinc/10/10/21/185101021.db2.gz SYONVFYXOKCHRI-GJZGRUSLSA-N 1 0 281.363 1.440 40 0 CDABRO COCC[N@@H+]1CCC[C@H](c2cncc(-c3cc[nH]n3)n2)C1 ZINC000585177422 342232380 /nfs/dbraw/zinc/23/23/80/342232380.db2.gz IRVCOPMRHSVGHH-LBPRGKRZSA-N 1 0 287.367 1.693 40 0 CDABRO C[C@@H]1CN(c2cncc(C3CC[NH2+]CC3)n2)C(=O)O1 ZINC000585178815 342232598 /nfs/dbraw/zinc/23/25/98/342232598.db2.gz XMWCNPGKHOJYEV-SECBINFHSA-N 1 0 262.313 1.289 40 0 CDABRO O[C@H]1CN(Cc2cc[nH]n2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585279719 342257654 /nfs/dbraw/zinc/25/76/54/342257654.db2.gz XZWCNHLHLOXRRA-CJNGLKHVSA-N 1 0 289.354 1.974 40 0 CDABRO Cc1ccc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3CC2)nn1 ZINC000248053830 362146969 /nfs/dbraw/zinc/14/69/69/362146969.db2.gz RUAFSQMCKDJSHL-STQMWFEESA-N 1 0 262.357 1.084 40 0 CDABRO CC[N@@H+]1CCCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000079333118 362163310 /nfs/dbraw/zinc/16/33/10/362163310.db2.gz ZTARSYZIUBHVBV-UHFFFAOYSA-N 1 0 276.384 1.315 40 0 CDABRO C[C@H]1CN(c2cncc(C3CC[NH+](C)CC3)n2)C(=O)O1 ZINC000257293127 362583678 /nfs/dbraw/zinc/58/36/78/362583678.db2.gz QOGOJLLQLDLIQF-JTQLQIEISA-N 1 0 276.340 1.631 40 0 CDABRO Nc1cc(CC[C@@H]2CN(c3cnccn3)CCO2)cc[nH+]1 ZINC000257320803 362585670 /nfs/dbraw/zinc/58/56/70/362585670.db2.gz VYSYCQUXKRRWPK-CYBMUJFWSA-N 1 0 285.351 1.292 40 0 CDABRO Nc1cc(CC[C@@H]2CN(c3ncccn3)CCO2)cc[nH+]1 ZINC000257324005 362585793 /nfs/dbraw/zinc/58/57/93/362585793.db2.gz WMTUWUNTHJUXNF-CYBMUJFWSA-N 1 0 285.351 1.292 40 0 CDABRO Cc1nccc(CN2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000086177594 179246631 /nfs/dbraw/zinc/24/66/31/179246631.db2.gz SDJNAZZYQAAHLC-INIZCTEOSA-N 1 0 268.364 1.932 40 0 CDABRO C[NH+]1CCC(C(=O)NCc2ccccc2-n2ccnc2)CC1 ZINC000091211698 180112453 /nfs/dbraw/zinc/11/24/53/180112453.db2.gz DHVRTNVTMAQOKU-UHFFFAOYSA-N 1 0 298.390 1.830 40 0 CDABRO O=C1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccncc2)N1CC1CC1 ZINC000107800106 186191080 /nfs/dbraw/zinc/19/10/80/186191080.db2.gz KOYGPXBKSNQJAG-HUUCEWRRSA-N 1 0 271.364 1.667 40 0 CDABRO Cc1csc(C[NH+]2CCC3(CCCNC3=O)CC2)n1 ZINC000108528469 186220506 /nfs/dbraw/zinc/22/05/06/186220506.db2.gz XAIUJEBVHABQLB-UHFFFAOYSA-N 1 0 279.409 1.944 40 0 CDABRO CN1CCO[C@H]2CC[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000108526672 186221271 /nfs/dbraw/zinc/22/12/71/186221271.db2.gz TUKZVPBNONIPHO-GJZGRUSLSA-N 1 0 264.344 1.731 40 0 CDABRO C[C@H]([C@H](C)[NH2+]C1CCC2(CC1)OCCO2)N1CCOCC1 ZINC000155706550 351400166 /nfs/dbraw/zinc/40/01/66/351400166.db2.gz JHZPFCCMHQWLCZ-UONOGXRCSA-N 1 0 298.427 1.371 40 0 CDABRO COc1ccc(OCc2noc(C3C[NH2+]C3)n2)cc1 ZINC000169676226 188661829 /nfs/dbraw/zinc/66/18/29/188661829.db2.gz KNNSASLOQXTMAU-UHFFFAOYSA-N 1 0 261.281 1.344 40 0 CDABRO O[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019405939 356484558 /nfs/dbraw/zinc/48/45/58/356484558.db2.gz VWYALEMORLXPFX-CQSZACIVSA-N 1 0 270.336 1.495 40 0 CDABRO C[C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)[NH+]1CCCC1 ZINC000019080625 356475114 /nfs/dbraw/zinc/47/51/14/356475114.db2.gz BIPGMGRTUHFZOC-JTQLQIEISA-N 1 0 289.335 1.440 40 0 CDABRO CCc1ncc(C[N@@H+]2CCC[C@@](C)(C(=O)NC)C2)cn1 ZINC000019745943 356499445 /nfs/dbraw/zinc/49/94/45/356499445.db2.gz UYTRBIDPWGCJIV-OAHLLOKOSA-N 1 0 276.384 1.387 40 0 CDABRO [NH3+]CCOC[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390653 356988177 /nfs/dbraw/zinc/98/81/77/356988177.db2.gz OFSZRXCKHLVYBE-CQSZACIVSA-N 1 0 278.352 1.620 40 0 CDABRO CN(CC[NH3+])[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390940 356988427 /nfs/dbraw/zinc/98/84/27/356988427.db2.gz LUVNRPXKJPTWHS-CQSZACIVSA-N 1 0 277.368 1.288 40 0 CDABRO CN(C(=O)C[NH3+])[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079390846 356988494 /nfs/dbraw/zinc/98/84/94/356988494.db2.gz LADUAHKPGKUSMG-WDEREUQCSA-N 1 0 285.388 1.239 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CC[N@H+](CCO)C1 ZINC000079408172 356992091 /nfs/dbraw/zinc/99/20/91/356992091.db2.gz MQNCGLNIDFGQDD-LBPRGKRZSA-N 1 0 270.373 1.453 40 0 CDABRO CN(Cc1ccccc1)C[C@H]1CCCC[N@@H+]1CCO ZINC000079414138 356994128 /nfs/dbraw/zinc/99/41/28/356994128.db2.gz MLAUWXCQBWHGLM-MRXNPFEDSA-N 1 0 262.397 1.965 40 0 CDABRO NC(=[NH2+])[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000079839017 358082050 /nfs/dbraw/zinc/08/20/50/358082050.db2.gz QCUCHJQFGUVWFF-JTQLQIEISA-N 1 0 267.354 1.023 40 0 CDABRO CC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](CC)CC1 ZINC000019500582 358096978 /nfs/dbraw/zinc/09/69/78/358096978.db2.gz KRFCOABNZFWXEI-ZDUSSCGKSA-N 1 0 294.447 1.907 40 0 CDABRO O=c1cc2c(nn1CCc1ccccc1)CC[NH2+]C2 ZINC000063169733 358569807 /nfs/dbraw/zinc/56/98/07/358569807.db2.gz LUIFPKRZFXJHSQ-UHFFFAOYSA-N 1 0 255.321 1.132 40 0 CDABRO COCC(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC000096062000 358707308 /nfs/dbraw/zinc/70/73/08/358707308.db2.gz DMNVKMAQEWZQSV-GFCCVEGCSA-N 1 0 294.399 1.273 40 0 CDABRO CN1c2ccccc2C2(CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000096161105 358711168 /nfs/dbraw/zinc/71/11/68/358711168.db2.gz UDTULECGZPIERD-ZDUSSCGKSA-N 1 0 286.375 1.786 40 0 CDABRO CC(C)C[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC000096187300 358715423 /nfs/dbraw/zinc/71/54/23/358715423.db2.gz RCONGLAXNRDUDW-RBSFLKMASA-N 1 0 296.411 1.818 40 0 CDABRO CO[C@@H]1CC[N@H+](C[C@@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200148 358718246 /nfs/dbraw/zinc/71/82/46/358718246.db2.gz OPHSKPHKPVVZEQ-HRCADAONSA-N 1 0 276.380 1.750 40 0 CDABRO O=C1CCC2(CC[NH+](CCO)CC2)N1Cc1ccccc1 ZINC000096228321 358724124 /nfs/dbraw/zinc/72/41/24/358724124.db2.gz KJHAROFAIISRDY-UHFFFAOYSA-N 1 0 288.391 1.636 40 0 CDABRO Cc1cccc2c(=O)c(NC(=O)NCC[NH+](C)C)c[nH]c12 ZINC000013565888 366478569 /nfs/dbraw/zinc/47/85/69/366478569.db2.gz YUSKSUIVHINPRP-UHFFFAOYSA-N 1 0 288.351 1.932 40 0 CDABRO CCNC(=S)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000223868259 359463566 /nfs/dbraw/zinc/46/35/66/359463566.db2.gz PJGLHCSYCUQZSX-UHFFFAOYSA-N 1 0 279.413 1.140 40 0 CDABRO [NH3+]C[C@@H]1CN(c2ccc(Br)cn2)CCO1 ZINC000041059076 283487765 /nfs/dbraw/zinc/48/77/65/283487765.db2.gz OFTHIGDLPZDMBY-SECBINFHSA-N 1 0 272.146 1.008 40 0 CDABRO CC(C)(C)n1nccc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333329128 205223342 /nfs/dbraw/zinc/22/33/42/205223342.db2.gz OBFLWYUBHKGLKL-LLVKDONJSA-N 1 0 295.387 1.138 40 0 CDABRO CCOc1cc(N2CC[NH2+][C@H](C)C2)nc(SC)n1 ZINC000079439715 374405595 /nfs/dbraw/zinc/40/55/95/374405595.db2.gz UGENQPYGUGLMIZ-SECBINFHSA-N 1 0 268.386 1.395 40 0 CDABRO C[N@H+](CCCCCF)C[C@@H]1CCS(=O)(=O)C1 ZINC000225466673 374466770 /nfs/dbraw/zinc/46/67/70/374466770.db2.gz LXBNTXSYHJIFMI-NSHDSACASA-N 1 0 251.367 1.493 40 0 CDABRO Cn1c(C[NH2+]C[C@H](O)c2ccco2)nc2ccccc21 ZINC000080189855 374872666 /nfs/dbraw/zinc/87/26/66/374872666.db2.gz UHTBAODGHPEKEO-ZDUSSCGKSA-N 1 0 271.320 1.990 40 0 CDABRO O=C(Nc1ccccc1Cl)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000306145072 374972323 /nfs/dbraw/zinc/97/23/23/374972323.db2.gz ZWVZWYPSMWEGGY-AKZRSSKFSA-N 1 0 251.717 1.679 40 0 CDABRO Cn1cc(C[NH2+]Cc2cnn(CC(F)F)c2)cn1 ZINC000256053347 190004984 /nfs/dbraw/zinc/00/49/84/190004984.db2.gz RBYKRLUDXDTIKF-UHFFFAOYSA-N 1 0 255.272 1.172 40 0 CDABRO CCn1cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cn1 ZINC000256055218 190005369 /nfs/dbraw/zinc/00/53/69/190005369.db2.gz ZTYINLLXTXUKTJ-UHFFFAOYSA-N 1 0 287.289 1.952 40 0 CDABRO C[N@H+](C[C@H](O)c1cncc(Br)c1)C1CC1 ZINC000217527471 375663628 /nfs/dbraw/zinc/66/36/28/375663628.db2.gz QMNLGIHFPQRZGT-NSHDSACASA-N 1 0 271.158 1.972 40 0 CDABRO C[C@]12CCCN(C(=O)c3ccc[nH]c3=O)[C@H]1CCCC[NH2+]2 ZINC000257203805 190011416 /nfs/dbraw/zinc/01/14/16/190011416.db2.gz ARSDOAGHPHEGJD-BBRMVZONSA-N 1 0 289.379 1.924 40 0 CDABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2ncc[nH]2)cc1 ZINC000257228422 190016248 /nfs/dbraw/zinc/01/62/48/190016248.db2.gz FTUGYZDHXBSJGP-CQSZACIVSA-N 1 0 272.352 1.565 40 0 CDABRO CC[C@H](C)NC(=O)CCNC(=[NH2+])NCc1ccccc1 ZINC000058329452 375731342 /nfs/dbraw/zinc/73/13/42/375731342.db2.gz HQIJEJREEIOXIJ-LBPRGKRZSA-N 1 0 276.384 1.605 40 0 CDABRO O[C@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@]12CCCO2 ZINC000257231995 190017302 /nfs/dbraw/zinc/01/73/02/190017302.db2.gz GIXXTTABFWQCLU-RDJZCZTQSA-N 1 0 284.359 1.961 40 0 CDABRO C[NH+]1CCC(Cc2nccnc2-c2ncc[nH]2)CC1 ZINC000257240758 190018874 /nfs/dbraw/zinc/01/88/74/190018874.db2.gz HVBSOMSGEUDHBR-UHFFFAOYSA-N 1 0 257.341 1.751 40 0 CDABRO Cc1nc[nH]c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257251010 190019735 /nfs/dbraw/zinc/01/97/35/190019735.db2.gz JPAFUHPQEBEJJI-HNNXBMFYSA-N 1 0 256.353 1.865 40 0 CDABRO Cn1nccc1-c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257280241 190025787 /nfs/dbraw/zinc/02/57/87/190025787.db2.gz OKBABXXUQRVQFK-LLVKDONJSA-N 1 0 257.341 1.686 40 0 CDABRO CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC000257278547 190025865 /nfs/dbraw/zinc/02/58/65/190025865.db2.gz OCRCITCQFRSYEF-CQSZACIVSA-N 1 0 290.411 1.420 40 0 CDABRO O=C(C[N@@H+]1CCC[C@@H](Cc2cc[nH]n2)C1)N1CCCC1 ZINC000257282562 190026173 /nfs/dbraw/zinc/02/61/73/190026173.db2.gz OUGQBGFHPUMKDS-ZDUSSCGKSA-N 1 0 276.384 1.287 40 0 CDABRO CCn1nccc1-c1cnc(C[C@H]2CC[NH2+]C2)cn1 ZINC000257327584 190034781 /nfs/dbraw/zinc/03/47/81/190034781.db2.gz XBYIJECQVDSRGV-LLVKDONJSA-N 1 0 257.341 1.512 40 0 CDABRO OCc1cc(CC2([NH+](CC3CC3)CC3CC3)COC2)no1 ZINC000067897712 377286041 /nfs/dbraw/zinc/28/60/41/377286041.db2.gz JMPMMXCMJZEQTR-UHFFFAOYSA-N 1 0 292.379 1.600 40 0 biogenic,in-vitro CDABRO C[N@@H+]1CCC[C@@]2(CN(Cc3ccccn3)CCO2)C1 ZINC000063527611 378303713 /nfs/dbraw/zinc/30/37/13/378303713.db2.gz WEBPVNWBWXWIQU-HNNXBMFYSA-N 1 0 261.369 1.378 40 0 CDABRO CCOC(=O)[C@@H](CN)[C@@](C)(CC)[NH+]1CCCCC1 ZINC000072210441 390618253 /nfs/dbraw/zinc/61/82/53/390618253.db2.gz UNZPUEORNMWUBR-TZMCWYRMSA-N 1 0 256.390 1.779 40 0 CDABRO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(O)C[NH3+] ZINC000072208013 390616093 /nfs/dbraw/zinc/61/60/93/390616093.db2.gz XYWAIRDBVKBBNT-GWCFXTLKSA-N 1 0 258.362 1.486 40 0 CDABRO CC[C@@](O)(C[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207983 390616606 /nfs/dbraw/zinc/61/66/06/390616606.db2.gz XVIIDNBWPFHEFP-ZWNOBZJWSA-N 1 0 258.362 1.486 40 0 CDABRO CN(C)C(=O)N1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1 ZINC000096047962 390912417 /nfs/dbraw/zinc/91/24/17/390912417.db2.gz VQJDDJKSDHBFTI-ZDUSSCGKSA-N 1 0 281.400 1.387 40 0 CDABRO CC[N@H+](Cc1ccc2c(c1)CCO2)[C@H]1CCNC1=O ZINC000442960252 392355331 /nfs/dbraw/zinc/35/53/31/392355331.db2.gz HBNTWOWSYQFRKB-ZDUSSCGKSA-N 1 0 260.337 1.332 40 0 CDABRO Cc1nc(NCC2CC2)nc2c1COC[C@@]21CC[N@@H+](C)C1 ZINC000096080399 398070346 /nfs/dbraw/zinc/07/03/46/398070346.db2.gz NSOZOWPWPDCKQC-INIZCTEOSA-N 1 0 288.395 1.710 40 0 CDABRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccnc1 ZINC000174520659 147946417 /nfs/dbraw/zinc/94/64/17/147946417.db2.gz BSHIXJITHRYPSC-DZGCQCFKSA-N 1 0 273.380 1.882 40 0 CDABRO COCCC[N@@H+]1CCCC12CCN(C(=O)COC)CC2 ZINC000096075273 292350751 /nfs/dbraw/zinc/35/07/51/292350751.db2.gz HKPHSMNGJOOSRL-UHFFFAOYSA-N 1 0 284.400 1.126 40 0 CDABRO C1=C[C@@H]2C[C@H]1[C@@H]1C[N@@H+](CCCN3CCOCC3)C[C@H]21 ZINC000004721593 170004915 /nfs/dbraw/zinc/00/49/15/170004915.db2.gz OGOKAEYVYPCQOA-GEEKYZPCSA-N 1 0 262.397 1.463 40 0 CDABRO CCOC(=O)C[C@@H]([NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000020577662 171256578 /nfs/dbraw/zinc/25/65/78/171256578.db2.gz HAEMIHPDALVYLV-SNVBAGLBSA-N 1 0 283.324 1.665 40 0 CDABRO O=C(NCC1CC[NH+](Cc2ccco2)CC1)NC1CC1 ZINC000038489579 174142500 /nfs/dbraw/zinc/14/25/00/174142500.db2.gz SLQOSNQIIWYJHE-UHFFFAOYSA-N 1 0 277.368 1.953 40 0 CDABRO CS(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874329 175269063 /nfs/dbraw/zinc/26/90/63/175269063.db2.gz VKWAJPFJNQFQNM-UHFFFAOYSA-N 1 0 282.409 1.722 40 0 CDABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc(=O)[nH]1 ZINC000072363785 176377990 /nfs/dbraw/zinc/37/79/90/176377990.db2.gz OVIHZZWBZGSGGM-CQSZACIVSA-N 1 0 284.363 1.853 40 0 CDABRO C[NH+](C)CC[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000072368796 176383543 /nfs/dbraw/zinc/38/35/43/176383543.db2.gz KTSDDHDRGNWAFG-CYBMUJFWSA-N 1 0 297.424 1.434 40 0 CDABRO C[N@@H+]1CCC[C@@H](Cc2cnc(C(=O)NC3CC3)cn2)C1 ZINC000072369334 176384129 /nfs/dbraw/zinc/38/41/29/176384129.db2.gz JAWQYQYPSLJCMC-NSHDSACASA-N 1 0 274.368 1.253 40 0 CDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cc(F)cc(F)c1 ZINC000072397681 176395070 /nfs/dbraw/zinc/39/50/70/176395070.db2.gz WQIPPZZZQOEEBA-WKPIXPDZSA-N 1 0 282.334 1.604 40 0 CDABRO COc1cc(C(=O)N2CC[NH2+][C@H](C)C2)cc(OC)c1OC ZINC000062708163 260236528 /nfs/dbraw/zinc/23/65/28/260236528.db2.gz ZCSWEVCEGLVTTL-SNVBAGLBSA-N 1 0 294.351 1.146 40 0 CDABRO COc1cccc(-c2nn(C)c3c2[C@H]2C[NH2+]C[C@H]2C3)c1 ZINC000306124302 274144211 /nfs/dbraw/zinc/14/42/11/274144211.db2.gz BMGINTJXWRDUEA-YPMHNXCESA-N 1 0 269.348 1.955 40 0 CDABRO CC[NH+](CC)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000017302741 276098242 /nfs/dbraw/zinc/09/82/42/276098242.db2.gz ILZUUOHDKPIIEG-VXGBXAGGSA-N 1 0 250.342 1.279 40 0 CDABRO CC[NH+]1CCC2(CN(CCO)c3ccccc32)CC1 ZINC000096078832 276152437 /nfs/dbraw/zinc/15/24/37/276152437.db2.gz SEOLLCHEOSRANT-UHFFFAOYSA-N 1 0 260.381 1.852 40 0 CDABRO CC(C)(C)OC(=O)N(C1CC1)C1CCN(C(=O)C[NH3+])CC1 ZINC000079409381 278377048 /nfs/dbraw/zinc/37/70/48/278377048.db2.gz IWNDHTLYPMTUMH-UHFFFAOYSA-N 1 0 297.399 1.336 40 0 CDABRO CN(C(=O)C[NH3+])[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178085 288801754 /nfs/dbraw/zinc/80/17/54/288801754.db2.gz RFPRTBTZPXIJMC-PHIMTYICSA-N 1 0 285.388 1.239 40 0 CDABRO Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]CC(C)C)cc1 ZINC000072321688 301838829 /nfs/dbraw/zinc/83/88/29/301838829.db2.gz MSKFYRGGBNZNNJ-KLHDSHLOSA-N 1 0 263.381 1.818 40 0 biogenic,in-vitro CDABRO CCn1cncc1CN(C)CC[NH+]1CCCCC1 ZINC000072398250 523573685 /nfs/dbraw/zinc/57/36/85/523573685.db2.gz NMQNZZISQGXPLZ-UHFFFAOYSA-N 1 0 250.390 1.821 40 0 CDABRO COc1cc(CC(N)=[NH2+])cc(Br)c1O ZINC000228936210 570372964 /nfs/dbraw/zinc/37/29/64/570372964.db2.gz SLRPTIBWCGTTLL-UHFFFAOYSA-N 1 0 259.103 1.642 40 0 CDABRO CC(C)N1CCC[C@@H]([NH2+][C@]23C[C@H]2COC32CCC2)C1=O ZINC000933391723 617413777 /nfs/dbraw/zinc/41/37/77/617413777.db2.gz FYDYLTVDHGCSNN-WOSRLPQWSA-N 1 0 278.396 1.687 40 0 CDABRO CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)C2C[NH3+] ZINC000212591089 1158927291 /nfs/dbraw/zinc/92/72/91/1158927291.db2.gz IFVZWBCWWLEOSY-ZACCUICWSA-N 1 0 256.346 1.075 40 0 CDABRO