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 960942110 /nfs/dbraw/zinc/94/21/10/960942110.db2.gz YHQZHFIZJZQLKP-OAHLLOKOSA-N 1 1 253.325 1.435 40 0 CDABMO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095532900 185007054 /nfs/dbraw/zinc/00/70/54/185007054.db2.gz HTTPYTHCALVFES-KLZNWCGWSA-N 1 1 297.439 1.911 40 0 CDABMO COCCN1CC[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2C1=O ZINC000096054620 185076384 /nfs/dbraw/zinc/07/63/84/185076384.db2.gz IXSRFVUINFNKKR-GJZGRUSLSA-N 1 1 289.379 1.008 40 0 CDABMO O=C(NC1CC1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1 ZINC000096058222 185078612 /nfs/dbraw/zinc/07/86/12/185078612.db2.gz HWHWNRIENGLYHR-NILFDRSVSA-N 1 1 290.363 1.538 40 0 CDABMO O=C(NC1CC1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1 ZINC000096058222 185078613 /nfs/dbraw/zinc/07/86/13/185078613.db2.gz HWHWNRIENGLYHR-NILFDRSVSA-N 1 1 290.363 1.538 40 0 CDABMO Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)CNC(=O)[C@H]3C)oc1C ZINC000096066498 185084150 /nfs/dbraw/zinc/08/41/50/185084150.db2.gz FOEDGDRDHLSRQK-JKOKRWQUSA-N 1 1 262.353 1.710 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccoc1C)CC[C@H]2OC ZINC000096108516 185099438 /nfs/dbraw/zinc/09/94/38/185099438.db2.gz YBQQTLITZGKFGL-RRFJBIMHSA-N 1 1 292.379 1.769 40 0 CDABMO CS(=O)(=O)N1CCC2(C[NH+](Cc3ccccc3)C2)C1 ZINC000585098989 342212217 /nfs/dbraw/zinc/21/22/17/342212217.db2.gz GBQVCRMCXBWMQD-UHFFFAOYSA-N 1 1 280.393 1.154 40 0 CDABMO COCC[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c(C)noc2C)C1 ZINC000585107669 342212976 /nfs/dbraw/zinc/21/29/76/342212976.db2.gz NOGZLSWUBBWLDB-STQMWFEESA-N 1 1 293.367 1.084 40 0 CDABMO CO[C@@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000585276406 342256207 /nfs/dbraw/zinc/25/62/07/342256207.db2.gz OIZPBLMLUIUUMO-OAHLLOKOSA-N 1 1 294.399 1.259 40 0 CDABMO CO[C@@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000585276406 342256208 /nfs/dbraw/zinc/25/62/08/342256208.db2.gz OIZPBLMLUIUUMO-OAHLLOKOSA-N 1 1 294.399 1.259 40 0 CDABMO CNC(=O)C[C@]1(COC)CCC[N@H+]1Cc1cccnc1 ZINC000585277702 342256433 /nfs/dbraw/zinc/25/64/33/342256433.db2.gz XEDQVLDPOWYLGN-HNNXBMFYSA-N 1 1 277.368 1.199 40 0 CDABMO C[C@H]1CN2C[C@H](O)C[C@@H]2C[N@H+]1CC1(O)CCCCCC1 ZINC000585284020 342258631 /nfs/dbraw/zinc/25/86/31/342258631.db2.gz QPLQNPPAKKSBED-RRFJBIMHSA-N 1 1 282.428 1.211 40 0 CDABMO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1CC1(O)CCCCCC1 ZINC000585284020 342258632 /nfs/dbraw/zinc/25/86/32/342258632.db2.gz QPLQNPPAKKSBED-RRFJBIMHSA-N 1 1 282.428 1.211 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1CC1(O)CCCCCC1 ZINC000585284020 342258633 /nfs/dbraw/zinc/25/86/33/342258633.db2.gz QPLQNPPAKKSBED-RRFJBIMHSA-N 1 1 282.428 1.211 40 0 CDABMO O=C(N1CCCC1)N1CC[N@H+]2C[C@@H](OCC3CC3)C[C@H]2C1 ZINC000107746694 186189319 /nfs/dbraw/zinc/18/93/19/186189319.db2.gz PAURGSWULQWVEN-GJZGRUSLSA-N 1 1 293.411 1.387 40 0 CDABMO CN(C)C(=O)[C@H]1C[N@@H+](C[C@@H]2CC=CCC2)[C@@H]2CCO[C@@H]21 ZINC000108529431 186222271 /nfs/dbraw/zinc/22/22/71/186222271.db2.gz VEOOARSKWGVIAZ-LXTVHRRPSA-N 1 1 278.396 1.520 40 0 CDABMO COC(=O)CC[N@@H+]1CCN(Cc2scnc2C)[C@@H](C)C1 ZINC000154740554 188158984 /nfs/dbraw/zinc/15/89/84/188158984.db2.gz MDULNOVNAIRUTJ-NSHDSACASA-N 1 1 297.424 1.521 40 0 CDABMO COC(=O)CC[N@H+]1CCN(Cc2scnc2C)[C@@H](C)C1 ZINC000154740554 188158985 /nfs/dbraw/zinc/15/89/85/188158985.db2.gz MDULNOVNAIRUTJ-NSHDSACASA-N 1 1 297.424 1.521 40 0 CDABMO COC(=O)CCN1CC[N@H+](Cc2scnc2C)[C@@H](C)C1 ZINC000154740554 188158986 /nfs/dbraw/zinc/15/89/86/188158986.db2.gz MDULNOVNAIRUTJ-NSHDSACASA-N 1 1 297.424 1.521 40 0 CDABMO COC(=O)CCN1CC[N@@H+](Cc2scnc2C)[C@@H](C)C1 ZINC000154740554 188158987 /nfs/dbraw/zinc/15/89/87/188158987.db2.gz MDULNOVNAIRUTJ-NSHDSACASA-N 1 1 297.424 1.521 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1F ZINC000004497872 356033061 /nfs/dbraw/zinc/03/30/61/356033061.db2.gz RVOVRCWOQVWGCP-LLVKDONJSA-N 1 1 293.342 1.365 40 0 CDABMO CC(C)CCNC(=O)[C@H]1C[N@@H+](C)Cc2cn(C)nc21 ZINC000019701579 356496155 /nfs/dbraw/zinc/49/61/55/356496155.db2.gz QEYFJVRZXCWMIL-LBPRGKRZSA-N 1 1 264.373 1.111 40 0 CDABMO Cn1nccc1C[N@H+]1CC[C@H](C(=O)NC2CCCC2)C1 ZINC000019747718 356499070 /nfs/dbraw/zinc/49/90/70/356499070.db2.gz IXLJBQOHRCXNJD-LBPRGKRZSA-N 1 1 276.384 1.301 40 0 CDABMO CC[NH+]1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000019934950 356517156 /nfs/dbraw/zinc/51/71/56/356517156.db2.gz FPCIKEASBZDWIS-UHFFFAOYSA-N 1 1 250.317 1.532 40 0 CDABMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079407885 356990910 /nfs/dbraw/zinc/99/09/10/356990910.db2.gz BRWKKMOAWMMRAM-LLVKDONJSA-N 1 1 258.362 1.310 40 0 CDABMO CCCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052815562 357278139 /nfs/dbraw/zinc/27/81/39/357278139.db2.gz DWVJSVNFJYNDMV-UHFFFAOYSA-N 1 1 291.395 1.728 40 0 CDABMO C[N@H+]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000082307828 358158316 /nfs/dbraw/zinc/15/83/16/358158316.db2.gz RGXPNAKKVJCQJJ-LBPRGKRZSA-N 1 1 276.336 1.373 40 0 CDABMO CC(C)[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000072685597 358563959 /nfs/dbraw/zinc/56/39/59/358563959.db2.gz QMOAVJOSEMEHCD-OKILXGFUSA-N 1 1 298.427 1.512 40 0 CDABMO COCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC000096202770 358719347 /nfs/dbraw/zinc/71/93/47/358719347.db2.gz ATEDXVFCVZZIRN-UHFFFAOYSA-N 1 1 294.420 1.819 40 0 CDABMO COCC[N@H+]1CCC[C@]12CCCN(c1ncccn1)C2 ZINC000096203227 358719352 /nfs/dbraw/zinc/71/93/52/358719352.db2.gz SKXTXPRRFDRKPO-HNNXBMFYSA-N 1 1 276.384 1.558 40 0 CDABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)N(C)C)CC2 ZINC000096206119 358720611 /nfs/dbraw/zinc/72/06/11/358720611.db2.gz IRDXQWHATCQTFW-LBPRGKRZSA-N 1 1 269.389 1.101 40 0 CDABMO COC[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)[N@H+]1C ZINC000096207465 358720648 /nfs/dbraw/zinc/72/06/48/358720648.db2.gz OLRQZFOOZLOHFP-OAHLLOKOSA-N 1 1 292.427 1.495 40 0 CDABMO Cc1nc(C[N@@H+]2CC[C@]3(C[C@@H]3C(=O)NC3CC3)C2)cs1 ZINC000096227594 358723323 /nfs/dbraw/zinc/72/33/23/358723323.db2.gz GGTZWWIWQJDTQZ-HIFRSBDPSA-N 1 1 291.420 1.942 40 0 CDABMO Cc1nc(C[N@H+]2CC[C@]3(C[C@@H]3C(=O)NC3CC3)C2)cs1 ZINC000096227594 358723326 /nfs/dbraw/zinc/72/33/26/358723326.db2.gz GGTZWWIWQJDTQZ-HIFRSBDPSA-N 1 1 291.420 1.942 40 0 CDABMO O=C1[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2CN1CC1CC1 ZINC000096245031 358724998 /nfs/dbraw/zinc/72/49/98/358724998.db2.gz JKVPIIBTHOIIQL-KBPBESRZSA-N 1 1 260.337 1.580 40 0 CDABMO COCC[N@H+]1CCc2ncnc(NC(C)C)c2CC1 ZINC000096255539 358728679 /nfs/dbraw/zinc/72/86/79/358728679.db2.gz IPSCKAYXENZZFY-UHFFFAOYSA-N 1 1 264.373 1.344 40 0 CDABMO C[C@@H]1C[NH+](CCNC(=O)CC2(O)CCCCC2)C[C@@H](C)O1 ZINC000072845970 358735601 /nfs/dbraw/zinc/73/56/01/358735601.db2.gz AQLAVQVUXRVWJY-ZIAGYGMSSA-N 1 1 298.427 1.297 40 0 CDABMO CC(=O)O[C@@H]1OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000026896088 359708988 /nfs/dbraw/zinc/70/89/88/359708988.db2.gz OIMDYFXQAQBIGI-GZBFAFLISA-N 1 1 275.304 1.181 40 0 CDABMO CCC1CCC([N@H+](CCO)Cc2ncnn2C)CC1 ZINC000225412503 374325834 /nfs/dbraw/zinc/32/58/34/374325834.db2.gz QGWXYZXAYQMWEC-UHFFFAOYSA-N 1 1 266.389 1.578 40 0 CDABMO CCC1CCC([N@@H+](CCO)Cc2ncnn2C)CC1 ZINC000225412503 374325839 /nfs/dbraw/zinc/32/58/39/374325839.db2.gz QGWXYZXAYQMWEC-UHFFFAOYSA-N 1 1 266.389 1.578 40 0 CDABMO C[N@H+]1CCC[C@@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257215164 190013047 /nfs/dbraw/zinc/01/30/47/190013047.db2.gz COYWILHDSMXMHQ-SNVBAGLBSA-N 1 1 262.313 1.242 40 0 CDABMO C[N@H+]1CCC[C@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257215163 190013175 /nfs/dbraw/zinc/01/31/75/190013175.db2.gz COYWILHDSMXMHQ-JTQLQIEISA-N 1 1 262.313 1.242 40 0 CDABMO Cn1cncc1-c1cncc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000257220163 190014369 /nfs/dbraw/zinc/01/43/69/190014369.db2.gz DJUXJYYIGJLKQC-GFCCVEGCSA-N 1 1 287.367 1.049 40 0 CDABMO CNc1nccnc1C[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257317781 190032566 /nfs/dbraw/zinc/03/25/66/190032566.db2.gz VLCNVWHHILCXEJ-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1nccnc1C[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257317781 190032567 /nfs/dbraw/zinc/03/25/67/190032567.db2.gz VLCNVWHHILCXEJ-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1nccnc1C[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257317781 190032568 /nfs/dbraw/zinc/03/25/68/190032568.db2.gz VLCNVWHHILCXEJ-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1nccnc1C[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257317781 190032569 /nfs/dbraw/zinc/03/25/69/190032569.db2.gz VLCNVWHHILCXEJ-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO CCn1cc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257316310 190033077 /nfs/dbraw/zinc/03/30/77/190033077.db2.gz VFAADGJUSSYEKO-LBPRGKRZSA-N 1 1 259.357 1.924 40 0 CDABMO C[N@@H+]1CCN(CC(=O)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000257342395 190036904 /nfs/dbraw/zinc/03/69/04/190036904.db2.gz ZOJPZOLQHGFGDG-MRXNPFEDSA-N 1 1 287.407 1.598 40 0 CDABMO C[N@H+]1CCN(CC(=O)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000257342395 190036905 /nfs/dbraw/zinc/03/69/05/190036905.db2.gz ZOJPZOLQHGFGDG-MRXNPFEDSA-N 1 1 287.407 1.598 40 0 CDABMO CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@]2([NH3+])COC)cc1 ZINC000242464084 256699122 /nfs/dbraw/zinc/69/91/22/256699122.db2.gz DVJULQOTMMBCMX-MCIONIFRSA-N 1 1 283.393 1.103 40 0 CDABMO COC1(OC)CC[N@@H+](Cc2ccccc2)C[C@H]1O ZINC000033607269 390399076 /nfs/dbraw/zinc/39/90/76/390399076.db2.gz ANEFKQJYRFOSON-CYBMUJFWSA-N 1 1 251.326 1.242 40 0 CDABMO COc1ccc([C@H]([NH3+])c2nnc(C3CC3)[nH]2)cc1OC ZINC000095533874 390609050 /nfs/dbraw/zinc/60/90/50/390609050.db2.gz SMAZMJHDQCNWDK-LBPRGKRZSA-N 1 1 274.324 1.747 40 0 CDABMO CC(C)[N@H+]1CCOC[C@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049717 390912360 /nfs/dbraw/zinc/91/23/60/390912360.db2.gz WATWUPRTUQZPHO-INIZCTEOSA-N 1 1 294.395 1.591 40 0 CDABMO COCC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1cscn1 ZINC000096063970 390912512 /nfs/dbraw/zinc/91/25/12/390912512.db2.gz BOTQCHMKWAFTCY-NWDGAFQWSA-N 1 1 281.381 1.078 40 0 CDABMO CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@@]2([NH3+])COC)cc1 ZINC000218541503 391083576 /nfs/dbraw/zinc/08/35/76/391083576.db2.gz XDUKOBOFCOXIML-QLFBSQMISA-N 1 1 297.420 1.493 40 0 CDABMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)NC(N)=O ZINC000048580992 391478547 /nfs/dbraw/zinc/47/85/47/391478547.db2.gz NRUNZICSOXYPCE-SECBINFHSA-N 1 1 283.759 1.918 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1ccc(C)cc1 ZINC000242614861 391943768 /nfs/dbraw/zinc/94/37/68/391943768.db2.gz PKVABHMPCAGJPH-KFWWJZLASA-N 1 1 297.420 1.630 40 0 CDABMO CCNC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000078602723 135001583 /nfs/dbraw/zinc/00/15/83/135001583.db2.gz IOCBIKZRAWKFEC-UHFFFAOYSA-N 1 1 291.399 1.724 40 0 CDABMO Cc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020725955 292167829 /nfs/dbraw/zinc/16/78/29/292167829.db2.gz XDPNZGDFJMPKSY-KFWWJZLASA-N 1 1 279.380 1.844 40 0 CDABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cnco1 ZINC000257252271 286512180 /nfs/dbraw/zinc/51/21/80/286512180.db2.gz JUEKFOPSVPIXRO-LBPRGKRZSA-N 1 1 287.319 1.470 40 0 CDABMO O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCCC1 ZINC000006423017 170200029 /nfs/dbraw/zinc/20/00/29/170200029.db2.gz MGSFDURHEMGIML-HNNXBMFYSA-N 1 1 273.380 1.916 40 0 CDABMO CCOc1ccc(CNCCC[NH2+]C)cc1OC ZINC000008324686 170331298 /nfs/dbraw/zinc/33/12/98/170331298.db2.gz HUFRDTASLYDNGY-UHFFFAOYSA-N 1 1 252.358 1.793 40 0 CDABMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000038832717 174157084 /nfs/dbraw/zinc/15/70/84/174157084.db2.gz CHEOHXDFISCJJK-INIZCTEOSA-N 1 1 288.391 1.757 40 0 CDABMO CNC(=O)[C@@]1(C)CCC[N@@H+](Cc2cccnc2NC)C1 ZINC000072346331 176373251 /nfs/dbraw/zinc/37/32/51/176373251.db2.gz CIZJFBZLCSFQCQ-HNNXBMFYSA-N 1 1 276.384 1.471 40 0 CDABMO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)cc1 ZINC000072397637 176395182 /nfs/dbraw/zinc/39/51/82/176395182.db2.gz VXPYDZKZWJSQAM-VHDGCEQUSA-N 1 1 276.380 1.335 40 0 CDABMO Cc1ncc(C(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000077957491 177312954 /nfs/dbraw/zinc/31/29/54/177312954.db2.gz MXHYTRMDMIOAFF-GFCCVEGCSA-N 1 1 298.408 1.965 40 0 CDABMO CO[C@H]1C[N@H+](Cc2c[nH]cn2)CC[C@@]12CCCO2 ZINC000257233441 277343968 /nfs/dbraw/zinc/34/39/68/277343968.db2.gz GPGMWJYTDYWCMQ-STQMWFEESA-N 1 1 251.330 1.180 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2c[nH]cn2)CC[C@@]12CCCO2 ZINC000257233441 277343969 /nfs/dbraw/zinc/34/39/69/277343969.db2.gz GPGMWJYTDYWCMQ-STQMWFEESA-N 1 1 251.330 1.180 40 0 CDABMO NC(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000072356701 295169769 /nfs/dbraw/zinc/16/97/69/295169769.db2.gz SPGKSVPHFFSEKF-GFCCVEGCSA-N 1 1 262.357 1.978 40 0 CDABMO NC(=O)c1cn[nH]c1[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000072356701 295169771 /nfs/dbraw/zinc/16/97/71/295169771.db2.gz SPGKSVPHFFSEKF-GFCCVEGCSA-N 1 1 262.357 1.978 40 0 CDABMO NC(=O)c1cn[nH]c1[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000072356701 295169773 /nfs/dbraw/zinc/16/97/73/295169773.db2.gz SPGKSVPHFFSEKF-GFCCVEGCSA-N 1 1 262.357 1.978 40 0 CDABMO c1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)nc1 ZINC000062717818 333176049 /nfs/dbraw/zinc/17/60/49/333176049.db2.gz JXYOTDWWQWQFCS-UHFFFAOYSA-N 1 1 269.352 1.762 40 0 CDABMO C[N@@H+](Cc1ccncc1)[C@H]1CCC[C@@H]2CN(C(N)=O)C[C@@H]21 ZINC000096038538 185069308 /nfs/dbraw/zinc/06/93/08/185069308.db2.gz YAHFKEQTIVKDCB-ILXRZTDVSA-N 1 1 288.395 1.693 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042742 185070398 /nfs/dbraw/zinc/07/03/98/185070398.db2.gz RZSWMCDSVKPWOO-YNEHKIRRSA-N 1 1 280.393 1.474 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1scnc1C)CC[C@@H]2OC ZINC000096109408 185099249 /nfs/dbraw/zinc/09/92/49/185099249.db2.gz NWLPRWALAPKJFG-MJBXVCDLSA-N 1 1 295.452 1.993 40 0 CDABMO CO[C@@H]1CCN(C(C)=O)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096108592 185099637 /nfs/dbraw/zinc/09/96/37/185099637.db2.gz MFYKBMBQZHAKGG-ARFHVFGLSA-N 1 1 289.379 1.149 40 0 CDABMO CC(C)(C)c1cc(CN2CCC(C[NH3+])CC2)[nH]n1 ZINC000096523625 342166022 /nfs/dbraw/zinc/16/60/22/342166022.db2.gz PYJKDHKGNWEDSH-UHFFFAOYSA-N 1 1 250.390 1.878 40 0 CDABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)C1CC(C)C1)C2 ZINC000585103575 342212438 /nfs/dbraw/zinc/21/24/38/342212438.db2.gz YAJDOUAKVMCNIS-UWTIDYAISA-N 1 1 280.412 1.459 40 0 CDABMO OCC[N@H+]1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585275137 342256045 /nfs/dbraw/zinc/25/60/45/342256045.db2.gz YCWVCOATISQDFS-TZMCWYRMSA-N 1 1 253.317 1.043 40 0 CDABMO COC[C@H]1CCC[N@@H+](CCC(=O)NC(C)(C)C)C1 ZINC000079090953 362139368 /nfs/dbraw/zinc/13/93/68/362139368.db2.gz PEQGCJDGPNKFJD-LBPRGKRZSA-N 1 1 256.390 1.650 40 0 CDABMO C[N@@H+]1Cc2cccn2C[C@H](C(=O)NCc2cccnc2)C1 ZINC000248149794 362154412 /nfs/dbraw/zinc/15/44/12/362154412.db2.gz SWLNAXYLFHIWSB-CQSZACIVSA-N 1 1 284.363 1.261 40 0 CDABMO CC[N@H+]1CCC[C@](C)(c2nncn2CCOC)C1 ZINC000205703106 343342115 /nfs/dbraw/zinc/34/21/15/343342115.db2.gz JYAGAJYGLASLHM-ZDUSSCGKSA-N 1 1 252.362 1.298 40 0 CDABMO C[N@H+]1CCCC[C@H]1c1cncc(N2CCC(O)CC2)n1 ZINC000257219764 362578153 /nfs/dbraw/zinc/57/81/53/362578153.db2.gz DIAMEFHLHFWNEJ-AWEZNQCLSA-N 1 1 276.384 1.595 40 0 CDABMO COCC[C@H]1CO[C@]2(CC[N@@H+](Cc3[nH]cnc3C)C2)C1 ZINC000107784975 186190795 /nfs/dbraw/zinc/19/07/95/186190795.db2.gz ANNNFYNOQVMSNQ-UKRRQHHQSA-N 1 1 279.384 1.736 40 0 CDABMO COc1ccccc1C[N@H+]1CCc2nc(C)[nH]c(=O)c2C1 ZINC000012113716 356287151 /nfs/dbraw/zinc/28/71/51/356287151.db2.gz FYZMAEXSENNAHW-UHFFFAOYSA-N 1 1 285.347 1.645 40 0 CDABMO CCN(CC)C(=O)C[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000012222107 356292000 /nfs/dbraw/zinc/29/20/00/356292000.db2.gz XEEUVJQIPVUHPN-UHFFFAOYSA-N 1 1 291.395 1.233 40 0 CDABMO COC(=O)[C@H](C)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000012648537 356316269 /nfs/dbraw/zinc/31/62/69/356316269.db2.gz QHQABJVSGUGKSW-GHMZBOCLSA-N 1 1 286.372 1.395 40 0 CDABMO CCC[NH+]1CCN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)CC1 ZINC000019503403 356487627 /nfs/dbraw/zinc/48/76/27/356487627.db2.gz PZPOLWRUWNFGJN-LBPRGKRZSA-N 1 1 290.411 1.702 40 0 CDABMO NC(=O)CC[N@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000019376624 283285146 /nfs/dbraw/zinc/28/51/46/283285146.db2.gz YNNYGEDCBGYQTQ-LLVKDONJSA-N 1 1 289.335 1.107 40 0 CDABMO Cc1ccc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)o1 ZINC000096053988 358707351 /nfs/dbraw/zinc/70/73/51/358707351.db2.gz UXVKNOXADYTQTN-OKILXGFUSA-N 1 1 284.363 1.946 40 0 CDABMO O=C(c1ccoc1)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000096184401 358713804 /nfs/dbraw/zinc/71/38/04/358713804.db2.gz FIRYUCAQLJVBMH-UONOGXRCSA-N 1 1 260.337 1.978 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cn1 ZINC000096200002 358717100 /nfs/dbraw/zinc/71/71/00/358717100.db2.gz BVOSDTKYWWFVBU-JKSUJKDBSA-N 1 1 271.364 1.598 40 0 CDABMO COCCN1CC[N@H+](Cc2cccnc2)Cc2cccnc21 ZINC000096198854 358717341 /nfs/dbraw/zinc/71/73/41/358717341.db2.gz GUGJODZENVPYSH-UHFFFAOYSA-N 1 1 298.390 1.945 40 0 CDABMO COCCN1CC[N@@H+](Cc2cccnc2)Cc2cccnc21 ZINC000096198854 358717345 /nfs/dbraw/zinc/71/73/45/358717345.db2.gz GUGJODZENVPYSH-UHFFFAOYSA-N 1 1 298.390 1.945 40 0 CDABMO COC[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)[N@H+]1C ZINC000096207659 358720050 /nfs/dbraw/zinc/72/00/50/358720050.db2.gz WUFWANDTFQDCDR-AWEZNQCLSA-N 1 1 292.379 1.995 40 0 CDABMO C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228726 358724185 /nfs/dbraw/zinc/72/41/85/358724185.db2.gz MOQYKUIQOPVYGD-OAHLLOKOSA-N 1 1 294.420 1.933 40 0 CDABMO O=C1[C@H]2C[N@H+](C3CCOCC3)C[C@H]2CN1c1ccsc1 ZINC000096245221 358725682 /nfs/dbraw/zinc/72/56/82/358725682.db2.gz SIRCUPZJMYXQQT-FZMZJTMJSA-N 1 1 292.404 1.822 40 0 CDABMO CCOc1ncnc2c1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096255622 358728447 /nfs/dbraw/zinc/72/84/47/358728447.db2.gz SGRRXIQNHOUGRS-LBPRGKRZSA-N 1 1 277.368 1.312 40 0 CDABMO C[N@@H+]1CCO[C@]2(CCCN(C(=O)c3ccccn3)C2)C1 ZINC000096268606 358730301 /nfs/dbraw/zinc/73/03/01/358730301.db2.gz TWROXVGYSNDKRD-OAHLLOKOSA-N 1 1 275.352 1.018 40 0 CDABMO C[N@H+]1CCO[C@]2(CCCN(C(=O)c3ccccn3)C2)C1 ZINC000096268606 358730302 /nfs/dbraw/zinc/73/03/02/358730302.db2.gz TWROXVGYSNDKRD-OAHLLOKOSA-N 1 1 275.352 1.018 40 0 CDABMO CC(=O)N1CCC2(CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC000096268708 358730803 /nfs/dbraw/zinc/73/08/03/358730803.db2.gz RIHPCYLUMIGPIE-CQSZACIVSA-N 1 1 266.385 1.357 40 0 CDABMO O=C([C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1)N1CCCCC1 ZINC000095097816 366523298 /nfs/dbraw/zinc/52/32/98/366523298.db2.gz PDGPTTPQFVCBMQ-CHWSQXEVSA-N 1 1 252.358 1.110 40 0 CDABMO CC(C)CN1CC2(C1)C[N@@H+](CC(C)C)C[C@H]1C[C@@H](O)CN12 ZINC000514290055 360126482 /nfs/dbraw/zinc/12/64/82/360126482.db2.gz SCZWLYRQCAFKJC-HZPDHXFCSA-N 1 1 295.471 1.104 40 0 biogenic,in-vitro CDABMO COCC[N@H+]1CC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC000528470190 367853234 /nfs/dbraw/zinc/85/32/34/367853234.db2.gz DCRBVWFFROLXOX-NSHDSACASA-N 1 1 281.356 1.249 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218442404 370340862 /nfs/dbraw/zinc/34/08/62/370340862.db2.gz SKVAXYJGDQKULE-HZSPNIEDSA-N 1 1 283.393 1.239 40 0 CDABMO C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000225453810 374429226 /nfs/dbraw/zinc/42/92/26/374429226.db2.gz NTYPKJXETYHLKQ-ZFWWWQNUSA-N 1 1 276.380 1.913 40 0 CDABMO C[C@@H](C(=O)[O-])[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225453810 374429233 /nfs/dbraw/zinc/42/92/33/374429233.db2.gz NTYPKJXETYHLKQ-ZFWWWQNUSA-N 1 1 276.380 1.913 40 0 CDABMO C[C@@H](C(=O)[O-])[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225453810 374429239 /nfs/dbraw/zinc/42/92/39/374429239.db2.gz NTYPKJXETYHLKQ-ZFWWWQNUSA-N 1 1 276.380 1.913 40 0 CDABMO COC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)C3=CCCC3)C2)C1 ZINC000306125652 374967861 /nfs/dbraw/zinc/96/78/61/374967861.db2.gz CXAXWKHAPXZOAJ-CYBMUJFWSA-N 1 1 278.396 1.666 40 0 CDABMO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257305192 190030937 /nfs/dbraw/zinc/03/09/37/190030937.db2.gz SOUWHDYZHCTECO-ZDUSSCGKSA-N 1 1 272.356 1.589 40 0 CDABMO CNc1cncc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257305192 190030938 /nfs/dbraw/zinc/03/09/38/190030938.db2.gz SOUWHDYZHCTECO-ZDUSSCGKSA-N 1 1 272.356 1.589 40 0 CDABMO Cn1ccnc1-c1nccnc1C[C@@H]1CCC[N@@H+](C)C1 ZINC000257326728 190034725 /nfs/dbraw/zinc/03/47/25/190034725.db2.gz WYJJQFDELCXILW-LBPRGKRZSA-N 1 1 271.368 1.761 40 0 CDABMO O=c1[nH]c(CN2CC[N@H+]3CCCC[C@@H]3C2)nc2ccccc21 ZINC000019375876 285195913 /nfs/dbraw/zinc/19/59/13/285195913.db2.gz YGKOGHZPEDWOCB-CYBMUJFWSA-N 1 1 298.390 1.593 40 0 CDABMO CC(C)N(C(=O)CN)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404233 390421852 /nfs/dbraw/zinc/42/18/52/390421852.db2.gz NMKRVFOOXZLMGU-OAHLLOKOSA-N 1 1 275.396 1.457 40 0 CDABMO CC(C)N(C(=O)CN)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404233 390421854 /nfs/dbraw/zinc/42/18/54/390421854.db2.gz NMKRVFOOXZLMGU-OAHLLOKOSA-N 1 1 275.396 1.457 40 0 CDABMO CN1CCN(c2ccc([C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000072225536 390624036 /nfs/dbraw/zinc/62/40/36/390624036.db2.gz VDSCHGWBYUKGNE-KRWDZBQOSA-N 1 1 282.391 1.882 40 0 CDABMO C[NH+](C)C[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1 ZINC000096100352 390912850 /nfs/dbraw/zinc/91/28/50/390912850.db2.gz NXLFMCSINWGIMO-BNOWGMLFSA-N 1 1 250.342 1.431 40 0 CDABMO COCC[N@H+]1CCC[C@@]12CCCN(c1ncccn1)C2 ZINC000096203226 390913359 /nfs/dbraw/zinc/91/33/59/390913359.db2.gz SKXTXPRRFDRKPO-OAHLLOKOSA-N 1 1 276.384 1.558 40 0 CDABMO Cc1cc([C@H]2[NH2+]CCc3cc4c(cc32)OCO4)on1 ZINC000072398459 291990274 /nfs/dbraw/zinc/99/02/74/291990274.db2.gz YZNVDIPFQVESBJ-AWEZNQCLSA-N 1 1 258.277 1.947 40 0 CDABMO C[N@@H+]1[C@@H]2CCCC(=O)N[C@H]2C[C@@H]1Cc1ccccc1 ZINC000257259372 397607391 /nfs/dbraw/zinc/60/73/91/397607391.db2.gz KYCGZFRRMZCRSC-SOUVJXGZSA-N 1 1 258.365 1.971 40 0 CDABMO C[C@@H]1CN(C(=S)Nc2ccccc2)[C@@H](C)C[N@H+]1CCO ZINC000035333365 172131484 /nfs/dbraw/zinc/13/14/84/172131484.db2.gz NXZQMQODJDGJBC-OLZOCXBDSA-N 1 1 293.436 1.770 40 0 CDABMO Cc1nnsc1C(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC000072254211 176350857 /nfs/dbraw/zinc/35/08/57/176350857.db2.gz OWIKNPHSHQHLNY-UHFFFAOYSA-N 1 1 280.397 1.404 40 0 CDABMO O=C(NC1CCCC1)c1cc([C@H]2CCCC[NH2+]2)n[nH]1 ZINC000072348360 176373076 /nfs/dbraw/zinc/37/30/76/176373076.db2.gz IZAWHIVIISOUDZ-LLVKDONJSA-N 1 1 262.357 1.897 40 0 CDABMO CCNC(=O)c1cc(C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072369341 176384118 /nfs/dbraw/zinc/38/41/18/176384118.db2.gz PEKHDQRPUNSAAA-NSHDSACASA-N 1 1 262.357 1.344 40 0 CDABMO Cc1nc(NC[C@H]2CCCO2)nc2c1C[N@@H+](C)CC2 ZINC000072415033 176399362 /nfs/dbraw/zinc/39/93/62/176399362.db2.gz ZQQLVEOONZGEMR-LLVKDONJSA-N 1 1 262.357 1.364 40 0 CDABMO CCCn1nnnc1C[N@H+](C(C)C)C1CCOCC1 ZINC000077323382 177252889 /nfs/dbraw/zinc/25/28/89/177252889.db2.gz ZTDKPRGRTVERFA-UHFFFAOYSA-N 1 1 267.377 1.473 40 0 CDABMO CCCn1nnnc1C[N@@H+](C(C)C)C1CCOCC1 ZINC000077323382 177252891 /nfs/dbraw/zinc/25/28/91/177252891.db2.gz ZTDKPRGRTVERFA-UHFFFAOYSA-N 1 1 267.377 1.473 40 0 CDABMO C[C@@H](C(N)=O)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000078611033 177360102 /nfs/dbraw/zinc/36/01/02/177360102.db2.gz HQSMPCGVNBBRDV-VIFPVBQESA-N 1 1 285.185 1.797 40 0 CDABMO CC[N@H+]1CCO[C@@H]2CN(C(=O)C3CCSCC3)C[C@@H]2C1 ZINC000096107964 276391119 /nfs/dbraw/zinc/39/11/19/276391119.db2.gz NKUWNAHFGIPVFM-UONOGXRCSA-N 1 1 298.452 1.309 40 0 CDABMO CC[C@@H]1C[NH2+][C@H](CO)[C@@H]1CN(C)CCc1ccccc1 ZINC001772595092 1159312055 /nfs/dbraw/zinc/31/20/55/1159312055.db2.gz WAGXRNZBPGUEDT-BRWVUGGUSA-N 1 1 276.424 1.767 40 0 CDABMO CCOc1cc([C@@H]([NH3+])c2nnc(CC)[nH]2)ccc1OC ZINC000095534444 185006785 /nfs/dbraw/zinc/00/67/85/185006785.db2.gz HYTNUIIQHDZMSH-CYBMUJFWSA-N 1 1 276.340 1.823 40 0 CDABMO Cc1nnc([C@H]2C[C@@H]3CC[N@@H+](Cc4cccnc4)C[C@H]3O2)[nH]1 ZINC000096046204 185071833 /nfs/dbraw/zinc/07/18/33/185071833.db2.gz WGZNBQCNVHNYKM-RRFJBIMHSA-N 1 1 299.378 1.860 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@@]2(CO1)CCC[N@@H+](Cc1ccco1)C2 ZINC000096048879 185072859 /nfs/dbraw/zinc/07/28/59/185072859.db2.gz DWKSADKZWDYAEX-ZBFHGGJFSA-N 1 1 292.379 1.739 40 0 CDABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccnnc1 ZINC000096055785 185075482 /nfs/dbraw/zinc/07/54/82/185075482.db2.gz BYTPYNQALPKLSN-UONOGXRCSA-N 1 1 274.368 1.421 40 0 CDABMO O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC000096055826 185076732 /nfs/dbraw/zinc/07/67/32/185076732.db2.gz GEKQVFSDEGUEDH-OLZOCXBDSA-N 1 1 270.398 1.037 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2ccncc2)[C@H]1Cc1cccnc1 ZINC000096061637 185083011 /nfs/dbraw/zinc/08/30/11/185083011.db2.gz KRYXOFLSEHCEET-HOTGVXAUSA-N 1 1 269.348 1.655 40 0 CDABMO c1cc(C[N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1 ZINC000096072253 185088217 /nfs/dbraw/zinc/08/82/17/185088217.db2.gz UBIXTZMIMLQEPB-LSDHHAIUSA-N 1 1 277.368 1.570 40 0 CDABMO c1cc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1 ZINC000096072253 185088218 /nfs/dbraw/zinc/08/82/18/185088218.db2.gz UBIXTZMIMLQEPB-LSDHHAIUSA-N 1 1 277.368 1.570 40 0 CDABMO CC[N@H+]1CCO[C@@H]2CN(C(=O)C3(F)CCC3)CC[C@@H]2C1 ZINC000585107890 342213250 /nfs/dbraw/zinc/21/32/50/342213250.db2.gz BDFCNYKOZPUHPY-CHWSQXEVSA-N 1 1 284.375 1.448 40 0 CDABMO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@H+]1C ZINC000585180140 342232600 /nfs/dbraw/zinc/23/26/00/342232600.db2.gz LYEKQFXKCBKZEO-LBPRGKRZSA-N 1 1 287.367 1.588 40 0 CDABMO Cc1cccc(OC[C@]2(O)COCC[N@H+](C(C)C)C2)c1 ZINC000585269110 342254573 /nfs/dbraw/zinc/25/45/73/342254573.db2.gz KDIZVAKGTCESJY-MRXNPFEDSA-N 1 1 279.380 1.846 40 0 CDABMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000072368287 282211177 /nfs/dbraw/zinc/21/11/77/282211177.db2.gz OEKSGFQBMSQAJR-ZDUSSCGKSA-N 1 1 285.351 1.534 40 0 CDABMO CN(C)C(=O)[C@H]1C[N@@H+](C[C@H]2CC=CCC2)[C@@H]2CCO[C@@H]21 ZINC000108529427 186222130 /nfs/dbraw/zinc/22/21/30/186222130.db2.gz VEOOARSKWGVIAZ-BYNSBNAKSA-N 1 1 278.396 1.520 40 0 CDABMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC000019527289 356490835 /nfs/dbraw/zinc/49/08/35/356490835.db2.gz CHGXFUTUWXSWOM-LBPRGKRZSA-N 1 1 276.384 1.891 40 0 CDABMO Cc1nn(C)cc1C[N@H+]1CC[C@H](C(=O)NC2CCCC2)C1 ZINC000019747829 356499568 /nfs/dbraw/zinc/49/95/68/356499568.db2.gz XDBBLMJVEAPQEX-ZDUSSCGKSA-N 1 1 290.411 1.609 40 0 CDABMO Cn1cc([C@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C(N)=O)cn1 ZINC000329030454 202158867 /nfs/dbraw/zinc/15/88/67/202158867.db2.gz PMBZCYPPUDNMMQ-MNOVXSKESA-N 1 1 291.380 1.627 40 0 CDABMO C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391641 356988262 /nfs/dbraw/zinc/98/82/62/356988262.db2.gz LIJSBXINQWNNDR-HNNXBMFYSA-N 1 1 292.379 1.712 40 0 CDABMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404191 356990111 /nfs/dbraw/zinc/99/01/11/356990111.db2.gz BSDLHNABWBXREX-OAHLLOKOSA-N 1 1 275.396 1.316 40 0 CDABMO CC[NH+]1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000060866416 357446558 /nfs/dbraw/zinc/44/65/58/357446558.db2.gz GDDZETKNHICGJT-UHFFFAOYSA-N 1 1 264.344 1.922 40 0 CDABMO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1cccs1 ZINC000057450400 357988265 /nfs/dbraw/zinc/98/82/65/357988265.db2.gz WVVSIANDGDQBPP-UHFFFAOYSA-N 1 1 283.397 1.804 40 0 CDABMO C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1cccs1 ZINC000057450400 357988270 /nfs/dbraw/zinc/98/82/70/357988270.db2.gz WVVSIANDGDQBPP-UHFFFAOYSA-N 1 1 283.397 1.804 40 0 CDABMO c1coc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)c1 ZINC000096054425 358707432 /nfs/dbraw/zinc/70/74/32/358707432.db2.gz MGRBVCJZKGCFIM-KGLIPLIRSA-N 1 1 286.335 1.159 40 0 CDABMO c1coc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)c1 ZINC000096054425 358707435 /nfs/dbraw/zinc/70/74/35/358707435.db2.gz MGRBVCJZKGCFIM-KGLIPLIRSA-N 1 1 286.335 1.159 40 0 CDABMO COC[C@H]1Cn2ccnc2C[N@@H+](CC2CCOCC2)C1 ZINC000096059106 358707469 /nfs/dbraw/zinc/70/74/69/358707469.db2.gz IVCVEMHAXISAOH-CQSZACIVSA-N 1 1 279.384 1.388 40 0 CDABMO C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161628 358711256 /nfs/dbraw/zinc/71/12/56/358711256.db2.gz XBCJMRRVTVSQLB-AYDFFVQHSA-N 1 1 285.391 1.628 40 0 CDABMO O=C1C[C@H]2[C@@H](CC[N@H+]2C[C@@H]2CCOC2)N1c1ccsc1 ZINC000096184149 358713363 /nfs/dbraw/zinc/71/33/63/358713363.db2.gz YTPHLRILXYOMSB-YUTCNCBUSA-N 1 1 292.404 1.964 40 0 CDABMO COCC[N@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC000096198979 358717545 /nfs/dbraw/zinc/71/75/45/358717545.db2.gz JMTODIXSWRGGJZ-UHFFFAOYSA-N 1 1 298.390 1.945 40 0 CDABMO O=C(C[C@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@@H]12)N1CCCC1 ZINC000096206463 358719955 /nfs/dbraw/zinc/71/99/55/358719955.db2.gz ZSWGPITWVOLWCM-FVQBIDKESA-N 1 1 292.423 1.888 40 0 CDABMO O=C1[C@H]2C[N@@H+](CC3CC3)C[C@H]2CN1c1cccnc1 ZINC000096245166 358724495 /nfs/dbraw/zinc/72/44/95/358724495.db2.gz VXIBUQLMGVIFIS-JSGCOSHPSA-N 1 1 257.337 1.386 40 0 CDABMO O=C1[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2CN1Cc1cccnc1 ZINC000096245074 358724738 /nfs/dbraw/zinc/72/47/38/358724738.db2.gz ZIYKRVCWFOWSOY-HOTGVXAUSA-N 1 1 297.358 1.765 40 0 CDABMO CN(C)c1ncc2c(n1)[C@@]1(CC[N@@H+](CC3CC3)C1)COC2 ZINC000096244020 358724925 /nfs/dbraw/zinc/72/49/25/358724925.db2.gz FJBXXAKOQRGVSI-MRXNPFEDSA-N 1 1 288.395 1.426 40 0 CDABMO CC(C)C[N@H+]1C[C@H]2C[C@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000096253366 358727698 /nfs/dbraw/zinc/72/76/98/358727698.db2.gz VKBXFEDQHZJTOT-QLFBSQMISA-N 1 1 289.379 1.765 40 0 CDABMO CN(C)c1ccccc1C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000075714741 359943227 /nfs/dbraw/zinc/94/32/27/359943227.db2.gz WONLKTGALONBHO-AWEZNQCLSA-N 1 1 275.396 1.983 40 0 CDABMO COCc1noc([C@H](C)N2CC[N@H+](C3CC3)C[C@H](C)C2)n1 ZINC000333449450 205329751 /nfs/dbraw/zinc/32/97/51/205329751.db2.gz RKEPFNQLFHPMRT-NEPJUHHUSA-N 1 1 294.399 1.693 40 0 CDABMO Cc1nnc([C@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000049169223 373981907 /nfs/dbraw/zinc/98/19/07/373981907.db2.gz JXYUECPMMMGEBJ-NSHDSACASA-N 1 1 250.346 1.262 40 0 biogenic,in-vitro CDABMO Cc1nnc([C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000049169223 373981909 /nfs/dbraw/zinc/98/19/09/373981909.db2.gz JXYUECPMMMGEBJ-NSHDSACASA-N 1 1 250.346 1.262 40 0 biogenic,in-vitro CDABMO NC(=O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502098 374059529 /nfs/dbraw/zinc/05/95/29/374059529.db2.gz LXFCCQDLSSOTPF-AWEZNQCLSA-N 1 1 262.353 1.195 40 0 CDABMO NC(=O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502098 374059536 /nfs/dbraw/zinc/05/95/36/374059536.db2.gz LXFCCQDLSSOTPF-AWEZNQCLSA-N 1 1 262.353 1.195 40 0 CDABMO COC(CN1CCC([N@H+]2CCC[C@H]2C)CC1)OC ZINC000225450917 374427711 /nfs/dbraw/zinc/42/77/11/374427711.db2.gz VPPVVQFHXYOCGE-GFCCVEGCSA-N 1 1 256.390 1.554 40 0 CDABMO CC(C)CCOCC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000079355219 374795775 /nfs/dbraw/zinc/79/57/75/374795775.db2.gz KGMBOMOHSGPTHB-CQSZACIVSA-N 1 1 283.416 1.539 40 0 CDABMO C[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000132084462 375402064 /nfs/dbraw/zinc/40/20/64/375402064.db2.gz AMHRAJYPBBKZIT-UKRRQHHQSA-N 1 1 281.421 1.984 40 0 CDABMO O[C@H]1CCCOC12CC[NH+](Cc1ncccc1F)CC2 ZINC000257206660 190011452 /nfs/dbraw/zinc/01/14/52/190011452.db2.gz BEKUVOUUDRNOFQ-AWEZNQCLSA-N 1 1 280.343 1.727 40 0 CDABMO Cc1cc(N)cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)[nH+]1 ZINC000257249766 190020101 /nfs/dbraw/zinc/02/01/01/190020101.db2.gz JJRIOTKHDUXUSH-HNNXBMFYSA-N 1 1 287.367 1.279 40 0 CDABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)n1 ZINC000257264973 190022851 /nfs/dbraw/zinc/02/28/51/190022851.db2.gz LWUIVDZUMXJFIA-CYBMUJFWSA-N 1 1 279.384 1.439 40 0 CDABMO C[NH+](C)Cc1cncc([C@@H]2CCCN2Cc2c[nH]cn2)n1 ZINC000257261757 190022081 /nfs/dbraw/zinc/02/20/81/190022081.db2.gz LIRVSWMKLMCSBC-HNNXBMFYSA-N 1 1 286.383 1.598 40 0 CDABMO CNC(=O)CCc1cc([C@@H]2CCCC[N@H+]2C)nc(C)n1 ZINC000257280381 190025637 /nfs/dbraw/zinc/02/56/37/190025637.db2.gz OKPWHHIPXPQYQJ-AWEZNQCLSA-N 1 1 276.384 1.620 40 0 CDABMO CCc1ccc([C@H]2[C@H](S(=O)(=O)CC)C2(CN)C[NH3+])cc1 ZINC000218396300 375828122 /nfs/dbraw/zinc/82/81/22/375828122.db2.gz CNRMZWACIZSSRP-KBPBESRZSA-N 1 1 296.436 1.053 40 0 CDABMO Cc1ccnc([C@@H]2CC[N@@H+](CC3(O)CCOCC3)C2)n1 ZINC000257299134 190029317 /nfs/dbraw/zinc/02/93/17/190029317.db2.gz ROVZHXDGBVKAMS-CYBMUJFWSA-N 1 1 277.368 1.116 40 0 CDABMO Cc1c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cnn1C ZINC000257336607 190036698 /nfs/dbraw/zinc/03/66/98/190036698.db2.gz YPEUMEWRLKIDQB-CYBMUJFWSA-N 1 1 271.368 1.898 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccnc1OC ZINC000039335852 377465985 /nfs/dbraw/zinc/46/59/85/377465985.db2.gz HKJIKRVMMOKAKM-LLVKDONJSA-N 1 1 263.341 1.304 40 0 CDABMO COc1ccccc1NC(=O)CC[NH+]1CCN(C)CC1 ZINC000019590030 391324350 /nfs/dbraw/zinc/32/43/50/391324350.db2.gz RJIUTXJLYMTQDB-UHFFFAOYSA-N 1 1 277.368 1.271 40 0 CDABMO CN1CC[N@H+](C2CCCCCC2)C[C@H](C(N)=O)C1 ZINC000257235598 391647911 /nfs/dbraw/zinc/64/79/11/391647911.db2.gz GYNOLDOREJSBJV-GFCCVEGCSA-N 1 1 253.390 1.058 40 0 CDABMO COC(=O)[C@@H]1C(=O)C[C@H]2[N@H+](C)[C@@H]1C(C)(C)C2(C)C ZINC000005217828 170077120 /nfs/dbraw/zinc/07/71/20/170077120.db2.gz ZBUSBQXKKWHUNU-MXWKQRLJSA-N 1 1 253.342 1.483 40 0 CDABMO CCN1CC[NH+](C[C@@H](O)CO[C@H]2CCC[C@@H]2C)CC1 ZINC000020707537 171269901 /nfs/dbraw/zinc/26/99/01/171269901.db2.gz HOQJEEHSQKXMCX-ZNMIVQPWSA-N 1 1 270.417 1.190 40 0 CDABMO Cc1ccc(CC(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000022521884 171389749 /nfs/dbraw/zinc/38/97/49/171389749.db2.gz UAOSGRGWXUGBJZ-UHFFFAOYSA-N 1 1 289.423 1.291 40 0 CDABMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000072368535 176383522 /nfs/dbraw/zinc/38/35/22/176383522.db2.gz QQGONMHHJCQLTA-CYBMUJFWSA-N 1 1 287.367 1.477 40 0 CDABMO OCCc1cc([C@H]2CCC[N@@H+]2Cc2ccncc2)[nH]n1 ZINC000072385028 176389385 /nfs/dbraw/zinc/38/93/85/176389385.db2.gz ALSNTZHISSQRRP-OAHLLOKOSA-N 1 1 272.352 1.677 40 0 CDABMO OCCc1cc([C@H]2CCC[N@H+]2Cc2ccncc2)[nH]n1 ZINC000072385028 176389386 /nfs/dbraw/zinc/38/93/86/176389386.db2.gz ALSNTZHISSQRRP-OAHLLOKOSA-N 1 1 272.352 1.677 40 0 CDABMO C[C@@H](CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@H]1C)c1ccccc1 ZINC000248179064 334296801 /nfs/dbraw/zinc/29/68/01/334296801.db2.gz XNDXTISCGFIKDH-HDEZJCGLSA-N 1 1 274.408 1.929 40 0 CDABMO C[C@@H](C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C[C@H]1C)c1ccccc1 ZINC000248179064 334296802 /nfs/dbraw/zinc/29/68/02/334296802.db2.gz XNDXTISCGFIKDH-HDEZJCGLSA-N 1 1 274.408 1.929 40 0 CDABMO C[C@@H](C[N@H+]1C[C@@H]2C[C@@H](O)CN2C[C@H]1C)c1ccccc1 ZINC000248179064 334296803 /nfs/dbraw/zinc/29/68/03/334296803.db2.gz XNDXTISCGFIKDH-HDEZJCGLSA-N 1 1 274.408 1.929 40 0 CDABMO Cn1nccc1C[N@@H+]1C[C@@H]2[C@@H](Cc3cnccn3)CC[C@@H]2C1 ZINC000257245191 570324359 /nfs/dbraw/zinc/32/43/59/570324359.db2.gz IOLUPZHMYNRIBN-CKEIUWERSA-N 1 1 297.406 1.911 40 0 CDABMO C[NH+](C)CCNCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000022588040 282105741 /nfs/dbraw/zinc/10/57/41/282105741.db2.gz YZSVAYINXVRVOL-UHFFFAOYSA-N 1 1 279.428 1.223 40 0 CDABMO CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096039320 185069078 /nfs/dbraw/zinc/06/90/78/185069078.db2.gz WPFGANVDWNSCQZ-HOTGVXAUSA-N 1 1 293.411 1.828 40 0 CDABMO c1ncc(O[C@@H]2C[C@H]3C[N@@H+](CC4CC4)CCN3C2)cn1 ZINC000096055017 185075776 /nfs/dbraw/zinc/07/57/76/185075776.db2.gz GIZHOTULGCNHQK-UONOGXRCSA-N 1 1 274.368 1.024 40 0 CDABMO c1ncc(O[C@@H]2C[C@H]3CN(CC4CC4)CC[N@@H+]3C2)cn1 ZINC000096055017 185075777 /nfs/dbraw/zinc/07/57/77/185075777.db2.gz GIZHOTULGCNHQK-UONOGXRCSA-N 1 1 274.368 1.024 40 0 CDABMO c1ncc(O[C@@H]2C[C@H]3CN(CC4CC4)CC[N@H+]3C2)cn1 ZINC000096055017 185075778 /nfs/dbraw/zinc/07/57/78/185075778.db2.gz GIZHOTULGCNHQK-UONOGXRCSA-N 1 1 274.368 1.024 40 0 CDABMO c1cnc(OC[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3CC2CC2)nc1 ZINC000096055284 185076783 /nfs/dbraw/zinc/07/67/83/185076783.db2.gz JMZBQEXKEWXMMM-SOUVJXGZSA-N 1 1 289.379 1.745 40 0 CDABMO CC(C)NC(=O)N1CC2(C1)CC[N@@H+](Cc1ccncc1)C2 ZINC000096070831 185086810 /nfs/dbraw/zinc/08/68/10/185086810.db2.gz ALXFEZTUEJNAFO-UHFFFAOYSA-N 1 1 288.395 1.707 40 0 CDABMO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]cn1)C2 ZINC000096073419 185087720 /nfs/dbraw/zinc/08/77/20/185087720.db2.gz CIRNHUGSLSPKBC-DZGCQCFKSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH]cn1)C2 ZINC000096073419 185087722 /nfs/dbraw/zinc/08/77/22/185087722.db2.gz CIRNHUGSLSPKBC-DZGCQCFKSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnc[nH]1)C2 ZINC000096073419 185087725 /nfs/dbraw/zinc/08/77/25/185087725.db2.gz CIRNHUGSLSPKBC-DZGCQCFKSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC000096073419 185087727 /nfs/dbraw/zinc/08/77/27/185087727.db2.gz CIRNHUGSLSPKBC-DZGCQCFKSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2cnn(C)c2)C1 ZINC000585094639 342211165 /nfs/dbraw/zinc/21/11/65/342211165.db2.gz CBWQDSXGKJVLDC-AWEZNQCLSA-N 1 1 288.395 1.890 40 0 CDABMO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2cnn(C)c2)C1 ZINC000585094639 342211166 /nfs/dbraw/zinc/21/11/66/342211166.db2.gz CBWQDSXGKJVLDC-AWEZNQCLSA-N 1 1 288.395 1.890 40 0 CDABMO CNC(=O)C[C@@H]1OC[C@H]2C[N@@H+](CCC(C)C)CC[C@H]21 ZINC000585109460 342213414 /nfs/dbraw/zinc/21/34/14/342213414.db2.gz QVQRQSYKPFEJET-MCIONIFRSA-N 1 1 268.401 1.506 40 0 CDABMO Cc1ccccc1OC[C@@]1(O)CC[N@H+](C2CCOCC2)C1 ZINC000585274647 342255952 /nfs/dbraw/zinc/25/59/52/342255952.db2.gz LSRIOJDADIJFNI-QGZVFWFLSA-N 1 1 291.391 1.990 40 0 CDABMO OC1C[NH+]([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)C1 ZINC000585290374 342258781 /nfs/dbraw/zinc/25/87/81/342258781.db2.gz VLDVOBUHNWQOQE-RRFJBIMHSA-N 1 1 297.782 1.677 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2cccc(C)c2)[C@@H]1O ZINC000585290801 342258854 /nfs/dbraw/zinc/25/88/54/342258854.db2.gz GIVDWALOIOQFDQ-KFWWJZLASA-N 1 1 265.353 1.202 40 0 CDABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@@H]12 ZINC000248088786 362149559 /nfs/dbraw/zinc/14/95/59/362149559.db2.gz BSRQBGMBKLMXBC-CABCVRRESA-N 1 1 294.420 1.294 40 0 CDABMO CO[C@H]1CO[C@]2(CC[N@@H+](Cc3cccc(C)n3)C2)C1 ZINC000107225656 186163149 /nfs/dbraw/zinc/16/31/49/186163149.db2.gz FRKPEGTYIDCTHY-HUUCEWRRSA-N 1 1 262.353 1.770 40 0 CDABMO CCCC[N@H+]1C[C@H](C(=O)N2CCCCO2)[C@H]2OCC[C@H]21 ZINC000108526152 186220409 /nfs/dbraw/zinc/22/04/09/186220409.db2.gz JXPDPUFYGLJOGA-BFHYXJOUSA-N 1 1 282.384 1.430 40 0 CDABMO O=S(=O)(NCCn1cc[nH+]c1C1CC1)c1cccs1 ZINC000225568241 358483665 /nfs/dbraw/zinc/48/36/65/358483665.db2.gz BBVGVUVKANVXDT-UHFFFAOYSA-N 1 1 297.405 1.801 40 0 CDABMO Cc1nc2cccc3nc(NCCC[NH+](C)C)nc(n1)-n-2-3 ZINC000001589314 355940924 /nfs/dbraw/zinc/94/09/24/355940924.db2.gz BZUWGWNTHLPUMI-UHFFFAOYSA-N 1 1 285.355 1.272 40 0 CDABMO O=C1NCC[NH2+][C@@H]1Cc1ccccc1-c1cccnc1 ZINC000019348541 356480479 /nfs/dbraw/zinc/48/04/79/356480479.db2.gz HVGMWRAJXUSDDU-OAHLLOKOSA-N 1 1 267.332 1.379 40 0 CDABMO C[N@H+](CCN)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390948 356988398 /nfs/dbraw/zinc/98/83/98/356988398.db2.gz VSPOAVKPQJAZCV-OAHLLOKOSA-N 1 1 291.395 1.536 40 0 CDABMO C[N@@H+](CCN)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390948 356988403 /nfs/dbraw/zinc/98/84/03/356988403.db2.gz VSPOAVKPQJAZCV-OAHLLOKOSA-N 1 1 291.395 1.536 40 0 CDABMO CC[N@H+](Cc1ccccc1)C[C@H]1CCCN1CCO ZINC000079414184 356993359 /nfs/dbraw/zinc/99/33/59/356993359.db2.gz NOEBHQIMRBNKGG-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO CCN(Cc1ccccc1)C[C@H]1CCC[N@@H+]1CCO ZINC000079414184 356993367 /nfs/dbraw/zinc/99/33/67/356993367.db2.gz NOEBHQIMRBNKGG-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO CCN(Cc1ccccc1)C[C@H]1CCC[N@H+]1CCO ZINC000079414184 356993370 /nfs/dbraw/zinc/99/33/70/356993370.db2.gz NOEBHQIMRBNKGG-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO COc1ccc([C@H]2CCC[N@@H+]2CC(N)=O)cc1OC ZINC000051283586 357251746 /nfs/dbraw/zinc/25/17/46/357251746.db2.gz CVGGIJXQEXCXKK-LLVKDONJSA-N 1 1 264.325 1.326 40 0 CDABMO COc1ccc([C@H]2CCC[N@H+]2CC(N)=O)cc1OC ZINC000051283586 357251749 /nfs/dbraw/zinc/25/17/49/357251749.db2.gz CVGGIJXQEXCXKK-LLVKDONJSA-N 1 1 264.325 1.326 40 0 CDABMO CC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(CO)CC1 ZINC000058934509 357416442 /nfs/dbraw/zinc/41/64/42/357416442.db2.gz RCHZRBQSFJGSII-LBPRGKRZSA-N 1 1 281.356 1.404 40 0 CDABMO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000019597517 358106799 /nfs/dbraw/zinc/10/67/99/358106799.db2.gz HMIIGUIJBMHBNN-UHFFFAOYSA-N 1 1 283.759 1.482 40 0 CDABMO Cc1ccc(C[N@H+]2CCc3ncc(CN(C)C)n3CC2)o1 ZINC000096196778 358716039 /nfs/dbraw/zinc/71/60/39/358716039.db2.gz UVIZLBSHVLAPGK-UHFFFAOYSA-N 1 1 288.395 1.904 40 0 CDABMO Cc1ccc(C[N@@H+]2CCc3ncc(CN(C)C)n3CC2)o1 ZINC000096196778 358716042 /nfs/dbraw/zinc/71/60/42/358716042.db2.gz UVIZLBSHVLAPGK-UHFFFAOYSA-N 1 1 288.395 1.904 40 0 CDABMO C[C@H]1C[N@@H+](C)C[C@@]12COCCN(C(=O)c1ccoc1)C2 ZINC000096202366 358719329 /nfs/dbraw/zinc/71/93/29/358719329.db2.gz BZJCKXZFWVLTQN-SWLSCSKDSA-N 1 1 278.352 1.320 40 0 CDABMO CC[N@H+]1CC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 ZINC000096226040 358723217 /nfs/dbraw/zinc/72/32/17/358723217.db2.gz NMBPKAVAUFBHMP-AWEZNQCLSA-N 1 1 274.324 1.261 40 0 CDABMO COCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 ZINC000096249196 358726852 /nfs/dbraw/zinc/72/68/52/358726852.db2.gz KOUAPVKUYYGZHZ-OLZOCXBDSA-N 1 1 278.352 1.462 40 0 CDABMO CN(C)c1ncnc2c1CC[N@@H+](CC1CCC1)CC2 ZINC000096255413 358728894 /nfs/dbraw/zinc/72/88/94/358728894.db2.gz MKUROKCRRHJURO-UHFFFAOYSA-N 1 1 260.385 1.743 40 0 CDABMO c1csc(CN2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096531585 358736851 /nfs/dbraw/zinc/73/68/51/358736851.db2.gz SQSFWABFURHDBA-UHFFFAOYSA-N 1 1 252.383 1.703 40 0 CDABMO O=c1[nH]c(C[N@H+]2CCCC[C@H]2CCO)nc2ccccc21 ZINC000057605124 359101953 /nfs/dbraw/zinc/10/19/53/359101953.db2.gz OQCAPXZTFADPRC-LBPRGKRZSA-N 1 1 287.363 1.660 40 0 CDABMO O=c1[nH]c(C[N@@H+]2CCCC[C@H]2CCO)nc2ccccc21 ZINC000057605124 359101955 /nfs/dbraw/zinc/10/19/55/359101955.db2.gz OQCAPXZTFADPRC-LBPRGKRZSA-N 1 1 287.363 1.660 40 0 CDABMO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000131077859 364942144 /nfs/dbraw/zinc/94/21/44/364942144.db2.gz HWDNLMDTPAGSJG-UONOGXRCSA-N 1 1 299.378 1.401 40 0 CDABMO COC[C@@H](O)C[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000075739674 374043870 /nfs/dbraw/zinc/04/38/70/374043870.db2.gz LNXJUVZPYVUYIE-VIFPVBQESA-N 1 1 279.167 1.828 40 0 CDABMO Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000136136345 374172603 /nfs/dbraw/zinc/17/26/03/374172603.db2.gz IVLUNOPTXNRKMT-LLVKDONJSA-N 1 1 252.745 1.956 40 0 CDABMO Cc1cc(N2CC[NH+](CCOCC(C)C)CC2)n[nH]1 ZINC000225723776 375192217 /nfs/dbraw/zinc/19/22/17/375192217.db2.gz JYPDDDKQVOSKKA-UHFFFAOYSA-N 1 1 266.389 1.513 40 0 CDABMO CCCn1nccc1C[NH2+]Cc1c(C)nn(C)c1F ZINC000256053354 190004724 /nfs/dbraw/zinc/00/47/24/190004724.db2.gz RCNQXCIHLKIZIC-UHFFFAOYSA-N 1 1 265.336 1.764 40 0 CDABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000257212989 190013530 /nfs/dbraw/zinc/01/35/30/190013530.db2.gz CFSHRLGABPMDTE-ZDUSSCGKSA-N 1 1 287.367 1.922 40 0 CDABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)[N@H+]2CCO)N1 ZINC000257219617 190014297 /nfs/dbraw/zinc/01/42/97/190014297.db2.gz DHLGNGNSHVEIQN-PMPSAXMXSA-N 1 1 288.391 1.853 40 0 CDABMO Cc1c[nH]nc1[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000257268532 190023894 /nfs/dbraw/zinc/02/38/94/190023894.db2.gz MMDFPRSBRSXUEL-ZDUSSCGKSA-N 1 1 262.401 1.992 40 0 CDABMO C[N@H+]1CCC[C@@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257271229 190024199 /nfs/dbraw/zinc/02/41/99/190024199.db2.gz MXKPKOLLMHJZRG-SNVBAGLBSA-N 1 1 262.313 1.242 40 0 CDABMO Cc1nccc(C[N@H+]2CCC[C@H](c3cnccn3)C2)n1 ZINC000257258328 190021470 /nfs/dbraw/zinc/02/14/70/190021470.db2.gz KTIQXBXOOJWTQP-ZDUSSCGKSA-N 1 1 269.352 1.955 40 0 CDABMO Cn1ccnc1-c1cncc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000257281998 190026423 /nfs/dbraw/zinc/02/64/23/190026423.db2.gz ORVNTMBFSXVKJB-LBPRGKRZSA-N 1 1 287.367 1.049 40 0 CDABMO COCC[N@H+]1CCC[C@@H](c2nccnc2-c2cc[nH]n2)C1 ZINC000257273740 190024664 /nfs/dbraw/zinc/02/46/64/190024664.db2.gz NIAIPFNEZUXILD-GFCCVEGCSA-N 1 1 287.367 1.693 40 0 CDABMO C[N@H+]1CCC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 ZINC000257298581 190029910 /nfs/dbraw/zinc/02/99/10/190029910.db2.gz RMIXBBJMKLLAAL-LBPRGKRZSA-N 1 1 284.363 1.979 40 0 CDABMO CCC(CC)[N@@H+]1CC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257310007 190032054 /nfs/dbraw/zinc/03/20/54/190032054.db2.gz UDIHQIRJEINCIT-JTQLQIEISA-N 1 1 285.413 1.791 40 0 CDABMO CCC(CC)[N@H+]1CC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257310007 190032055 /nfs/dbraw/zinc/03/20/55/190032055.db2.gz UDIHQIRJEINCIT-JTQLQIEISA-N 1 1 285.413 1.791 40 0 CDABMO Cc1nccc([C@@H]2C[N@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000257317535 190032535 /nfs/dbraw/zinc/03/25/35/190032535.db2.gz VKEAJVAUKUTWHD-HNNXBMFYSA-N 1 1 291.395 1.854 40 0 CDABMO Cc1nccc([C@@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000257317535 190032536 /nfs/dbraw/zinc/03/25/36/190032536.db2.gz VKEAJVAUKUTWHD-HNNXBMFYSA-N 1 1 291.395 1.854 40 0 CDABMO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccco1 ZINC000048739417 391478611 /nfs/dbraw/zinc/47/86/11/391478611.db2.gz IIXNPAVMSLHDNA-LBPRGKRZSA-N 1 1 294.351 1.313 40 0 CDABMO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccco1 ZINC000048739417 391478613 /nfs/dbraw/zinc/47/86/13/391478613.db2.gz IIXNPAVMSLHDNA-LBPRGKRZSA-N 1 1 294.351 1.313 40 0 CDABMO O=C(C[NH+]1CCCC1)N1CCNC[C@H]1c1ccccc1 ZINC000257317855 392978167 /nfs/dbraw/zinc/97/81/67/392978167.db2.gz VLMDQUFRIKUZJP-HNNXBMFYSA-N 1 1 273.380 1.255 40 0 CDABMO COC(=O)[C@H](C)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000035622886 172304471 /nfs/dbraw/zinc/30/44/71/172304471.db2.gz QHQABJVSGUGKSW-MNOVXSKESA-N 1 1 286.372 1.395 40 0 CDABMO OCC[N@H+]1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355781 176374972 /nfs/dbraw/zinc/37/49/72/176374972.db2.gz MCXCFQXPQXTEJD-CQSZACIVSA-N 1 1 270.336 1.668 40 0 CDABMO CNc1ccc(C[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nn1 ZINC000072356672 176375884 /nfs/dbraw/zinc/37/58/84/176375884.db2.gz LLRLHHUXSRSINL-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1ccc(C[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nn1 ZINC000072356672 176375886 /nfs/dbraw/zinc/37/58/86/176375886.db2.gz LLRLHHUXSRSINL-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO COCCn1cnnc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072361121 176377116 /nfs/dbraw/zinc/37/71/16/176377116.db2.gz ZVYLNHAQEQFOES-LBPRGKRZSA-N 1 1 252.362 1.717 40 0 CDABMO COc1ccccc1OC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072367778 176382125 /nfs/dbraw/zinc/38/21/25/176382125.db2.gz LEUKYPVRKVONTF-GFCCVEGCSA-N 1 1 278.352 1.271 40 0 CDABMO COc1ccccc1OC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072367778 176382126 /nfs/dbraw/zinc/38/21/26/176382126.db2.gz LEUKYPVRKVONTF-GFCCVEGCSA-N 1 1 278.352 1.271 40 0 CDABMO O=C([C@@H]1CCC[N@@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000072367920 176382781 /nfs/dbraw/zinc/38/27/81/176382781.db2.gz KTEUFINUROLFFJ-OAHLLOKOSA-N 1 1 273.380 1.916 40 0 CDABMO CN(C)c1ncc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000072369532 176384328 /nfs/dbraw/zinc/38/43/28/176384328.db2.gz AYJQIRZWWSOVMB-CYBMUJFWSA-N 1 1 286.383 1.645 40 0 CDABMO C[N@H+]1CCC[C@H](c2nccnc2NCC(F)F)C1 ZINC000072386922 176392787 /nfs/dbraw/zinc/39/27/87/176392787.db2.gz QETORALZVSLSHO-VIFPVBQESA-N 1 1 256.300 1.963 40 0 CDABMO CC(=O)N1CCO[C@@]2(CCC[N@H+](CC(C)C)C2)C1 ZINC000063527589 277000823 /nfs/dbraw/zinc/00/08/23/277000823.db2.gz AODMSANYAFMLAM-CQSZACIVSA-N 1 1 254.374 1.356 40 0 CDABMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000096058276 277245112 /nfs/dbraw/zinc/24/51/12/277245112.db2.gz MFGGJYWYUWBNMD-HZSPNIEDSA-N 1 1 294.420 1.721 40 0 CDABMO CC(C)CC(=O)N1CC[C@@H]2[C@H](C1)CCCC[N@H+]2CC(N)=O ZINC000257246073 277343538 /nfs/dbraw/zinc/34/35/38/277343538.db2.gz ISJDRMXWOVHQDK-UONOGXRCSA-N 1 1 295.427 1.221 40 0 CDABMO C[C@H](O)C[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC000096071877 290085774 /nfs/dbraw/zinc/08/57/74/290085774.db2.gz JXYKAAZUXKAMII-AWEZNQCLSA-N 1 1 290.411 1.540 40 0 CDABMO O=C(C[NH+]1CCCC1)N1CCNC[C@@H]1c1ccccc1 ZINC000257317856 295498591 /nfs/dbraw/zinc/49/85/91/295498591.db2.gz VLMDQUFRIKUZJP-OAHLLOKOSA-N 1 1 273.380 1.255 40 0 CDABMO CSC[C@H]1C[N@@H+](Cc2c[nH]c3c2ncnc3N)CC1O ZINC001560403766 960944854 /nfs/dbraw/zinc/94/48/54/960944854.db2.gz SMYJXAGKDHBWOE-SECBINFHSA-N 1 1 292.388 1.239 40 0 CDABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)o1 ZINC000096184706 342557842 /nfs/dbraw/zinc/55/78/42/342557842.db2.gz SJVIKYACVSWFSP-QWHCGFSZSA-N 1 1 284.381 1.196 40 0 CDABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)o1 ZINC000096184706 342557843 /nfs/dbraw/zinc/55/78/43/342557843.db2.gz SJVIKYACVSWFSP-QWHCGFSZSA-N 1 1 284.381 1.196 40 0 CDABMO COCCN1CC[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2C1=O ZINC000096054611 185075487 /nfs/dbraw/zinc/07/54/87/185075487.db2.gz ZVMKTLDEFJZKHF-KBPBESRZSA-N 1 1 278.352 1.206 40 0 CDABMO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccs1 ZINC000096056486 185077701 /nfs/dbraw/zinc/07/77/01/185077701.db2.gz JYDBKOJEYOWZFZ-ZIAGYGMSSA-N 1 1 294.420 1.960 40 0 CDABMO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC2)O1)N1CCCCO1 ZINC000096057400 185077742 /nfs/dbraw/zinc/07/77/42/185077742.db2.gz PSMRLIJLYGBICM-KFWWJZLASA-N 1 1 294.395 1.572 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2ccccn2)[C@H]1Cc1cccnc1 ZINC000096061635 185083056 /nfs/dbraw/zinc/08/30/56/185083056.db2.gz ZPQHUGZRGSXEFD-HOTGVXAUSA-N 1 1 269.348 1.655 40 0 CDABMO CN(C)C(=O)[C@]1(C)C[N@@H+](CC2(O)CCCCCC2)CCO1 ZINC000585282921 342258518 /nfs/dbraw/zinc/25/85/18/342258518.db2.gz JTANTOXNTBKEJW-HNNXBMFYSA-N 1 1 298.427 1.251 40 0 CDABMO Cc1[nH+]ccn1-c1ncncc1I ZINC000085468181 282200678 /nfs/dbraw/zinc/20/06/78/282200678.db2.gz HYVKOZVQTZIOQS-UHFFFAOYSA-N 1 1 286.076 1.575 40 0 CDABMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCN1CCOC1=O ZINC000076325337 362102004 /nfs/dbraw/zinc/10/20/04/362102004.db2.gz PHRBDCPEMDIBGR-RYUDHWBXSA-N 1 1 256.346 1.064 40 0 CDABMO CC(C)[NH+]1CC2(C1)OCC[C@@H]2COc1ccccn1 ZINC000248140509 362154200 /nfs/dbraw/zinc/15/42/00/362154200.db2.gz BRJCBVCZYNDJIB-CYBMUJFWSA-N 1 1 262.353 1.960 40 0 CDABMO CC(C)NC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000004388392 363227162 /nfs/dbraw/zinc/22/71/62/363227162.db2.gz APGJCWYCMTVNFB-UHFFFAOYSA-N 1 1 276.380 1.495 40 0 CDABMO Cc1cc(N2CCN(Cc3nccn3C)CC2)nc(C)[nH+]1 ZINC000072368037 357830606 /nfs/dbraw/zinc/83/06/06/357830606.db2.gz HFOTXEOBGJEETR-UHFFFAOYSA-N 1 1 286.383 1.149 40 0 CDABMO OCC[N@@H+]1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226766 358723274 /nfs/dbraw/zinc/72/32/74/358723274.db2.gz BMTCVLNLHAGCRF-INIZCTEOSA-N 1 1 294.370 1.489 40 0 CDABMO OCC[N@H+]1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226766 358723276 /nfs/dbraw/zinc/72/32/76/358723276.db2.gz BMTCVLNLHAGCRF-INIZCTEOSA-N 1 1 294.370 1.489 40 0 CDABMO COCC[N@H+]1CC[C@]12CCN(C(=O)Cc1cccs1)C2 ZINC000096228661 358724067 /nfs/dbraw/zinc/72/40/67/358724067.db2.gz YEKDKFVZQKGIAO-HNNXBMFYSA-N 1 1 294.420 1.614 40 0 CDABMO CC[N@H+]1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC000096244446 358725051 /nfs/dbraw/zinc/72/50/51/358725051.db2.gz IKYWVZIEWBTCAP-OAHLLOKOSA-N 1 1 276.384 1.345 40 0 CDABMO c1ccn(Cc2nnc3n2CCC[N@H+](CC2CC2)C3)c1 ZINC000096259635 358728267 /nfs/dbraw/zinc/72/82/67/358728267.db2.gz BMULRNPHUOXWEY-UHFFFAOYSA-N 1 1 271.368 1.744 40 0 CDABMO COCCN1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC000096259417 358728306 /nfs/dbraw/zinc/72/83/06/358728306.db2.gz LGPFZIOHRHWWST-UHFFFAOYSA-N 1 1 292.427 1.767 40 0 CDABMO CCc1ncnc(N2CC[NH+](C(C)C)CC2)c1F ZINC000301886467 201248721 /nfs/dbraw/zinc/24/87/21/201248721.db2.gz PCBCZWYXLDMIGV-UHFFFAOYSA-N 1 1 252.337 1.709 40 0 CDABMO C[C@@H](Cc1cccs1)[N@@H+](C)CCn1cncn1 ZINC000081575208 374061082 /nfs/dbraw/zinc/06/10/82/374061082.db2.gz MVRJCEVJTMIGIX-NSHDSACASA-N 1 1 250.371 1.903 40 0 CDABMO Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccsc1)CC2 ZINC000306126917 374968334 /nfs/dbraw/zinc/96/83/34/374968334.db2.gz FIWNJNYAZCZKMD-UHFFFAOYSA-N 1 1 275.377 1.443 40 0 CDABMO Cc1cc(N)cc([C@H]2CN(Cc3cc[nH]n3)CCO2)[nH+]1 ZINC000257228864 190016399 /nfs/dbraw/zinc/01/63/99/190016399.db2.gz FVOUBNPSNPNNCG-CQSZACIVSA-N 1 1 273.340 1.269 40 0 CDABMO Cc1n[nH]cc1CN1CCO[C@@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257248007 190020123 /nfs/dbraw/zinc/02/01/23/190020123.db2.gz JBQLJIMODBEZRM-OAHLLOKOSA-N 1 1 287.367 1.577 40 0 CDABMO OCC[N@H+]1CCOC[C@@H](Cc2cccc(F)c2)C1 ZINC000257264483 190023096 /nfs/dbraw/zinc/02/30/96/190023096.db2.gz LUOCDGBZAUMKJC-ZDUSSCGKSA-N 1 1 253.317 1.309 40 0 CDABMO Cc1cc(C)nc([C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257290425 190028063 /nfs/dbraw/zinc/02/80/63/190028063.db2.gz QCXGKNFWFKIFLE-CQSZACIVSA-N 1 1 288.395 1.505 40 0 CDABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257290425 190028064 /nfs/dbraw/zinc/02/80/64/190028064.db2.gz QCXGKNFWFKIFLE-CQSZACIVSA-N 1 1 288.395 1.505 40 0 CDABMO CCn1cc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257316309 190033000 /nfs/dbraw/zinc/03/30/00/190033000.db2.gz VFAADGJUSSYEKO-GFCCVEGCSA-N 1 1 259.357 1.924 40 0 CDABMO CSCC(=O)N1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2C1 ZINC000108527304 390613589 /nfs/dbraw/zinc/61/35/89/390613589.db2.gz AJBVCTMOIWYYTB-STQMWFEESA-N 1 1 284.425 1.061 40 0 CDABMO CSCC(=O)N1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2C1 ZINC000108527304 390613592 /nfs/dbraw/zinc/61/35/92/390613592.db2.gz AJBVCTMOIWYYTB-STQMWFEESA-N 1 1 284.425 1.061 40 0 CDABMO C[N@@H+]1CCOC[C@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1 ZINC000257299075 391649815 /nfs/dbraw/zinc/64/98/15/391649815.db2.gz ROQUMOZTAGAJPI-CQSZACIVSA-N 1 1 296.754 1.997 40 0 CDABMO C[N@H+]1CCOC[C@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1 ZINC000257299075 391649820 /nfs/dbraw/zinc/64/98/20/391649820.db2.gz ROQUMOZTAGAJPI-CQSZACIVSA-N 1 1 296.754 1.997 40 0 CDABMO COC[C@@]1([NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000242688497 391944769 /nfs/dbraw/zinc/94/47/69/391944769.db2.gz VQQPKIRSACCTKV-UTUOFQBUSA-N 1 1 289.784 1.194 40 0 CDABMO CC[N@@H+](Cc1ccc2c(c1)CCO2)[C@@H]1CCNC1=O ZINC000442960251 392355303 /nfs/dbraw/zinc/35/53/03/392355303.db2.gz HBNTWOWSYQFRKB-CYBMUJFWSA-N 1 1 260.337 1.332 40 0 CDABMO C[C@@H]1CC(C)(C)CN1C(=O)NCC[NH+]1CCSCC1 ZINC000334576792 287215361 /nfs/dbraw/zinc/21/53/61/287215361.db2.gz IEEYPRSQNJCVPX-GFCCVEGCSA-N 1 1 285.457 1.865 40 0 CDABMO O=C(COC[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCOCC1 ZINC000005382567 170092583 /nfs/dbraw/zinc/09/25/83/170092583.db2.gz UZCRBOXJXRSIAX-CABCVRRESA-N 1 1 296.411 1.126 40 0 CDABMO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C)n2)cn1 ZINC000035425842 172193586 /nfs/dbraw/zinc/19/35/86/172193586.db2.gz LWGJJBGGMIQSGW-JTQLQIEISA-N 1 1 260.297 1.907 40 0 biogenic,in-vitro CDABMO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3C)n2)cn1 ZINC000035425842 172193589 /nfs/dbraw/zinc/19/35/89/172193589.db2.gz LWGJJBGGMIQSGW-JTQLQIEISA-N 1 1 260.297 1.907 40 0 biogenic,in-vitro CDABMO CC[N@H+]1CCC[C@](O)(CNCc2ccccc2F)C1 ZINC000046087886 175392541 /nfs/dbraw/zinc/39/25/41/175392541.db2.gz RPSNYSMNORUSSR-HNNXBMFYSA-N 1 1 266.360 1.762 40 0 CDABMO O=C1NCC[NH2+][C@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072352874 176374494 /nfs/dbraw/zinc/37/44/94/176374494.db2.gz XUBGLFCIOUSXQS-HNNXBMFYSA-N 1 1 267.332 1.379 40 0 CDABMO OCC[N@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377403 176385979 /nfs/dbraw/zinc/38/59/79/176385979.db2.gz CXQAYBQIKAGLAA-GFCCVEGCSA-N 1 1 286.339 1.139 40 0 CDABMO Cc1noc([C@]2(C)CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072385831 176390605 /nfs/dbraw/zinc/39/06/05/176390605.db2.gz ASAIKGKLPNQMMW-CQSZACIVSA-N 1 1 275.356 1.665 40 0 CDABMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2ccon2)C1 ZINC000077957561 177312939 /nfs/dbraw/zinc/31/29/39/177312939.db2.gz KSBGSSZZWSXUAU-LLVKDONJSA-N 1 1 268.313 1.188 40 0 CDABMO CCO[C@H]1C[N@@H+](Cc2cnn(C)c2)[C@@H]2CCCO[C@@H]21 ZINC000096057432 276360120 /nfs/dbraw/zinc/36/01/20/276360120.db2.gz UWLAJSWVYSGAEX-RDBSUJKOSA-N 1 1 265.357 1.188 40 0 CDABMO COCC(=O)N1CCC[C@]2(C[C@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000107790601 277195403 /nfs/dbraw/zinc/19/54/03/277195403.db2.gz HMKYSGSLGKCSAA-CJNGLKHVSA-N 1 1 296.411 1.125 40 0 CDABMO C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000095627612 289112505 /nfs/dbraw/zinc/11/25/05/289112505.db2.gz TUUONFWQAVHAFN-UHFFFAOYSA-N 1 1 250.342 1.768 40 0 CDABMO C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000095627612 289112509 /nfs/dbraw/zinc/11/25/09/289112509.db2.gz TUUONFWQAVHAFN-UHFFFAOYSA-N 1 1 250.342 1.768 40 0 CDABMO Cc1cc[nH+]c(NCN2c3ccccc3C(=O)C2=O)c1 ZINC000095115912 1174496419 /nfs/dbraw/zinc/49/64/19/1174496419.db2.gz UGGOVUMQINCDGE-UHFFFAOYSA-N 1 1 267.288 1.989 40 0 CDABMO [NH3+][C@@H](c1nc(Cn2cncn2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533973 185006616 /nfs/dbraw/zinc/00/66/16/185006616.db2.gz KVONAQANIZRGSB-LLVKDONJSA-N 1 1 289.730 1.146 40 0 CDABMO COCCN1CC[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]2C1=O ZINC000096054609 185076303 /nfs/dbraw/zinc/07/63/03/185076303.db2.gz UIVMANVPTQSQHT-JSGCOSHPSA-N 1 1 278.352 1.206 40 0 CDABMO Cn1cccc1C[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC000096063662 185083549 /nfs/dbraw/zinc/08/35/49/185083549.db2.gz RNQGWKFSOYVKCI-OKILXGFUSA-N 1 1 299.374 1.822 40 0 CDABMO CC(C)N1C[C@@]2(CCC[N@H+](Cc3nccn3C)C2)C1=O ZINC000585099648 342212245 /nfs/dbraw/zinc/21/22/45/342212245.db2.gz UQSPZNJILNSHDR-HNNXBMFYSA-N 1 1 276.384 1.253 40 0 CDABMO CC(C)N1C[C@@]2(CCC[N@@H+](Cc3nccn3C)C2)C1=O ZINC000585099648 342212246 /nfs/dbraw/zinc/21/22/46/342212246.db2.gz UQSPZNJILNSHDR-HNNXBMFYSA-N 1 1 276.384 1.253 40 0 CDABMO Cc1ccc(N2CC[C@@H]3[C@H](CC2)OCC[N@@H+]3C)nn1 ZINC000248053828 362146086 /nfs/dbraw/zinc/14/60/86/362146086.db2.gz RUAFSQMCKDJSHL-OLZOCXBDSA-N 1 1 262.357 1.084 40 0 CDABMO C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000247962399 362140878 /nfs/dbraw/zinc/14/08/78/362140878.db2.gz FWARSUXQPVHYOF-CABCVRRESA-N 1 1 262.353 1.961 40 0 CDABMO COC[C@@H]1CC[N@@H+](C)C2(CN(Cc3ccccn3)C2)C1 ZINC000248126664 362153208 /nfs/dbraw/zinc/15/32/08/362153208.db2.gz LXWFBLRBMKNSSY-CQSZACIVSA-N 1 1 275.396 1.624 40 0 CDABMO COC(=O)[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000355132738 362310776 /nfs/dbraw/zinc/31/07/76/362310776.db2.gz AKOCVWPOCQNYMT-NSHDSACASA-N 1 1 255.358 1.877 40 0 CDABMO COC(=O)[C@@H]([NH3+])C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000044329082 347058197 /nfs/dbraw/zinc/05/81/97/347058197.db2.gz DXIPFEWXUZOSON-MNOVXSKESA-N 1 1 286.372 1.524 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)[C@@H](C)Oc1ccccc1 ZINC000052192725 362480540 /nfs/dbraw/zinc/48/05/40/362480540.db2.gz LSBCUGCHTGIUEM-GFCCVEGCSA-N 1 1 273.336 1.775 40 0 CDABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257321501 362586234 /nfs/dbraw/zinc/58/62/34/362586234.db2.gz WBXXKIJWURYMFE-NSHDSACASA-N 1 1 257.341 1.984 40 0 CDABMO CC[N@H+]1CCC[C@@](C)(c2nncn2CCOC)C1 ZINC000205703090 348744062 /nfs/dbraw/zinc/74/40/62/348744062.db2.gz JYAGAJYGLASLHM-CYBMUJFWSA-N 1 1 252.362 1.298 40 0 CDABMO CC(=O)N1CCC[C@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC000107282637 186165327 /nfs/dbraw/zinc/16/53/27/186165327.db2.gz OBSBYWZZUYLNOL-HUUCEWRRSA-N 1 1 266.385 1.357 40 0 CDABMO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000022030735 356597929 /nfs/dbraw/zinc/59/79/29/356597929.db2.gz SVDQKJGGPAZMQT-OAHLLOKOSA-N 1 1 292.423 1.797 40 0 CDABMO O=C(N[C@H]1CCC[N@H+](CCO)C1)OCc1ccccc1 ZINC000079410885 356993906 /nfs/dbraw/zinc/99/39/06/356993906.db2.gz MKKLGXKQIBLBPW-AWEZNQCLSA-N 1 1 278.352 1.370 40 0 CDABMO CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(CCO)C1 ZINC000079414208 356994149 /nfs/dbraw/zinc/99/41/49/356994149.db2.gz JUHQOVHXDNEWLX-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCOCC2)CC(C)(C)C1 ZINC000036289679 291150985 /nfs/dbraw/zinc/15/09/85/291150985.db2.gz QPTSRHWWGLKBRG-ZNMIVQPWSA-N 1 1 285.428 1.911 40 0 CDABMO c1cncc(CO[C@H]2C[N@@H+]([C@@H]3CCOC3)[C@@H]3COC[C@H]23)c1 ZINC000096185075 358714319 /nfs/dbraw/zinc/71/43/19/358714319.db2.gz ATODGBHDLSAECW-QXSJWSMHSA-N 1 1 290.363 1.086 40 0 CDABMO CCc1ccc(C[N@H+]2C[C@@H](C)[C@@]3(CCNC3=O)C2)o1 ZINC000096201620 358718108 /nfs/dbraw/zinc/71/81/08/358718108.db2.gz WNYIQWKXGCQBAK-IAQYHMDHSA-N 1 1 262.353 1.800 40 0 CDABMO CN(C)[C@@H]1CC[N@H+](C2CCOCC2)[C@H]1Cc1cnn(C)c1 ZINC000096200926 358718526 /nfs/dbraw/zinc/71/85/26/358718526.db2.gz JNTPARRWIPOGIF-CVEARBPZSA-N 1 1 292.427 1.146 40 0 CDABMO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2C2CCOCC2)cn1 ZINC000096200926 358718529 /nfs/dbraw/zinc/71/85/29/358718529.db2.gz JNTPARRWIPOGIF-CVEARBPZSA-N 1 1 292.427 1.146 40 0 CDABMO C[N@H+]1CCC[C@]2(CN(C(=O)C3CCCCC3)CCO2)C1 ZINC000096268588 358730729 /nfs/dbraw/zinc/73/07/29/358730729.db2.gz PQAYDGUOERBNSR-MRXNPFEDSA-N 1 1 280.412 1.890 40 0 CDABMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccsn2)CCCO1 ZINC000296937382 200040390 /nfs/dbraw/zinc/04/03/90/200040390.db2.gz XIFSDKZICIMZGG-LLVKDONJSA-N 1 1 283.397 1.374 40 0 CDABMO C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000305212684 364891041 /nfs/dbraw/zinc/89/10/41/364891041.db2.gz HMOSRHFGTRUENM-CJNGLKHVSA-N 1 1 294.395 1.078 40 0 CDABMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)CC(F)(F)F)CN1 ZINC000330945259 203408885 /nfs/dbraw/zinc/40/88/85/203408885.db2.gz GVYVJCWIBVRNTI-AXFHLTTASA-N 1 1 294.317 1.290 40 0 CDABMO CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2([NH3+])COC)cc1 ZINC000218493710 372913310 /nfs/dbraw/zinc/91/33/10/372913310.db2.gz DVJULQOTMMBCMX-HZSPNIEDSA-N 1 1 283.393 1.103 40 0 CDABMO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@]1([NH3+])COC ZINC000218580246 373037645 /nfs/dbraw/zinc/03/76/45/373037645.db2.gz PHUVZNWYQZQNBN-AGIUHOORSA-N 1 1 287.356 1.070 40 0 CDABMO CCOc1ccc(CC(=O)NCCn2cc[nH+]c2C)cc1 ZINC000049460897 373999648 /nfs/dbraw/zinc/99/96/48/373999648.db2.gz OTDKHAJLDAPHGS-UHFFFAOYSA-N 1 1 287.363 1.949 40 0 CDABMO COC(C[N@H+]1CCCN(c2ncccc2F)CC1)OC ZINC000225489067 374496272 /nfs/dbraw/zinc/49/62/72/374496272.db2.gz COYVGDCKHCISMS-UHFFFAOYSA-N 1 1 283.347 1.352 40 0 CDABMO CNc1cc(C)[nH+]c([C@H]2CN(Cc3cc[nH]n3)CCO2)c1 ZINC000257207520 190011553 /nfs/dbraw/zinc/01/15/53/190011553.db2.gz BICXWCNYVICLBT-OAHLLOKOSA-N 1 1 287.367 1.728 40 0 CDABMO Cc1nc[nH]c1C[N@H+]1CC[C@H](c2nccc(C)n2)C1 ZINC000257210029 190012346 /nfs/dbraw/zinc/01/23/46/190012346.db2.gz BSVFWDSMJNAJIN-LBPRGKRZSA-N 1 1 257.341 1.806 40 0 CDABMO CCn1cc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)c(C)n1 ZINC000257209812 190012662 /nfs/dbraw/zinc/01/26/62/190012662.db2.gz BRYSIEYZYRMCNC-HOTGVXAUSA-N 1 1 293.411 1.981 40 0 CDABMO CC[N@@H+](CCO)Cc1ccnc([C@@H]2CCCOC2)n1 ZINC000257268318 190024258 /nfs/dbraw/zinc/02/42/58/190024258.db2.gz MLDBJWYUFGVONA-GFCCVEGCSA-N 1 1 265.357 1.185 40 0 CDABMO C[N@H+]1CCN(Cc2ccc3ccccc3n2)C[C@@H](C(N)=O)C1 ZINC000257304259 190030484 /nfs/dbraw/zinc/03/04/84/190030484.db2.gz SKUDIFVFQFTURI-AWEZNQCLSA-N 1 1 298.390 1.084 40 0 CDABMO CN1CC[N@H+](Cc2ccc3ccccc3n2)C[C@@H](C(N)=O)C1 ZINC000257304259 190030485 /nfs/dbraw/zinc/03/04/85/190030485.db2.gz SKUDIFVFQFTURI-AWEZNQCLSA-N 1 1 298.390 1.084 40 0 CDABMO CN1CC[N@@H+](Cc2ccc3ccccc3n2)C[C@@H](C(N)=O)C1 ZINC000257304259 190030486 /nfs/dbraw/zinc/03/04/86/190030486.db2.gz SKUDIFVFQFTURI-AWEZNQCLSA-N 1 1 298.390 1.084 40 0 CDABMO Cn1nccc1-c1cncc(C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257317707 190032371 /nfs/dbraw/zinc/03/23/71/190032371.db2.gz VKVLPGJQNFBMRY-LBPRGKRZSA-N 1 1 271.368 1.761 40 0 CDABMO OCCc1cc([C@@H]2CC[N@H+](C3CCCC3)C2)no1 ZINC000257326523 190034595 /nfs/dbraw/zinc/03/45/95/190034595.db2.gz WXNJTROKYPDEQG-LLVKDONJSA-N 1 1 250.342 1.941 40 0 CDABMO CC(C)CC(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000224250826 376317709 /nfs/dbraw/zinc/31/77/09/376317709.db2.gz JLDRFRCEVXQDAJ-UHFFFAOYSA-N 1 1 277.372 1.213 40 0 CDABMO CC[NH+](CC)C1(Cc2cc(C(C)(C)O)on2)COC1 ZINC000067897894 377286806 /nfs/dbraw/zinc/28/68/06/377286806.db2.gz QCXVGHZJMBMWAW-UHFFFAOYSA-N 1 1 268.357 1.555 40 0 biogenic,in-vitro CDABMO CC[N@H+]1CCOC[C@]2(CCCN(c3nncs3)C2)C1 ZINC000096229356 256830025 /nfs/dbraw/zinc/83/00/25/256830025.db2.gz GJLTVYVIORXLQH-CYBMUJFWSA-N 1 1 282.413 1.477 40 0 CDABMO CC[C@H](O)c1c[nH+]c(N2CCN(C=O)CC2)cc1C ZINC000072223681 390624244 /nfs/dbraw/zinc/62/42/44/390624244.db2.gz HYXKDPPDVDDCOW-ZDUSSCGKSA-N 1 1 263.341 1.112 40 0 CDABMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CCCC3)CC2)C1 ZINC000081432270 390946734 /nfs/dbraw/zinc/94/67/34/390946734.db2.gz JYQGBEDFWKYKPO-CYBMUJFWSA-N 1 1 266.385 1.500 40 0 CDABMO C[N@H+]1CCO[C@@H](C(=O)N2CCC3(CCCC3)CC2)C1 ZINC000081432270 390946735 /nfs/dbraw/zinc/94/67/35/390946735.db2.gz JYQGBEDFWKYKPO-CYBMUJFWSA-N 1 1 266.385 1.500 40 0 CDABMO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1cnn(C)c1 ZINC000096081914 390912676 /nfs/dbraw/zinc/91/26/76/390912676.db2.gz AHLHTZHQRRSCAB-TTZDDIAXSA-N 1 1 292.427 1.561 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(C)c2)CC1 ZINC000009140108 391811161 /nfs/dbraw/zinc/81/11/61/391811161.db2.gz FSQRFMPEOOXRDT-UHFFFAOYSA-N 1 1 262.353 1.781 40 0 CDABMO COc1ccccc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000022829381 171399877 /nfs/dbraw/zinc/39/98/77/171399877.db2.gz QOYRMJJXOBKIRK-UHFFFAOYSA-N 1 1 291.395 1.063 40 0 CDABMO COCc1nc(C2CC[NH+](Cc3cnn(C)c3)CC2)no1 ZINC000072364276 176379051 /nfs/dbraw/zinc/37/90/51/176379051.db2.gz SYSKMFSTKPHMSL-UHFFFAOYSA-N 1 1 291.355 1.329 40 0 CDABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(C)C ZINC000072367722 176382857 /nfs/dbraw/zinc/38/28/57/176382857.db2.gz KKADVFXPDFSQGJ-OAHLLOKOSA-N 1 1 275.396 1.327 40 0 CDABMO NC(=O)C[N@@H+]1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000072379428 176386466 /nfs/dbraw/zinc/38/64/66/176386466.db2.gz IQPKVWYGKAVREE-AWEZNQCLSA-N 1 1 282.347 1.766 40 0 CDABMO NC(=O)C[N@H+]1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000072379428 176386467 /nfs/dbraw/zinc/38/64/67/176386467.db2.gz IQPKVWYGKAVREE-AWEZNQCLSA-N 1 1 282.347 1.766 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)cc1F ZINC000072397664 176394973 /nfs/dbraw/zinc/39/49/73/176394973.db2.gz VJVHQBVGMRIQIJ-LERXQTSPSA-N 1 1 282.334 1.604 40 0 CDABMO CCOc1ccccc1CN1C[C@H]2C[C@@H](O)C[N@H+]2C[C@H]1C ZINC000072397639 176395179 /nfs/dbraw/zinc/39/51/79/176395179.db2.gz YHFBDIDDXVRNDG-FVQBIDKESA-N 1 1 290.407 1.725 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccccc1F ZINC000072397567 176395186 /nfs/dbraw/zinc/39/51/86/176395186.db2.gz NATSZFVMWUSTQR-FPMFFAJLSA-N 1 1 264.344 1.465 40 0 CDABMO CCOc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)cc1 ZINC000072397574 176395284 /nfs/dbraw/zinc/39/52/84/176395284.db2.gz QQIFUIXIROAAQF-CWRNSKLLSA-N 1 1 290.407 1.725 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(F)c1 ZINC000072397632 176395300 /nfs/dbraw/zinc/39/53/00/176395300.db2.gz JGYRAOGEWYUKGQ-KCPJHIHWSA-N 1 1 264.344 1.465 40 0 CDABMO Brc1ccc2c(c1)CC[NH2+]C21COC1 ZINC000095768108 275370778 /nfs/dbraw/zinc/37/07/78/275370778.db2.gz PQBSUXXEXLUCPE-UHFFFAOYSA-N 1 1 254.127 1.820 40 0 CDABMO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)O1 ZINC000096057531 277252979 /nfs/dbraw/zinc/25/29/79/277252979.db2.gz WQQRBXLWWSGCEW-RBSFLKMASA-N 1 1 292.354 1.694 40 0 CDABMO COc1ccccc1[C@H]1CN(c2ncccn2)CC[N@@H+]1C ZINC000072366661 278063103 /nfs/dbraw/zinc/06/31/03/278063103.db2.gz AZZSRSHEOHCCDJ-CQSZACIVSA-N 1 1 284.363 1.978 40 0 CDABMO COc1ccccc1[C@H]1CN(c2ncccn2)CC[N@H+]1C ZINC000072366661 278063105 /nfs/dbraw/zinc/06/31/05/278063105.db2.gz AZZSRSHEOHCCDJ-CQSZACIVSA-N 1 1 284.363 1.978 40 0 CDABMO Cn1ccc(C[N@H+](C)[C@H]2CCCN(c3ccccn3)C2)n1 ZINC000257243538 570324369 /nfs/dbraw/zinc/32/43/69/570324369.db2.gz IHLGPPNQNYTNLI-HNNXBMFYSA-N 1 1 285.395 1.916 40 0 CDABMO Cn1ccc(C[N@@H+](C)[C@H]2CCCN(c3ccccn3)C2)n1 ZINC000257243538 570324370 /nfs/dbraw/zinc/32/43/70/570324370.db2.gz IHLGPPNQNYTNLI-HNNXBMFYSA-N 1 1 285.395 1.916 40 0 CDABMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](CCc1ccccc1)C2 ZINC000096038768 185069271 /nfs/dbraw/zinc/06/92/71/185069271.db2.gz VKUMSPGGQPKVBC-NVXWUHKLSA-N 1 1 288.391 1.456 40 0 CDABMO c1cnc(N[C@@H]2CO[C@@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096047751 185072339 /nfs/dbraw/zinc/07/23/39/185072339.db2.gz PUMJTAWIVWYEPX-ZFWWWQNUSA-N 1 1 274.368 1.532 40 0 CDABMO O=C1CC[C@]2(CCC[N@H+](Cc3nccs3)CC2)N1 ZINC000096047445 185072625 /nfs/dbraw/zinc/07/26/25/185072625.db2.gz RQTQITOBCVIHGM-ZDUSSCGKSA-N 1 1 265.382 1.778 40 0 CDABMO O=C1CC[C@]2(CCC[N@@H+](Cc3nccs3)CC2)N1 ZINC000096047445 185072627 /nfs/dbraw/zinc/07/26/27/185072627.db2.gz RQTQITOBCVIHGM-ZDUSSCGKSA-N 1 1 265.382 1.778 40 0 CDABMO CC(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@@H]21 ZINC000096080551 185091097 /nfs/dbraw/zinc/09/10/97/185091097.db2.gz VGKQIWWCSFBJTP-KBPBESRZSA-N 1 1 259.353 1.494 40 0 CDABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCC(=O)N2)CC1 ZINC000096100162 185097477 /nfs/dbraw/zinc/09/74/77/185097477.db2.gz GSEBKCBPBPAWEZ-HNNXBMFYSA-N 1 1 277.368 1.926 40 0 CDABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCC(=O)N2)CC1 ZINC000096100161 185097597 /nfs/dbraw/zinc/09/75/97/185097597.db2.gz GSEBKCBPBPAWEZ-OAHLLOKOSA-N 1 1 277.368 1.926 40 0 CDABMO Cc1cccc(OC[C@]2(O)CCC[N@@H+](CCC(N)=O)C2)c1 ZINC000585269051 342254454 /nfs/dbraw/zinc/25/44/54/342254454.db2.gz JCJGJYSXWLOBRC-INIZCTEOSA-N 1 1 292.379 1.076 40 0 CDABMO Cc1nc(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NC3CC3)C2)cs1 ZINC000107234150 186163916 /nfs/dbraw/zinc/16/39/16/186163916.db2.gz GGTZWWIWQJDTQZ-DZGCQCFKSA-N 1 1 291.420 1.942 40 0 CDABMO Cc1nc(C[N@H+]2CC[C@@]3(C[C@H]3C(=O)NC3CC3)C2)cs1 ZINC000107234150 186163918 /nfs/dbraw/zinc/16/39/18/186163918.db2.gz GGTZWWIWQJDTQZ-DZGCQCFKSA-N 1 1 291.420 1.942 40 0 CDABMO CCN1CCO[C@H]2CC[N@@H+](Cc3cccc(OC)n3)C[C@@H]21 ZINC000108524976 186220592 /nfs/dbraw/zinc/22/05/92/186220592.db2.gz VSYDPXCOZDCATF-GJZGRUSLSA-N 1 1 291.395 1.385 40 0 CDABMO C[C@@H]1C[C@H](NCc2nncn2-c2ccccc2)CC[N@H+]1C ZINC000152621672 188032433 /nfs/dbraw/zinc/03/24/33/188032433.db2.gz BNZSPDSGMKDABE-ZIAGYGMSSA-N 1 1 285.395 1.840 40 0 CDABMO COC[C@@H](O)C[N@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000031659680 356767856 /nfs/dbraw/zinc/76/78/56/356767856.db2.gz XWZVOCAEMFSLBH-ZFWWWQNUSA-N 1 1 264.369 1.204 40 0 CDABMO O=C(NCCC[NH+]1CCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000034118490 356809993 /nfs/dbraw/zinc/80/99/93/356809993.db2.gz KGHKTZJZPDWUCA-RDBSUJKOSA-N 1 1 266.385 1.261 40 0 CDABMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404199 356990127 /nfs/dbraw/zinc/99/01/27/356990127.db2.gz BSDLHNABWBXREX-HNNXBMFYSA-N 1 1 275.396 1.316 40 0 CDABMO CN(C[C@H]1CC[N@@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079410950 356993924 /nfs/dbraw/zinc/99/39/24/356993924.db2.gz IJYRZGMTUFEJPH-OAHLLOKOSA-N 1 1 292.379 1.569 40 0 CDABMO Cc1cc(NCCCCCC[NH3+])nc(N2CCOCC2)n1 ZINC000008731111 358388595 /nfs/dbraw/zinc/38/85/95/358388595.db2.gz HNKLXDAHXZNANO-UHFFFAOYSA-N 1 1 293.415 1.553 40 0 CDABMO COCCN1C(=O)CC[C@@]12CCC[N@@H+](CC1CC1)CC2 ZINC000096047532 358706218 /nfs/dbraw/zinc/70/62/18/358706218.db2.gz JJHWOLJYFGNYML-MRXNPFEDSA-N 1 1 280.412 1.890 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@]3(CCCC(=O)N3C)C2)cn1 ZINC000096049955 358707527 /nfs/dbraw/zinc/70/75/27/358707527.db2.gz JDBFWLALNHPJDF-OAHLLOKOSA-N 1 1 276.384 1.397 40 0 CDABMO C[C@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161632 358710942 /nfs/dbraw/zinc/71/09/42/358710942.db2.gz XBCJMRRVTVSQLB-TTZDDIAXSA-N 1 1 285.391 1.628 40 0 CDABMO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000096184486 358713636 /nfs/dbraw/zinc/71/36/36/358713636.db2.gz DHBONLQQELFTIT-KGLIPLIRSA-N 1 1 298.383 1.434 40 0 CDABMO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000096184486 358713640 /nfs/dbraw/zinc/71/36/40/358713640.db2.gz DHBONLQQELFTIT-KGLIPLIRSA-N 1 1 298.383 1.434 40 0 CDABMO CC(C)C[N@H+]1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253127 358727984 /nfs/dbraw/zinc/72/79/84/358727984.db2.gz YQSJACQIVVWOOV-HZSPNIEDSA-N 1 1 266.385 1.400 40 0 CDABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)C(=O)N1 ZINC000096261570 358729658 /nfs/dbraw/zinc/72/96/58/358729658.db2.gz QJVUKNUPLUMXNO-TYNCELHUSA-N 1 1 261.369 1.415 40 0 CDABMO CN1CCO[C@@]2(CCC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096268629 358730634 /nfs/dbraw/zinc/73/06/34/358730634.db2.gz TVESNFLBFNZSSQ-AWEZNQCLSA-N 1 1 250.342 1.576 40 0 CDABMO C[N@@H+]1CCO[C@@]2(CCCN(Cc3ccoc3)C2)C1 ZINC000096268629 358730639 /nfs/dbraw/zinc/73/06/39/358730639.db2.gz TVESNFLBFNZSSQ-AWEZNQCLSA-N 1 1 250.342 1.576 40 0 CDABMO C[N@H+]1CCO[C@@]2(CCCN(Cc3ccoc3)C2)C1 ZINC000096268629 358730643 /nfs/dbraw/zinc/73/06/43/358730643.db2.gz TVESNFLBFNZSSQ-AWEZNQCLSA-N 1 1 250.342 1.576 40 0 CDABMO OC[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CCC2(CCCCC2)O1 ZINC000225528335 359597958 /nfs/dbraw/zinc/59/79/58/359597958.db2.gz ONVICQYWLIWPIY-MJBXVCDLSA-N 1 1 269.385 1.296 40 0 CDABMO O=S1(=O)C=C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000082343730 359770344 /nfs/dbraw/zinc/77/03/44/359770344.db2.gz DFLQOAFWTDGPBI-LLVKDONJSA-N 1 1 257.742 1.740 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C ZINC000004476505 374316153 /nfs/dbraw/zinc/31/61/53/374316153.db2.gz NTXDKFXUCDASQF-CYBMUJFWSA-N 1 1 289.379 1.534 40 0 CDABMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000078664090 374710713 /nfs/dbraw/zinc/71/07/13/374710713.db2.gz QGXADEHNRWSRTO-CQSZACIVSA-N 1 1 294.830 1.951 40 0 CDABMO FCCn1nccc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256054160 190005218 /nfs/dbraw/zinc/00/52/18/190005218.db2.gz VDWCTYMHZHIESL-UHFFFAOYSA-N 1 1 287.289 1.604 40 0 CDABMO Cc1cc(C)nc([C@H]2C[N@H+](CC3CCOCC3)CCO2)n1 ZINC000257215898 190012753 /nfs/dbraw/zinc/01/27/53/190012753.db2.gz CSCHZNXUQYDHKT-OAHLLOKOSA-N 1 1 291.395 1.893 40 0 CDABMO Cc1cc(C)nc([C@H]2C[N@@H+](CC3CCOCC3)CCO2)n1 ZINC000257215898 190012754 /nfs/dbraw/zinc/01/27/54/190012754.db2.gz CSCHZNXUQYDHKT-OAHLLOKOSA-N 1 1 291.395 1.893 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2cncs2)CC[C@@]12CCCO2 ZINC000257252027 190020072 /nfs/dbraw/zinc/02/00/72/190020072.db2.gz JTGVSCICZWNZHH-STQMWFEESA-N 1 1 268.382 1.913 40 0 CDABMO Cc1cc(N)cc([C@@H]2CN(Cc3ccccn3)CCO2)[nH+]1 ZINC000257285676 190026760 /nfs/dbraw/zinc/02/67/60/190026760.db2.gz PIFSQJAEPXQWRG-INIZCTEOSA-N 1 1 284.363 1.941 40 0 CDABMO O=C1CO[C@H]2CC[N@@H+](CCOc3ccccc3)CC[C@@H]2N1 ZINC000257296655 190028363 /nfs/dbraw/zinc/02/83/63/190028363.db2.gz RDTMRUNSLRCQMC-GJZGRUSLSA-N 1 1 290.363 1.045 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3cc[nH]n3)C2)CC1 ZINC000257326862 190035008 /nfs/dbraw/zinc/03/50/08/190035008.db2.gz WYXZTKREYNWUPJ-LBPRGKRZSA-N 1 1 262.357 1.210 40 0 CDABMO CC(=O)N1CCC([N@@H+]2CC[C@H](c3ccn[nH]3)C2)CC1 ZINC000257326862 190035009 /nfs/dbraw/zinc/03/50/09/190035009.db2.gz WYXZTKREYNWUPJ-LBPRGKRZSA-N 1 1 262.357 1.210 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3ccn[nH]3)C2)CC1 ZINC000257326862 190035010 /nfs/dbraw/zinc/03/50/10/190035010.db2.gz WYXZTKREYNWUPJ-LBPRGKRZSA-N 1 1 262.357 1.210 40 0 CDABMO OCCc1cc([C@H]2CC[N@H+](C3CCCC3)C2)no1 ZINC000257326524 190035202 /nfs/dbraw/zinc/03/52/02/190035202.db2.gz WXNJTROKYPDEQG-NSHDSACASA-N 1 1 250.342 1.941 40 0 CDABMO Nc1[nH+]cc(Br)c(N)c1Br ZINC000027316598 390250661 /nfs/dbraw/zinc/25/06/61/390250661.db2.gz CDNZVHLUFVOIRU-UHFFFAOYSA-N 1 1 266.924 1.771 40 0 CDABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccn1)C2 ZINC000096061780 390912385 /nfs/dbraw/zinc/91/23/85/390912385.db2.gz UYMACCNCFQRPAP-UHFFFAOYSA-N 1 1 286.383 1.534 40 0 CDABMO Cc1cc(N2CCN(c3cnccn3)CC2)nc(C)[nH+]1 ZINC000044714493 134911537 /nfs/dbraw/zinc/91/15/37/134911537.db2.gz YDVNKPWWNMARAR-UHFFFAOYSA-N 1 1 270.340 1.210 40 0 CDABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000257268531 397607443 /nfs/dbraw/zinc/60/74/43/397607443.db2.gz MMDFPRSBRSXUEL-CYBMUJFWSA-N 1 1 262.401 1.992 40 0 CDABMO Cc1ccc(CN(C)c2cc[nH+]c(N3CCOCC3)n2)o1 ZINC000352409835 155168703 /nfs/dbraw/zinc/16/87/03/155168703.db2.gz MCRBAWSTGWEQOG-UHFFFAOYSA-N 1 1 288.351 1.851 40 0 CDABMO CNC(=O)[C@]1(C)CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000072346329 176373119 /nfs/dbraw/zinc/37/31/19/176373119.db2.gz YAHYBSMPIJHZQM-CQSZACIVSA-N 1 1 264.373 1.077 40 0 CDABMO Cc1nc(C2CC[NH+](Cc3cnn(C)c3)CC2)no1 ZINC000072364275 176378621 /nfs/dbraw/zinc/37/86/21/176378621.db2.gz JPEAJDCXBSDBEH-UHFFFAOYSA-N 1 1 261.329 1.491 40 0 CDABMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072367790 176382170 /nfs/dbraw/zinc/38/21/70/176382170.db2.gz UJLXYWWJNSRLCH-LLVKDONJSA-N 1 1 272.352 1.238 40 0 CDABMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072367790 176382171 /nfs/dbraw/zinc/38/21/71/176382171.db2.gz UJLXYWWJNSRLCH-LLVKDONJSA-N 1 1 272.352 1.238 40 0 CDABMO COc1ccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)cc1 ZINC000072397570 176394754 /nfs/dbraw/zinc/39/47/54/176394754.db2.gz VXPYDZKZWJSQAM-NWANDNLSSA-N 1 1 276.380 1.335 40 0 CDABMO O=C1C[C@H]([NH+]2CCCC2)C(=O)N1c1ccc(F)c(F)c1 ZINC000020634667 275020337 /nfs/dbraw/zinc/02/03/37/275020337.db2.gz JJIDRBLOPAZADR-LBPRGKRZSA-N 1 1 280.274 1.693 40 0 CDABMO C[N@@H+]1Cc2cccn2C[C@H](OCc2ccccn2)C1 ZINC000248140151 277213224 /nfs/dbraw/zinc/21/32/24/277213224.db2.gz QABPXBSHNGWTSY-OAHLLOKOSA-N 1 1 257.337 1.914 40 0 CDABMO CNC(=O)C(C)(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCCCC1 ZINC000225402596 277223034 /nfs/dbraw/zinc/22/30/34/277223034.db2.gz XUXLSGHXGOCVMT-ZDUSSCGKSA-N 1 1 295.427 1.424 40 0 biogenic,in-vitro CDABMO CNC(=O)C(C)(C)[N@H+]1CCC[C@H]1C(=O)NC1CCCCC1 ZINC000225402596 277223035 /nfs/dbraw/zinc/22/30/35/277223035.db2.gz XUXLSGHXGOCVMT-ZDUSSCGKSA-N 1 1 295.427 1.424 40 0 biogenic,in-vitro CDABMO Cc1c(N)n(-c2nc(C)cc(C)n2)nc1C[NH+](C)C ZINC000026512349 280225026 /nfs/dbraw/zinc/22/50/26/280225026.db2.gz XDALQOOKVVIFRQ-UHFFFAOYSA-N 1 1 260.345 1.231 40 0 CDABMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172240392 482497870 /nfs/dbraw/zinc/49/78/70/482497870.db2.gz URZDKIIIHARTFL-NDBYEHHHSA-N 1 1 252.358 1.297 40 0 CDABMO C[C@@H]1CCN(C=O)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC000226326533 1161446018 /nfs/dbraw/zinc/44/60/18/1161446018.db2.gz IWOOTPDLQXSWDV-PWSUYJOCSA-N 1 1 273.340 1.261 40 0 CDABMO C[N@@H+](Cc1[nH]nc2c1COCC2)[C@H]1CCSC1 ZINC000930093855 728467279 /nfs/dbraw/zinc/46/72/79/728467279.db2.gz NRERYHDNKMLWGS-VIFPVBQESA-N 1 1 253.371 1.420 40 0 CDABMO [NH3+][C@@H](c1nc(Cn2cccn2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533982 185006760 /nfs/dbraw/zinc/00/67/60/185006760.db2.gz OPGRSSIDJJUONS-GFCCVEGCSA-N 1 1 288.742 1.751 40 0 CDABMO CN(C)C(=O)C[N@@H+]1CCC12CCN(Cc1ccoc1)CC2 ZINC000096077976 185089774 /nfs/dbraw/zinc/08/97/74/185089774.db2.gz QYFWYAMUZCMPQG-UHFFFAOYSA-N 1 1 291.395 1.408 40 0 CDABMO CN(C)C(=O)C[N@H+]1CCC12CCN(Cc1ccoc1)CC2 ZINC000096077976 185089776 /nfs/dbraw/zinc/08/97/76/185089776.db2.gz QYFWYAMUZCMPQG-UHFFFAOYSA-N 1 1 291.395 1.408 40 0 CDABMO C[N@@H+]1Cc2cccn2C[C@H](CC(=O)NCc2ccco2)C1 ZINC000585099113 342212225 /nfs/dbraw/zinc/21/22/25/342212225.db2.gz MTVAOTRLWPGJOW-CYBMUJFWSA-N 1 1 287.363 1.849 40 0 CDABMO Cc1ccc(C[C@@H]2C[N@@H+](CCC(N)=O)CC[C@@H]2O)cc1 ZINC000585274963 342256030 /nfs/dbraw/zinc/25/60/30/342256030.db2.gz SGQYCESPRXAMLF-CABCVRRESA-N 1 1 276.380 1.096 40 0 CDABMO CNC(=O)C[C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1OC ZINC000585275968 342256192 /nfs/dbraw/zinc/25/61/92/342256192.db2.gz BXXZNKAGLAWUKO-HOTGVXAUSA-N 1 1 290.407 1.702 40 0 CDABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2CC1(O)CCOCC1 ZINC000585284679 342258561 /nfs/dbraw/zinc/25/85/61/342258561.db2.gz VASQHOGQWSYOPG-HUUCEWRRSA-N 1 1 296.411 1.003 40 0 CDABMO C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000247962401 362140270 /nfs/dbraw/zinc/14/02/70/362140270.db2.gz FWARSUXQPVHYOF-GJZGRUSLSA-N 1 1 262.353 1.961 40 0 CDABMO CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C)ncc2C1 ZINC000019501629 356487794 /nfs/dbraw/zinc/48/77/94/356487794.db2.gz RHDVCCUKFYHKID-CQSZACIVSA-N 1 1 288.395 1.928 40 0 CDABMO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+]3C)ncc2C1 ZINC000019501629 356487801 /nfs/dbraw/zinc/48/78/01/356487801.db2.gz RHDVCCUKFYHKID-CQSZACIVSA-N 1 1 288.395 1.928 40 0 CDABMO Cc1[nH+]ccn1[C@@H](C(=O)NCC1(C)COC1)c1ccccc1 ZINC000019718824 356497126 /nfs/dbraw/zinc/49/71/26/356497126.db2.gz XKUFCCDOBOGCFY-OAHLLOKOSA-N 1 1 299.374 1.934 40 0 CDABMO OCCNCC[NH2+]Cc1ccc(Br)cc1 ZINC000023263537 356639220 /nfs/dbraw/zinc/63/92/20/356639220.db2.gz DCBFMNCHYYKNSK-UHFFFAOYSA-N 1 1 273.174 1.121 40 0 CDABMO C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OC(=O)[C@@H](CO)c2ccccc2)[N@H+]1C ZINC000064219004 357521604 /nfs/dbraw/zinc/52/16/04/357521604.db2.gz UCNICTRUGOWRPO-AKSVOJBYSA-N 1 1 289.375 1.787 40 0 CDABMO Cc1nc(C[NH+]2CCC3(CCNC3=O)CC2)cs1 ZINC000096157703 358710323 /nfs/dbraw/zinc/71/03/23/358710323.db2.gz CWSCTUDHGQUTJI-UHFFFAOYSA-N 1 1 265.382 1.554 40 0 CDABMO Cc1noc(C)c1C[N@@H+]1C[C@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC000096185025 358714199 /nfs/dbraw/zinc/71/41/99/358714199.db2.gz PWTHKHWMHPTMPH-XHSDSOJGSA-N 1 1 292.379 1.917 40 0 CDABMO Cc1noc(C)c1C[N@H+]1C[C@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC000096185025 358714201 /nfs/dbraw/zinc/71/42/01/358714201.db2.gz PWTHKHWMHPTMPH-XHSDSOJGSA-N 1 1 292.379 1.917 40 0 CDABMO c1cnn(Cc2cn3c(n2)C[N@H+](C2CCOCC2)CC3)c1 ZINC000096197355 358716419 /nfs/dbraw/zinc/71/64/19/358716419.db2.gz NMFDWJALXIEPRQ-UHFFFAOYSA-N 1 1 287.367 1.123 40 0 CDABMO c1cnn(Cc2cn3c(n2)C[N@@H+](C2CCOCC2)CC3)c1 ZINC000096197355 358716422 /nfs/dbraw/zinc/71/64/22/358716422.db2.gz NMFDWJALXIEPRQ-UHFFFAOYSA-N 1 1 287.367 1.123 40 0 CDABMO CC(=O)N1CCC[C@]2(CC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC000096268724 358730991 /nfs/dbraw/zinc/73/09/91/358730991.db2.gz OBSBYWZZUYLNOL-LSDHHAIUSA-N 1 1 266.385 1.357 40 0 CDABMO CCc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000224490042 359511642 /nfs/dbraw/zinc/51/16/42/359511642.db2.gz WJBHYBPRYTUHQW-UHFFFAOYSA-N 1 1 260.381 1.956 40 0 CDABMO CCOc1cccc(/C=C/C(=O)N2CC[NH+](C)CC2)c1 ZINC000059843370 359821786 /nfs/dbraw/zinc/82/17/86/359821786.db2.gz DGACQSDSAYEHNZ-BQYQJAHWSA-N 1 1 274.364 1.873 40 0 CDABMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)c1cnn(C)c1)C2 ZINC000329501531 202363312 /nfs/dbraw/zinc/36/33/12/202363312.db2.gz HQIYHBIIPLURFW-LLVKDONJSA-N 1 1 273.340 1.150 40 0 CDABMO C[NH+](C)[C@]1([C@H](CN)CO)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000225467447 374466475 /nfs/dbraw/zinc/46/64/75/374466475.db2.gz SYVBJXKIQQWHLO-NEBZKDRISA-N 1 1 254.418 1.700 40 0 CDABMO O[C@@H]1C[N@H+](Cc2ccncc2)C[C@H]1Oc1cccc(F)c1 ZINC000257286796 190026840 /nfs/dbraw/zinc/02/68/40/190026840.db2.gz PNBLSSWRACDTKF-HZPDHXFCSA-N 1 1 288.322 1.845 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H]1Oc1cccc(F)c1 ZINC000257286796 190026841 /nfs/dbraw/zinc/02/68/41/190026841.db2.gz PNBLSSWRACDTKF-HZPDHXFCSA-N 1 1 288.322 1.845 40 0 CDABMO CN1CC[NH2+][C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000257287688 190027284 /nfs/dbraw/zinc/02/72/84/190027284.db2.gz PRCIAJKNHLSSOJ-INIZCTEOSA-N 1 1 281.359 1.721 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ncccc2C)C[C@@]12CCCO2 ZINC000257273725 190024747 /nfs/dbraw/zinc/02/47/47/190024747.db2.gz NHXKMJVADYTOJL-GJZGRUSLSA-N 1 1 262.353 1.770 40 0 CDABMO Nc1nccnc1C[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000257332310 190035901 /nfs/dbraw/zinc/03/59/01/190035901.db2.gz XWSGGSGCRIHLJE-LLVKDONJSA-N 1 1 289.408 1.970 40 0 CDABMO Nc1nccnc1C[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000257332310 190035902 /nfs/dbraw/zinc/03/59/02/190035902.db2.gz XWSGGSGCRIHLJE-LLVKDONJSA-N 1 1 289.408 1.970 40 0 CDABMO COC(=O)[C@@H]1C[C@@]2(c3ccccc3NC2=O)[N@H+]2CCC[C@H]12 ZINC000062716012 256723371 /nfs/dbraw/zinc/72/33/71/256723371.db2.gz GILNPVJKDQWNGY-ZXIHIIQKSA-N 1 1 286.331 1.491 40 0 CDABMO CN1CCN(c2ncccc2[C@H]2CCC[N@@H+]2C)CC1 ZINC000072216568 390621926 /nfs/dbraw/zinc/62/19/26/390621926.db2.gz ZCJMLWJMUMLCHN-CQSZACIVSA-N 1 1 260.385 1.600 40 0 CDABMO CN1CCN(c2ncccc2[C@H]2CCC[N@H+]2C)CC1 ZINC000072216568 390621929 /nfs/dbraw/zinc/62/19/29/390621929.db2.gz ZCJMLWJMUMLCHN-CQSZACIVSA-N 1 1 260.385 1.600 40 0 CDABMO CC[C@@H]([NH3+])c1cnc(N2CCN(CC)CC2)c(C)c1 ZINC000072222594 390622968 /nfs/dbraw/zinc/62/29/68/390622968.db2.gz ZODSKVUQJDKGOC-CQSZACIVSA-N 1 1 262.401 1.942 40 0 CDABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 ZINC000072227551 390625847 /nfs/dbraw/zinc/62/58/47/390625847.db2.gz LIWOJILYQSYCQK-GJZGRUSLSA-N 1 1 282.299 1.831 40 0 CDABMO COC(=O)[C@]1([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000088286134 291982345 /nfs/dbraw/zinc/98/23/45/291982345.db2.gz FLVZRFHXSAWGGZ-KOLCDFICSA-N 1 1 270.126 1.807 40 0 CDABMO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000015442743 392103906 /nfs/dbraw/zinc/10/39/06/392103906.db2.gz NNTWYHBONWWIBT-UHFFFAOYSA-N 1 1 295.191 1.587 40 0 CDABMO CC(C)CC[N@H+]1C[C@@H]2[C@H](C1)N(C)C(=O)c1cccn12 ZINC000306123447 392106416 /nfs/dbraw/zinc/10/64/16/392106416.db2.gz ANEFRZGDMJIKNJ-UONOGXRCSA-N 1 1 261.369 1.845 40 0 CDABMO O=C(OCc1ccccc1)N1CCC[N@H+](CCO)CC1 ZINC000070913610 176011065 /nfs/dbraw/zinc/01/10/65/176011065.db2.gz UJCGKHMDNMZMAF-UHFFFAOYSA-N 1 1 278.352 1.323 40 0 CDABMO Cc1ccccc1-c1cc(C(=O)N2CCC([NH3+])CC2)n[nH]1 ZINC000072221290 176343312 /nfs/dbraw/zinc/34/33/12/176343312.db2.gz RTGGRQQWFBZYOC-UHFFFAOYSA-N 1 1 284.363 1.948 40 0 CDABMO O=C1NCC[NH2+][C@@H]1Cc1ccccc1-c1ccccc1 ZINC000072352855 176374470 /nfs/dbraw/zinc/37/44/70/176374470.db2.gz HEIXYSCWEXVBFJ-MRXNPFEDSA-N 1 1 266.344 1.984 40 0 CDABMO NC(=O)C[NH+]1CCC(c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000072363765 176378470 /nfs/dbraw/zinc/37/84/70/176378470.db2.gz POQWYJOQJNESKK-UHFFFAOYSA-N 1 1 276.262 1.093 40 0 CDABMO Cc1cc(C(=O)NCC(C)C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072369338 176384207 /nfs/dbraw/zinc/38/42/07/176384207.db2.gz HVPONFVGTHVKAU-CYBMUJFWSA-N 1 1 290.411 1.980 40 0 CDABMO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072369723 176384382 /nfs/dbraw/zinc/38/43/82/176384382.db2.gz DJBQCHLLMLJBCP-CQSZACIVSA-N 1 1 271.368 1.816 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1CCCc1ccccc1 ZINC000072397587 176395174 /nfs/dbraw/zinc/39/51/74/176395174.db2.gz FRDMDTTUQBHAQV-BHYGNILZSA-N 1 1 274.408 1.759 40 0 CDABMO C[C@H]1CN2C[C@H](O)C[C@H]2C[N@@H+]1CCCc1ccccc1 ZINC000072397587 176395175 /nfs/dbraw/zinc/39/51/75/176395175.db2.gz FRDMDTTUQBHAQV-BHYGNILZSA-N 1 1 274.408 1.759 40 0 CDABMO C[C@H]1CN2C[C@H](O)C[C@H]2C[N@H+]1CCCc1ccccc1 ZINC000072397587 176395176 /nfs/dbraw/zinc/39/51/76/176395176.db2.gz FRDMDTTUQBHAQV-BHYGNILZSA-N 1 1 274.408 1.759 40 0 CDABMO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000076708887 177067341 /nfs/dbraw/zinc/06/73/41/177067341.db2.gz GFTZAYYUWMMUST-HIFRSBDPSA-N 1 1 295.427 1.378 40 0 CDABMO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000076708887 177067342 /nfs/dbraw/zinc/06/73/42/177067342.db2.gz GFTZAYYUWMMUST-HIFRSBDPSA-N 1 1 295.427 1.378 40 0 CDABMO CC[N@H+]1CCOC[C@]2(CCCN(C(=O)N3CCCC3)C2)C1 ZINC000096049621 279382661 /nfs/dbraw/zinc/38/26/61/279382661.db2.gz WSAZDTAKHVDRCR-MRXNPFEDSA-N 1 1 295.427 1.637 40 0 CDABMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cn(C)nn1 ZINC000235556970 525790563 /nfs/dbraw/zinc/79/05/63/525790563.db2.gz BROGULXAPOOAFX-AAEUAGOBSA-N 1 1 252.362 1.331 40 0 CDABMO C[N@@H+]1CCN(c2nc3cccc(F)c3o2)C[C@H]1CO ZINC000894880808 619116843 /nfs/dbraw/zinc/11/68/43/619116843.db2.gz GISMHADTNIVNCU-VIFPVBQESA-N 1 1 265.288 1.080 40 0 CDABMO C[N@H+]1CCN(c2nc3cccc(F)c3o2)C[C@H]1CO ZINC000894880808 619116845 /nfs/dbraw/zinc/11/68/45/619116845.db2.gz GISMHADTNIVNCU-VIFPVBQESA-N 1 1 265.288 1.080 40 0 CDABMO C[C@@H]1CC[N@@H+](C)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC000214489686 1175811744 /nfs/dbraw/zinc/81/17/44/1175811744.db2.gz UCFDYZNTNVHTGH-PWSUYJOCSA-N 1 1 259.357 1.734 40 0 CDABMO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(F)cncc1F ZINC000929519114 933244655 /nfs/dbraw/zinc/24/46/55/933244655.db2.gz XNDIVENRMJQIOP-VIFPVBQESA-N 1 1 269.295 1.590 40 0 CDABMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(F)cncc1F ZINC000929519114 933244658 /nfs/dbraw/zinc/24/46/58/933244658.db2.gz XNDIVENRMJQIOP-VIFPVBQESA-N 1 1 269.295 1.590 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccncc3)C[C@@H]2O1 ZINC000097953604 230388660 /nfs/dbraw/zinc/38/86/60/230388660.db2.gz BEDORPOVLGEILD-KKUMJFAQSA-N 1 1 289.379 1.149 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccncc3)C[C@@H]2O1 ZINC000097953604 230388661 /nfs/dbraw/zinc/38/86/61/230388661.db2.gz BEDORPOVLGEILD-KKUMJFAQSA-N 1 1 289.379 1.149 40 0 CDABMO CCOc1ccc([C@H]([NH3+])c2nnc(CC)[nH]2)cc1OC ZINC000095534301 185006600 /nfs/dbraw/zinc/00/66/00/185006600.db2.gz MBMBNFPCVFFJCN-ZDUSSCGKSA-N 1 1 276.340 1.823 40 0 CDABMO CCO[C@@H]1C[C@H]2CN(C(=O)c3cscn3)CC[N@H+]2C1 ZINC000096063741 185084378 /nfs/dbraw/zinc/08/43/78/185084378.db2.gz AQGOYKZYLWICOO-WDEREUQCSA-N 1 1 281.381 1.078 40 0 CDABMO COCC[N@H+]1CC[C@]12CCN(C(=O)c1cccc(F)c1)C2 ZINC000096075966 185089484 /nfs/dbraw/zinc/08/94/84/185089484.db2.gz KOWAMVOFWIMZLT-INIZCTEOSA-N 1 1 292.354 1.763 40 0 CDABMO Cn1ccnc1CN1CC[C@]2(CC[N@H+]2CC2CC2)C1 ZINC000096075979 185089597 /nfs/dbraw/zinc/08/95/97/185089597.db2.gz FEUCKHMQSMPEEL-HNNXBMFYSA-N 1 1 260.385 1.480 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccsc1)CC[C@H]2OC ZINC000096108517 185099677 /nfs/dbraw/zinc/09/96/77/185099677.db2.gz OREWWAGSTKVMET-BFHYXJOUSA-N 1 1 294.420 1.929 40 0 CDABMO C[C@@H]1c2ncc(COCC(=O)N3CCCC3)n2CC[N@@H+]1C ZINC000096109814 185100331 /nfs/dbraw/zinc/10/03/31/185100331.db2.gz OWKBJCIEDUOZQE-GFCCVEGCSA-N 1 1 292.383 1.029 40 0 CDABMO Cc1noc(CC(=O)N2CC[C@H]3[C@H]2CC[N@H+]3CC2CC2)n1 ZINC000585108119 342213292 /nfs/dbraw/zinc/21/32/92/342213292.db2.gz PRGGVGCKHFCFRE-QWHCGFSZSA-N 1 1 290.367 1.006 40 0 CDABMO C[C@@H](c1ccccc1)[N@H+]1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC000585103282 342212777 /nfs/dbraw/zinc/21/27/77/342212777.db2.gz ARAHLTJTEMZTKF-YOEHRIQHSA-N 1 1 288.391 1.928 40 0 CDABMO CN(CC1(C)COC1)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000019655600 282230735 /nfs/dbraw/zinc/23/07/35/282230735.db2.gz OCLQEMIPRPJHSZ-AWEZNQCLSA-N 1 1 294.370 1.923 40 0 CDABMO CC(C)[NH+]1CC2(C1)C[C@H](Oc1ncccn1)CCO2 ZINC000248178362 362157068 /nfs/dbraw/zinc/15/70/68/362157068.db2.gz WXYXYRYSAGBTTB-GFCCVEGCSA-N 1 1 263.341 1.497 40 0 CDABMO CC(C)c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccn1)CC2 ZINC000019453779 356485786 /nfs/dbraw/zinc/48/57/86/356485786.db2.gz UMHZWBNMXWMYTL-UHFFFAOYSA-N 1 1 298.390 1.889 40 0 CDABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1O ZINC000019842577 356509986 /nfs/dbraw/zinc/50/99/86/356509986.db2.gz CKVGEVXQCDQVQH-UHFFFAOYSA-N 1 1 266.366 1.324 40 0 CDABMO C[N@H+](CCO)C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393500 356990140 /nfs/dbraw/zinc/99/01/40/356990140.db2.gz QHAPGQLMSXWGBI-INIZCTEOSA-N 1 1 262.397 1.823 40 0 CDABMO C[N@@H+](CCO)C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393500 356990141 /nfs/dbraw/zinc/99/01/41/356990141.db2.gz QHAPGQLMSXWGBI-INIZCTEOSA-N 1 1 262.397 1.823 40 0 CDABMO CN(CCO)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393500 356990142 /nfs/dbraw/zinc/99/01/42/356990142.db2.gz QHAPGQLMSXWGBI-INIZCTEOSA-N 1 1 262.397 1.823 40 0 CDABMO CN(CCO)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393500 356990143 /nfs/dbraw/zinc/99/01/43/356990143.db2.gz QHAPGQLMSXWGBI-INIZCTEOSA-N 1 1 262.397 1.823 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3C)C2)cn1 ZINC000096049956 358707105 /nfs/dbraw/zinc/70/71/05/358707105.db2.gz JDBFWLALNHPJDF-HNNXBMFYSA-N 1 1 276.384 1.397 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]1O2 ZINC000096252740 358727519 /nfs/dbraw/zinc/72/75/19/358727519.db2.gz FHJFPLGABRWUAV-QLFBSQMISA-N 1 1 274.364 1.330 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]1O2 ZINC000096252740 358727523 /nfs/dbraw/zinc/72/75/23/358727523.db2.gz FHJFPLGABRWUAV-QLFBSQMISA-N 1 1 274.364 1.330 40 0 CDABMO O=C1C[C@@H]([NH+]2CCCC2)C(=O)N1c1ccc(F)c(F)c1 ZINC000104346314 358956319 /nfs/dbraw/zinc/95/63/19/358956319.db2.gz JJIDRBLOPAZADR-GFCCVEGCSA-N 1 1 280.274 1.693 40 0 CDABMO COC[C@H](O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831534 366890622 /nfs/dbraw/zinc/89/06/22/366890622.db2.gz ZUSQIOWQKLATDN-KGLIPLIRSA-N 1 1 257.374 1.417 40 0 CDABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218442639 370334181 /nfs/dbraw/zinc/33/41/81/370334181.db2.gz SKVAXYJGDQKULE-IHRRRGAJSA-N 1 1 283.393 1.239 40 0 CDABMO CCOC[C@]1([NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218567482 373023705 /nfs/dbraw/zinc/02/37/05/373023705.db2.gz MZRPQOXAXMZYCU-AVGNSLFASA-N 1 1 287.356 1.070 40 0 CDABMO COC(=O)[C@H]1C[C@@]2(c3ccccc3NC2=O)[N@H+]2CCC[C@@H]12 ZINC000216298024 375394394 /nfs/dbraw/zinc/39/43/94/375394394.db2.gz GILNPVJKDQWNGY-NKFCBESUSA-N 1 1 286.331 1.491 40 0 CDABMO Cc1nc[nH]c1C[N@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257212133 190013015 /nfs/dbraw/zinc/01/30/15/190013015.db2.gz CCBGQLCHFJXARZ-UHFFFAOYSA-N 1 1 298.394 1.975 40 0 CDABMO C[N@H+]1CCN(Cc2cncnc2)C[C@H]1c1ccccc1 ZINC000257225245 190015511 /nfs/dbraw/zinc/01/55/11/190015511.db2.gz FFKUEMUSGXJIJM-INIZCTEOSA-N 1 1 268.364 1.965 40 0 CDABMO Cc1cc(N)cc([C@@H]2CN(Cc3cc[nH]n3)CCO2)[nH+]1 ZINC000257228863 190016368 /nfs/dbraw/zinc/01/63/68/190016368.db2.gz FVOUBNPSNPNNCG-AWEZNQCLSA-N 1 1 273.340 1.269 40 0 CDABMO Cc1cc(C[C@H]2CCC[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]32)ncn1 ZINC000257221485 190014724 /nfs/dbraw/zinc/01/47/24/190014724.db2.gz DPFJAJLLERVHTM-UMVBOHGHSA-N 1 1 288.395 1.161 40 0 CDABMO C[N@H+]1CCCN(C(=O)c2ccnc(-c3cncnc3)c2)CC1 ZINC000257345073 190037900 /nfs/dbraw/zinc/03/79/00/190037900.db2.gz ZZVZKHIKFXDSSS-UHFFFAOYSA-N 1 1 297.362 1.316 40 0 CDABMO O=S(=O)(c1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173526956 378532221 /nfs/dbraw/zinc/53/22/21/378532221.db2.gz PXBAJCKECIGPDK-ZDUSSCGKSA-N 1 1 278.377 1.321 40 0 CDABMO CC(C)[N@H+]1CCC[C@H]1c1cncc(N2CCOC2=O)n1 ZINC000257301943 391649532 /nfs/dbraw/zinc/64/95/32/391649532.db2.gz SARKJDZUQGKMOO-LBPRGKRZSA-N 1 1 276.340 1.979 40 0 CDABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)CC ZINC000242614864 391943692 /nfs/dbraw/zinc/94/36/92/391943692.db2.gz PKVABHMPCAGJPH-ZNMIVQPWSA-N 1 1 297.420 1.630 40 0 CDABMO COC(=O)[C@@H]1C[C@]2(c3ccccc3NC2=O)[N@H+]2CCC[C@H]12 ZINC000062716016 392802573 /nfs/dbraw/zinc/80/25/73/392802573.db2.gz GILNPVJKDQWNGY-CKUKBARFSA-N 1 1 286.331 1.491 40 0 CDABMO CC[N@H+]1CCC[C@@](O)(CN(C)Cc2c(C)nn(C)c2C)C1 ZINC000046087876 175392484 /nfs/dbraw/zinc/39/24/84/175392484.db2.gz BJBNWJZNRGVTBX-MRXNPFEDSA-N 1 1 294.443 1.316 40 0 CDABMO Cc1cc(CCC(=O)N(C)C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072366410 176381406 /nfs/dbraw/zinc/38/14/06/176381406.db2.gz BJOUBLLRPHBSPO-ZDUSSCGKSA-N 1 1 290.411 1.615 40 0 CDABMO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ncc[nH]1 ZINC000067122814 276756296 /nfs/dbraw/zinc/75/62/96/276756296.db2.gz GRBQNGUKQJVSSA-CYBMUJFWSA-N 1 1 272.352 1.199 40 0 CDABMO C[C@@H]1OC(=O)[C@@H]2[C@@H]1[N@H+]1CCc3ccccc3[C@@H]1C[C@@H]2O ZINC000020111857 279038851 /nfs/dbraw/zinc/03/88/51/279038851.db2.gz MPEJFJFZVUSBET-XOKYVNOHSA-N 1 1 273.332 1.281 40 0 CDABMO COc1ccc([C@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000095533644 185007241 /nfs/dbraw/zinc/00/72/41/185007241.db2.gz WOCFFQJLLDZEST-ZDUSSCGKSA-N 1 1 281.319 1.923 40 0 CDABMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000096038759 185069310 /nfs/dbraw/zinc/06/93/10/185069310.db2.gz IHTKBXJQUPBJLU-UKRRQHHQSA-N 1 1 293.367 1.018 40 0 CDABMO O=C1[C@H]2C[N@@H+](CC3CC3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054641 185076691 /nfs/dbraw/zinc/07/66/91/185076691.db2.gz WBGIIWURUROGJN-HOTGVXAUSA-N 1 1 285.391 1.772 40 0 CDABMO Cn1cc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)cn1 ZINC000096110641 185100441 /nfs/dbraw/zinc/10/04/41/185100441.db2.gz VYDAPYFRJOMATF-HOTGVXAUSA-N 1 1 297.406 1.379 40 0 CDABMO CC(C)N1C[C@]2(CCC[N@@H+](C[C@H]3CCCO3)C2)C1=O ZINC000585099569 342212260 /nfs/dbraw/zinc/21/22/60/342212260.db2.gz QMPQJYRSQSHVIS-UKRRQHHQSA-N 1 1 266.385 1.498 40 0 CDABMO CN(C)C(=O)C[C@H]1C[N@H+](C2CCCCCC2)C[C@@H]1O ZINC000585277785 342256324 /nfs/dbraw/zinc/25/63/24/342256324.db2.gz XWIHFYHWVOLWOU-JSGCOSHPSA-N 1 1 268.401 1.480 40 0 CDABMO Cc1ccccc1O[C@@H]1CCC[C@H]([NH+]2CCOCC2)[C@H]1O ZINC000585288463 342258926 /nfs/dbraw/zinc/25/89/26/342258926.db2.gz AYYPZGFWRMCYDS-USXIJHARSA-N 1 1 291.391 1.988 40 0 CDABMO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@@H+]1Cc1nccs1 ZINC000585293184 342259224 /nfs/dbraw/zinc/25/92/24/342259224.db2.gz RTMIBQUEENAPOY-UMVBOHGHSA-N 1 1 290.388 1.464 40 0 CDABMO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@H+]1Cc1nccs1 ZINC000585293184 342259225 /nfs/dbraw/zinc/25/92/25/342259225.db2.gz RTMIBQUEENAPOY-UMVBOHGHSA-N 1 1 290.388 1.464 40 0 CDABMO CO[C@H]1CSC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000247838087 362133375 /nfs/dbraw/zinc/13/33/75/362133375.db2.gz JUOCJKTWVXJCRC-GFCCVEGCSA-N 1 1 250.367 1.788 40 0 CDABMO Cc1cccc(N2CCC[C@H](NC(=O)c3cnccn3)C2)[nH+]1 ZINC000257212521 362577936 /nfs/dbraw/zinc/57/79/36/362577936.db2.gz CDUYCXLPTASCEA-ZDUSSCGKSA-N 1 1 297.362 1.579 40 0 CDABMO CNC(=O)[C@@H]1CN(C)CC[N@H+](C2CCCCCC2)C1 ZINC000257236921 362578893 /nfs/dbraw/zinc/57/88/93/362578893.db2.gz HEINARJCCRQZOK-CYBMUJFWSA-N 1 1 267.417 1.319 40 0 CDABMO c1cncc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000108222862 186208344 /nfs/dbraw/zinc/20/83/44/186208344.db2.gz ZMTYQXUKEAIMMR-SJORKVTESA-N 1 1 287.407 1.767 40 0 CDABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCNC3=O)CC2)n1 ZINC000108531410 186222053 /nfs/dbraw/zinc/22/20/53/186222053.db2.gz JEUQMNCTLLRTCY-MRXNPFEDSA-N 1 1 289.379 1.582 40 0 CDABMO OC1(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CCOCC1 ZINC000152979527 188056534 /nfs/dbraw/zinc/05/65/34/188056534.db2.gz XUWPBLUFMCAKAX-GFCCVEGCSA-N 1 1 265.357 1.131 40 0 CDABMO OC1(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)CCOCC1 ZINC000152979527 188056535 /nfs/dbraw/zinc/05/65/35/188056535.db2.gz XUWPBLUFMCAKAX-GFCCVEGCSA-N 1 1 265.357 1.131 40 0 CDABMO OC1(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)CCOCC1 ZINC000152979527 188056537 /nfs/dbraw/zinc/05/65/37/188056537.db2.gz XUWPBLUFMCAKAX-GFCCVEGCSA-N 1 1 265.357 1.131 40 0 CDABMO c1cnc2c(n[nH]c2[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000019404283 356483839 /nfs/dbraw/zinc/48/38/39/356483839.db2.gz OCHYDNASPCMYAS-NSHDSACASA-N 1 1 257.341 1.942 40 0 CDABMO CN(CCO)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079393498 356989804 /nfs/dbraw/zinc/98/98/04/356989804.db2.gz RYMBPHJMERKSMS-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO C[N@H+](CCO)C[C@H]1CCCCN1Cc1ccccc1 ZINC000079393498 356989807 /nfs/dbraw/zinc/98/98/07/356989807.db2.gz RYMBPHJMERKSMS-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO C[N@@H+](CCO)C[C@H]1CCCCN1Cc1ccccc1 ZINC000079393498 356989813 /nfs/dbraw/zinc/98/98/13/356989813.db2.gz RYMBPHJMERKSMS-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000131078477 358080192 /nfs/dbraw/zinc/08/01/92/358080192.db2.gz HWDNLMDTPAGSJG-KGLIPLIRSA-N 1 1 299.378 1.401 40 0 CDABMO CCc1ccc(C(=O)N2CC3(C2)C[C@H](CO)C[N@H+]3C)cc1 ZINC000585093826 358099050 /nfs/dbraw/zinc/09/90/50/358099050.db2.gz IASUVTCCRLIPSD-AWEZNQCLSA-N 1 1 288.391 1.388 40 0 CDABMO c1cncc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@H]3C2)c1 ZINC000096183278 358713322 /nfs/dbraw/zinc/71/33/22/358713322.db2.gz ZMTYQXUKEAIMMR-DLBZAZTESA-N 1 1 287.407 1.767 40 0 CDABMO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C2CCOCC2)cn1 ZINC000096184633 358713624 /nfs/dbraw/zinc/71/36/24/358713624.db2.gz UNIJFXUVTIEHMT-JKSUJKDBSA-N 1 1 290.411 1.248 40 0 CDABMO C[N@H+]1CC[C@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096201937 358719572 /nfs/dbraw/zinc/71/95/72/358719572.db2.gz NSFNFCONZOBXSR-CQSZACIVSA-N 1 1 280.393 1.542 40 0 CDABMO O=C(C[C@@H]1C[C@H]2C[N@H+](C3CCC3)C[C@H]2O1)N1CCCCO1 ZINC000096209942 358721089 /nfs/dbraw/zinc/72/10/89/358721089.db2.gz YZKQHQMBHNLXAO-AEGPPILISA-N 1 1 294.395 1.572 40 0 CDABMO CN(C)c1ncc2c(n1)[C@]1(CC[N@@H+](CC3CC3)C1)COC2 ZINC000096244021 358724900 /nfs/dbraw/zinc/72/49/00/358724900.db2.gz FJBXXAKOQRGVSI-INIZCTEOSA-N 1 1 288.395 1.426 40 0 CDABMO Cn1cc(N2CC[C@H]3C[N@@H+](CC4CC4)C[C@@H]3C2=O)cn1 ZINC000096249147 358726239 /nfs/dbraw/zinc/72/62/39/358726239.db2.gz HVSBAXWWJADGDR-JSGCOSHPSA-N 1 1 274.368 1.115 40 0 CDABMO CNC(=O)c1cc2c(nc1NC(C)C)CC[N@@H+](C)CC2 ZINC000096260418 358729688 /nfs/dbraw/zinc/72/96/88/358729688.db2.gz CJWVEVTZWZAQSD-UHFFFAOYSA-N 1 1 276.384 1.292 40 0 CDABMO Cc1cc(CN2CCC[C@@]3(C2)C[N@H+](C)CCO3)no1 ZINC000096268630 358730476 /nfs/dbraw/zinc/73/04/76/358730476.db2.gz JVNYLEHXDDANIL-AWEZNQCLSA-N 1 1 265.357 1.280 40 0 CDABMO Cc1cc(CN2CCC[C@@]3(C2)C[N@@H+](C)CCO3)no1 ZINC000096268630 358730482 /nfs/dbraw/zinc/73/04/82/358730482.db2.gz JVNYLEHXDDANIL-AWEZNQCLSA-N 1 1 265.357 1.280 40 0 CDABMO CC[C@H](c1ccccc1)N1CC[NH+](CCC(=O)NC)CC1 ZINC000075862766 366906372 /nfs/dbraw/zinc/90/63/72/366906372.db2.gz JHNFSKAJUBXRCW-MRXNPFEDSA-N 1 1 289.423 1.891 40 0 CDABMO C[N@H+]1C[C@@H]2CN(Cc3cccnc3)CCN2C(C)(C)C1 ZINC000253406870 373701599 /nfs/dbraw/zinc/70/15/99/373701599.db2.gz VDYHCAULARRUQP-OAHLLOKOSA-N 1 1 274.412 1.292 40 0 biogenic,in-vitro CDABMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccnc2)CC1 ZINC000080780296 374987975 /nfs/dbraw/zinc/98/79/75/374987975.db2.gz IXRVJGZZOIGTKZ-ZDUSSCGKSA-N 1 1 278.356 1.002 40 0 CDABMO CCCC(=O)N1CC2(C1)C[C@@H](COC)CC[N@H+]2C ZINC000306144360 374971953 /nfs/dbraw/zinc/97/19/53/374971953.db2.gz ZDIZNCZAHFFXRN-LBPRGKRZSA-N 1 1 254.374 1.356 40 0 CDABMO CC(C)COCC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000225722133 375191889 /nfs/dbraw/zinc/19/18/89/375191889.db2.gz MJDLPRBDNUHYGN-KBPBESRZSA-N 1 1 268.401 1.650 40 0 CDABMO Cn1nc(C(F)(F)F)cc1CNCC[NH+](C)C ZINC000256052486 190004302 /nfs/dbraw/zinc/00/43/02/190004302.db2.gz NMVRWYUVRSRTTO-UHFFFAOYSA-N 1 1 250.268 1.090 40 0 CDABMO Cc1cc(N)cc([C@H]2CN(Cc3cnccn3)CCO2)[nH+]1 ZINC000257226707 190015362 /nfs/dbraw/zinc/01/53/62/190015362.db2.gz FLUMCTUCQKLARE-OAHLLOKOSA-N 1 1 285.351 1.336 40 0 CDABMO Cc1cnc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)cn1 ZINC000257285493 190026778 /nfs/dbraw/zinc/02/67/78/190026778.db2.gz PHKBPKDPMYAGCZ-AWEZNQCLSA-N 1 1 263.341 1.337 40 0 CDABMO Cc1cnc([C@@H]2C[N@H+](C3CCOCC3)CCO2)cn1 ZINC000257285493 190026779 /nfs/dbraw/zinc/02/67/79/190026779.db2.gz PHKBPKDPMYAGCZ-AWEZNQCLSA-N 1 1 263.341 1.337 40 0 CDABMO C[N@H+]1CCCN(Cc2ccnc([C@]3(C)CCCO3)n2)CC1 ZINC000257319283 190033410 /nfs/dbraw/zinc/03/34/10/190033410.db2.gz VRSRGKHNLBSTAU-INIZCTEOSA-N 1 1 290.411 1.640 40 0 CDABMO C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC000063527722 378303738 /nfs/dbraw/zinc/30/37/38/378303738.db2.gz BHJJIGZTJIVBMD-LBPRGKRZSA-N 1 1 252.358 1.110 40 0 CDABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@H]1CCCN1C=O ZINC000072219613 390623043 /nfs/dbraw/zinc/62/30/43/390623043.db2.gz MOUKFYNMLLDMRK-CQSZACIVSA-N 1 1 275.352 1.520 40 0 CDABMO CC[C@H]([NH3+])c1ccc(N2CCN(CC)CC2)nc1C ZINC000072224680 390624810 /nfs/dbraw/zinc/62/48/10/390624810.db2.gz WHRNHJKEARPDLB-AWEZNQCLSA-N 1 1 262.401 1.942 40 0 CDABMO CO[C@H]1CCN(C(C)=O)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109471 390913036 /nfs/dbraw/zinc/91/30/36/390913036.db2.gz QDZFBVJCIVTETL-XHSDSOJGSA-N 1 1 289.379 1.149 40 0 CDABMO COc1ccc(OC)c(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000022251031 171382381 /nfs/dbraw/zinc/38/23/81/171382381.db2.gz QYBMXTBSMLKWTM-UHFFFAOYSA-N 1 1 278.352 1.020 40 0 CDABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCCC2)ncc1C(N)=O ZINC000072345417 176373105 /nfs/dbraw/zinc/37/31/05/176373105.db2.gz ASPPUUGKUOEKJX-ZDUSSCGKSA-N 1 1 274.368 1.963 40 0 CDABMO Cn1ccnc1C[NH+]1CCC(c2[nH]nc3nccnc32)CC1 ZINC000072351198 176374177 /nfs/dbraw/zinc/37/41/77/176374177.db2.gz VSZBBXYXMFVALA-UHFFFAOYSA-N 1 1 297.366 1.466 40 0 CDABMO COc1ccccc1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@H]1C ZINC000072397635 176395061 /nfs/dbraw/zinc/39/50/61/176395061.db2.gz MIZZOWWECZFPJS-VHDGCEQUSA-N 1 1 276.380 1.335 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(O)cccc1OC ZINC000005851787 260020519 /nfs/dbraw/zinc/02/05/19/260020519.db2.gz MVWKVVFFVMXULU-NSHDSACASA-N 1 1 278.352 1.615 40 0 in-vitro CDABMO C[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000083320858 260189394 /nfs/dbraw/zinc/18/93/94/260189394.db2.gz NDDYBWBWTKZYKF-ZDUSSCGKSA-N 1 1 275.396 1.457 40 0 CDABMO COC[C@H]1CCC2(CCN(c3ncc(F)cn3)CC2)[N@H+]1C ZINC000096207110 274052016 /nfs/dbraw/zinc/05/20/16/274052016.db2.gz FIIRYDROOCHAOU-CYBMUJFWSA-N 1 1 294.374 1.695 40 0 CDABMO c1coc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)c1 ZINC000096055847 275074587 /nfs/dbraw/zinc/07/45/87/275074587.db2.gz XUWWBVRTXGPNKP-KGLIPLIRSA-N 1 1 270.336 1.923 40 0 CDABMO CC(C)n1ccc2nc(N3CC[NH+](C)CC3)ncc2c1=O ZINC000009290355 276085563 /nfs/dbraw/zinc/08/55/63/276085563.db2.gz NRMNFVAIYSNVTC-UHFFFAOYSA-N 1 1 287.367 1.124 40 0 CDABMO COC[C@@H]1C[N@@H+](C)CC12CCN(c1nnc(C)s1)CC2 ZINC000248124865 277254155 /nfs/dbraw/zinc/25/41/55/277254155.db2.gz LILGVSNIBNKJER-LBPRGKRZSA-N 1 1 296.440 1.641 40 0 CDABMO CC(=O)N1C[C@@H]2C[N@H+](C3CCC3)CCN2C(C)(C)C1 ZINC000253408885 278071511 /nfs/dbraw/zinc/07/15/11/278071511.db2.gz YWDHRRFVSNRQHY-AWEZNQCLSA-N 1 1 265.401 1.166 40 0 biogenic,in-vitro CDABMO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000072356700 295169828 /nfs/dbraw/zinc/16/98/28/295169828.db2.gz SPGKSVPHFFSEKF-LBPRGKRZSA-N 1 1 262.357 1.978 40 0 CDABMO NC(=O)c1cn[nH]c1[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000072356700 295169829 /nfs/dbraw/zinc/16/98/29/295169829.db2.gz SPGKSVPHFFSEKF-LBPRGKRZSA-N 1 1 262.357 1.978 40 0 CDABMO NC(=O)c1cn[nH]c1[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000072356700 295169830 /nfs/dbraw/zinc/16/98/30/295169830.db2.gz SPGKSVPHFFSEKF-LBPRGKRZSA-N 1 1 262.357 1.978 40 0 CDABMO Cn1cnc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)n1 ZINC000291525760 534804304 /nfs/dbraw/zinc/80/43/04/534804304.db2.gz PKGOITWVHHTKQG-CYBMUJFWSA-N 1 1 297.362 1.440 40 0 CDABMO COCCNC(=O)[C@@H]1C[N@@H+](C)[C@H]2c3ccccc3OC[C@H]21 ZINC001772596022 1159319602 /nfs/dbraw/zinc/31/96/02/1159319602.db2.gz ZFAPDBWLLCBCNL-IPYPFGDCSA-N 1 1 290.363 1.061 40 0 CDABMO COc1ccc([C@H]([NH3+])c2nnc(C(C)C)[nH]2)cc1OC ZINC000095533795 185005630 /nfs/dbraw/zinc/00/56/30/185005630.db2.gz DUBBPRAGONAVOF-LBPRGKRZSA-N 1 1 276.340 1.993 40 0 CDABMO CS(=O)(=O)N1CCCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096049343 185072337 /nfs/dbraw/zinc/07/23/37/185072337.db2.gz SBFGLNKOHJZTCR-UHFFFAOYSA-N 1 1 298.408 1.670 40 0 CDABMO c1ncc(O[C@@H]2C[C@@H]3C[N@@H+](CC4CC4)CCN3C2)cn1 ZINC000096055015 185075421 /nfs/dbraw/zinc/07/54/21/185075421.db2.gz GIZHOTULGCNHQK-ZIAGYGMSSA-N 1 1 274.368 1.024 40 0 CDABMO c1ncc(O[C@@H]2C[C@@H]3CN(CC4CC4)CC[N@@H+]3C2)cn1 ZINC000096055015 185075422 /nfs/dbraw/zinc/07/54/22/185075422.db2.gz GIZHOTULGCNHQK-ZIAGYGMSSA-N 1 1 274.368 1.024 40 0 CDABMO c1ncc(O[C@@H]2C[C@@H]3CN(CC4CC4)CC[N@H+]3C2)cn1 ZINC000096055015 185075423 /nfs/dbraw/zinc/07/54/23/185075423.db2.gz GIZHOTULGCNHQK-ZIAGYGMSSA-N 1 1 274.368 1.024 40 0 CDABMO c1ccc(CO[C@H]2C[C@H]3C[N@@H+](CC4CC4)CCN3C2)nc1 ZINC000096055127 185076032 /nfs/dbraw/zinc/07/60/32/185076032.db2.gz XFZIQEZBAUMNGZ-IRXDYDNUSA-N 1 1 287.407 1.767 40 0 CDABMO c1ccc(CO[C@H]2C[C@H]3CN(CC4CC4)CC[N@@H+]3C2)nc1 ZINC000096055127 185076033 /nfs/dbraw/zinc/07/60/33/185076033.db2.gz XFZIQEZBAUMNGZ-IRXDYDNUSA-N 1 1 287.407 1.767 40 0 CDABMO c1ccc(CO[C@H]2C[C@H]3CN(CC4CC4)CC[N@H+]3C2)nc1 ZINC000096055127 185076034 /nfs/dbraw/zinc/07/60/34/185076034.db2.gz XFZIQEZBAUMNGZ-IRXDYDNUSA-N 1 1 287.407 1.767 40 0 CDABMO CS(=O)(=O)N1C[C@H]2CCC[N@H+](Cc3ccco3)[C@H]2C1 ZINC000096054174 185076543 /nfs/dbraw/zinc/07/65/43/185076543.db2.gz QULKDCXTUAPNPC-YPMHNXCESA-N 1 1 284.381 1.135 40 0 CDABMO CS(=O)(=O)N1C[C@H]2CCC[N@@H+](Cc3ccco3)[C@H]2C1 ZINC000096054174 185076545 /nfs/dbraw/zinc/07/65/45/185076545.db2.gz QULKDCXTUAPNPC-YPMHNXCESA-N 1 1 284.381 1.135 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C[C@H]2O1 ZINC000096058219 185079524 /nfs/dbraw/zinc/07/95/24/185079524.db2.gz IPTPZPVUWFYFJO-IACUBPJLSA-N 1 1 294.420 1.782 40 0 CDABMO CCOC[C@@H]1C[N@H+](Cc2ccncc2)Cc2cn(C)nc21 ZINC000096059846 185080635 /nfs/dbraw/zinc/08/06/35/185080635.db2.gz SMAKHHAHBAEAPI-HNNXBMFYSA-N 1 1 286.379 1.951 40 0 CDABMO CCOC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2cn(C)nc21 ZINC000096059846 185080637 /nfs/dbraw/zinc/08/06/37/185080637.db2.gz SMAKHHAHBAEAPI-HNNXBMFYSA-N 1 1 286.379 1.951 40 0 CDABMO O=C(c1cccnc1)N1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC000096063674 185084279 /nfs/dbraw/zinc/08/42/79/185084279.db2.gz IYLNMLVHQNMBJL-IYBDPMFKSA-N 1 1 285.391 1.886 40 0 CDABMO Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2ccccn2)C3)n1 ZINC000096110037 185099330 /nfs/dbraw/zinc/09/93/30/185099330.db2.gz MUZNUDBCJDKMNO-IUODEOHRSA-N 1 1 286.335 1.173 40 0 CDABMO c1cncc(OC[C@]23COC[C@H]2C[N@H+](C2CCC2)C3)c1 ZINC000096108852 185099873 /nfs/dbraw/zinc/09/98/73/185099873.db2.gz HGAZKVJOELJIOD-CJNGLKHVSA-N 1 1 274.364 1.961 40 0 CDABMO CNC(=O)C(C)(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCCC1 ZINC000096113064 185100638 /nfs/dbraw/zinc/10/06/38/185100638.db2.gz PCBAEXLPJOEFMZ-LBPRGKRZSA-N 1 1 281.400 1.034 40 0 biogenic,in-vitro CDABMO CNC(=O)C(C)(C)[N@H+]1CCC[C@H]1C(=O)NC1CCCC1 ZINC000096113064 185100639 /nfs/dbraw/zinc/10/06/39/185100639.db2.gz PCBAEXLPJOEFMZ-LBPRGKRZSA-N 1 1 281.400 1.034 40 0 biogenic,in-vitro CDABMO Cc1cccc(C[C@H]2CC[N@@H+](CCC(N)=O)C[C@@H]2O)c1 ZINC000585277689 342256488 /nfs/dbraw/zinc/25/64/88/342256488.db2.gz KKVXIGLSMFNQEO-CABCVRRESA-N 1 1 276.380 1.096 40 0 CDABMO CC(=O)Nc1ccc(OC[C@@H](O)Cn2cc[nH+]c2C)cc1 ZINC000000818230 362369398 /nfs/dbraw/zinc/36/93/98/362369398.db2.gz IYRUSHZUCPTBMQ-AWEZNQCLSA-N 1 1 289.335 1.590 40 0 CDABMO Cc1cccc(Cl)c1NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000019365942 356483132 /nfs/dbraw/zinc/48/31/32/356483132.db2.gz PZMRXDNJCFAWEE-CYBMUJFWSA-N 1 1 297.830 1.669 40 0 in-vitro CDABMO NCC(=O)N(C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404310 356991541 /nfs/dbraw/zinc/99/15/41/356991541.db2.gz NPGBTYVYFSQFSI-INIZCTEOSA-N 1 1 287.407 1.601 40 0 CDABMO NCC(=O)N(C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404310 356991542 /nfs/dbraw/zinc/99/15/42/356991542.db2.gz NPGBTYVYFSQFSI-INIZCTEOSA-N 1 1 287.407 1.601 40 0 CDABMO CCOC(=O)[C@@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000059905522 357436408 /nfs/dbraw/zinc/43/64/08/357436408.db2.gz CKPXBRGEMOUHQJ-JTQLQIEISA-N 1 1 253.298 1.137 40 0 CDABMO C[C@H]1CCCC[N@H+]1Cc1ccnc(N2CCOCC2)n1 ZINC000072397371 357831701 /nfs/dbraw/zinc/83/17/01/357831701.db2.gz DOESPACIFNRHPZ-ZDUSSCGKSA-N 1 1 276.384 1.688 40 0 CDABMO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000082334256 358160741 /nfs/dbraw/zinc/16/07/41/358160741.db2.gz OSXQCUVXIBGRLJ-GFCCVEGCSA-N 1 1 275.352 1.925 40 0 CDABMO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000082332079 358160855 /nfs/dbraw/zinc/16/08/55/358160855.db2.gz YLIGKPBAHZMKCJ-NSHDSACASA-N 1 1 278.352 1.984 40 0 CDABMO COc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082307449 358158544 /nfs/dbraw/zinc/15/85/44/358158544.db2.gz JXERCUSNTHJJCM-CYBMUJFWSA-N 1 1 262.353 1.653 40 0 CDABMO Cc1ccc(C[N@@H+]2CC[C@@H]([NH+](C)C)C[C@@H]2C(=O)[O-])cc1 ZINC000096198694 358717494 /nfs/dbraw/zinc/71/74/94/358717494.db2.gz HQRWHMJJEVALCL-HUUCEWRRSA-N 1 1 276.380 1.974 40 0 CDABMO COCC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccno1)C2 ZINC000096203228 358718994 /nfs/dbraw/zinc/71/89/94/358718994.db2.gz PEZINMJSHPJKIF-OAHLLOKOSA-N 1 1 293.367 1.392 40 0 CDABMO COc1ncccc1CN1CCOC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000096201919 358719187 /nfs/dbraw/zinc/71/91/87/358719187.db2.gz MISNYPRWRQRVLB-MRXNPFEDSA-N 1 1 291.395 1.244 40 0 CDABMO CC[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](C)C2)C1 ZINC000096216661 358721535 /nfs/dbraw/zinc/72/15/35/358721535.db2.gz MJBSZMNVYDMBCK-WBVHZDCISA-N 1 1 289.423 1.872 40 0 CDABMO CC[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](C)C2)C1 ZINC000096216661 358721536 /nfs/dbraw/zinc/72/15/36/358721536.db2.gz MJBSZMNVYDMBCK-WBVHZDCISA-N 1 1 289.423 1.872 40 0 CDABMO CC[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(C)C2)C1 ZINC000096216661 358721537 /nfs/dbraw/zinc/72/15/37/358721537.db2.gz MJBSZMNVYDMBCK-WBVHZDCISA-N 1 1 289.423 1.872 40 0 CDABMO CC[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(C)C2)C1 ZINC000096216661 358721538 /nfs/dbraw/zinc/72/15/38/358721538.db2.gz MJBSZMNVYDMBCK-WBVHZDCISA-N 1 1 289.423 1.872 40 0 CDABMO CC(C)NC(=O)c1cc2c(nc1N(C)C)CC[N@@H+](C)CC2 ZINC000096260347 358729515 /nfs/dbraw/zinc/72/95/15/358729515.db2.gz DQXLDMPRLSOFRG-UHFFFAOYSA-N 1 1 290.411 1.316 40 0 CDABMO COCC(=O)N1CCC[C@]2(C[C@@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000107790596 359028637 /nfs/dbraw/zinc/02/86/37/359028637.db2.gz HMKYSGSLGKCSAA-BBRMVZONSA-N 1 1 296.411 1.125 40 0 CDABMO COc1ccc(-c2n[nH]c(SCC[NH3+])n2)cc1OC ZINC000224978434 359541118 /nfs/dbraw/zinc/54/11/18/359541118.db2.gz ORBTZIIYPSROQP-UHFFFAOYSA-N 1 1 280.353 1.540 40 0 CDABMO CCOc1ccccc1OCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000075752509 360360009 /nfs/dbraw/zinc/36/00/09/360360009.db2.gz NELSNTOHPHIZDE-ZDUSSCGKSA-N 1 1 292.379 1.627 40 0 CDABMO C[N@H+](CC(=O)N1CCCC1)[C@H](CCO)c1ccccc1 ZINC000075899479 366920153 /nfs/dbraw/zinc/92/01/53/366920153.db2.gz LZAXYXIZMNILOM-OAHLLOKOSA-N 1 1 276.380 1.664 40 0 CDABMO C[N@@H+](CC(=O)N1CCCC1)[C@H](CCO)c1ccccc1 ZINC000075899479 366920155 /nfs/dbraw/zinc/92/01/55/366920155.db2.gz LZAXYXIZMNILOM-OAHLLOKOSA-N 1 1 276.380 1.664 40 0 CDABMO C[C@@H](C(=O)N(C)Cc1ncc[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000331618081 204016031 /nfs/dbraw/zinc/01/60/31/204016031.db2.gz DXPAHJBLJYPFBN-ZDUSSCGKSA-N 1 1 298.390 1.815 40 0 CDABMO C[C@@H](C(=O)N(C)Cc1ncc[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000331618081 204016034 /nfs/dbraw/zinc/01/60/34/204016034.db2.gz DXPAHJBLJYPFBN-ZDUSSCGKSA-N 1 1 298.390 1.815 40 0 CDABMO C[N@H+]1C[C@@H]2CN(Cc3ccccn3)CCN2C(C)(C)C1 ZINC000253407955 373708446 /nfs/dbraw/zinc/70/84/46/373708446.db2.gz WYFKYWURXVLRQY-OAHLLOKOSA-N 1 1 274.412 1.292 40 0 biogenic,in-vitro CDABMO Cc1cc(N2CCC(n3cncn3)CC2)nc(C)[nH+]1 ZINC000078987991 374751526 /nfs/dbraw/zinc/75/15/26/374751526.db2.gz YRUGOXKWZMUBRI-UHFFFAOYSA-N 1 1 258.329 1.526 40 0 CDABMO CC(C)C[N@H+]1CCc2nc(N)c(C(=O)N(C)C)cc2C1 ZINC000019700654 374776570 /nfs/dbraw/zinc/77/65/70/374776570.db2.gz YGROHKHDELACFJ-UHFFFAOYSA-N 1 1 276.384 1.380 40 0 CDABMO COC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)CCC(C)C)C2)C1 ZINC000306137941 374969666 /nfs/dbraw/zinc/96/96/66/374969666.db2.gz RKMZJADLJRRLOL-CQSZACIVSA-N 1 1 282.428 1.992 40 0 CDABMO c1cn2c(n1)nccc2[C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000257235632 190016878 /nfs/dbraw/zinc/01/68/78/190016878.db2.gz GYSHTNMKYFQZLH-GFCCVEGCSA-N 1 1 272.352 1.698 40 0 CDABMO CNc1cc([C@H]2CCCN2C(=O)Cn2cc[nH+]c2C)ccn1 ZINC000257223340 190015061 /nfs/dbraw/zinc/01/50/61/190015061.db2.gz DWXKVEVURSYUJE-CQSZACIVSA-N 1 1 299.378 1.992 40 0 CDABMO CN(Cc1ccc(F)cc1)C(=O)[C@@]1(C)C[N@H+](C)CCO1 ZINC000257239834 190018125 /nfs/dbraw/zinc/01/81/25/190018125.db2.gz HQZCPBVROCPHRD-OAHLLOKOSA-N 1 1 280.343 1.505 40 0 CDABMO CN(Cc1ccc(F)cc1)C(=O)[C@@]1(C)C[N@@H+](C)CCO1 ZINC000257239834 190018126 /nfs/dbraw/zinc/01/81/26/190018126.db2.gz HQZCPBVROCPHRD-OAHLLOKOSA-N 1 1 280.343 1.505 40 0 CDABMO Cc1nc([C@H]2CCCC[NH2+]2)ncc1C(=O)N1CCOCC1 ZINC000257250736 190020075 /nfs/dbraw/zinc/02/00/75/190020075.db2.gz JNVQCLCUMOKHKR-CYBMUJFWSA-N 1 1 290.367 1.072 40 0 CDABMO CN(C)c1ncc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cn1 ZINC000257289161 190028020 /nfs/dbraw/zinc/02/80/20/190028020.db2.gz PXGQCEYUYXOBJW-AWEZNQCLSA-N 1 1 298.394 1.712 40 0 CDABMO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000035093046 390141403 /nfs/dbraw/zinc/14/14/03/390141403.db2.gz NOPQVBCPBSUPGR-QMIVOQANSA-N 1 1 271.401 1.662 40 0 CDABMO CC(C)[N@H+]1CCOC[C@]2(CN(CC3CC3)CCO2)C1 ZINC000096049757 390912392 /nfs/dbraw/zinc/91/23/92/390912392.db2.gz DEYWVAAANHORRH-HNNXBMFYSA-N 1 1 268.401 1.208 40 0 CDABMO CC(C)N1CCOC[C@]2(C[N@H+](CC3CC3)CCO2)C1 ZINC000096049757 390912393 /nfs/dbraw/zinc/91/23/93/390912393.db2.gz DEYWVAAANHORRH-HNNXBMFYSA-N 1 1 268.401 1.208 40 0 CDABMO CC(C)N1CCOC[C@]2(C[N@@H+](CC3CC3)CCO2)C1 ZINC000096049757 390912394 /nfs/dbraw/zinc/91/23/94/390912394.db2.gz DEYWVAAANHORRH-HNNXBMFYSA-N 1 1 268.401 1.208 40 0 CDABMO C[C@H]1[C@H](c2ccccc2)[N@@H+](C)CC[C@]12NC(=O)NC2=O ZINC000004011777 391417570 /nfs/dbraw/zinc/41/75/70/391417570.db2.gz FQTIIVLASVNVSP-NVBFEUDRSA-N 1 1 273.336 1.278 40 0 CDABMO C[N@H+]1C[C@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306125052 392106270 /nfs/dbraw/zinc/10/62/70/392106270.db2.gz CFWOKLCLDPVUQZ-GJZGRUSLSA-N 1 1 282.347 1.394 40 0 CDABMO CC[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](C)CC1 ZINC000020141513 171027454 /nfs/dbraw/zinc/02/74/54/171027454.db2.gz JXQATLCIOYZHGH-CYBMUJFWSA-N 1 1 290.371 1.013 40 0 CDABMO [NH3+][C@@H](Cc1c[nH]cn1)c1nnc(-c2ccccc2)o1 ZINC000072210627 176342896 /nfs/dbraw/zinc/34/28/96/176342896.db2.gz GTEWENPCSRFSIE-NSHDSACASA-N 1 1 255.281 1.702 40 0 CDABMO CN1CC[NH2+][C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000072352829 176374062 /nfs/dbraw/zinc/37/40/62/176374062.db2.gz DHPMCCJRYLVTNA-MRXNPFEDSA-N 1 1 281.359 1.721 40 0 CDABMO O=C1NCC[NH2+][C@H]1Cc1cccc(-c2cccnc2)c1 ZINC000072352876 176374463 /nfs/dbraw/zinc/37/44/63/176374463.db2.gz ZVEIKMBUDRKKIW-HNNXBMFYSA-N 1 1 267.332 1.379 40 0 CDABMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000072370003 176384022 /nfs/dbraw/zinc/38/40/22/176384022.db2.gz LHNABXJTALOKTQ-CYBMUJFWSA-N 1 1 299.378 1.496 40 0 CDABMO COc1ccc(CNC(=O)[C@]2(C)C[N@H+](C)CCO2)cc1 ZINC000072379331 176386597 /nfs/dbraw/zinc/38/65/97/176386597.db2.gz YSYPBWRKLRUGKY-HNNXBMFYSA-N 1 1 278.352 1.032 40 0 CDABMO COc1ccc(CNC(=O)[C@]2(C)C[N@@H+](C)CCO2)cc1 ZINC000072379331 176386598 /nfs/dbraw/zinc/38/65/98/176386598.db2.gz YSYPBWRKLRUGKY-HNNXBMFYSA-N 1 1 278.352 1.032 40 0 CDABMO C[N@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000072379356 176386688 /nfs/dbraw/zinc/38/66/88/176386688.db2.gz MFPSCQAJVWDAPZ-CYBMUJFWSA-N 1 1 283.335 1.891 40 0 CDABMO Nc1ccc(C[C@@H]2CCC[N@@H+](CCc3ccncc3)C2)nn1 ZINC000072387353 176392528 /nfs/dbraw/zinc/39/25/28/176392528.db2.gz WPQCZGPNYCFSBM-HNNXBMFYSA-N 1 1 297.406 1.951 40 0 CDABMO CCN1CCC[C@@](O)(C[N@H+]2CCCC[C@@H]2CCO)C1 ZINC000046087853 423932973 /nfs/dbraw/zinc/93/29/73/423932973.db2.gz MTPYSZIMCYAYGJ-CABCVRRESA-N 1 1 270.417 1.070 40 0 CDABMO COCC[N@H+]1CCC[C@H]1c1nc(C)ncc1CNC(C)=O ZINC000257235446 277223595 /nfs/dbraw/zinc/22/35/95/277223595.db2.gz GXWIPYVDZFYGFD-AWEZNQCLSA-N 1 1 292.383 1.204 40 0 CDABMO CS[C@H]1CCC[C@H]1[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000076147030 278162261 /nfs/dbraw/zinc/16/22/61/278162261.db2.gz OOCBMNKWPYPHHR-OLZOCXBDSA-N 1 1 286.441 1.451 40 0 CDABMO COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@H](C2)[N@H+](C)CC[C@@]314 ZINC000000517836 295278585 /nfs/dbraw/zinc/27/85/85/295278585.db2.gz LLPOLZWFYMWNKH-FVEFGIFQSA-N 1 1 299.370 1.933 40 0 CDABMO COc1ccc(/C=C/C(=O)N2CC[NH+](C)CC2)cc1 ZINC000054566319 523384969 /nfs/dbraw/zinc/38/49/69/523384969.db2.gz CQPRMSSEHPCWMS-VMPITWQZSA-N 1 1 260.337 1.482 40 0 CDABMO CC(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096080871 185090743 /nfs/dbraw/zinc/09/07/43/185090743.db2.gz ODNSROBKFBDQJA-GASCZTMLSA-N 1 1 273.380 1.628 40 0 CDABMO Cc1cc(CN2Cc3ccnn3CC[C@@H]2C[NH+](C)C)n[nH]1 ZINC000585096979 342211819 /nfs/dbraw/zinc/21/18/19/342211819.db2.gz GGXRAPDIARYIOR-CQSZACIVSA-N 1 1 288.399 1.251 40 0 CDABMO CC(C)N1C[C@]2(CCC[N@@H+](C[C@@H]3CCCO3)C2)C1=O ZINC000585099567 342212228 /nfs/dbraw/zinc/21/22/28/342212228.db2.gz QMPQJYRSQSHVIS-DZGCQCFKSA-N 1 1 266.385 1.498 40 0 CDABMO CN(C)c1nc([C@@H]2CCC[N@@H+](CCO)C2)cn2cccc12 ZINC000585178751 342232591 /nfs/dbraw/zinc/23/25/91/342232591.db2.gz FUWQQVAGUJYVDM-CYBMUJFWSA-N 1 1 288.395 1.572 40 0 CDABMO CC(C)[NH+]1CC2(C1)C[C@@H](Oc1ncccn1)CCO2 ZINC000248178365 362156701 /nfs/dbraw/zinc/15/67/01/362156701.db2.gz WXYXYRYSAGBTTB-LBPRGKRZSA-N 1 1 263.341 1.497 40 0 CDABMO CNc1cc([C@@H]2CCC[N@H+]2CC2(O)CCOCC2)ccn1 ZINC000257322791 362586052 /nfs/dbraw/zinc/58/60/52/362586052.db2.gz WHKMLJMIORTYOP-AWEZNQCLSA-N 1 1 291.395 1.802 40 0 CDABMO COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000000000583 346023657 /nfs/dbraw/zinc/02/36/57/346023657.db2.gz LLPOLZWFYMWNKH-RHMWETHNSA-N 1 1 299.370 1.933 40 0 CDABMO O=C1CCC[C@@H]2[C@@H](CC[N@@H+]2CCOc2ccc(F)cc2)N1 ZINC000019713258 348736578 /nfs/dbraw/zinc/73/65/78/348736578.db2.gz JIJYSRIQIJSQHJ-HUUCEWRRSA-N 1 1 292.354 1.948 40 0 CDABMO OC[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019405935 356484730 /nfs/dbraw/zinc/48/47/30/356484730.db2.gz BRFMGIFYRIRRDH-ZDUSSCGKSA-N 1 1 284.363 1.743 40 0 CDABMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)N1CCCCC1 ZINC000019496377 356487560 /nfs/dbraw/zinc/48/75/60/356487560.db2.gz GMLPYRJUEHSNAR-CYBMUJFWSA-N 1 1 289.445 1.181 40 0 CDABMO CN1C(SCc2ccccc2)=[NH+][C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508674 356780662 /nfs/dbraw/zinc/78/06/62/356780662.db2.gz PZGJULCPIZZAGY-RYUDHWBXSA-N 1 1 296.417 1.387 40 0 CDABMO CCOC(=O)[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000061892891 358037961 /nfs/dbraw/zinc/03/79/61/358037961.db2.gz YIRKWTZNRFSZGH-SNVBAGLBSA-N 1 1 272.142 1.882 40 0 CDABMO CCC[C@H](c1nnnn1C(C)(C)CC)N1CC[NH+](C)CC1 ZINC000019501850 358096882 /nfs/dbraw/zinc/09/68/82/358096882.db2.gz WFRPNEQOTDQBFF-CYBMUJFWSA-N 1 1 294.447 1.907 40 0 CDABMO CN(C)C[C@]12COC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000096108241 358708307 /nfs/dbraw/zinc/70/83/07/358708307.db2.gz XPAHZYFEJSHYJJ-CVEARBPZSA-N 1 1 260.381 1.697 40 0 CDABMO CN(C)C[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000096108241 358708309 /nfs/dbraw/zinc/70/83/09/358708309.db2.gz XPAHZYFEJSHYJJ-CVEARBPZSA-N 1 1 260.381 1.697 40 0 CDABMO C[NH+](C)C[C@]12COC[C@H]1CN(Cc1ccccc1)C2 ZINC000096108241 358708310 /nfs/dbraw/zinc/70/83/10/358708310.db2.gz XPAHZYFEJSHYJJ-CVEARBPZSA-N 1 1 260.381 1.697 40 0 CDABMO Cc1ccccc1N1C[C@@]2(CC[N@@H+](CCO)C2)CC1=O ZINC000096239425 358724960 /nfs/dbraw/zinc/72/49/60/358724960.db2.gz WEPAXOOTBSFMOL-INIZCTEOSA-N 1 1 274.364 1.416 40 0 CDABMO O=C1[C@H]2C[N@H+]([C@@H]3CCOC3)C[C@H]2CN1c1ccsc1 ZINC000096245219 358725768 /nfs/dbraw/zinc/72/57/68/358725768.db2.gz SVYWNYIMYNYFGQ-LOWVWBTDSA-N 1 1 278.377 1.432 40 0 CDABMO CO[C@@H]1C[C@H]2CN(Cc3cccc(C)n3)CC[N@H+]2C1 ZINC000096249526 358726609 /nfs/dbraw/zinc/72/66/09/358726609.db2.gz KIANPNVETHFGCW-LSDHHAIUSA-N 1 1 261.369 1.295 40 0 CDABMO Cn1cc(-c2ncnc3c2CC[N@H+]([C@@H]2CCOC2)CC3)cn1 ZINC000096255221 358728327 /nfs/dbraw/zinc/72/83/27/358728327.db2.gz LTNLGLGWMRLCBJ-CYBMUJFWSA-N 1 1 299.378 1.067 40 0 CDABMO COC(=O)c1ccc(C[NH2+]Cc2ccn(C)n2)cc1 ZINC000012399008 365055884 /nfs/dbraw/zinc/05/58/84/365055884.db2.gz HZXLOKAWBQHMMQ-UHFFFAOYSA-N 1 1 259.309 1.497 40 0 CDABMO Cn1nnc2c1CC[NH2+][C@H]2COCc1ccccc1 ZINC000306136801 367314374 /nfs/dbraw/zinc/31/43/74/367314374.db2.gz QDPCAGLUNURZNL-LBPRGKRZSA-N 1 1 258.325 1.219 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)c1cc(-c2ccco2)on1 ZINC000049460879 374000277 /nfs/dbraw/zinc/00/02/77/374000277.db2.gz IVMGUMDUKXGYCI-UHFFFAOYSA-N 1 1 286.291 1.870 40 0 CDABMO O=c1[nH]c([C@@H]2CC[NH2+]C2)nc2c1CCN(C1CCCC1)C2 ZINC000257335471 374421830 /nfs/dbraw/zinc/42/18/30/374421830.db2.gz YKGNIHMLFPJZHF-LLVKDONJSA-N 1 1 288.395 1.560 40 0 CDABMO C[C@H]1CCCC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000225772548 375201638 /nfs/dbraw/zinc/20/16/38/375201638.db2.gz GSWPIKPDAOVEGS-AWEZNQCLSA-N 1 1 267.417 1.273 40 0 CDABMO Cc1[nH+]ccn1CCCN1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000230173560 375531947 /nfs/dbraw/zinc/53/19/47/375531947.db2.gz HPHQQAUWKWEEQC-SOZUMNATSA-N 1 1 269.414 1.423 40 0 CDABMO CCN(CC)CC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256054902 190005792 /nfs/dbraw/zinc/00/57/92/190005792.db2.gz YGSSRDYPMQTNRJ-UHFFFAOYSA-N 1 1 260.332 1.580 40 0 CDABMO Cc1cc(C[N@@H+]2CCC[C@H](Cc3nccnc3N)C2)no1 ZINC000257238966 190018003 /nfs/dbraw/zinc/01/80/03/190018003.db2.gz HNHPOLFNQUZUKD-GFCCVEGCSA-N 1 1 287.367 1.810 40 0 CDABMO Cc1cc(C[N@H+]2CCC[C@H](Cc3nccnc3N)C2)no1 ZINC000257238966 190018004 /nfs/dbraw/zinc/01/80/04/190018004.db2.gz HNHPOLFNQUZUKD-GFCCVEGCSA-N 1 1 287.367 1.810 40 0 CDABMO COCC[N@H+]1CCC[C@@H](c2nccnc2-c2cn[nH]c2)C1 ZINC000257256676 190021580 /nfs/dbraw/zinc/02/15/80/190021580.db2.gz KMLLXLWXVLHALP-GFCCVEGCSA-N 1 1 287.367 1.693 40 0 CDABMO Nc1nccnc1C[C@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC000257309739 190031166 /nfs/dbraw/zinc/03/11/66/190031166.db2.gz UCFKLSBTMMAQSW-GFCCVEGCSA-N 1 1 284.367 1.304 40 0 CDABMO CS(=O)(=O)CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000049002030 375929069 /nfs/dbraw/zinc/92/90/69/375929069.db2.gz JJEKWUKCCWNJAE-UHFFFAOYSA-N 1 1 283.393 1.616 40 0 CDABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000096526068 256730598 /nfs/dbraw/zinc/73/05/98/256730598.db2.gz FFVTWRQYJMZTKR-VHSXEESVSA-N 1 1 258.243 1.936 40 0 CDABMO CN1CCN(c2ncccc2[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000072216596 390622247 /nfs/dbraw/zinc/62/22/47/390622247.db2.gz DRDZMYRORBTDAE-HNNXBMFYSA-N 1 1 274.412 1.990 40 0 CDABMO CN1CCN(c2ncccc2[C@@H]2CCCC[N@H+]2C)CC1 ZINC000072216596 390622248 /nfs/dbraw/zinc/62/22/48/390622248.db2.gz DRDZMYRORBTDAE-HNNXBMFYSA-N 1 1 274.412 1.990 40 0 CDABMO C[C@H]1CCC[C@H]1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020707358 390983763 /nfs/dbraw/zinc/98/37/63/390983763.db2.gz NOPQVBCPBSUPGR-VQJWOFKYSA-N 1 1 271.401 1.662 40 0 CDABMO CO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1scnc1C ZINC000097953721 533265569 /nfs/dbraw/zinc/26/55/69/533265569.db2.gz UCOOCMIMHFUVGW-GMXVVIOVSA-N 1 1 268.382 1.830 40 0 CDABMO CO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1scnc1C ZINC000097953721 533265579 /nfs/dbraw/zinc/26/55/79/533265579.db2.gz UCOOCMIMHFUVGW-GMXVVIOVSA-N 1 1 268.382 1.830 40 0 CDABMO C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000082311367 135005262 /nfs/dbraw/zinc/00/52/62/135005262.db2.gz WDSDBFRNHNVCRC-OAHLLOKOSA-N 1 1 287.407 1.677 40 0 CDABMO CCN(CC)CC[NH2+]CC(=O)N1c2ccccc2C[C@@H]1C ZINC000022586242 171393558 /nfs/dbraw/zinc/39/35/58/171393558.db2.gz OXNJBNUHZSCFJF-AWEZNQCLSA-N 1 1 289.423 1.896 40 0 CDABMO Cc1ccccc1OC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072367788 176382539 /nfs/dbraw/zinc/38/25/39/176382539.db2.gz YECAZPPPFCCAAV-ZDUSSCGKSA-N 1 1 262.353 1.571 40 0 CDABMO NC(=O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000072367789 176382863 /nfs/dbraw/zinc/38/28/63/176382863.db2.gz MZDDLQIIKNTOIC-UHFFFAOYSA-N 1 1 277.299 1.632 40 0 CDABMO CNC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000072380923 176387150 /nfs/dbraw/zinc/38/71/50/176387150.db2.gz HNWSKEJEOFJSGO-ZDUSSCGKSA-N 1 1 276.384 1.073 40 0 CDABMO CNC(=O)C[N@H+]1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000072380923 176387151 /nfs/dbraw/zinc/38/71/51/176387151.db2.gz HNWSKEJEOFJSGO-ZDUSSCGKSA-N 1 1 276.384 1.073 40 0 CDABMO COC(=O)[C@@H]1C[C@@]2(c3ccccc3NC2=O)[N@H+]2CCC[C@@H]12 ZINC000216297969 262154616 /nfs/dbraw/zinc/15/46/16/262154616.db2.gz GILNPVJKDQWNGY-HICWGWBUSA-N 1 1 286.331 1.491 40 0 CDABMO CCC[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2CC1CC1 ZINC000306141446 276014281 /nfs/dbraw/zinc/01/42/81/276014281.db2.gz VWKUIKSVVUPRLY-LSDHHAIUSA-N 1 1 273.380 1.989 40 0 CDABMO CN1CCN([C@H]2COC3(C2)CC[NH+](CC2CC2)CC3)CC1 ZINC000096048866 290056874 /nfs/dbraw/zinc/05/68/74/290056874.db2.gz QJJXYAWKDDCFQC-MRXNPFEDSA-N 1 1 293.455 1.267 40 0 CDABMO COC(=O)[C@H]1C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072398209 327110349 /nfs/dbraw/zinc/11/03/49/327110349.db2.gz OCBUHOSYXFYIPV-VNHYZAJKSA-N 1 1 291.322 1.921 40 0 CDABMO COC(=O)[C@H]1C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072398209 327110350 /nfs/dbraw/zinc/11/03/50/327110350.db2.gz OCBUHOSYXFYIPV-VNHYZAJKSA-N 1 1 291.322 1.921 40 0 CDABMO COC(=O)c1cn(C)nc1C[N@H+](C)C1CCCCC1 ZINC000575441359 1159608502 /nfs/dbraw/zinc/60/85/02/1159608502.db2.gz GPFKEMMRWIASMJ-UHFFFAOYSA-N 1 1 265.357 1.971 40 0 CDABMO COC(=O)c1cn(C)nc1C[N@@H+](C)C1CCCCC1 ZINC000575441359 1159608505 /nfs/dbraw/zinc/60/85/05/1159608505.db2.gz GPFKEMMRWIASMJ-UHFFFAOYSA-N 1 1 265.357 1.971 40 0 CDABMO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000072794033 567903149 /nfs/dbraw/zinc/90/31/49/567903149.db2.gz FZSRRBQGIVWLOS-CYBMUJFWSA-N 1 1 262.353 1.653 40 0 CDABMO COc1c2c(ccc1C[N@@H+](C)CC(OC)OC)OCO2 ZINC000034329419 1165565932 /nfs/dbraw/zinc/56/59/32/1165565932.db2.gz ULZLPEAVQIMJFQ-UHFFFAOYSA-N 1 1 283.324 1.475 40 0 CDABMO COc1c2c(ccc1C[N@H+](C)CC(OC)OC)OCO2 ZINC000034329419 1165565938 /nfs/dbraw/zinc/56/59/38/1165565938.db2.gz ULZLPEAVQIMJFQ-UHFFFAOYSA-N 1 1 283.324 1.475 40 0 CDABMO CCOc1ccc([C@@H]([NH3+])c2nnc(CC)[nH]2)cc1OC ZINC000095534300 185005643 /nfs/dbraw/zinc/00/56/43/185005643.db2.gz MBMBNFPCVFFJCN-CYBMUJFWSA-N 1 1 276.340 1.823 40 0 CDABMO CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096039318 185069190 /nfs/dbraw/zinc/06/91/90/185069190.db2.gz WPFGANVDWNSCQZ-CVEARBPZSA-N 1 1 293.411 1.828 40 0 CDABMO C[N@H+]1CCC[C@]2(CN(Cc3nccs3)CCO2)C1 ZINC000096049063 185073124 /nfs/dbraw/zinc/07/31/24/185073124.db2.gz XLVHOLYAMPSFAF-CYBMUJFWSA-N 1 1 267.398 1.440 40 0 CDABMO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)c1cccnc1)CC2 ZINC000096084158 185091882 /nfs/dbraw/zinc/09/18/82/185091882.db2.gz WJHBXVVFFSFRNW-UHFFFAOYSA-N 1 1 299.378 1.075 40 0 CDABMO CC[C@@H](C)[N@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099473 342212242 /nfs/dbraw/zinc/21/22/42/342212242.db2.gz MBXKHOHUZYIKIJ-IUODEOHRSA-N 1 1 274.368 1.704 40 0 CDABMO O=C1CCCC[C@@H]2[C@H](CC[N@@H+]2CC2(O)CCCC2)N1 ZINC000585282593 342258478 /nfs/dbraw/zinc/25/84/78/342258478.db2.gz HRUDKQKDYKIBHS-QWHCGFSZSA-N 1 1 266.385 1.425 40 0 CDABMO CO[C@@H]1Cn2nccc2C[N@@H+](CCc2ccccc2)C1 ZINC000247881911 362136356 /nfs/dbraw/zinc/13/63/56/362136356.db2.gz QJAVIZPYMQJTAS-INIZCTEOSA-N 1 1 271.364 1.956 40 0 CDABMO Cn1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cn1 ZINC000503722415 362302790 /nfs/dbraw/zinc/30/27/90/362302790.db2.gz BKJOGTNJQQRGBB-DLBZAZTESA-N 1 1 297.406 1.664 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cn1 ZINC000503722415 362302796 /nfs/dbraw/zinc/30/27/96/362302796.db2.gz BKJOGTNJQQRGBB-DLBZAZTESA-N 1 1 297.406 1.664 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cn1 ZINC000503722415 362302799 /nfs/dbraw/zinc/30/27/99/362302799.db2.gz BKJOGTNJQQRGBB-DLBZAZTESA-N 1 1 297.406 1.664 40 0 CDABMO CCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257258248 362581187 /nfs/dbraw/zinc/58/11/87/362581187.db2.gz KSZAVRSQIIWVSK-CYBMUJFWSA-N 1 1 297.424 1.640 40 0 CDABMO c1nc(NC2CC2)cc(N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000413053582 362751832 /nfs/dbraw/zinc/75/18/32/362751832.db2.gz NXOUYKDDFGPVBH-ZDUSSCGKSA-N 1 1 273.384 1.725 40 0 CDABMO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(CO)cc1 ZINC000091355853 180138672 /nfs/dbraw/zinc/13/86/72/180138672.db2.gz RAFYXCPSYWAOID-GFCCVEGCSA-N 1 1 251.326 1.390 40 0 CDABMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000107711030 186188093 /nfs/dbraw/zinc/18/80/93/186188093.db2.gz QDVIMXPIVJKTEN-CABCVRRESA-N 1 1 279.384 1.438 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)cc1 ZINC000004497850 356033115 /nfs/dbraw/zinc/03/31/15/356033115.db2.gz VQNJVEUIDSWMDN-CQSZACIVSA-N 1 1 289.379 1.534 40 0 CDABMO CC(=O)CCSc1nc(C)cc(N2CC[NH+](C)CC2)n1 ZINC000006500546 356076246 /nfs/dbraw/zinc/07/62/46/356076246.db2.gz RLABQBKLPMACIT-UHFFFAOYSA-N 1 1 294.424 1.608 40 0 CDABMO C[NH+]1CCN(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000016189115 356433877 /nfs/dbraw/zinc/43/38/77/356433877.db2.gz KIOKCKPSAYWIKJ-UHFFFAOYSA-N 1 1 270.283 1.249 40 0 CDABMO CN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404171 356990131 /nfs/dbraw/zinc/99/01/31/356990131.db2.gz WMPRNLZOPOUTET-OAHLLOKOSA-N 1 1 275.396 1.316 40 0 CDABMO CC(C)N(C[C@@H]1CC[N@@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079408080 356992184 /nfs/dbraw/zinc/99/21/84/356992184.db2.gz LMZSTACSOOEMGX-CYBMUJFWSA-N 1 1 286.416 1.946 40 0 CDABMO NC(=O)[C@H](C(=O)C[NH+]1CCCCC1)c1ccccc1 ZINC000005999476 283340825 /nfs/dbraw/zinc/34/08/25/283340825.db2.gz UFBPPEOSLKITDF-AWEZNQCLSA-N 1 1 260.337 1.311 40 0 CDABMO Cc1cc(N2CC[NH2+]CC2)nc(N2CCCCC2)n1 ZINC000008731107 358388383 /nfs/dbraw/zinc/38/83/83/358388383.db2.gz DATXPODXGGIQEY-UHFFFAOYSA-N 1 1 261.373 1.185 40 0 CDABMO O=C(C1CCC1)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161634 358711100 /nfs/dbraw/zinc/71/11/00/358711100.db2.gz PZSNYZPRMFFVEL-GASCZTMLSA-N 1 1 285.391 1.772 40 0 CDABMO CN(C)[C@@H]1CC[N@@H+](CC2CC2)[C@H]1Cc1cnn(C)c1 ZINC000096200925 358718371 /nfs/dbraw/zinc/71/83/71/358718371.db2.gz LHRMWLQJURQFGU-CABCVRRESA-N 1 1 262.401 1.377 40 0 CDABMO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2CC2CC2)cn1 ZINC000096200925 358718375 /nfs/dbraw/zinc/71/83/75/358718375.db2.gz LHRMWLQJURQFGU-CABCVRRESA-N 1 1 262.401 1.377 40 0 CDABMO C[N@H+]1CC[C@H]2C(=O)N(c3ccccc3)CCO[C@H]2C1 ZINC000096207098 358720188 /nfs/dbraw/zinc/72/01/88/358720188.db2.gz LZQOMTXQWZVNJM-KGLIPLIRSA-N 1 1 260.337 1.370 40 0 CDABMO O=C1N(c2ccccc2)CC[C@@]12CCC[N@H+](CCO)C2 ZINC000096224745 358723283 /nfs/dbraw/zinc/72/32/83/358723283.db2.gz ZFADRWLXZFLMRH-MRXNPFEDSA-N 1 1 274.364 1.498 40 0 CDABMO OCC[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC000096239818 358724880 /nfs/dbraw/zinc/72/48/80/358724880.db2.gz YEVCYWIWILAQDQ-ZDUSSCGKSA-N 1 1 298.337 1.006 40 0 CDABMO COCC[N@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)C[C@H]2C1 ZINC000096246096 358725359 /nfs/dbraw/zinc/72/53/59/358725359.db2.gz VYEJUDTYNUWZEU-JKSUJKDBSA-N 1 1 294.439 1.993 40 0 CDABMO COCC[N@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107712081 359027152 /nfs/dbraw/zinc/02/71/52/359027152.db2.gz QASASMSFTLZCOM-HOTGVXAUSA-N 1 1 283.412 1.931 40 0 CDABMO CC[NH+]1CCN(C(=S)NC(=O)c2cccs2)CC1 ZINC000056683332 359085479 /nfs/dbraw/zinc/08/54/79/359085479.db2.gz AQERCXXEQQSGHI-UHFFFAOYSA-N 1 1 283.422 1.400 40 0 CDABMO [NH3+]CC(=O)c1ccc(I)c(F)c1F ZINC000098211105 283421327 /nfs/dbraw/zinc/42/13/27/283421327.db2.gz CDLZBVSBEWEHLR-UHFFFAOYSA-N 1 1 297.042 1.711 40 0 CDABMO Nc1nnc(SCC(=O)C[NH+]2CCCCCC2)s1 ZINC000028616950 375287760 /nfs/dbraw/zinc/28/77/60/375287760.db2.gz CEOHMNKNYFZXSX-UHFFFAOYSA-N 1 1 286.426 1.658 40 0 CDABMO C[C@@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000132084287 375403223 /nfs/dbraw/zinc/40/32/23/375403223.db2.gz AMHRAJYPBBKZIT-DZGCQCFKSA-N 1 1 281.421 1.984 40 0 CDABMO Cc1cc(C[NH2+]Cc2ccnn2CCF)n(C)n1 ZINC000256050059 190003248 /nfs/dbraw/zinc/00/32/48/190003248.db2.gz CMGTVQXZGBSXMA-UHFFFAOYSA-N 1 1 251.309 1.184 40 0 CDABMO CCn1nccc1C[NH2+]Cc1c(C)nn(C)c1F ZINC000256052690 190004058 /nfs/dbraw/zinc/00/40/58/190004058.db2.gz OHQYKLFYCTZHMY-UHFFFAOYSA-N 1 1 251.309 1.374 40 0 CDABMO CCn1cc(C[NH2+]Cc2c(C)nn(C)c2F)c(C)n1 ZINC000256052313 190004404 /nfs/dbraw/zinc/00/44/04/190004404.db2.gz MUZUJGHHDROKBA-UHFFFAOYSA-N 1 1 265.336 1.682 40 0 CDABMO COc1ncc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)cn1 ZINC000257215584 190012779 /nfs/dbraw/zinc/01/27/79/190012779.db2.gz CQSXZNGUXHUPMW-ZFWWWQNUSA-N 1 1 293.367 1.255 40 0 CDABMO COc1ncc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)cn1 ZINC000257215584 190012780 /nfs/dbraw/zinc/01/27/80/190012780.db2.gz CQSXZNGUXHUPMW-ZFWWWQNUSA-N 1 1 293.367 1.255 40 0 CDABMO Cn1nccc1C[N@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257308559 190031562 /nfs/dbraw/zinc/03/15/62/190031562.db2.gz TXEUOXJRQPVNEE-UHFFFAOYSA-N 1 1 298.394 1.677 40 0 CDABMO OC1(C[N@H+]2CCC[C@@H](c3cnccn3)C2)CCOCC1 ZINC000257299188 190029772 /nfs/dbraw/zinc/02/97/72/190029772.db2.gz RPBIVKGVWJRWLB-CYBMUJFWSA-N 1 1 277.368 1.198 40 0 CDABMO CCN(CC)C(=O)c1cncc([C@H]2CCC[N@@H+]2C)n1 ZINC000257312424 190032301 /nfs/dbraw/zinc/03/23/01/190032301.db2.gz UNWVAUHFDLJJJD-CYBMUJFWSA-N 1 1 262.357 1.725 40 0 CDABMO CCN(CC)C(=O)c1cncc([C@H]2CCC[N@H+]2C)n1 ZINC000257312424 190032302 /nfs/dbraw/zinc/03/23/02/190032302.db2.gz UNWVAUHFDLJJJD-CYBMUJFWSA-N 1 1 262.357 1.725 40 0 CDABMO COC(=O)c1cn(-c2cc(C)[nH+]c3ccccc32)nn1 ZINC000218790255 375895765 /nfs/dbraw/zinc/89/57/65/375895765.db2.gz JKJZPWMJZGEEPN-UHFFFAOYSA-N 1 1 268.276 1.911 40 0 CDABMO COc1ccc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c(F)c1 ZINC000257327107 190034991 /nfs/dbraw/zinc/03/49/91/190034991.db2.gz WZYWBDNVYNGFCY-HOTGVXAUSA-N 1 1 295.354 1.950 40 0 CDABMO Cc1cncc([C@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)n1 ZINC000257335523 190036651 /nfs/dbraw/zinc/03/66/51/190036651.db2.gz YKNUTEVTKYJDTK-AWEZNQCLSA-N 1 1 291.395 1.506 40 0 CDABMO COC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059822 390912313 /nfs/dbraw/zinc/91/23/13/390912313.db2.gz CYGQKBPYFZPKBT-AWEZNQCLSA-N 1 1 279.384 1.392 40 0 CDABMO CC(C)N1CCO[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000096054275 390912363 /nfs/dbraw/zinc/91/23/63/390912363.db2.gz LAXPCJKRWZXNDS-KGLIPLIRSA-N 1 1 250.342 1.573 40 0 CDABMO CC(C)N1CCO[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000096054275 390912364 /nfs/dbraw/zinc/91/23/64/390912364.db2.gz LAXPCJKRWZXNDS-KGLIPLIRSA-N 1 1 250.342 1.573 40 0 CDABMO CC(=O)N1CCC[C@H]2[N@H+](Cc3ncc[nH]3)CCC[C@@]21C ZINC000257341546 391649541 /nfs/dbraw/zinc/64/95/41/391649541.db2.gz ZKUZKSYCKQJMOJ-HIFRSBDPSA-N 1 1 276.384 1.775 40 0 CDABMO CC(=O)N1CCC[C@H]2[N@@H+](Cc3ncc[nH]3)CCC[C@@]21C ZINC000257341546 391649545 /nfs/dbraw/zinc/64/95/45/391649545.db2.gz ZKUZKSYCKQJMOJ-HIFRSBDPSA-N 1 1 276.384 1.775 40 0 CDABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccncc3)C2)cc(=O)[nH]1 ZINC000019285282 170772928 /nfs/dbraw/zinc/77/29/28/170772928.db2.gz PHOVIDZIIITTCY-ZDUSSCGKSA-N 1 1 270.336 1.463 40 0 CDABMO Cc1ccc([C@@]2(O)CC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000072367986 176382391 /nfs/dbraw/zinc/38/23/91/176382391.db2.gz ODOKWTJOKSCPHS-MRXNPFEDSA-N 1 1 271.364 1.822 40 0 CDABMO Cc1cc(Nc2ncccn2)nc([C@H]2CC[N@H+](C)C2)n1 ZINC000072382346 176388257 /nfs/dbraw/zinc/38/82/57/176388257.db2.gz CYAXKUDIPZLWFH-NSHDSACASA-N 1 1 270.340 1.738 40 0 CDABMO Cc1nc(C(=O)N2CCCC2)cc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072382864 176388381 /nfs/dbraw/zinc/38/83/81/176388381.db2.gz NESNLYDACRCPIG-CYBMUJFWSA-N 1 1 288.395 1.830 40 0 CDABMO CN(C)c1ccc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)nc1 ZINC000072385942 176390927 /nfs/dbraw/zinc/39/09/27/176390927.db2.gz KUJMLCPNPRESMZ-INIZCTEOSA-N 1 1 291.395 1.700 40 0 CDABMO CN(C)c1ccc([C@@H]2C[N@H+](C3CCOCC3)CCO2)nc1 ZINC000072385942 176390929 /nfs/dbraw/zinc/39/09/29/176390929.db2.gz KUJMLCPNPRESMZ-INIZCTEOSA-N 1 1 291.395 1.700 40 0 CDABMO Cc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)s1 ZINC000072397661 176395226 /nfs/dbraw/zinc/39/52/26/176395226.db2.gz MUPLHMGBHUJIAM-RAIGVLPGSA-N 1 1 266.410 1.696 40 0 CDABMO C[N@H+]1CCC[C@](O)(CN2CCN(c3ccccc3)CC2)C1 ZINC000046087413 423940919 /nfs/dbraw/zinc/94/09/19/423940919.db2.gz VWZKXMNKLXPKSJ-QGZVFWFLSA-N 1 1 289.423 1.265 40 0 CDABMO CN1CCC[C@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000046087413 423940932 /nfs/dbraw/zinc/94/09/32/423940932.db2.gz VWZKXMNKLXPKSJ-QGZVFWFLSA-N 1 1 289.423 1.265 40 0 CDABMO CC(=O)N1CCO[C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC000108526920 277000687 /nfs/dbraw/zinc/00/06/87/277000687.db2.gz KCPIWTIIQULIOR-JYJNAYRXSA-N 1 1 278.396 1.664 40 0 CDABMO CNC(=O)C(C)(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)CC1 ZINC000225402850 290347310 /nfs/dbraw/zinc/34/73/10/290347310.db2.gz ZGCPJBLLDZCNHP-ZDUSSCGKSA-N 1 1 295.427 1.234 40 0 biogenic,in-vitro CDABMO CNC(=O)C(C)(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)CC1 ZINC000225402850 290347313 /nfs/dbraw/zinc/34/73/13/290347313.db2.gz ZGCPJBLLDZCNHP-ZDUSSCGKSA-N 1 1 295.427 1.234 40 0 biogenic,in-vitro CDABMO [NH3+][C@H](c1nc(-c2cnccn2)n[nH]1)c1ccc(F)cc1 ZINC000095533274 185005917 /nfs/dbraw/zinc/00/59/17/185005917.db2.gz USOMGVNOIXFOKW-NSHDSACASA-N 1 1 270.271 1.449 40 0 CDABMO c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@H+](CC2CC2)C3)cn1 ZINC000096052081 185074936 /nfs/dbraw/zinc/07/49/36/185074936.db2.gz PKAXKJCIPPEIKT-JKSUJKDBSA-N 1 1 291.395 1.401 40 0 CDABMO c1cnn(Cc2cn3c(n2)C[N@@H+](CC2CC2)CC3)c1 ZINC000096059436 185080277 /nfs/dbraw/zinc/08/02/77/185080277.db2.gz URDJESRBHMWOPP-UHFFFAOYSA-N 1 1 257.341 1.354 40 0 CDABMO CC(C)[N@H+]1CCCn2nnc(CN3CCCC3)c2C1 ZINC000096084690 185091888 /nfs/dbraw/zinc/09/18/88/185091888.db2.gz TWPQZTIXRQXRHE-UHFFFAOYSA-N 1 1 263.389 1.488 40 0 CDABMO COC[C@]12COC[C@H]1C[N@@H+](Cc1ccsc1)C2 ZINC000096108620 185099798 /nfs/dbraw/zinc/09/97/98/185099798.db2.gz KPAQDWJNNOCXPD-CHWSQXEVSA-N 1 1 253.367 1.843 40 0 CDABMO CCC(CC)C(=O)N1CCN2[C@@H](C1)C[N@@H+](C)CC2(C)C ZINC000253406565 282148199 /nfs/dbraw/zinc/14/81/99/282148199.db2.gz USVVSJRMWFCCBF-CQSZACIVSA-N 1 1 281.444 1.659 40 0 biogenic,in-vitro CDABMO CN(C)C(=O)COCC[C@@H]1Cn2cccc2C[N@@H+](C)C1 ZINC000585095312 342211401 /nfs/dbraw/zinc/21/14/01/342211401.db2.gz OVDCUEFRTLAGMW-ZDUSSCGKSA-N 1 1 279.384 1.045 40 0 CDABMO O[C@H]1CC[N@H+](C2CCC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585282026 342258470 /nfs/dbraw/zinc/25/84/70/342258470.db2.gz GAEJATLMAWPEEP-HOTGVXAUSA-N 1 1 295.354 1.555 40 0 CDABMO CNC(=O)[C@]1(C)CCC[N@@H+](CC2(O)CCCCCC2)C1 ZINC000585282298 342258473 /nfs/dbraw/zinc/25/84/73/342258473.db2.gz DBXIRKXUJQJPOC-OAHLLOKOSA-N 1 1 282.428 1.920 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000257231858 362579380 /nfs/dbraw/zinc/57/93/80/362579380.db2.gz GIKYQHPIQIFGEB-CQSZACIVSA-N 1 1 299.378 1.372 40 0 CDABMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@H]2CCCO2)c1 ZINC000123980613 187116671 /nfs/dbraw/zinc/11/66/71/187116671.db2.gz KSTCHYSRPIPQBD-CYBMUJFWSA-N 1 1 272.308 1.693 40 0 CDABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O)[C@H]2COC(=O)c1ccccc1 ZINC000001687012 355948038 /nfs/dbraw/zinc/94/80/38/355948038.db2.gz TXIYBPZUJGKOLX-BYNSBNAKSA-N 1 1 275.348 1.687 40 0 CDABMO C[N@@H+](CCO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391640 356987985 /nfs/dbraw/zinc/98/79/85/356987985.db2.gz FDZGWLMNRPIKMQ-AWEZNQCLSA-N 1 1 278.352 1.322 40 0 CDABMO CC[N@H+](CCO)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393509 356989099 /nfs/dbraw/zinc/98/90/99/356989099.db2.gz WFRSMUFCVDJMKR-INIZCTEOSA-N 1 1 262.397 1.823 40 0 CDABMO CC[N@@H+](CCO)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393509 356989102 /nfs/dbraw/zinc/98/91/02/356989102.db2.gz WFRSMUFCVDJMKR-INIZCTEOSA-N 1 1 262.397 1.823 40 0 CDABMO CCN(C[C@H]1CC[N@@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407990 356990677 /nfs/dbraw/zinc/99/06/77/356990677.db2.gz DZHDEVWNQKHCEV-LBPRGKRZSA-N 1 1 272.389 1.558 40 0 CDABMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC000079407847 356991006 /nfs/dbraw/zinc/99/10/06/356991006.db2.gz BMVGUWHUYRVAJF-LLVKDONJSA-N 1 1 258.362 1.215 40 0 CDABMO CCOC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000073153773 357868752 /nfs/dbraw/zinc/86/87/52/357868752.db2.gz ARJZLFXHTGUVEC-CYBMUJFWSA-N 1 1 282.384 1.130 40 0 CDABMO Cc1nnsc1C(=O)NCCn1cc[nH+]c1C1CC1 ZINC000225566822 358355293 /nfs/dbraw/zinc/35/52/93/358355293.db2.gz CMJGUBAKKQUBNT-UHFFFAOYSA-N 1 1 277.353 1.350 40 0 CDABMO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccncc2)nc1 ZINC000096055853 358707196 /nfs/dbraw/zinc/70/71/96/358707196.db2.gz UYAAVQCBKHCCPN-CABCVRRESA-N 1 1 281.363 1.725 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@H](O)[C@@H]2Cc2ccccc2)cn1 ZINC000096200339 358718483 /nfs/dbraw/zinc/71/84/83/358718483.db2.gz BVOSDTKYWWFVBU-HOTGVXAUSA-N 1 1 271.364 1.598 40 0 CDABMO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)c1ccc[nH]1)CC2 ZINC000096255887 358728670 /nfs/dbraw/zinc/72/86/70/358728670.db2.gz DQAONUIZCISQKM-UHFFFAOYSA-N 1 1 287.367 1.008 40 0 CDABMO CN(C)c1ncnc2c1CC[N@@H+](Cc1ccccn1)CC2 ZINC000096255391 358728844 /nfs/dbraw/zinc/72/88/44/358728844.db2.gz QHLJMPWDXFGPQK-UHFFFAOYSA-N 1 1 283.379 1.538 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218516643 359056284 /nfs/dbraw/zinc/05/62/84/359056284.db2.gz KWYIZCINPHWJAP-QLFBSQMISA-N 1 1 297.420 1.493 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COC)c2)CC1 ZINC000224401929 359507091 /nfs/dbraw/zinc/50/70/91/359507091.db2.gz VLWYGNMIKIVWFH-UHFFFAOYSA-N 1 1 292.379 1.619 40 0 CDABMO CS[C@H]1CCC[C@@H]1[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000076147032 367003036 /nfs/dbraw/zinc/00/30/36/367003036.db2.gz OOCBMNKWPYPHHR-STQMWFEESA-N 1 1 286.441 1.451 40 0 CDABMO Cc1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000017135480 367027514 /nfs/dbraw/zinc/02/75/14/367027514.db2.gz WRRZGGPVQRQSAH-ZNMIVQPWSA-N 1 1 279.380 1.844 40 0 CDABMO Cc1cccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000017135480 367027516 /nfs/dbraw/zinc/02/75/16/367027516.db2.gz WRRZGGPVQRQSAH-ZNMIVQPWSA-N 1 1 279.380 1.844 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000339470977 371921030 /nfs/dbraw/zinc/92/10/30/371921030.db2.gz KQWCSSHIRQMCBG-BFHYXJOUSA-N 1 1 295.427 1.282 40 0 CDABMO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@H]2N3c1ncnc2[nH]cnc21 ZINC000257209416 190012315 /nfs/dbraw/zinc/01/23/15/190012315.db2.gz BQHFXUXBMCXLLD-XSUJLISDSA-N 1 1 298.394 1.852 40 0 CDABMO C[N@H+]1CCC[C@@H](c2ccc(C(=O)N3CCOCC3)cn2)C1 ZINC000257239134 190017756 /nfs/dbraw/zinc/01/77/56/190017756.db2.gz HOBSIBXBSGWOSR-CQSZACIVSA-N 1 1 289.379 1.363 40 0 CDABMO OCC1CC[NH+](Cc2cnc([C@@H]3CCCCO3)nc2)CC1 ZINC000257252664 190021124 /nfs/dbraw/zinc/02/11/24/190021124.db2.gz JVQHAXNWNCAUSA-HNNXBMFYSA-N 1 1 291.395 1.923 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@]1([NH3+])COC ZINC000242687885 256698850 /nfs/dbraw/zinc/69/88/50/256698850.db2.gz UZERVGVYDLMGFA-BFHYXJOUSA-N 1 1 283.393 1.239 40 0 CDABMO Cc1ccc([C@@]2(C)NC(=N)NC(=[NH2+])N2c2ccccc2)o1 ZINC000054363796 390485525 /nfs/dbraw/zinc/48/55/25/390485525.db2.gz URHNXRBCBRBQQS-HNNXBMFYSA-N 1 1 283.335 1.910 40 0 CDABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@@H]1CCCN1C=O ZINC000072219612 390623020 /nfs/dbraw/zinc/62/30/20/390623020.db2.gz MOUKFYNMLLDMRK-AWEZNQCLSA-N 1 1 275.352 1.520 40 0 CDABMO COCC[N@H+]1CC[C@@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158343 390913309 /nfs/dbraw/zinc/91/33/09/390913309.db2.gz NGHBZECWQYBRRX-OAHLLOKOSA-N 1 1 294.374 1.554 40 0 CDABMO Cc1ccccc1-c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000014606951 391217839 /nfs/dbraw/zinc/21/78/39/391217839.db2.gz MQFOUJFWMVDAFV-UHFFFAOYSA-N 1 1 284.363 1.497 40 0 CDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000242688239 391589488 /nfs/dbraw/zinc/58/94/88/391589488.db2.gz VLUQFGBQDHELRD-RYUDHWBXSA-N 1 1 279.336 1.522 40 0 CDABMO C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306137020 392105662 /nfs/dbraw/zinc/10/56/62/392105662.db2.gz QJDIPSTZVXQNOK-RYUDHWBXSA-N 1 1 297.362 1.264 40 0 CDABMO CCc1nc2c(c(=O)n1C)CC[N@@H+](CC(C)C)CC2 ZINC000306128211 392106046 /nfs/dbraw/zinc/10/60/46/392106046.db2.gz GUJYGBQMBPDNRA-UHFFFAOYSA-N 1 1 263.385 1.399 40 0 CDABMO Cc1ccc([C@@H]([NH3+])c2nc(-c3cnccn3)n[nH]2)cc1 ZINC000095534109 393150561 /nfs/dbraw/zinc/15/05/61/393150561.db2.gz HEVZBFYERPWSJL-GFCCVEGCSA-N 1 1 266.308 1.618 40 0 CDABMO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000022585667 171392708 /nfs/dbraw/zinc/39/27/08/171392708.db2.gz NBSBWUKBMNYYMQ-GFCCVEGCSA-N 1 1 277.368 1.270 40 0 CDABMO COC[C@H]1CN(C(=O)c2ccc(Cl)cc2)CC[N@@H+](C)C1 ZINC000072354438 176374727 /nfs/dbraw/zinc/37/47/27/176374727.db2.gz CGZMPQORSMZKFE-GFCCVEGCSA-N 1 1 296.798 1.990 40 0 CDABMO C[N@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377384 176386218 /nfs/dbraw/zinc/38/62/18/176386218.db2.gz PWNDHQVBRGPTPN-LLVKDONJSA-N 1 1 256.313 1.777 40 0 CDABMO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000225388331 277046814 /nfs/dbraw/zinc/04/68/14/277046814.db2.gz GFTZAYYUWMMUST-UKRRQHHQSA-N 1 1 295.427 1.378 40 0 CDABMO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000225388331 277046816 /nfs/dbraw/zinc/04/68/16/277046816.db2.gz GFTZAYYUWMMUST-UKRRQHHQSA-N 1 1 295.427 1.378 40 0 CDABMO CN1CC[N@H+](Cc2cccnc2)Cc2cccnc21 ZINC000096060909 277109512 /nfs/dbraw/zinc/10/95/12/277109512.db2.gz SGGAEECLXOOWDB-UHFFFAOYSA-N 1 1 254.337 1.929 40 0 CDABMO CN1CC[N@@H+](Cc2cccnc2)Cc2cccnc21 ZINC000096060909 277109513 /nfs/dbraw/zinc/10/95/13/277109513.db2.gz SGGAEECLXOOWDB-UHFFFAOYSA-N 1 1 254.337 1.929 40 0 CDABMO C[N@@H+]1CCN(c2nc3cccc(F)c3o2)C[C@@H]1CO ZINC000894880807 619117044 /nfs/dbraw/zinc/11/70/44/619117044.db2.gz GISMHADTNIVNCU-SECBINFHSA-N 1 1 265.288 1.080 40 0 CDABMO C[N@H+]1CCN(c2nc3cccc(F)c3o2)C[C@@H]1CO ZINC000894880807 619117047 /nfs/dbraw/zinc/11/70/47/619117047.db2.gz GISMHADTNIVNCU-SECBINFHSA-N 1 1 265.288 1.080 40 0 CDABMO CCOc1cc([C@H]([NH3+])c2nnc(CC)[nH]2)ccc1OC ZINC000095534445 185006316 /nfs/dbraw/zinc/00/63/16/185006316.db2.gz HYTNUIIQHDZMSH-ZDUSSCGKSA-N 1 1 276.340 1.823 40 0 CDABMO [NH3+][C@@H](c1nc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC000095533411 185006631 /nfs/dbraw/zinc/00/66/31/185006631.db2.gz ULMJRVVTJMWRFF-GFCCVEGCSA-N 1 1 251.293 1.915 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042904 185070664 /nfs/dbraw/zinc/07/06/64/185070664.db2.gz FRXGJRQEYCFMJV-MELADBBJSA-N 1 1 278.352 1.347 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042904 185070665 /nfs/dbraw/zinc/07/06/65/185070665.db2.gz FRXGJRQEYCFMJV-MELADBBJSA-N 1 1 278.352 1.347 40 0 CDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)NCC1CC1 ZINC000096057180 185078046 /nfs/dbraw/zinc/07/80/46/185078046.db2.gz WNVINKVKKZCSGE-OAGGEKHMSA-N 1 1 292.423 1.507 40 0 CDABMO C[C@H](c1ccccc1)[N@H+]1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC000585103274 342212735 /nfs/dbraw/zinc/21/27/35/342212735.db2.gz ARAHLTJTEMZTKF-PBHICJAKSA-N 1 1 288.391 1.928 40 0 CDABMO CO[C@@H]1C[N@@H+](CCC(N)=O)CC[C@@H]1Cc1ccccc1 ZINC000585277072 342256454 /nfs/dbraw/zinc/25/64/54/342256454.db2.gz FSTYUDRIZJJSOA-HUUCEWRRSA-N 1 1 276.380 1.441 40 0 CDABMO CC(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000248257990 362159905 /nfs/dbraw/zinc/15/99/05/362159905.db2.gz VGKQIWWCSFBJTP-UONOGXRCSA-N 1 1 259.353 1.494 40 0 CDABMO C[N@@H+](CC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1)C1CCCC1 ZINC000257275765 362582385 /nfs/dbraw/zinc/58/23/85/362582385.db2.gz NQUJRFYJZQVPOX-HOCLYGCPSA-N 1 1 296.411 1.003 40 0 CDABMO CC(C)(O)C[N@H+]1CCC[C@]2(C[C@@H](c3cncnc3)CO2)C1 ZINC000107787177 186190870 /nfs/dbraw/zinc/19/08/70/186190870.db2.gz BMOFOBUCYAPTBV-CJNGLKHVSA-N 1 1 291.395 1.586 40 0 CDABMO COc1cccc(C[N@H+]2CCC[C@]3(CCNC3=O)CC2)n1 ZINC000108531405 186221623 /nfs/dbraw/zinc/22/16/23/186221623.db2.gz JEUQMNCTLLRTCY-INIZCTEOSA-N 1 1 289.379 1.582 40 0 CDABMO COCCN1CC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000155465190 351377937 /nfs/dbraw/zinc/37/79/37/351377937.db2.gz POLKLJVGISNMDE-AWEZNQCLSA-N 1 1 298.427 1.230 40 0 CDABMO CO[C@@H](C)c1cccc(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000157700402 188333557 /nfs/dbraw/zinc/33/35/57/188333557.db2.gz WZWAKYOGBOKTJC-JOYOIKCWSA-N 1 1 266.366 1.995 40 0 CDABMO CCCOCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019419092 356484900 /nfs/dbraw/zinc/48/49/00/356484900.db2.gz PHYFJDQWNUPOQC-UHFFFAOYSA-N 1 1 276.380 1.757 40 0 CDABMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1nc(C)cc1C ZINC000019527280 356490216 /nfs/dbraw/zinc/49/02/16/356490216.db2.gz KTDKSIMZFIHISB-CQSZACIVSA-N 1 1 278.400 1.491 40 0 CDABMO CNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000072388587 357831756 /nfs/dbraw/zinc/83/17/56/357831756.db2.gz KGKAJONARRFWEI-LBPRGKRZSA-N 1 1 278.356 1.085 40 0 CDABMO CNC(=O)c1cn[nH]c1[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000072388587 357831758 /nfs/dbraw/zinc/83/17/58/357831758.db2.gz KGKAJONARRFWEI-LBPRGKRZSA-N 1 1 278.356 1.085 40 0 CDABMO CNC(=O)c1cn[nH]c1[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000072388587 357831761 /nfs/dbraw/zinc/83/17/61/357831761.db2.gz KGKAJONARRFWEI-LBPRGKRZSA-N 1 1 278.356 1.085 40 0 CDABMO CCOC(=O)[C@H]([NH3+])Cc1c[nH]c2ccc(OC)cc12 ZINC000026891760 358021801 /nfs/dbraw/zinc/02/18/01/358021801.db2.gz ZUOWUYQGWVXZKK-GFCCVEGCSA-N 1 1 262.309 1.609 40 0 CDABMO Cc1noc(C)c1C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC000096182362 358713186 /nfs/dbraw/zinc/71/31/86/358713186.db2.gz OUFDFPOJUQXTPH-OKILXGFUSA-N 1 1 299.378 1.650 40 0 CDABMO C[NH+](C)Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2 ZINC000096197157 358716383 /nfs/dbraw/zinc/71/63/83/358716383.db2.gz JNOAAJFXIDFWEN-UHFFFAOYSA-N 1 1 290.392 1.662 40 0 CDABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](CCO)C[C@@H]12 ZINC000096251882 358727479 /nfs/dbraw/zinc/72/74/79/358727479.db2.gz XMCNVKJEWLXUPV-IAGOWNOFSA-N 1 1 288.391 1.243 40 0 CDABMO CC(C)[N@@H+]1CCc2nc(N3CCCC3)nc(N(C)C)c2C1 ZINC000096253987 358727790 /nfs/dbraw/zinc/72/77/90/358727790.db2.gz GBHOUXSSHLYOQA-UHFFFAOYSA-N 1 1 289.427 1.909 40 0 CDABMO CC(C)[N@H+]1CCc2nc(N3CCCC3)nc(N(C)C)c2C1 ZINC000096253987 358727792 /nfs/dbraw/zinc/72/77/92/358727792.db2.gz GBHOUXSSHLYOQA-UHFFFAOYSA-N 1 1 289.427 1.909 40 0 CDABMO CN(C)Cc1nnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000096259862 358729539 /nfs/dbraw/zinc/72/95/39/358729539.db2.gz OPXPQVHOMLOLBQ-UHFFFAOYSA-N 1 1 291.424 1.460 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 ZINC000028210933 359530312 /nfs/dbraw/zinc/53/03/12/359530312.db2.gz ZXANWFBRVCRPAP-UHFFFAOYSA-N 1 1 272.270 1.882 40 0 CDABMO COc1cccc(OC)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000225995641 359639370 /nfs/dbraw/zinc/63/93/70/359639370.db2.gz BSLMFENSFYWHLE-UHFFFAOYSA-N 1 1 292.379 1.410 40 0 CDABMO CN1C(=O)c2cccnc2O[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000514289718 360120107 /nfs/dbraw/zinc/12/01/07/360120107.db2.gz NTBVHYCTMLKBNF-OLZOCXBDSA-N 1 1 273.336 1.009 40 0 biogenic,in-vitro CDABMO CC[NH+]1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 ZINC000054484293 367407296 /nfs/dbraw/zinc/40/72/96/367407296.db2.gz GTXPJKYFWIPYPP-UHFFFAOYSA-N 1 1 278.400 1.134 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nnc(C)o3)C2)CC1 ZINC000049169271 373982111 /nfs/dbraw/zinc/98/21/11/373982111.db2.gz IEWOUWUMKMQQRV-LBPRGKRZSA-N 1 1 278.356 1.178 40 0 biogenic,in-vitro CDABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](C(C)C)C2 ZINC000225494914 374549525 /nfs/dbraw/zinc/54/95/25/374549525.db2.gz CFCVXLIHNHSCMH-AWEZNQCLSA-N 1 1 263.385 1.801 40 0 biogenic,in-vitro CDABMO COC[C@H]1CC[N@@H+](C)C2(CN(C(=O)CCC(C)C)C2)C1 ZINC000306137940 374969619 /nfs/dbraw/zinc/96/96/19/374969619.db2.gz RKMZJADLJRRLOL-AWEZNQCLSA-N 1 1 282.428 1.992 40 0 CDABMO COC[C@H]1CC[N@@H+](C)C2(CN(Cc3cccc(C)n3)C2)C1 ZINC000306141768 374971538 /nfs/dbraw/zinc/97/15/38/374971538.db2.gz WFZJCHNYGFRGJE-HNNXBMFYSA-N 1 1 289.423 1.933 40 0 CDABMO CC(C)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000056997130 375391188 /nfs/dbraw/zinc/39/11/88/375391188.db2.gz AJDHOBIEIHZWLK-UHFFFAOYSA-N 1 1 275.396 1.581 40 0 CDABMO c1ccc(CN2C[C@@H]3C[NH2+]C4(CCOCC4)[C@@H]3C2)cc1 ZINC000257202049 190010459 /nfs/dbraw/zinc/01/04/59/190010459.db2.gz AKGCSQFTEHYNIJ-JKSUJKDBSA-N 1 1 272.392 1.887 40 0 CDABMO Cc1c[nH]c([C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257234151 190017291 /nfs/dbraw/zinc/01/72/91/190017291.db2.gz GSJZNCOUPSKECB-LBPRGKRZSA-N 1 1 262.357 1.130 40 0 CDABMO CC(C)[N@H+]1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000257279629 190025715 /nfs/dbraw/zinc/02/57/15/190025715.db2.gz OHMCFNISVKVTDR-GJZGRUSLSA-N 1 1 274.364 1.507 40 0 CDABMO CNc1nccnc1C[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000257281712 190026162 /nfs/dbraw/zinc/02/61/62/190026162.db2.gz OQPXWUIKEXJUHA-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1nccnc1C[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000257281712 190026163 /nfs/dbraw/zinc/02/61/63/190026163.db2.gz OQPXWUIKEXJUHA-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO CN(C)c1ncc(C[NH+]2CCC(c3cnccn3)CC2)cn1 ZINC000257272889 190025025 /nfs/dbraw/zinc/02/50/25/190025025.db2.gz NEFXNIYXCBHPPN-UHFFFAOYSA-N 1 1 298.394 1.712 40 0 CDABMO Cn1cc(C(=O)N2CCC[C@@]3(C)[C@H]2CCC[N@H+]3C)cn1 ZINC000257311515 190031868 /nfs/dbraw/zinc/03/18/68/190031868.db2.gz UJWILLYVHJRPLJ-HIFRSBDPSA-N 1 1 276.384 1.509 40 0 CDABMO C[N@@H+]1CCN(C(=O)c2cccc(=O)[nH]2)C[C@H]1c1ccccc1 ZINC000257329278 190034577 /nfs/dbraw/zinc/03/45/77/190034577.db2.gz XJEFTJCJVBYIKD-HNNXBMFYSA-N 1 1 297.358 1.916 40 0 CDABMO C[N@H+]1CCN(C(=O)c2cccc(=O)[nH]2)C[C@H]1c1ccccc1 ZINC000257329278 190034578 /nfs/dbraw/zinc/03/45/78/190034578.db2.gz XJEFTJCJVBYIKD-HNNXBMFYSA-N 1 1 297.358 1.916 40 0 CDABMO CCN1CCC([N@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257331857 190035475 /nfs/dbraw/zinc/03/54/75/190035475.db2.gz XUOQPVZQBYEZEG-CYBMUJFWSA-N 1 1 262.401 1.992 40 0 CDABMO CC(=O)N1CC[C@@]2(CC[N@H+](Cc3cc(C)on3)C2)C1 ZINC000063527622 378303531 /nfs/dbraw/zinc/30/35/31/378303531.db2.gz KUFGTZONRUNIJT-CQSZACIVSA-N 1 1 263.341 1.427 40 0 CDABMO CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cc(C)on3)C2)C1 ZINC000063527622 378303539 /nfs/dbraw/zinc/30/35/39/378303539.db2.gz KUFGTZONRUNIJT-CQSZACIVSA-N 1 1 263.341 1.427 40 0 CDABMO CCC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019498764 390228271 /nfs/dbraw/zinc/22/82/71/390228271.db2.gz RRSLORZVGJFWST-LBPRGKRZSA-N 1 1 288.395 1.581 40 0 CDABMO CCOCC(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096075231 286021434 /nfs/dbraw/zinc/02/14/34/286021434.db2.gz IAOZOBKYXOAUCK-UHFFFAOYSA-N 1 1 280.412 1.890 40 0 CDABMO C[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000022585596 171392681 /nfs/dbraw/zinc/39/26/81/171392681.db2.gz HUGRQMCOTCMGEM-UHFFFAOYSA-N 1 1 251.305 1.012 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cc(CO)[nH]n3)C2)cn1 ZINC000072364266 176378834 /nfs/dbraw/zinc/37/88/34/176378834.db2.gz DWXYLJNPBQLQRD-GFCCVEGCSA-N 1 1 275.356 1.015 40 0 CDABMO Cn1cc(C[N@@H+]2CCC[C@@H](c3cc(CO)n[nH]3)C2)cn1 ZINC000072364266 176378836 /nfs/dbraw/zinc/37/88/36/176378836.db2.gz DWXYLJNPBQLQRD-GFCCVEGCSA-N 1 1 275.356 1.015 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cc(CO)n[nH]3)C2)cn1 ZINC000072364266 176378837 /nfs/dbraw/zinc/37/88/37/176378837.db2.gz DWXYLJNPBQLQRD-GFCCVEGCSA-N 1 1 275.356 1.015 40 0 CDABMO C[N@@H+]1CCC[C@@H]1c1cncc(C(=O)NCC2CC2)n1 ZINC000072369320 176383916 /nfs/dbraw/zinc/38/39/16/176383916.db2.gz LRKLBZRCKFGJTH-CYBMUJFWSA-N 1 1 260.341 1.383 40 0 CDABMO C[N@H+]1CCC[C@@H]1c1cncc(C(=O)NCC2CC2)n1 ZINC000072369320 176383917 /nfs/dbraw/zinc/38/39/17/176383917.db2.gz LRKLBZRCKFGJTH-CYBMUJFWSA-N 1 1 260.341 1.383 40 0 CDABMO CNc1ccc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)nc1 ZINC000072387995 176393283 /nfs/dbraw/zinc/39/32/83/176393283.db2.gz UQQKSSWDZZYMPP-HNNXBMFYSA-N 1 1 277.368 1.676 40 0 CDABMO CNc1ccc([C@@H]2C[N@H+](C3CCOCC3)CCO2)nc1 ZINC000072387995 176393284 /nfs/dbraw/zinc/39/32/84/176393284.db2.gz UQQKSSWDZZYMPP-HNNXBMFYSA-N 1 1 277.368 1.676 40 0 CDABMO COc1ccc(OC)c2c(NCC[NH3+])cc(C)nc12 ZINC000222691323 274115576 /nfs/dbraw/zinc/11/55/76/274115576.db2.gz ODQJTYDABZOTEN-UHFFFAOYSA-N 1 1 261.325 1.931 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000012113714 282007029 /nfs/dbraw/zinc/00/70/29/282007029.db2.gz IUMGZSABJPDHAT-UHFFFAOYSA-N 1 1 273.311 1.776 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000012113714 282007034 /nfs/dbraw/zinc/00/70/34/282007034.db2.gz IUMGZSABJPDHAT-UHFFFAOYSA-N 1 1 273.311 1.776 40 0 CDABMO C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C[C@H]1n1ccnc1 ZINC000247354621 524522821 /nfs/dbraw/zinc/52/28/21/524522821.db2.gz HDCYVZHEHHPOQK-FVQBIDKESA-N 1 1 298.390 1.993 40 0 CDABMO O=C(c1cnccn1)N1CC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC000096054161 185075355 /nfs/dbraw/zinc/07/53/55/185075355.db2.gz ZQTWZMODOSHTAB-ZIAGYGMSSA-N 1 1 286.379 1.281 40 0 CDABMO CC(C)N1CCO[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000096054281 185076076 /nfs/dbraw/zinc/07/60/76/185076076.db2.gz DBNMLASVENHRQV-CABCVRRESA-N 1 1 261.369 1.375 40 0 CDABMO CC(C)N1CCO[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000096054281 185076077 /nfs/dbraw/zinc/07/60/77/185076077.db2.gz DBNMLASVENHRQV-CABCVRRESA-N 1 1 261.369 1.375 40 0 CDABMO CC(C)[N@@H+]1CCO[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000096054281 185076078 /nfs/dbraw/zinc/07/60/78/185076078.db2.gz DBNMLASVENHRQV-CABCVRRESA-N 1 1 261.369 1.375 40 0 CDABMO CC(C)[N@H+]1CCO[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000096054281 185076079 /nfs/dbraw/zinc/07/60/79/185076079.db2.gz DBNMLASVENHRQV-CABCVRRESA-N 1 1 261.369 1.375 40 0 CDABMO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CCC1 ZINC000096065773 185084296 /nfs/dbraw/zinc/08/42/96/185084296.db2.gz GZELJUBROIOZJS-SQWLQELKSA-N 1 1 296.411 1.123 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccco1)CC[C@H]2OC ZINC000096108538 185100268 /nfs/dbraw/zinc/10/02/68/185100268.db2.gz FLVLWTGXBFKMMN-RRFJBIMHSA-N 1 1 292.379 1.390 40 0 CDABMO COC[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1F)C2 ZINC000096108638 185100402 /nfs/dbraw/zinc/10/04/02/185100402.db2.gz NUQPISWYLSFZRV-UKRRQHHQSA-N 1 1 265.328 1.921 40 0 CDABMO C[N@H+]1C[C@@H](CO)CC12CN(C(=O)c1ccc(Cl)cc1)C2 ZINC000585093731 342211297 /nfs/dbraw/zinc/21/12/97/342211297.db2.gz ATSHEWOGIFPEII-NSHDSACASA-N 1 1 294.782 1.479 40 0 CDABMO c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)cc1 ZINC000096248889 136519700 /nfs/dbraw/zinc/51/97/00/136519700.db2.gz QBDYPZPVHKZRBQ-CVEARBPZSA-N 1 1 296.374 1.566 40 0 CDABMO CC(C)NC(=O)C[C@H]1[C@H]2C[N@H+](Cc3ccco3)C[C@@H]12 ZINC000107745844 186189442 /nfs/dbraw/zinc/18/94/42/186189442.db2.gz RZKASGRFIZPQBV-BTTYYORXSA-N 1 1 262.353 1.872 40 0 CDABMO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3cccc(C)n3)C[C@@H]21 ZINC000108526030 186220432 /nfs/dbraw/zinc/22/04/32/186220432.db2.gz ATUSGTZTALMZQG-HOTGVXAUSA-N 1 1 289.379 1.212 40 0 CDABMO COCCN1CCO[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000108530497 186222526 /nfs/dbraw/zinc/22/25/26/186222526.db2.gz COMIAPAOKXDQDH-HOTGVXAUSA-N 1 1 291.395 1.003 40 0 CDABMO CN(C)C(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1cncn1C)C2 ZINC000108534656 186222548 /nfs/dbraw/zinc/22/25/48/186222548.db2.gz CYBPQFWXZUCNMS-GDBMZVCRSA-N 1 1 290.411 1.501 40 0 CDABMO COC[C@H]1CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000062160967 363033179 /nfs/dbraw/zinc/03/31/79/363033179.db2.gz KTSHRPVHWAMLBO-LBPRGKRZSA-N 1 1 266.341 1.254 40 0 CDABMO Cc1nn(C)c(C)c1CCNC(=O)C[C@@H]1CCCC[N@H+]1C ZINC000019655679 356494104 /nfs/dbraw/zinc/49/41/04/356494104.db2.gz UVETWUPFHYBGEU-AWEZNQCLSA-N 1 1 292.427 1.570 40 0 CDABMO CC(C)[N@@H+](CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393526 356989585 /nfs/dbraw/zinc/98/95/85/356989585.db2.gz VCXQSAHZUMWOIS-INIZCTEOSA-N 1 1 262.397 1.964 40 0 CDABMO CN(C[C@H]1CCC[N@@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407913 356991134 /nfs/dbraw/zinc/99/11/34/356991134.db2.gz FJCKMBBHVDETNU-GFCCVEGCSA-N 1 1 272.389 1.558 40 0 CDABMO NC(=O)[C@@]1(c2cnccn2)CCC[N@H+]1CC1CCCCC1 ZINC000257234043 283340813 /nfs/dbraw/zinc/34/08/13/283340813.db2.gz GRWBQBGTWJGDCR-INIZCTEOSA-N 1 1 288.395 1.833 40 0 CDABMO c1cnc(N2CCC[C@]3(C2)C[N@@H+](CC2CC2)CCO3)cn1 ZINC000096049172 358706181 /nfs/dbraw/zinc/70/61/81/358706181.db2.gz AAGKATQPSPHTCY-MRXNPFEDSA-N 1 1 288.395 1.558 40 0 CDABMO CN(C)[C@H]1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000062963770 358761625 /nfs/dbraw/zinc/76/16/25/358761625.db2.gz MXLASISLCBSLFY-LBPRGKRZSA-N 1 1 294.374 1.372 40 0 CDABMO CN(C)[C@H]1CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000062963770 358761628 /nfs/dbraw/zinc/76/16/28/358761628.db2.gz MXLASISLCBSLFY-LBPRGKRZSA-N 1 1 294.374 1.372 40 0 CDABMO c1cnc(N2C[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]3C2)nc1 ZINC000096054018 358707281 /nfs/dbraw/zinc/70/72/81/358707281.db2.gz JCEFMOZUTBFHNW-GASCZTMLSA-N 1 1 288.395 1.271 40 0 CDABMO c1coc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nncs2)c1 ZINC000096184877 358714016 /nfs/dbraw/zinc/71/40/16/358714016.db2.gz WCJCRIMXZUAVNX-NEPJUHHUSA-N 1 1 276.365 1.984 40 0 CDABMO CCOC[C@H]1C[N@H+](Cc2cccnc2)Cc2cn(C)nc21 ZINC000096197986 358717423 /nfs/dbraw/zinc/71/74/23/358717423.db2.gz YSPGPXPEEFOQDW-OAHLLOKOSA-N 1 1 286.379 1.951 40 0 CDABMO CCOC[C@H]1C[N@@H+](Cc2cccnc2)Cc2cn(C)nc21 ZINC000096197986 358717425 /nfs/dbraw/zinc/71/74/25/358717425.db2.gz YSPGPXPEEFOQDW-OAHLLOKOSA-N 1 1 286.379 1.951 40 0 CDABMO O=C(c1ccco1)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000096246059 358725849 /nfs/dbraw/zinc/72/58/49/358725849.db2.gz YDUSOOHFWLWEON-HZSPNIEDSA-N 1 1 290.363 1.462 40 0 CDABMO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@H]21 ZINC000096249493 358726525 /nfs/dbraw/zinc/72/65/25/358726525.db2.gz JEBNGVPJHDYRET-HUUCEWRRSA-N 1 1 277.368 1.226 40 0 CDABMO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](CC3CC3)[C@@H]2C1 ZINC000096251670 358726907 /nfs/dbraw/zinc/72/69/07/358726907.db2.gz CTNWJIPVUFUUNU-BFHYXJOUSA-N 1 1 266.385 1.400 40 0 CDABMO CCOc1ncnc2c1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096255623 358728884 /nfs/dbraw/zinc/72/88/84/358728884.db2.gz SGRRXIQNHOUGRS-GFCCVEGCSA-N 1 1 277.368 1.312 40 0 CDABMO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@H]2CCOC2)nc1 ZINC000107200760 359016669 /nfs/dbraw/zinc/01/66/69/359016669.db2.gz SZIXKWICPMXPSQ-MCIONIFRSA-N 1 1 274.368 1.166 40 0 CDABMO C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000305212682 364891160 /nfs/dbraw/zinc/89/11/60/364891160.db2.gz HMOSRHFGTRUENM-BBRMVZONSA-N 1 1 294.395 1.078 40 0 CDABMO Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](n3ccnn3)C2)o1 ZINC000333418538 205303735 /nfs/dbraw/zinc/30/37/35/205303735.db2.gz RGQKYYMNOYIGTR-RYUDHWBXSA-N 1 1 261.329 1.973 40 0 CDABMO Cc1cnc([C@H](C)[N@H+]2CCC[C@H](n3ccnn3)C2)o1 ZINC000333418538 205303738 /nfs/dbraw/zinc/30/37/38/205303738.db2.gz RGQKYYMNOYIGTR-RYUDHWBXSA-N 1 1 261.329 1.973 40 0 CDABMO Cn1cncc1-c1nnc([C@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000049170505 373981389 /nfs/dbraw/zinc/98/13/89/373981389.db2.gz OKLXFPOUCPWEGC-NSHDSACASA-N 1 1 273.340 1.669 40 0 biogenic,in-vitro CDABMO C[N@H+]1CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1 ZINC000306126859 374968409 /nfs/dbraw/zinc/96/84/09/374968409.db2.gz FHFKWOQIFGGNDT-CHWSQXEVSA-N 1 1 284.356 1.293 40 0 CDABMO CCn1nccc1C[NH2+]Cc1c(C)nn(CC)c1F ZINC000256054494 190005617 /nfs/dbraw/zinc/00/56/17/190005617.db2.gz WOEVQURFNXCKLM-UHFFFAOYSA-N 1 1 265.336 1.857 40 0 CDABMO Cc1cc(C[C@H]2COCC[N@@H+](Cc3ccccn3)C2)ncn1 ZINC000257217831 190013745 /nfs/dbraw/zinc/01/37/45/190013745.db2.gz DAUNPNUBLPNAQS-OAHLLOKOSA-N 1 1 298.390 1.871 40 0 CDABMO C[C@@]1(C(N)=O)C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000257243213 190018193 /nfs/dbraw/zinc/01/81/93/190018193.db2.gz IFXLGDGWDQOIRJ-INIZCTEOSA-N 1 1 285.347 1.311 40 0 CDABMO C[C@@]1(C(N)=O)C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000257243213 190018194 /nfs/dbraw/zinc/01/81/94/190018194.db2.gz IFXLGDGWDQOIRJ-INIZCTEOSA-N 1 1 285.347 1.311 40 0 CDABMO C[N@H+]1CCC[C@H]1c1ccnc(C(=O)NCc2ccnnc2)c1 ZINC000257248902 190020065 /nfs/dbraw/zinc/02/00/65/190020065.db2.gz JFTKQGNVYYAWOX-HNNXBMFYSA-N 1 1 297.362 1.568 40 0 CDABMO C[N@H+]1CCCCC[C@@H]2N(S(C)(=O)=O)CC[C@@]21C ZINC000257270279 190023705 /nfs/dbraw/zinc/02/37/05/190023705.db2.gz MTMZIIOJKSDOQL-RYUDHWBXSA-N 1 1 260.403 1.285 40 0 CDABMO Cc1cncc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257271761 190023751 /nfs/dbraw/zinc/02/37/51/190023751.db2.gz MZRWSBTXEHRDFM-CQSZACIVSA-N 1 1 288.395 1.587 40 0 CDABMO Cc1cncc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257271761 190023752 /nfs/dbraw/zinc/02/37/52/190023752.db2.gz MZRWSBTXEHRDFM-CQSZACIVSA-N 1 1 288.395 1.587 40 0 CDABMO Cn1cncc1CN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257269747 190023911 /nfs/dbraw/zinc/02/39/11/190023911.db2.gz MRFFANLYMPYQSX-MRXNPFEDSA-N 1 1 270.380 1.909 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000257326861 190034819 /nfs/dbraw/zinc/03/48/19/190034819.db2.gz WYXZTKREYNWUPJ-GFCCVEGCSA-N 1 1 262.357 1.210 40 0 CDABMO CC(=O)N1CCC([N@@H+]2CC[C@@H](c3ccn[nH]3)C2)CC1 ZINC000257326861 190034820 /nfs/dbraw/zinc/03/48/20/190034820.db2.gz WYXZTKREYNWUPJ-GFCCVEGCSA-N 1 1 262.357 1.210 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@@H](c3ccn[nH]3)C2)CC1 ZINC000257326861 190034821 /nfs/dbraw/zinc/03/48/21/190034821.db2.gz WYXZTKREYNWUPJ-GFCCVEGCSA-N 1 1 262.357 1.210 40 0 CDABMO COCCNC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1C ZINC000257289561 285073073 /nfs/dbraw/zinc/07/30/73/285073073.db2.gz PZFCOCGVNSKOEI-MRXNPFEDSA-N 1 1 276.380 1.456 40 0 CDABMO O=C1C[C@]2(CC[N@@H+](CC3CC3)C2)CN1c1cccnc1 ZINC000096239129 256829427 /nfs/dbraw/zinc/82/94/27/256829427.db2.gz VDVMXJYPNRJPQQ-INIZCTEOSA-N 1 1 271.364 1.920 40 0 CDABMO CN(C)C[C@@H]1C[C@@H]2CN(c3ncc(F)cn3)CC[C@@H]2[N@H+]1C ZINC000107202873 390569501 /nfs/dbraw/zinc/56/95/01/390569501.db2.gz SVWAGUMOZGYIAE-XBFCOCLRSA-N 1 1 293.390 1.076 40 0 CDABMO CN1[C@H](C[NH+](C)C)C[C@@H]2CN(c3ncc(F)cn3)CC[C@@H]21 ZINC000107202873 390569506 /nfs/dbraw/zinc/56/95/06/390569506.db2.gz SVWAGUMOZGYIAE-XBFCOCLRSA-N 1 1 293.390 1.076 40 0 CDABMO CC[N@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216274 390621383 /nfs/dbraw/zinc/62/13/83/390621383.db2.gz GYWQMIDYYSJOCB-AWEZNQCLSA-N 1 1 260.385 1.648 40 0 CDABMO CC(C)C(=O)N1CCC2(CCC[N@H+]2CCN(C)C)CC1 ZINC000096075242 398069618 /nfs/dbraw/zinc/06/96/18/398069618.db2.gz RTYQCCNYCLFNEY-UHFFFAOYSA-N 1 1 281.444 1.661 40 0 CDABMO C[N@@H+](CCO)CCC[C@@H]1COc2ccccc2O1 ZINC000005854302 170147535 /nfs/dbraw/zinc/14/75/35/170147535.db2.gz PARIMXMLMWNNGN-GFCCVEGCSA-N 1 1 251.326 1.531 40 0 CDABMO Cc1ccnc(NC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000022270304 171383324 /nfs/dbraw/zinc/38/33/24/171383324.db2.gz PDEWHENTQWYIAE-UHFFFAOYSA-N 1 1 294.424 1.399 40 0 CDABMO CC(C)N(C(=O)[C@@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000022585818 171393246 /nfs/dbraw/zinc/39/32/46/171393246.db2.gz OSMSMJMDMSZFOZ-CYBMUJFWSA-N 1 1 255.406 1.268 40 0 CDABMO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[NH2+]2)n[nH]1 ZINC000072348359 176373196 /nfs/dbraw/zinc/37/31/96/176373196.db2.gz IZAWHIVIISOUDZ-NSHDSACASA-N 1 1 262.357 1.897 40 0 CDABMO c1cn(-c2cncc([C@H]3CCC[N@H+]3C3CCOCC3)n2)cn1 ZINC000072355619 176374768 /nfs/dbraw/zinc/37/47/68/176374768.db2.gz NSEAICKWZIWNCP-OAHLLOKOSA-N 1 1 299.378 1.978 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccsc1 ZINC000072397589 176394833 /nfs/dbraw/zinc/39/48/33/176394833.db2.gz IWGCWUJJYLIYCP-WCFLWFBJSA-N 1 1 252.383 1.387 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(F)cc1F ZINC000072397665 176395237 /nfs/dbraw/zinc/39/52/37/176395237.db2.gz VJVHQBVGMRIQIJ-DDTOSNHZSA-N 1 1 282.334 1.604 40 0 CDABMO CSCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cnn(C)c1 ZINC000072398431 176396587 /nfs/dbraw/zinc/39/65/87/176396587.db2.gz RNARPGAFBMOIKB-GJZGRUSLSA-N 1 1 294.468 1.822 40 0 CDABMO CCn1nccc1-c1cnc(C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000257322742 262746033 /nfs/dbraw/zinc/74/60/33/262746033.db2.gz WHEUYIYEKZHEQK-LBPRGKRZSA-N 1 1 271.368 1.854 40 0 CDABMO C[NH+]1CCN(c2nc3ccccc3[nH]c2=S)CC1 ZINC000035655327 273900801 /nfs/dbraw/zinc/90/08/01/273900801.db2.gz XQTIUCJZSMPUTN-UHFFFAOYSA-N 1 1 260.366 1.670 40 0 CDABMO C[NH+]1CCC(C(=O)N2CCNC[C@H]2c2ccccc2)CC1 ZINC000257318082 277024302 /nfs/dbraw/zinc/02/43/02/277024302.db2.gz VMLFTHBYLOWNTJ-INIZCTEOSA-N 1 1 287.407 1.501 40 0 CDABMO C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCC(=O)[O-] ZINC000062718610 327915732 /nfs/dbraw/zinc/91/57/32/327915732.db2.gz STQIPDAJONCFAV-UHFFFAOYSA-N 1 1 286.759 1.503 40 0 CDABMO NC(=O)C[C@@H]1COCC[N@H+]1CC1CCC2(CC2)CC1 ZINC000930674325 777008901 /nfs/dbraw/zinc/00/89/01/777008901.db2.gz DTDJFSDKSBZOIK-CYBMUJFWSA-N 1 1 266.385 1.533 40 0 CDABMO O=C(N1CCCO1)[C@@]12CCO[C@@H]1CC[N@@H+](CC1CC1)C2 ZINC000096038841 185069182 /nfs/dbraw/zinc/06/91/82/185069182.db2.gz IJNMUULMZWWNTE-UKRRQHHQSA-N 1 1 280.368 1.041 40 0 CDABMO COCC[N@H+]1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039925 185069365 /nfs/dbraw/zinc/06/93/65/185069365.db2.gz QASASMSFTLZCOM-JKSUJKDBSA-N 1 1 283.412 1.931 40 0 CDABMO CCO[C@@H]1C[N@H+](Cc2cccnc2OC)[C@@H]2CCCO[C@H]12 ZINC000096042338 185070512 /nfs/dbraw/zinc/07/05/12/185070512.db2.gz GRVBFHJHYYKYSC-KFWWJZLASA-N 1 1 292.379 1.859 40 0 CDABMO CCO[C@@H]1C[N@@H+](Cc2cccnc2OC)[C@@H]2CCCO[C@H]12 ZINC000096042338 185070513 /nfs/dbraw/zinc/07/05/13/185070513.db2.gz GRVBFHJHYYKYSC-KFWWJZLASA-N 1 1 292.379 1.859 40 0 CDABMO c1cncc(CO[C@@H]2C[C@@H]3C[N@@H+](CC4CC4)CCN3C2)c1 ZINC000096055047 185076815 /nfs/dbraw/zinc/07/68/15/185076815.db2.gz YRLXUVSHVKUPFH-IAGOWNOFSA-N 1 1 287.407 1.767 40 0 CDABMO c1cncc(CO[C@@H]2C[C@@H]3CN(CC4CC4)CC[N@@H+]3C2)c1 ZINC000096055047 185076816 /nfs/dbraw/zinc/07/68/16/185076816.db2.gz YRLXUVSHVKUPFH-IAGOWNOFSA-N 1 1 287.407 1.767 40 0 CDABMO c1cncc(CO[C@@H]2C[C@@H]3CN(CC4CC4)CC[N@H+]3C2)c1 ZINC000096055047 185076817 /nfs/dbraw/zinc/07/68/17/185076817.db2.gz YRLXUVSHVKUPFH-IAGOWNOFSA-N 1 1 287.407 1.767 40 0 CDABMO C[C@@H]1c2ncc(Cn3cncn3)n2CC[N@H+]1CC1CC1 ZINC000096062114 185082961 /nfs/dbraw/zinc/08/29/61/185082961.db2.gz DRUVPUUSWSGOGZ-LLVKDONJSA-N 1 1 272.356 1.310 40 0 CDABMO C[C@@H]1c2ncc(Cn3cncn3)n2CC[N@@H+]1CC1CC1 ZINC000096062114 185082962 /nfs/dbraw/zinc/08/29/62/185082962.db2.gz DRUVPUUSWSGOGZ-LLVKDONJSA-N 1 1 272.356 1.310 40 0 CDABMO CC[N@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096065831 185084325 /nfs/dbraw/zinc/08/43/25/185084325.db2.gz IBNCFGVQXJTCKB-RRFJBIMHSA-N 1 1 262.353 1.850 40 0 CDABMO COCc1nnc2n1CC[N@@H+](CC1CCCC1)[C@@H]2C ZINC000585097604 342211536 /nfs/dbraw/zinc/21/15/36/342211536.db2.gz NJWKNHYEZVZNJO-LLVKDONJSA-N 1 1 264.373 1.991 40 0 CDABMO COCc1nnc2n1CC[N@H+](CC1CCCC1)[C@@H]2C ZINC000585097604 342211537 /nfs/dbraw/zinc/21/15/37/342211537.db2.gz NJWKNHYEZVZNJO-LLVKDONJSA-N 1 1 264.373 1.991 40 0 CDABMO c1cc2n(n1)CC[C@@H](COc1ncccn1)[N@H+](C1CCC1)C2 ZINC000585098617 342212096 /nfs/dbraw/zinc/21/20/96/342212096.db2.gz ZRRDJHUDZJGRPM-HNNXBMFYSA-N 1 1 299.378 1.879 40 0 CDABMO C[N@H+]1C[C@H]2C[C@@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000247961358 362140473 /nfs/dbraw/zinc/14/04/73/362140473.db2.gz FGAASFNDKBLSEO-MGPQQGTHSA-N 1 1 260.337 1.022 40 0 CDABMO CCS(=O)(=O)N[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257222794 362578231 /nfs/dbraw/zinc/57/82/31/362578231.db2.gz DUSHGTYEQBRBAC-GFCCVEGCSA-N 1 1 283.397 1.298 40 0 CDABMO CC(C)[N@H+]1CCN2C(=O)N(c3ccccn3)C[C@H]2C1 ZINC000085436162 179062853 /nfs/dbraw/zinc/06/28/53/179062853.db2.gz SHXHBWDYWUTQEH-GFCCVEGCSA-N 1 1 260.341 1.416 40 0 biogenic,in-vitro CDABMO c1nc(NC2CC2)cc(N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000413053581 362752208 /nfs/dbraw/zinc/75/22/08/362752208.db2.gz NXOUYKDDFGPVBH-CYBMUJFWSA-N 1 1 273.384 1.725 40 0 CDABMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H](C)Cc1ccccc1 ZINC000170084906 362845964 /nfs/dbraw/zinc/84/59/64/362845964.db2.gz KKEDREBDTMFYQW-SNPRPXQTSA-N 1 1 277.364 1.473 40 0 CDABMO COC(=O)[C@@H]([NH3+])Cc1ccc(Br)c(F)c1 ZINC000157780478 347477896 /nfs/dbraw/zinc/47/78/96/347477896.db2.gz AIXQSNPNFRAJAI-VIFPVBQESA-N 1 1 276.105 1.631 40 0 CDABMO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3C(C)C)n1 ZINC000107251509 186164863 /nfs/dbraw/zinc/16/48/63/186164863.db2.gz ZMQNNQXKYCQABV-LSDHHAIUSA-N 1 1 273.380 1.974 40 0 CDABMO Cc1nc(CN2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)c[nH]1 ZINC000108527710 186220674 /nfs/dbraw/zinc/22/06/74/186220674.db2.gz KMCMRYHXOACQNJ-HOTGVXAUSA-N 1 1 290.411 1.403 40 0 CDABMO CCc1[nH+]ccn1CC(=O)NC[C@H](C)n1nc(C)cc1C ZINC000019523524 356489286 /nfs/dbraw/zinc/48/92/86/356489286.db2.gz NALHAGKFGUPMBS-ZDUSSCGKSA-N 1 1 289.383 1.636 40 0 CDABMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](C(=O)NC2CCCC2)C1 ZINC000019747828 356499147 /nfs/dbraw/zinc/49/91/47/356499147.db2.gz XDBBLMJVEAPQEX-CYBMUJFWSA-N 1 1 290.411 1.609 40 0 CDABMO C[N@H+](CCN)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391749 356988601 /nfs/dbraw/zinc/98/86/01/356988601.db2.gz VWKDDECMTYMZOW-UHFFFAOYSA-N 1 1 291.395 1.678 40 0 CDABMO C[N@@H+](CCN)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391749 356988605 /nfs/dbraw/zinc/98/86/05/356988605.db2.gz VWKDDECMTYMZOW-UHFFFAOYSA-N 1 1 291.395 1.678 40 0 CDABMO CN(C[C@@H]1CCCC[N@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407903 356990835 /nfs/dbraw/zinc/99/08/35/356990835.db2.gz HIYGROAJCLIOHS-LBPRGKRZSA-N 1 1 272.389 1.700 40 0 CDABMO CN(C[C@@H]1CC[N@@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407877 356991016 /nfs/dbraw/zinc/99/10/16/356991016.db2.gz IJSLDRLGZISIDT-NSHDSACASA-N 1 1 258.362 1.168 40 0 CDABMO NCC(=O)N(C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404289 356991287 /nfs/dbraw/zinc/99/12/87/356991287.db2.gz DTSKFXCOMNUXNM-OAHLLOKOSA-N 1 1 273.380 1.211 40 0 CDABMO NCC(=O)N(C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404289 356991291 /nfs/dbraw/zinc/99/12/91/356991291.db2.gz DTSKFXCOMNUXNM-OAHLLOKOSA-N 1 1 273.380 1.211 40 0 CDABMO OCCN1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414346 356993552 /nfs/dbraw/zinc/99/35/52/356993552.db2.gz YMRUNCIESDOUHQ-INIZCTEOSA-N 1 1 260.381 1.718 40 0 CDABMO OCC[N@@H+]1CC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC000079414346 356993556 /nfs/dbraw/zinc/99/35/56/356993556.db2.gz YMRUNCIESDOUHQ-INIZCTEOSA-N 1 1 260.381 1.718 40 0 CDABMO OCC[N@H+]1CC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC000079414346 356993558 /nfs/dbraw/zinc/99/35/58/356993558.db2.gz YMRUNCIESDOUHQ-INIZCTEOSA-N 1 1 260.381 1.718 40 0 CDABMO Cc1cccc(OCC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000047465924 357157852 /nfs/dbraw/zinc/15/78/52/357157852.db2.gz VZQOUESWXGLUSC-UHFFFAOYSA-N 1 1 292.379 1.212 40 0 CDABMO COC[C@@H]1C[N@@H+](C)C2(CN(C(=O)c3ccc(C)cn3)C2)C1 ZINC000585093945 358099013 /nfs/dbraw/zinc/09/90/13/358099013.db2.gz RQRFSCRROXCTEL-ZDUSSCGKSA-N 1 1 289.379 1.183 40 0 CDABMO O=C(c1ccco1)N1CC2(C1)C[C@@H](CO)C[N@H+]2CC1CC1 ZINC000585093964 358099140 /nfs/dbraw/zinc/09/91/40/358099140.db2.gz UFBUJTNDLZUMFP-CYBMUJFWSA-N 1 1 290.363 1.198 40 0 CDABMO CC(C)[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)C1CCOCC1 ZINC000072685601 358564161 /nfs/dbraw/zinc/56/41/61/358564161.db2.gz QMOAVJOSEMEHCD-ZIAGYGMSSA-N 1 1 298.427 1.512 40 0 CDABMO O=C(C[C@@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@H]21)N1CCCC1 ZINC000096219242 358722400 /nfs/dbraw/zinc/72/24/00/358722400.db2.gz ZSWGPITWVOLWCM-BMFZPTHFSA-N 1 1 292.423 1.888 40 0 CDABMO CC[N@H+]1CCOC[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1 ZINC000096229353 358723562 /nfs/dbraw/zinc/72/35/62/358723562.db2.gz MFGDVESIWVXWKU-INIZCTEOSA-N 1 1 292.427 1.354 40 0 CDABMO O=C1C[C@]2(CC[N@@H+](Cc3ccco3)C2)CN1c1cncnc1 ZINC000096239197 358724570 /nfs/dbraw/zinc/72/45/70/358724570.db2.gz KMCQCUIYLRBJCF-INIZCTEOSA-N 1 1 298.346 1.699 40 0 CDABMO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH+]1CCOCC1 ZINC000033883381 360514608 /nfs/dbraw/zinc/51/46/08/360514608.db2.gz FHHGKBRAWKGWJG-ARFHVFGLSA-N 1 1 277.364 1.680 40 0 CDABMO O[C@H]1CC[N@@H+]2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1 ZINC000169657859 365042972 /nfs/dbraw/zinc/04/29/72/365042972.db2.gz MMXKVQSOWVEFOB-YYFQZIEXSA-N 1 1 250.386 1.316 40 0 CDABMO O[C@H]1CC[N@H+]2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1 ZINC000169657859 365042982 /nfs/dbraw/zinc/04/29/82/365042982.db2.gz MMXKVQSOWVEFOB-YYFQZIEXSA-N 1 1 250.386 1.316 40 0 CDABMO CC[N@H+](CC(N)=O)CC1CCN(c2ccccn2)CC1 ZINC000076108874 366983449 /nfs/dbraw/zinc/98/34/49/366983449.db2.gz RISXJRIMRWXIGS-UHFFFAOYSA-N 1 1 276.384 1.105 40 0 CDABMO COc1cccc(C[NH+]2CC(c3nc(C)no3)C2)c1OC ZINC000049482527 374001897 /nfs/dbraw/zinc/00/18/97/374001897.db2.gz DFRKVRYUZBHRKR-UHFFFAOYSA-N 1 1 289.335 1.995 40 0 CDABMO COC(=O)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000079310093 374147531 /nfs/dbraw/zinc/14/75/31/374147531.db2.gz FYVZEKKLXOVBBT-GFCCVEGCSA-N 1 1 278.352 1.186 40 0 CDABMO COC(=O)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000079310093 374147536 /nfs/dbraw/zinc/14/75/36/374147536.db2.gz FYVZEKKLXOVBBT-GFCCVEGCSA-N 1 1 278.352 1.186 40 0 CDABMO Cc1nnc(N2CC[NH+](C[C@H]3CCC=CO3)CC2)nc1C ZINC000225586518 375166642 /nfs/dbraw/zinc/16/66/42/375166642.db2.gz GZAKYIXGALLMSH-CQSZACIVSA-N 1 1 289.383 1.303 40 0 CDABMO CCCn1nccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000256050070 190003077 /nfs/dbraw/zinc/00/30/77/190003077.db2.gz CNBOMEBAYUJSRO-UHFFFAOYSA-N 1 1 265.336 1.749 40 0 CDABMO CC(C)n1cc(C[NH2+]Cc2ccnn2CCF)cn1 ZINC000256051317 190003496 /nfs/dbraw/zinc/00/34/96/190003496.db2.gz IRBUILUCPFZHPM-UHFFFAOYSA-N 1 1 265.336 1.920 40 0 CDABMO Cc1n[nH]cc1-c1cnc([C@H]2CCC[N@H+](C)C2)cn1 ZINC000257214574 190013257 /nfs/dbraw/zinc/01/32/57/190013257.db2.gz CMMVWTXJJMXRQO-NSHDSACASA-N 1 1 257.341 1.984 40 0 CDABMO COc1ccccc1[C@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1C ZINC000257231693 190016187 /nfs/dbraw/zinc/01/61/87/190016187.db2.gz GHWKXSNRYJYXFQ-CQSZACIVSA-N 1 1 286.379 1.907 40 0 CDABMO COc1ccccc1[C@H]1CN(Cc2ncc[nH]2)CC[N@H+]1C ZINC000257231693 190016188 /nfs/dbraw/zinc/01/61/88/190016188.db2.gz GHWKXSNRYJYXFQ-CQSZACIVSA-N 1 1 286.379 1.907 40 0 CDABMO CN(C)Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cncn3C)C2)n1 ZINC000257252054 190020180 /nfs/dbraw/zinc/02/01/80/190020180.db2.gz JTJKABXJHCMDOX-LBPRGKRZSA-N 1 1 288.399 1.194 40 0 CDABMO Cn1ccnc1CN1CCC[C@@H](CC[NH+](C)C)C1 ZINC000257295388 190028764 /nfs/dbraw/zinc/02/87/64/190028764.db2.gz QYCKYXJXCLPRAI-ZDUSSCGKSA-N 1 1 250.390 1.584 40 0 CDABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257298217 190029457 /nfs/dbraw/zinc/02/94/57/190029457.db2.gz RKRDSYRNYFEVNQ-CQSZACIVSA-N 1 1 290.411 1.908 40 0 CDABMO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2N)cc1OC ZINC000218871230 377941032 /nfs/dbraw/zinc/94/10/32/377941032.db2.gz FNVWYGBIEXEYCD-QWHCGFSZSA-N 1 1 264.369 1.716 40 0 CDABMO Cc1noc(C)c1CN1CC[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC000063527144 378303813 /nfs/dbraw/zinc/30/38/13/378303813.db2.gz NQUOQZQZIHOLRM-DFBGVHRSSA-N 1 1 293.411 1.426 40 0 CDABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2 ZINC000000056445 169520257 /nfs/dbraw/zinc/52/02/57/169520257.db2.gz ZTVIKZXZYLEVOL-IXXDHKBRSA-N 1 1 275.348 1.888 40 0 in-vitro CDABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000072228149 390626768 /nfs/dbraw/zinc/62/67/68/390626768.db2.gz VMPLZYBGHYRCFN-CVEARBPZSA-N 1 1 296.326 1.826 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1c(F)cccc1F ZINC000072397606 390628073 /nfs/dbraw/zinc/62/80/73/390628073.db2.gz YBWGFWOFSBBTQN-QJPTWQEYSA-N 1 1 282.334 1.604 40 0 CDABMO Cn1ccc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000227220868 140183277 /nfs/dbraw/zinc/18/32/77/140183277.db2.gz WQOWSBRSMYISFG-CABCVRRESA-N 1 1 256.353 1.697 40 0 CDABMO COc1cc(N2CCC[C@@]3(CCC[N@H+]3C)C2)ncn1 ZINC000096071414 398069550 /nfs/dbraw/zinc/06/95/50/398069550.db2.gz AHIUNQXCOXSXNI-AWEZNQCLSA-N 1 1 262.357 1.550 40 0 CDABMO C[NH+]1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1 ZINC000036139515 172463618 /nfs/dbraw/zinc/46/36/18/172463618.db2.gz FWQLYKKAFFGQPB-UHFFFAOYSA-N 1 1 273.380 1.674 40 0 CDABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2CCO)n1 ZINC000072355673 176374847 /nfs/dbraw/zinc/37/48/47/176374847.db2.gz JZGYFRDFGQTCKH-CQSZACIVSA-N 1 1 286.379 1.959 40 0 CDABMO CNC(=O)c1cccc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072355749 176375061 /nfs/dbraw/zinc/37/50/61/176375061.db2.gz NEENHGMLKXTOCK-OAHLLOKOSA-N 1 1 289.379 1.757 40 0 CDABMO Cc1csc(C2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000072357204 176376094 /nfs/dbraw/zinc/37/60/94/176376094.db2.gz XHFIMRRBMCMOOO-UHFFFAOYSA-N 1 1 267.398 1.719 40 0 CDABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)cc(=O)[nH]1 ZINC000072363786 176378092 /nfs/dbraw/zinc/37/80/92/176378092.db2.gz OVIHZZWBZGSGGM-AWEZNQCLSA-N 1 1 284.363 1.853 40 0 CDABMO Cc1nccc(C2CC[NH+](Cc3nccn3C)CC2)n1 ZINC000072364297 176379404 /nfs/dbraw/zinc/37/94/04/176379404.db2.gz REYVBXTYODWRMF-UHFFFAOYSA-N 1 1 271.368 1.898 40 0 CDABMO C[N@H+]1CCC[C@@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377390 176385517 /nfs/dbraw/zinc/38/55/17/176385517.db2.gz BJXLFBSGAAWKEA-GFCCVEGCSA-N 1 1 256.313 1.777 40 0 CDABMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072378781 176385925 /nfs/dbraw/zinc/38/59/25/176385925.db2.gz NNUXZZGQPKKJNC-AWEZNQCLSA-N 1 1 299.378 1.492 40 0 CDABMO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072378781 176385926 /nfs/dbraw/zinc/38/59/26/176385926.db2.gz NNUXZZGQPKKJNC-AWEZNQCLSA-N 1 1 299.378 1.492 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(F)c1 ZINC000072397633 176394875 /nfs/dbraw/zinc/39/48/75/176394875.db2.gz JGYRAOGEWYUKGQ-BYCMXARLSA-N 1 1 264.344 1.465 40 0 CDABMO CCO[C@H]1C[N@@H+](Cc2cccnc2)[C@@H]2CCCO[C@@H]21 ZINC000096057438 276360074 /nfs/dbraw/zinc/36/00/74/276360074.db2.gz DETGGVGGLORBIN-ILXRZTDVSA-N 1 1 262.353 1.850 40 0 CDABMO CO[C@H]1Cn2nccc2C[N@@H+](CC2CCOCC2)C1 ZINC000247819568 277354010 /nfs/dbraw/zinc/35/40/10/277354010.db2.gz COVFQHDZPJTKEP-CQSZACIVSA-N 1 1 265.357 1.140 40 0 CDABMO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)[N@@H+](C)C1CC1 ZINC000069701838 342008402 /nfs/dbraw/zinc/00/84/02/342008402.db2.gz JJGRTHAJTSSIIL-JTQLQIEISA-N 1 1 274.368 1.567 40 0 CDABMO O=S(=O)(C1CC1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096049308 185073054 /nfs/dbraw/zinc/07/30/54/185073054.db2.gz KXEJIKSZGXZAMX-UHFFFAOYSA-N 1 1 298.452 1.819 40 0 CDABMO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccncc2)cn1 ZINC000096055744 185076110 /nfs/dbraw/zinc/07/61/10/185076110.db2.gz ZLBBABBUTHGRCP-LSDHHAIUSA-N 1 1 297.362 1.195 40 0 CDABMO O=C(c1ccc[nH]1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1ccccn1 ZINC000096064022 185084656 /nfs/dbraw/zinc/08/46/56/185084656.db2.gz YZWAMEWMLJJMRJ-JKSUJKDBSA-N 1 1 296.374 1.899 40 0 CDABMO COCC[N@H+]1CC[C@]2(CCN2Cc2csc(C)n2)C1 ZINC000096076024 185089078 /nfs/dbraw/zinc/08/90/78/185089078.db2.gz CAFIRKANMXYOFA-AWEZNQCLSA-N 1 1 281.425 1.748 40 0 CDABMO O[C@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585279107 342256621 /nfs/dbraw/zinc/25/66/21/342256621.db2.gz TUVIQSIRCFWHDH-CJNGLKHVSA-N 1 1 289.354 1.974 40 0 CDABMO O[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585279107 342256622 /nfs/dbraw/zinc/25/66/22/342256622.db2.gz TUVIQSIRCFWHDH-CJNGLKHVSA-N 1 1 289.354 1.974 40 0 CDABMO CC1(C)C[C@]2(CCC[N@H+]2Cc2cc[nH]n2)[C@H](CC(N)=O)O1 ZINC000585290832 342258830 /nfs/dbraw/zinc/25/88/30/342258830.db2.gz HHOQIJTXCRWUMX-SWLSCSKDSA-N 1 1 292.383 1.187 40 0 CDABMO C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)Nc3cccnc3)[C@@H]2C1 ZINC000097953560 529824033 /nfs/dbraw/zinc/82/40/33/529824033.db2.gz PXDXTGMNBDATHP-BZPMIXESSA-N 1 1 275.352 1.234 40 0 CDABMO Fc1cccc(CN2C[C@@H]3C[N@@H+]([C@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196260 186162553 /nfs/dbraw/zinc/16/25/53/186162553.db2.gz SDGGTUGKJUYFFV-UXLLHSPISA-N 1 1 290.382 1.978 40 0 CDABMO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccoc2)N1c1cncnc1 ZINC000107251826 186165062 /nfs/dbraw/zinc/16/50/62/186165062.db2.gz GKUJDYHWUXQGSA-ZIAGYGMSSA-N 1 1 284.319 1.449 40 0 CDABMO c1cc(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)n[nH]1 ZINC000107785241 186189710 /nfs/dbraw/zinc/18/97/10/186189710.db2.gz UBIXTZMIMLQEPB-HUUCEWRRSA-N 1 1 277.368 1.570 40 0 CDABMO c1cc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)n[nH]1 ZINC000107785241 186189711 /nfs/dbraw/zinc/18/97/11/186189711.db2.gz UBIXTZMIMLQEPB-HUUCEWRRSA-N 1 1 277.368 1.570 40 0 CDABMO O=C1NCC[C@@]12CCC[N@@H+](Cc1ccncc1)CC2 ZINC000108526768 186221262 /nfs/dbraw/zinc/22/12/62/186221262.db2.gz HBLSKPPHUIOCIS-OAHLLOKOSA-N 1 1 259.353 1.574 40 0 CDABMO COC(=O)[C@@H]([NH3+])CCc1cnc2cc(C)ccc2c1 ZINC000256053799 350909666 /nfs/dbraw/zinc/90/96/66/350909666.db2.gz SXDWSNIEXJDFQH-ZDUSSCGKSA-N 1 1 258.321 1.976 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC000004476513 356031337 /nfs/dbraw/zinc/03/13/37/356031337.db2.gz RVGUQPGNMZYGQO-CYBMUJFWSA-N 1 1 275.352 1.226 40 0 CDABMO CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CCO)C1 ZINC000079414202 356993482 /nfs/dbraw/zinc/99/34/82/356993482.db2.gz JUHQOVHXDNEWLX-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO Cn1ccc([C@@H]2[NH2+]CCc3cc4c(cc32)OCO4)n1 ZINC000019291105 358041627 /nfs/dbraw/zinc/04/16/27/358041627.db2.gz OLVRACKXQAYSNV-CQSZACIVSA-N 1 1 257.293 1.384 40 0 CDABMO CCOC[C@H]1C[N@@H+](C)C2(CN(c3ncccn3)C2)C1 ZINC000585093868 358098554 /nfs/dbraw/zinc/09/85/54/358098554.db2.gz LRKUUONCUUWRLR-GFCCVEGCSA-N 1 1 262.357 1.024 40 0 CDABMO CCC[N@H+]1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC000096185071 358714270 /nfs/dbraw/zinc/71/42/70/358714270.db2.gz SUZHOIIAKYAFGJ-ZNMIVQPWSA-N 1 1 262.353 1.707 40 0 CDABMO O=C1NCC[C@]12C[N@H+]([C@@H]1CCOC1)C[C@H]2c1ccccc1 ZINC000096201831 358719083 /nfs/dbraw/zinc/71/90/83/358719083.db2.gz QTUYVLIFLQQWCB-HLLBOEOZSA-N 1 1 286.375 1.381 40 0 CDABMO Cc1cc(CN2C[C@@H]3C[N@@H+](CC4CC4)CCO[C@@H]3C2)no1 ZINC000096208979 358720019 /nfs/dbraw/zinc/72/00/19/358720019.db2.gz PFCXEBSJIACACP-GOEBONIOSA-N 1 1 291.395 1.526 40 0 CDABMO CCOC[C@H]1Cn2cncc2C[N@@H+](CC2CCOCC2)C1 ZINC000096208217 358720360 /nfs/dbraw/zinc/72/03/60/358720360.db2.gz CGIZLXXSJIZWNR-OAHLLOKOSA-N 1 1 293.411 1.778 40 0 CDABMO CS(=O)(=O)N1CCC[C@@]12CCC[N@@H+](CC1CC1)C2 ZINC000096214932 358721542 /nfs/dbraw/zinc/72/15/42/358721542.db2.gz DTRJMHNIZBJPEW-CYBMUJFWSA-N 1 1 272.414 1.286 40 0 CDABMO CC(C)C[N@H+]1C[C@H]2C[C@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000096253052 358727332 /nfs/dbraw/zinc/72/73/32/358727332.db2.gz CQTNEZZWMZWGRU-HZSPNIEDSA-N 1 1 266.385 1.258 40 0 CDABMO C(c1nnn2c1C[N@@H+](CC1CC1)CCC2)N1CCCC1 ZINC000096259482 358729041 /nfs/dbraw/zinc/72/90/41/358729041.db2.gz VVRPHLKUVJLOIQ-UHFFFAOYSA-N 1 1 275.400 1.490 40 0 CDABMO O=C1C[C@H]2[C@@H](CC[N@H+]2[C@@H]2CCOC2)N1c1ccsc1 ZINC000107198678 359016921 /nfs/dbraw/zinc/01/69/21/359016921.db2.gz GAKZXYNNJCUPDS-RTXFEEFZSA-N 1 1 278.377 1.717 40 0 CDABMO CC(C)C[N@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C1 ZINC000514289241 360125446 /nfs/dbraw/zinc/12/54/46/360125446.db2.gz KCHOENFMINYOEQ-HZPDHXFCSA-N 1 1 293.455 1.000 40 0 biogenic,in-vitro CDABMO COCCNC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069376540 369574027 /nfs/dbraw/zinc/57/40/27/369574027.db2.gz VUWGDEJFBMFHOA-CYBMUJFWSA-N 1 1 283.416 1.729 40 0 CDABMO CCOC[C@@]1([NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218567446 373024332 /nfs/dbraw/zinc/02/43/32/373024332.db2.gz MZRPQOXAXMZYCU-RWMBFGLXSA-N 1 1 287.356 1.070 40 0 CDABMO CCC[N@H+]1CCCC[C@H]1C(=O)NCCCn1ccnc1 ZINC000079351810 374795199 /nfs/dbraw/zinc/79/51/99/374795199.db2.gz CATMOQWUUWEMTL-AWEZNQCLSA-N 1 1 278.400 1.654 40 0 CDABMO Cc1nn(C)c(F)c1C[NH2+]Cc1cnn(CCF)c1 ZINC000256051441 190003680 /nfs/dbraw/zinc/00/36/80/190003680.db2.gz JEDAMXGPUNRJNF-UHFFFAOYSA-N 1 1 269.299 1.323 40 0 CDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000217670739 375701047 /nfs/dbraw/zinc/70/10/47/375701047.db2.gz VLUQFGBQDHELRD-NEPJUHHUSA-N 1 1 279.336 1.522 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2cccnc2)CC[C@@]12CCCO2 ZINC000257223740 190015028 /nfs/dbraw/zinc/01/50/28/190015028.db2.gz DYQLKWPWEPWQMD-GJZGRUSLSA-N 1 1 262.353 1.852 40 0 CDABMO Cc1ccnc([C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000257247213 190019019 /nfs/dbraw/zinc/01/90/19/190019019.db2.gz IXYORPGSABNNKH-ZDUSSCGKSA-N 1 1 260.385 1.669 40 0 CDABMO Cc1ccnc([C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000257247213 190019020 /nfs/dbraw/zinc/01/90/20/190019020.db2.gz IXYORPGSABNNKH-ZDUSSCGKSA-N 1 1 260.385 1.669 40 0 CDABMO C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cccc(=O)[nH]1 ZINC000257272189 190023900 /nfs/dbraw/zinc/02/39/00/190023900.db2.gz NBJONOSAFZMOEN-BBRMVZONSA-N 1 1 289.379 1.876 40 0 CDABMO Cc1cc(-c2cncc(C[C@H]3CC[N@H+](C)C3)n2)n[nH]1 ZINC000257343546 190037782 /nfs/dbraw/zinc/03/77/82/190037782.db2.gz ZTLCUEQNSHJCRL-LLVKDONJSA-N 1 1 257.341 1.669 40 0 CDABMO Cc1cccc(N2C[C@@H]3C(=O)N(c4cccnc4)C[C@@H]3C2)[nH+]1 ZINC000096245169 256831751 /nfs/dbraw/zinc/83/17/51/256831751.db2.gz CQUUIZGHQWKJGD-ZFWWWQNUSA-N 1 1 294.358 1.884 40 0 CDABMO CC[NH+](/C=C/c1nnnn1-c1ccc(OC)cc1)CC ZINC000055135612 390488193 /nfs/dbraw/zinc/48/81/93/390488193.db2.gz NRJBFZXGODIVOR-ZHACJKMWSA-N 1 1 273.340 1.983 40 0 CDABMO CC(=O)N1CC[N@@H+](CCOCC(C)C)C(C)(C)C1 ZINC000225722439 393197113 /nfs/dbraw/zinc/19/71/13/393197113.db2.gz GKXLZWPKITZLIK-UHFFFAOYSA-N 1 1 256.390 1.602 40 0 CDABMO CC(=O)N1CC[N@H+](CCOCC(C)C)C(C)(C)C1 ZINC000225722439 393197121 /nfs/dbraw/zinc/19/71/21/393197121.db2.gz GKXLZWPKITZLIK-UHFFFAOYSA-N 1 1 256.390 1.602 40 0 CDABMO Cn1cc(C[N@@H+](C)[C@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257246595 397607455 /nfs/dbraw/zinc/60/74/55/397607455.db2.gz IUVGRWAQAXDCHE-HNNXBMFYSA-N 1 1 285.395 1.916 40 0 CDABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1OCC ZINC000005466416 170102059 /nfs/dbraw/zinc/10/20/59/170102059.db2.gz IHBCGFOUGFHQNQ-UHFFFAOYSA-N 1 1 292.379 1.872 40 0 CDABMO CC[N@H+]1CCC[C@](O)(CN(C)Cc2c(C)nn(C)c2C)C1 ZINC000046087874 175392518 /nfs/dbraw/zinc/39/25/18/175392518.db2.gz BJBNWJZNRGVTBX-INIZCTEOSA-N 1 1 294.443 1.316 40 0 CDABMO COCCNC(=O)CCc1cccc([C@H]2CCC[N@H+]2C)n1 ZINC000072360555 176377018 /nfs/dbraw/zinc/37/70/18/176377018.db2.gz DEWQURJDDMYYPT-OAHLLOKOSA-N 1 1 291.395 1.544 40 0 CDABMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1CCOCC1)C2 ZINC000096056771 277256749 /nfs/dbraw/zinc/25/67/49/277256749.db2.gz VHQFVCVHLZKTKM-CVEARBPZSA-N 1 1 283.412 1.931 40 0 CDABMO COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000000001213 295278540 /nfs/dbraw/zinc/27/85/40/295278540.db2.gz OROGSEYTTFOCAN-WYEVINAZSA-N 1 1 299.370 1.501 40 0 in-vitro CDABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](O)Cc1ccccc1)C2 ZINC000100617969 1174638526 /nfs/dbraw/zinc/63/85/26/1174638526.db2.gz FNRXUEYLFZLOEZ-FXUDXRNXSA-N 1 1 289.375 1.758 40 0 in-vitro CDABMO CN1CC[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1CO ZINC000931397944 933554135 /nfs/dbraw/zinc/55/41/35/933554135.db2.gz CLMPFUVNKUQXBM-AWEZNQCLSA-N 1 1 252.402 1.565 40 0 CDABMO C[N@H+]1CCC[C@@]2(CN(Cc3nccs3)CCO2)C1 ZINC000096049064 185072267 /nfs/dbraw/zinc/07/22/67/185072267.db2.gz XLVHOLYAMPSFAF-ZDUSSCGKSA-N 1 1 267.398 1.440 40 0 CDABMO COCCN1CC[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1=O ZINC000096054612 185076008 /nfs/dbraw/zinc/07/60/08/185076008.db2.gz CCAUVGHBFNQEQW-KBPBESRZSA-N 1 1 294.420 1.675 40 0 CDABMO c1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000096073783 185088672 /nfs/dbraw/zinc/08/86/72/185088672.db2.gz HDRKVDSHMOWRFE-HOCLYGCPSA-N 1 1 288.395 1.922 40 0 CDABMO COCC[N@H+]1CC[C@]12CCN(C(=O)Cc1ccccc1)C2 ZINC000096075958 185090141 /nfs/dbraw/zinc/09/01/41/185090141.db2.gz YCWBRGAEMFUIOY-KRWDZBQOSA-N 1 1 288.391 1.552 40 0 CDABMO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000585109734 342213162 /nfs/dbraw/zinc/21/31/62/342213162.db2.gz MWTYMSSSEBNBLZ-KCQAQPDRSA-N 1 1 260.337 1.149 40 0 CDABMO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH+]1CCOCC1 ZINC000585284334 342258449 /nfs/dbraw/zinc/25/84/49/342258449.db2.gz HIUSZMYDGKYPEK-ARFHVFGLSA-N 1 1 295.354 1.819 40 0 CDABMO Cc1cccc(OC[C@@]2(O)C[N@H+](C3CCC3)CC[C@@H]2O)c1 ZINC000585282657 342258528 /nfs/dbraw/zinc/25/85/28/342258528.db2.gz MFNWNASBMKUCHU-IRXDYDNUSA-N 1 1 291.391 1.724 40 0 CDABMO CC[N@H+]1CC[C@H](N(C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212520 344547564 /nfs/dbraw/zinc/54/75/64/344547564.db2.gz BKNBIUSEBXQMSH-OLZOCXBDSA-N 1 1 271.405 1.347 40 0 CDABMO CCN1CC[C@H]([N@H+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212520 344547569 /nfs/dbraw/zinc/54/75/69/344547569.db2.gz BKNBIUSEBXQMSH-OLZOCXBDSA-N 1 1 271.405 1.347 40 0 CDABMO CCN1CC[C@H]([N@@H+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212520 344547570 /nfs/dbraw/zinc/54/75/70/344547570.db2.gz BKNBIUSEBXQMSH-OLZOCXBDSA-N 1 1 271.405 1.347 40 0 CDABMO CNc1cncc([C@H]2CCC[N@H+]2C2CCN(C)CC2)n1 ZINC000257261973 362580739 /nfs/dbraw/zinc/58/07/39/362580739.db2.gz LJMPYJRMTJXMIW-CQSZACIVSA-N 1 1 275.400 1.749 40 0 CDABMO CNc1cncc([C@H]2CCCN2C2CC[NH+](C)CC2)n1 ZINC000257261973 362580742 /nfs/dbraw/zinc/58/07/42/362580742.db2.gz LJMPYJRMTJXMIW-CQSZACIVSA-N 1 1 275.400 1.749 40 0 CDABMO Cc1cccc(N2CCC[C@H](N(C)S(C)(=O)=O)C2)[nH+]1 ZINC000257324345 362585691 /nfs/dbraw/zinc/58/56/91/362585691.db2.gz WOFRFONOIRIOLI-LBPRGKRZSA-N 1 1 283.397 1.250 40 0 CDABMO Cc1ncc(C[N@@H+]2CCC3(CC(NC(=O)N(C)C)C3)C2)[nH]1 ZINC000108527596 186221177 /nfs/dbraw/zinc/22/11/77/186221177.db2.gz VBLIKNXCEPXZTK-UHFFFAOYSA-N 1 1 291.399 1.344 40 0 CDABMO Cc1nc(C[N@H+]2CCC3(CC(NC(=O)N(C)C)C3)C2)c[nH]1 ZINC000108527596 186221179 /nfs/dbraw/zinc/22/11/79/186221179.db2.gz VBLIKNXCEPXZTK-UHFFFAOYSA-N 1 1 291.399 1.344 40 0 CDABMO Cc1nc(C[N@@H+]2CCC3(CC(NC(=O)N(C)C)C3)C2)c[nH]1 ZINC000108527596 186221180 /nfs/dbraw/zinc/22/11/80/186221180.db2.gz VBLIKNXCEPXZTK-UHFFFAOYSA-N 1 1 291.399 1.344 40 0 CDABMO COc1ccc(-c2ncc(C[N@H+]3CC[C@@H](CO)C3)cn2)cc1 ZINC000012183002 356290647 /nfs/dbraw/zinc/29/06/47/356290647.db2.gz NZURPCZCYNWCLF-CYBMUJFWSA-N 1 1 299.374 1.966 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019576548 356492551 /nfs/dbraw/zinc/49/25/51/356492551.db2.gz VOGMPXDJDYANDK-UHFFFAOYSA-N 1 1 261.350 1.698 40 0 CDABMO C[N@H+](CCN)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390946 356988240 /nfs/dbraw/zinc/98/82/40/356988240.db2.gz VSPOAVKPQJAZCV-HNNXBMFYSA-N 1 1 291.395 1.536 40 0 CDABMO C[N@@H+](CCN)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390946 356988248 /nfs/dbraw/zinc/98/82/48/356988248.db2.gz VSPOAVKPQJAZCV-HNNXBMFYSA-N 1 1 291.395 1.536 40 0 CDABMO OCC[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000079393544 356989650 /nfs/dbraw/zinc/98/96/50/356989650.db2.gz QQLSXSJJYFZYDC-MRXNPFEDSA-N 1 1 274.408 1.965 40 0 CDABMO COC[C@H]1C[N@@H+](CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060042 358707452 /nfs/dbraw/zinc/70/74/52/358707452.db2.gz XXMLPTPFYTWZGF-CQSZACIVSA-N 1 1 279.384 1.392 40 0 CDABMO CN(C)C(=O)[C@@H]1Cn2nccc2C[N@@H+](Cc2ccccc2)C1 ZINC000096188778 358715523 /nfs/dbraw/zinc/71/55/23/358715523.db2.gz SNFZOVLUSFLACY-HNNXBMFYSA-N 1 1 298.390 1.603 40 0 CDABMO Cc1cccc(N2CCn3c(Cn4cccn4)cnc3C2)[nH+]1 ZINC000096201100 358718175 /nfs/dbraw/zinc/71/81/75/358718175.db2.gz AIJGRPXJCAOALD-UHFFFAOYSA-N 1 1 294.362 1.852 40 0 CDABMO O[C@H]1CC[N@@H+](C[C@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200467 358718433 /nfs/dbraw/zinc/71/84/33/358718433.db2.gz NDUHCNFVKALBQZ-ILXRZTDVSA-N 1 1 262.353 1.096 40 0 CDABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)C1CC=CC1)CC2 ZINC000096208121 358720305 /nfs/dbraw/zinc/72/03/05/358720305.db2.gz OHGRAJYAUAMIJD-OAHLLOKOSA-N 1 1 292.423 1.912 40 0 CDABMO c1cnc(N2CCO[C@H]3C[N@H+](CC4CCC4)C[C@H]32)cn1 ZINC000096248899 358726845 /nfs/dbraw/zinc/72/68/45/358726845.db2.gz FPULGJRYIPKISU-KGLIPLIRSA-N 1 1 274.368 1.166 40 0 CDABMO CCc1ncnc2c1CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096255013 358727756 /nfs/dbraw/zinc/72/77/56/358727756.db2.gz CKSIKFRIKKXXMD-UHFFFAOYSA-N 1 1 271.368 1.373 40 0 CDABMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000075643028 359287648 /nfs/dbraw/zinc/28/76/48/359287648.db2.gz QOKOKJDTURLGBD-GFCCVEGCSA-N 1 1 268.382 1.277 40 0 CDABMO CC1(C)O[C@@H]2[C@@H](CO)[N@H+](Cc3ccccc3)C[C@@H]2O1 ZINC000096023972 360681260 /nfs/dbraw/zinc/68/12/60/360681260.db2.gz AUVSIAZDYGROKK-HZSPNIEDSA-N 1 1 263.337 1.383 40 0 CDABMO C[C@H]1CO[C@@H](CO)C[N@H+]1CCCCC1CCOCC1 ZINC000225500377 374561809 /nfs/dbraw/zinc/56/18/09/374561809.db2.gz FJARHYHWFLLGMB-DZGCQCFKSA-N 1 1 271.401 1.665 40 0 CDABMO C[N@H+]1CCC[C@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000078664088 374710059 /nfs/dbraw/zinc/71/00/59/374710059.db2.gz QGXADEHNRWSRTO-AWEZNQCLSA-N 1 1 294.830 1.951 40 0 CDABMO CCC[N@H+]1C[C@@H]2[C@H](C1)N(CC1CC1)C(=O)c1cccn12 ZINC000306141443 374972018 /nfs/dbraw/zinc/97/20/18/374972018.db2.gz VWKUIKSVVUPRLY-CABCVRRESA-N 1 1 273.380 1.989 40 0 CDABMO C[C@@H]1CC[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC000225547792 375162510 /nfs/dbraw/zinc/16/25/10/375162510.db2.gz YKKISIMIPRCSNO-BDAKNGLRSA-N 1 1 273.270 1.606 40 0 CDABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cnco1)C2 ZINC000257206201 190011346 /nfs/dbraw/zinc/01/13/46/190011346.db2.gz BCHRBAQGFYBMFN-DNVSUFBTSA-N 1 1 275.352 1.762 40 0 CDABMO Cc1nc(C[C@H]2CCC[N@@H+](C)C2)cc(C(=O)N(C)C)n1 ZINC000257236999 190017440 /nfs/dbraw/zinc/01/74/40/190017440.db2.gz HETYUPFYTAFZKH-GFCCVEGCSA-N 1 1 276.384 1.371 40 0 CDABMO CNC(=O)[C@@H]1CN(C)CC[N@@H+](CCCc2ccccc2)C1 ZINC000257241326 190018451 /nfs/dbraw/zinc/01/84/51/190018451.db2.gz HXQQXIBNEZRRTI-MRXNPFEDSA-N 1 1 289.423 1.229 40 0 CDABMO Cc1cccc(C[N@H+]2CC[C@H](O)[C@@H](n3ccnc3)CC2)n1 ZINC000257246593 190019025 /nfs/dbraw/zinc/01/90/25/190019025.db2.gz IUVBDXHYINYIFV-HOTGVXAUSA-N 1 1 286.379 1.785 40 0 CDABMO Cn1nccc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257336406 190036236 /nfs/dbraw/zinc/03/62/36/190036236.db2.gz YOGFSDJFGZKYHA-HUUCEWRRSA-N 1 1 273.336 1.044 40 0 CDABMO Cn1nccc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257336406 190036237 /nfs/dbraw/zinc/03/62/37/190036237.db2.gz YOGFSDJFGZKYHA-HUUCEWRRSA-N 1 1 273.336 1.044 40 0 CDABMO OC1(C[N@H+]2CCC[C@H](c3nccs3)C2)CCOCC1 ZINC000153004785 285237127 /nfs/dbraw/zinc/23/71/27/285237127.db2.gz NKORTZPAMIUOFE-LBPRGKRZSA-N 1 1 282.409 1.864 40 0 CDABMO CC[C@@H](O)c1c[nH+]c(N2CCN(C=O)CC2)cc1C ZINC000072223682 256704817 /nfs/dbraw/zinc/70/48/17/256704817.db2.gz HYXKDPPDVDDCOW-CYBMUJFWSA-N 1 1 263.341 1.112 40 0 CDABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccco2)cc1 ZINC000072227152 390626781 /nfs/dbraw/zinc/62/67/81/390626781.db2.gz GVWWAZLCGMHVFR-CHWSQXEVSA-N 1 1 258.277 1.703 40 0 CDABMO CCn1nnc2c1[C@H](COC)C[N@@H+](CC1CCOCC1)C2 ZINC000096060849 390912476 /nfs/dbraw/zinc/91/24/76/390912476.db2.gz WGNHOHCGKVAJQA-ZDUSSCGKSA-N 1 1 294.399 1.270 40 0 CDABMO Cc1cc(-c2nccnc2[C@@H]2CCC[N@H+](C)C2)n[nH]1 ZINC000257234496 391648433 /nfs/dbraw/zinc/64/84/33/391648433.db2.gz GTUCWYWNYMRJOA-LLVKDONJSA-N 1 1 257.341 1.984 40 0 CDABMO C[NH+](C)CCC[NH2+]Cc1ccc(OCC(=O)[O-])cc1 ZINC000062716800 392802394 /nfs/dbraw/zinc/80/23/94/392802394.db2.gz HDOHYEPQBHMDFC-UHFFFAOYSA-N 1 1 266.341 1.191 40 0 CDABMO Cc1nn(C)c(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000008490513 170337826 /nfs/dbraw/zinc/33/78/26/170337826.db2.gz QZIVZNFVLJBITH-YHWZYXNKSA-N 1 1 276.384 1.392 40 0 CDABMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(N)c2)C1 ZINC000040620343 174354340 /nfs/dbraw/zinc/35/43/40/174354340.db2.gz PLKMLVBMVNQUJK-LBPRGKRZSA-N 1 1 261.369 1.729 40 0 CDABMO COc1ncc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)cn1 ZINC000072386214 176391593 /nfs/dbraw/zinc/39/15/93/176391593.db2.gz HMWQHTLEAORXJW-CYBMUJFWSA-N 1 1 287.367 1.896 40 0 CDABMO CCN1CCC[C@](O)(C[N@H+]2CCCC[C@@H]2CCO)C1 ZINC000046087851 423932318 /nfs/dbraw/zinc/93/23/18/423932318.db2.gz MTPYSZIMCYAYGJ-HUUCEWRRSA-N 1 1 270.417 1.070 40 0 CDABMO CCOC[C@@H]1C[N@H+](Cc2cccnc2)Cc2cnn(C)c21 ZINC000096060070 276331537 /nfs/dbraw/zinc/33/15/37/276331537.db2.gz YAQYMWPSKXWISX-HNNXBMFYSA-N 1 1 286.379 1.951 40 0 CDABMO CCOC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2cnn(C)c21 ZINC000096060070 276331539 /nfs/dbraw/zinc/33/15/39/276331539.db2.gz YAQYMWPSKXWISX-HNNXBMFYSA-N 1 1 286.379 1.951 40 0 CDABMO COC[C@@H]1CC2(CN1Cc1nccs1)CC[NH2+]CC2 ZINC000306142928 277250251 /nfs/dbraw/zinc/25/02/51/277250251.db2.gz XOHJNXCGPJQUSA-LBPRGKRZSA-N 1 1 281.425 1.734 40 0 CDABMO CCOc1cccc(C[NH2+]CCC[NH2+]C)c1OCC(=O)[O-] ZINC000062718563 327915553 /nfs/dbraw/zinc/91/55/53/327915553.db2.gz NYVMRILKSAAUND-UHFFFAOYSA-N 1 1 296.367 1.248 40 0 CDABMO CC1(C)CC(=O)NCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000931200751 617643284 /nfs/dbraw/zinc/64/32/84/617643284.db2.gz ACEWNUWHAKKHTH-LBPRGKRZSA-N 1 1 266.385 1.689 40 0 CDABMO Cn1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000930079843 787069882 /nfs/dbraw/zinc/06/98/82/787069882.db2.gz XOEZYQHVBBFZMY-GFCCVEGCSA-N 1 1 277.372 1.559 40 0 CDABMO O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+](CC1CC1)C2 ZINC000096048724 185072834 /nfs/dbraw/zinc/07/28/34/185072834.db2.gz ZLQIOQIMNNBPKX-INIZCTEOSA-N 1 1 286.379 1.706 40 0 CDABMO CNC(=O)C[C@@]1(COC)CCC[N@H+]1Cc1ccc(C)nc1 ZINC000585276490 342256344 /nfs/dbraw/zinc/25/63/44/342256344.db2.gz PAYALVUKHIRSKH-MRXNPFEDSA-N 1 1 291.395 1.507 40 0 CDABMO C[N@@H+](CCO)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289991 342258785 /nfs/dbraw/zinc/25/87/85/342258785.db2.gz YSHBOJBIMUITGJ-RRFJBIMHSA-N 1 1 299.798 1.925 40 0 CDABMO CN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000314313999 344911665 /nfs/dbraw/zinc/91/16/65/344911665.db2.gz MOGVBIOSSDMYCC-GFCCVEGCSA-N 1 1 294.374 1.372 40 0 CDABMO CN(CCC(=O)Nc1cc(N)ccc1F)[C@@H]1CC[N@H+](C)C1 ZINC000314313999 344911667 /nfs/dbraw/zinc/91/16/67/344911667.db2.gz MOGVBIOSSDMYCC-GFCCVEGCSA-N 1 1 294.374 1.372 40 0 CDABMO CN(CCC(=O)Nc1cc(N)ccc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000314313999 344911669 /nfs/dbraw/zinc/91/16/69/344911669.db2.gz MOGVBIOSSDMYCC-GFCCVEGCSA-N 1 1 294.374 1.372 40 0 CDABMO C[N@H+]1CCC[C@@H]1c1ccc(N2CCC(C(N)=O)CC2)cn1 ZINC000257257884 362580419 /nfs/dbraw/zinc/58/04/19/362580419.db2.gz KRMBFJPSEJPCMT-OAHLLOKOSA-N 1 1 288.395 1.550 40 0 CDABMO Cc1cccc(N2CCC[C@@H](NC(=O)Cn3cccn3)C2)[nH+]1 ZINC000257340361 362587119 /nfs/dbraw/zinc/58/71/19/362587119.db2.gz ZFQXFZRCNWFDFD-CQSZACIVSA-N 1 1 299.378 1.372 40 0 CDABMO CNC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccnn1C)C2 ZINC000108535062 186222326 /nfs/dbraw/zinc/22/23/26/186222326.db2.gz RLOVRGALTLTDTR-UKRRQHHQSA-N 1 1 276.384 1.158 40 0 CDABMO CNS(=O)(=O)c1ccc(CNc2cccc(C)[nH+]2)cc1 ZINC000157021380 188293613 /nfs/dbraw/zinc/29/36/13/188293613.db2.gz VKZANGYLPRJOBZ-UHFFFAOYSA-N 1 1 291.376 1.910 40 0 CDABMO C[N@@H+](CCO)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391642 356988451 /nfs/dbraw/zinc/98/84/51/356988451.db2.gz LIJSBXINQWNNDR-OAHLLOKOSA-N 1 1 292.379 1.712 40 0 CDABMO CN(C[C@H]1CCCC[N@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407909 356991446 /nfs/dbraw/zinc/99/14/46/356991446.db2.gz HIYGROAJCLIOHS-GFCCVEGCSA-N 1 1 272.389 1.700 40 0 CDABMO OCC[N@H+]1CC[C@@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079414367 356993615 /nfs/dbraw/zinc/99/36/15/356993615.db2.gz SEASINYHCZQPHH-MRXNPFEDSA-N 1 1 274.408 1.965 40 0 CDABMO OCC[NH+]1CC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414367 356993617 /nfs/dbraw/zinc/99/36/17/356993617.db2.gz SEASINYHCZQPHH-MRXNPFEDSA-N 1 1 274.408 1.965 40 0 CDABMO COCCN1CCn2cc(C[N@@H+](C)C(C)C)nc2C1 ZINC000096197207 358716433 /nfs/dbraw/zinc/71/64/33/358716433.db2.gz IOJIUWYLXMATMF-UHFFFAOYSA-N 1 1 266.389 1.185 40 0 CDABMO COCCO[C@@H]1CC[N@@H+](CC2CC2)[C@H]1Cc1cnn(C)c1 ZINC000096200234 358718453 /nfs/dbraw/zinc/71/84/53/358718453.db2.gz RVUBEYPRFVPHRE-JKSUJKDBSA-N 1 1 293.411 1.479 40 0 CDABMO COc1ncccc1CN1CCOC[C@]2(CC[N@@H+](C)C2)C1 ZINC000096201920 358719344 /nfs/dbraw/zinc/71/93/44/358719344.db2.gz MISNYPRWRQRVLB-INIZCTEOSA-N 1 1 291.395 1.244 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1ccoc1)CC[C@@H]2OC ZINC000096206450 358720180 /nfs/dbraw/zinc/72/01/80/358720180.db2.gz CUBYISHTVMIHGF-ZNMIVQPWSA-N 1 1 264.369 1.821 40 0 CDABMO O=C1[C@H]2C[N@H+]([C@H]3CCOC3)C[C@H]2CN1c1ccsc1 ZINC000096245220 358725443 /nfs/dbraw/zinc/72/54/43/358725443.db2.gz SVYWNYIMYNYFGQ-GVXVVHGQSA-N 1 1 278.377 1.432 40 0 CDABMO COCCN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C)s1 ZINC000096245835 358725958 /nfs/dbraw/zinc/72/59/58/358725958.db2.gz BYYXHFHQUOBFJF-KBPBESRZSA-N 1 1 294.420 1.878 40 0 CDABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](O)c1ccccc1)C2 ZINC000100025278 361278117 /nfs/dbraw/zinc/27/81/17/361278117.db2.gz ZTVIKZXZYLEVOL-XGUBFFRZSA-N 1 1 275.348 1.888 40 0 in-vitro CDABMO Cc1ccc(CC[N@@H+](CC(N)=O)C[C@@H]2CCCO2)cc1 ZINC000076000483 366946718 /nfs/dbraw/zinc/94/67/18/366946718.db2.gz VLMCQLFULRZOFQ-HNNXBMFYSA-N 1 1 276.380 1.504 40 0 CDABMO Cc1ccc(CC[N@H+](CC(N)=O)C[C@@H]2CCCO2)cc1 ZINC000076000483 366946723 /nfs/dbraw/zinc/94/67/23/366946723.db2.gz VLMCQLFULRZOFQ-HNNXBMFYSA-N 1 1 276.380 1.504 40 0 CDABMO CCN1CCN([C@@H](C[NH3+])c2ccc(OC)c(OC)c2)CC1 ZINC000019795704 367281137 /nfs/dbraw/zinc/28/11/37/367281137.db2.gz QZBMFDWYLAINFN-AWEZNQCLSA-N 1 1 293.411 1.341 40 0 CDABMO Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc(C)[nH+]1 ZINC000080674324 374980468 /nfs/dbraw/zinc/98/04/68/374980468.db2.gz VJRRIBRFHGEZIH-NSHDSACASA-N 1 1 262.357 1.905 40 0 CDABMO Cc1cncc(COCc2cnc3n2CC[NH2+][C@H]3C)c1 ZINC000306144187 374972615 /nfs/dbraw/zinc/97/26/15/374972615.db2.gz YYMYBQUNZONYAX-LBPRGKRZSA-N 1 1 272.352 1.968 40 0 CDABMO C[N@H+]1CCC[C@H](c2ccc(C(=O)N3CCOCC3)cn2)C1 ZINC000257239133 190017792 /nfs/dbraw/zinc/01/77/92/190017792.db2.gz HOBSIBXBSGWOSR-AWEZNQCLSA-N 1 1 289.379 1.363 40 0 CDABMO Cn1ccnc1-c1cncc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000257281997 190026207 /nfs/dbraw/zinc/02/62/07/190026207.db2.gz ORVNTMBFSXVKJB-GFCCVEGCSA-N 1 1 287.367 1.049 40 0 CDABMO COC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[N@@H+](C)C1 ZINC000257294766 190028423 /nfs/dbraw/zinc/02/84/23/190028423.db2.gz QVQCSINPPKBWGX-GFCCVEGCSA-N 1 1 280.343 1.476 40 0 CDABMO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC000257320638 190033753 /nfs/dbraw/zinc/03/37/53/190033753.db2.gz VXRZIACLXLLGGM-LLVKDONJSA-N 1 1 286.335 1.320 40 0 CDABMO Cc1ccccc1-c1noc([C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC000257320638 190033754 /nfs/dbraw/zinc/03/37/54/190033754.db2.gz VXRZIACLXLLGGM-LLVKDONJSA-N 1 1 286.335 1.320 40 0 CDABMO c1cc(NC2CC3(C2)CC[N@H+](C2CCOCC2)C3)ncn1 ZINC000257331291 190035443 /nfs/dbraw/zinc/03/54/43/190035443.db2.gz XSEOPQQTFVFESP-UHFFFAOYSA-N 1 1 288.395 1.922 40 0 CDABMO C[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216296 390620872 /nfs/dbraw/zinc/62/08/72/390620872.db2.gz FAKRETLRIRAJQW-CQSZACIVSA-N 1 1 260.385 1.648 40 0 CDABMO CC[N@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216514 390621341 /nfs/dbraw/zinc/62/13/41/390621341.db2.gz JWQYCCKOQQFXKZ-HNNXBMFYSA-N 1 1 274.412 1.990 40 0 CDABMO CC[N@@H+]1CCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216514 390621342 /nfs/dbraw/zinc/62/13/42/390621342.db2.gz JWQYCCKOQQFXKZ-HNNXBMFYSA-N 1 1 274.412 1.990 40 0 CDABMO COC[C@@H]1C[N@H+](Cc2ccncc2)Cc2cnn(C)c21 ZINC000096060021 390912343 /nfs/dbraw/zinc/91/23/43/390912343.db2.gz XTEBJAZAHXEGMC-AWEZNQCLSA-N 1 1 272.352 1.561 40 0 CDABMO COC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2cnn(C)c21 ZINC000096060021 390912344 /nfs/dbraw/zinc/91/23/44/390912344.db2.gz XTEBJAZAHXEGMC-AWEZNQCLSA-N 1 1 272.352 1.561 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ccc(C)o2)[C@@H]2CCCO[C@@H]21 ZINC000096057407 390912406 /nfs/dbraw/zinc/91/24/06/390912406.db2.gz BSVRLSHZYPHPKL-RDBSUJKOSA-N 1 1 251.326 1.966 40 0 CDABMO CN(Cc1ccccn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306123040 392105588 /nfs/dbraw/zinc/10/55/88/392105588.db2.gz ADDWRTXHPGGWGV-AWEZNQCLSA-N 1 1 261.369 1.425 40 0 CDABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccnn1C(F)F)C2 ZINC000006639272 170221383 /nfs/dbraw/zinc/22/13/83/170221383.db2.gz WNHNVMVYDZWGRO-PBINXNQUSA-N 1 1 284.310 1.633 40 0 CDABMO COC[C@@H]1CN(C(C)=O)CC[N@@H+](Cc2ccccn2)C1 ZINC000072343691 176372175 /nfs/dbraw/zinc/37/21/75/176372175.db2.gz XMIHMWMIMPQJEE-AWEZNQCLSA-N 1 1 277.368 1.008 40 0 CDABMO C[N@H+]1CCC[C@@H](c2nccnc2NCC(F)F)C1 ZINC000072386923 176392512 /nfs/dbraw/zinc/39/25/12/176392512.db2.gz QETORALZVSLSHO-SECBINFHSA-N 1 1 256.300 1.963 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(F)cc1 ZINC000072397625 176394957 /nfs/dbraw/zinc/39/49/57/176394957.db2.gz YXVJSUXEIQRSPJ-BYCMXARLSA-N 1 1 264.344 1.465 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc(F)ccc1F ZINC000072397612 176395209 /nfs/dbraw/zinc/39/52/09/176395209.db2.gz CXRGNYDKPUQGJC-ZLKJLUDKSA-N 1 1 282.334 1.604 40 0 CDABMO CC[NH+]1CCN(C(=O)c2nnc3ccc(C)cc3n2)CC1 ZINC000046088954 423932712 /nfs/dbraw/zinc/93/27/12/423932712.db2.gz GLUIOVVTGDJLIL-UHFFFAOYSA-N 1 1 285.351 1.111 40 0 CDABMO C[N@@H+]1CCN(C(=O)CCn2ccnc2)C[C@H]1c1ccccc1 ZINC000257319505 277089530 /nfs/dbraw/zinc/08/95/30/277089530.db2.gz VSVUICNOBRBLPE-INIZCTEOSA-N 1 1 298.390 1.789 40 0 CDABMO C[N@H+]1CCN(C(=O)CCn2ccnc2)C[C@H]1c1ccccc1 ZINC000257319505 277089532 /nfs/dbraw/zinc/08/95/32/277089532.db2.gz VSVUICNOBRBLPE-INIZCTEOSA-N 1 1 298.390 1.789 40 0 CDABMO CNc1nc([C@H]2CCC[N@@H+]2C)nc2c1CCN(C(C)=O)C2 ZINC000072376593 277305534 /nfs/dbraw/zinc/30/55/34/277305534.db2.gz CXRQILSFZCBUAJ-CYBMUJFWSA-N 1 1 289.383 1.190 40 0 CDABMO CNc1nc([C@H]2CCC[N@H+]2C)nc2c1CCN(C(C)=O)C2 ZINC000072376593 277305535 /nfs/dbraw/zinc/30/55/35/277305535.db2.gz CXRQILSFZCBUAJ-CYBMUJFWSA-N 1 1 289.383 1.190 40 0 CDABMO CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2)[C@H]2OCCC[C@H]2C1 ZINC000097953483 527948856 /nfs/dbraw/zinc/94/88/56/527948856.db2.gz CJGGDFWPGFSKSH-ZNMIVQPWSA-N 1 1 289.379 1.311 40 0 CDABMO [NH3+]C1CCN(C(=O)c2cn[nH]c2-c2cccs2)CC1 ZINC000067172906 1171436525 /nfs/dbraw/zinc/43/65/25/1171436525.db2.gz PLKBHKCGMXDLFJ-UHFFFAOYSA-N 1 1 276.365 1.702 40 0 CDABMO COc1cccc([C@@H]([NH3+])c2nc(-c3cccnc3)n[nH]2)c1 ZINC000095533535 185007611 /nfs/dbraw/zinc/00/76/11/185007611.db2.gz GBYFTDREOPYYMS-CYBMUJFWSA-N 1 1 281.319 1.923 40 0 CDABMO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](CC2CC2)C1)N1CCCCO1 ZINC000096057684 185077219 /nfs/dbraw/zinc/07/72/19/185077219.db2.gz FFILXYFIOQTQGW-RRFJBIMHSA-N 1 1 294.395 1.430 40 0 CDABMO C[C@@H]1c2ncc(Cn3cccn3)n2CC[N@H+]1CC1CC1 ZINC000096062070 185082222 /nfs/dbraw/zinc/08/22/22/185082222.db2.gz HNQGEPWSHNTAHX-GFCCVEGCSA-N 1 1 271.368 1.915 40 0 CDABMO C[C@@H]1c2ncc(Cn3cccn3)n2CC[N@@H+]1CC1CC1 ZINC000096062070 185082223 /nfs/dbraw/zinc/08/22/23/185082223.db2.gz HNQGEPWSHNTAHX-GFCCVEGCSA-N 1 1 271.368 1.915 40 0 CDABMO C[C@H]1C(=O)NC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21 ZINC000096070429 185085227 /nfs/dbraw/zinc/08/52/27/185085227.db2.gz WNHFYIOAGIESKG-SNPRPXQTSA-N 1 1 258.365 1.543 40 0 CDABMO CCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccncc1)C2 ZINC000096070833 185087440 /nfs/dbraw/zinc/08/74/40/185087440.db2.gz CMEOEBAGWBHFHL-UHFFFAOYSA-N 1 1 289.379 1.152 40 0 CDABMO CNC(=O)CC[C@@]1(OC)CCC[N@@H+](Cc2[nH]cnc2C)C1 ZINC000585277690 342256306 /nfs/dbraw/zinc/25/63/06/342256306.db2.gz WZDZXPYPALZYRF-HNNXBMFYSA-N 1 1 294.399 1.225 40 0 CDABMO CCN1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000158168818 188361699 /nfs/dbraw/zinc/36/16/99/188361699.db2.gz WMZPXJDZGQYJMN-OIISXLGYSA-N 1 1 276.424 1.910 40 0 CDABMO CCc1ccc(CC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000158195177 188362246 /nfs/dbraw/zinc/36/22/46/188362246.db2.gz XDTXQKWQCIHAAQ-UHFFFAOYSA-N 1 1 290.407 1.630 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1 ZINC000004497851 356033159 /nfs/dbraw/zinc/03/31/59/356033159.db2.gz VQNJVEUIDSWMDN-AWEZNQCLSA-N 1 1 289.379 1.534 40 0 CDABMO O=C1O[C@H](c2ccc(F)cc2)C[C@@H]1C[NH+]1CCOCC1 ZINC000031795407 356770028 /nfs/dbraw/zinc/77/00/28/356770028.db2.gz NVVNTNPYGSSVPP-OCCSQVGLSA-N 1 1 279.311 1.762 40 0 CDABMO CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN1CCO ZINC000079414177 356994038 /nfs/dbraw/zinc/99/40/38/356994038.db2.gz NOEBHQIMRBNKGG-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO CCN(Cc1ccccc1)C[C@@H]1CCC[N@@H+]1CCO ZINC000079414177 356994043 /nfs/dbraw/zinc/99/40/43/356994043.db2.gz NOEBHQIMRBNKGG-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO CCN(Cc1ccccc1)C[C@@H]1CCC[N@H+]1CCO ZINC000079414177 356994047 /nfs/dbraw/zinc/99/40/47/356994047.db2.gz NOEBHQIMRBNKGG-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO Cc1cc(CN2CC3(C2)C[C@H](CO)C[N@H+]3CC2CC2)no1 ZINC000585093980 358099984 /nfs/dbraw/zinc/09/99/84/358099984.db2.gz WDQBAUSCDGQMRI-AWEZNQCLSA-N 1 1 291.395 1.262 40 0 CDABMO CN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096185834 358714348 /nfs/dbraw/zinc/71/43/48/358714348.db2.gz FLERGAUVFYFMMT-MGPQQGTHSA-N 1 1 293.367 1.283 40 0 CDABMO CN(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096185834 358714350 /nfs/dbraw/zinc/71/43/50/358714350.db2.gz FLERGAUVFYFMMT-MGPQQGTHSA-N 1 1 293.367 1.283 40 0 CDABMO COCCN1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1=O ZINC000096244977 358724533 /nfs/dbraw/zinc/72/45/33/358724533.db2.gz YTDVKUYTJZTJJH-STQMWFEESA-N 1 1 280.393 1.285 40 0 CDABMO COc1ncnc2c1CC[N@@H+](Cc1ccncc1)CC2 ZINC000096255566 358728755 /nfs/dbraw/zinc/72/87/55/358728755.db2.gz UBTREOMOFQJUGZ-UHFFFAOYSA-N 1 1 270.336 1.481 40 0 CDABMO C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000023253636 359218805 /nfs/dbraw/zinc/21/88/05/359218805.db2.gz MKZLAQZMLQSCCN-UHFFFAOYSA-N 1 1 267.760 1.526 40 0 CDABMO O[C@H](C[C@H]1CCC[N@H+]1CCn1cncn1)c1ccccc1 ZINC000076106976 366981159 /nfs/dbraw/zinc/98/11/59/366981159.db2.gz WRPKONRKGMSSNK-HZPDHXFCSA-N 1 1 286.379 1.866 40 0 CDABMO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCCCC1CCOCC1 ZINC000225500435 189754862 /nfs/dbraw/zinc/75/48/62/189754862.db2.gz FJARHYHWFLLGMB-UKRRQHHQSA-N 1 1 271.401 1.665 40 0 CDABMO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@@]1([NH3+])COC ZINC000225658357 368067401 /nfs/dbraw/zinc/06/74/01/368067401.db2.gz UZERVGVYDLMGFA-RDBSUJKOSA-N 1 1 283.393 1.239 40 0 CDABMO C[NH+](C)CC(=O)Nc1ccc2c(c1)[C@H](O)CC2(C)C ZINC000225498653 374558592 /nfs/dbraw/zinc/55/85/92/374558592.db2.gz KONYYTAQVXXQFC-CYBMUJFWSA-N 1 1 262.353 1.901 40 0 CDABMO c1cc(CC[C@H]2C[N@H+](C3CCOCC3)CCO2)ncn1 ZINC000257205496 190011330 /nfs/dbraw/zinc/01/13/30/190011330.db2.gz AZIWDGJCPKWNPP-HNNXBMFYSA-N 1 1 277.368 1.289 40 0 CDABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)c2cncs2)[C@H]1O ZINC000257203841 190011835 /nfs/dbraw/zinc/01/18/35/190011835.db2.gz ARXFOCKRSZYKBB-CKYFFXLPSA-N 1 1 292.364 1.142 40 0 CDABMO C[N@H+]1CCC[C@@](CCCc2cccnc2)(C(N)=O)C1 ZINC000257210790 190012258 /nfs/dbraw/zinc/01/22/58/190012258.db2.gz BWEOEEYYSKJUHQ-OAHLLOKOSA-N 1 1 261.369 1.602 40 0 CDABMO C[N@H+]1CCC[C@@H]2N(C(=O)c3ncccn3)CCC[C@@]21C ZINC000257220369 190014388 /nfs/dbraw/zinc/01/43/88/190014388.db2.gz DKNYCQAZLZOAAH-WFASDCNBSA-N 1 1 274.368 1.566 40 0 CDABMO Cc1cc(-c2nccnc2[C@H]2CCC[N@H+](C)C2)n[nH]1 ZINC000257234497 190017372 /nfs/dbraw/zinc/01/73/72/190017372.db2.gz GTUCWYWNYMRJOA-NSHDSACASA-N 1 1 257.341 1.984 40 0 CDABMO CO[C@H]1CC[N@H+](Cc2cc(C)on2)C[C@@]12CCCO2 ZINC000257247863 190019434 /nfs/dbraw/zinc/01/94/34/190019434.db2.gz JAXGZRHXWDNZSM-KBPBESRZSA-N 1 1 266.341 1.753 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2cc(C)on2)C[C@@]12CCCO2 ZINC000257247863 190019435 /nfs/dbraw/zinc/01/94/35/190019435.db2.gz JAXGZRHXWDNZSM-KBPBESRZSA-N 1 1 266.341 1.753 40 0 CDABMO C[N@H+]1CCC[C@@H]2N(C(=O)c3cnccn3)CCC[C@@]21C ZINC000257314192 190031838 /nfs/dbraw/zinc/03/18/38/190031838.db2.gz UVSDAWPSKPPJIL-ZFWWWQNUSA-N 1 1 274.368 1.566 40 0 CDABMO Cn1nccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257305266 190031049 /nfs/dbraw/zinc/03/10/49/190031049.db2.gz SPEXNVQVZHTLNB-HOCLYGCPSA-N 1 1 290.411 1.899 40 0 CDABMO C[N@@H+]1CCN(C(=O)CCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000257319506 190033447 /nfs/dbraw/zinc/03/34/47/190033447.db2.gz VSVUICNOBRBLPE-MRXNPFEDSA-N 1 1 298.390 1.789 40 0 CDABMO C[N@H+]1CCN(C(=O)CCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000257319506 190033448 /nfs/dbraw/zinc/03/34/48/190033448.db2.gz VSVUICNOBRBLPE-MRXNPFEDSA-N 1 1 298.390 1.789 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2c(C)nn(C)c2C)C[C@@]12CCCO2 ZINC000257336366 190036180 /nfs/dbraw/zinc/03/61/80/190036180.db2.gz YOBWGEWUYVUDRL-GJZGRUSLSA-N 1 1 279.384 1.417 40 0 CDABMO O[C@H]1CC=C2CC[N@H+]3Cc4cc5c(cc4[C@@H]1[C@H]23)OCO5 ZINC000005734932 285361352 /nfs/dbraw/zinc/36/13/52/285361352.db2.gz XKYSLILSDJBMCU-RCBQFDQVSA-N 1 1 271.316 1.778 40 0 CDABMO c1nc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c[nH]1 ZINC000096076137 398070470 /nfs/dbraw/zinc/07/04/70/398070470.db2.gz WXWXQIXRYBOLJK-CQSZACIVSA-N 1 1 270.340 1.055 40 0 CDABMO c1nc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c[nH]1 ZINC000096076137 398070472 /nfs/dbraw/zinc/07/04/72/398070472.db2.gz WXWXQIXRYBOLJK-CQSZACIVSA-N 1 1 270.340 1.055 40 0 CDABMO O=C1NCC[NH2+][C@@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000072343603 176371938 /nfs/dbraw/zinc/37/19/38/176371938.db2.gz QCDZZJNIHMYLRR-MRXNPFEDSA-N 1 1 266.344 1.984 40 0 CDABMO Cc1noc([C@@]2(C)CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072385832 176390412 /nfs/dbraw/zinc/39/04/12/176390412.db2.gz ASAIKGKLPNQMMW-AWEZNQCLSA-N 1 1 275.356 1.665 40 0 CDABMO Cc1ccc([C@H]([NH3+])c2nc(-c3cnccn3)n[nH]2)cc1 ZINC000095534108 280991240 /nfs/dbraw/zinc/99/12/40/280991240.db2.gz HEVZBFYERPWSJL-LBPRGKRZSA-N 1 1 266.308 1.618 40 0 CDABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(C)C ZINC000247990733 334293045 /nfs/dbraw/zinc/29/30/45/334293045.db2.gz KKADVFXPDFSQGJ-HNNXBMFYSA-N 1 1 275.396 1.327 40 0 CDABMO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@@H]1CCN2Cc1ccoc1 ZINC000096056471 185077450 /nfs/dbraw/zinc/07/74/50/185077450.db2.gz SEORHUZFGIYJHB-CABCVRRESA-N 1 1 291.395 1.407 40 0 CDABMO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CC2)cn1 ZINC000096055832 185076437 /nfs/dbraw/zinc/07/64/37/185076437.db2.gz NSSKAUNJVBORMZ-KGLIPLIRSA-N 1 1 274.368 1.119 40 0 CDABMO O[C@@H]1CC[N@@H+](Cc2ccncc2)[C@H]1Cc1cccnc1 ZINC000096061607 185083469 /nfs/dbraw/zinc/08/34/69/185083469.db2.gz KRYXOFLSEHCEET-JKSUJKDBSA-N 1 1 269.348 1.655 40 0 CDABMO O=C(c1[nH]nc2c1C[N@@H+](CC1CC1)CC2)N1CC=CC1 ZINC000096066596 185083832 /nfs/dbraw/zinc/08/38/32/185083832.db2.gz QGXRQVSTUKWOEQ-UHFFFAOYSA-N 1 1 272.352 1.190 40 0 CDABMO Cc1nnsc1C(=O)N1CCC[C@]12CCC[N@H+](C)CC2 ZINC000585100602 342212058 /nfs/dbraw/zinc/21/20/58/342212058.db2.gz PHOSJFJIXQLLJN-AWEZNQCLSA-N 1 1 294.424 1.937 40 0 CDABMO Cc1nc(-c2nccn2C)cc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000585178844 342232624 /nfs/dbraw/zinc/23/26/24/342232624.db2.gz OAGPRNUHIACEME-LBPRGKRZSA-N 1 1 271.368 1.995 40 0 CDABMO C[C@]1(c2ccccc2)CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000079097507 362141084 /nfs/dbraw/zinc/14/10/84/362141084.db2.gz PNRBYJWFJMKGFS-HNNXBMFYSA-N 1 1 296.436 1.589 40 0 CDABMO O=C(CC1CC1)NC[C@H]1C[N@H+](CC2CC2)Cc2cncn21 ZINC000247895142 362138324 /nfs/dbraw/zinc/13/83/24/362138324.db2.gz ZSGHOLRYBHSQRO-HNNXBMFYSA-N 1 1 288.395 1.566 40 0 CDABMO O=C(CC1CC1)NC[C@H]1C[N@@H+](CC2CC2)Cc2cncn21 ZINC000247895142 362138331 /nfs/dbraw/zinc/13/83/31/362138331.db2.gz ZSGHOLRYBHSQRO-HNNXBMFYSA-N 1 1 288.395 1.566 40 0 CDABMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(F)(F)F ZINC000254303151 342434338 /nfs/dbraw/zinc/43/43/38/342434338.db2.gz GHBNKDTUGOITPV-VHSXEESVSA-N 1 1 264.291 1.929 40 0 CDABMO C[N@H+]1CCN(c2ccncn2)C[C@H]1c1ccccc1 ZINC000257205634 362576859 /nfs/dbraw/zinc/57/68/59/362576859.db2.gz AZYNYWUGHGIXGI-AWEZNQCLSA-N 1 1 254.337 1.970 40 0 CDABMO C[N@H+]1CCCC[C@@H]1c1cncc(N2CCC(O)CC2)n1 ZINC000257219765 362578290 /nfs/dbraw/zinc/57/82/90/362578290.db2.gz DIAMEFHLHFWNEJ-CQSZACIVSA-N 1 1 276.384 1.595 40 0 CDABMO c1cc2nc(C3CC[NH+](Cc4c[nH]cn4)CC3)ccn2n1 ZINC000257344248 362588186 /nfs/dbraw/zinc/58/81/86/362588186.db2.gz ZWGKAZLLLPMZAF-UHFFFAOYSA-N 1 1 282.351 1.832 40 0 CDABMO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@@H]12)N1CCCC1 ZINC000107745895 186189301 /nfs/dbraw/zinc/18/93/01/186189301.db2.gz BKQUGMNGOMIKEN-CLLJXQQHSA-N 1 1 291.420 1.833 40 0 CDABMO O=C(C[C@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@@H]12)N1CCCC1 ZINC000107745895 186189302 /nfs/dbraw/zinc/18/93/02/186189302.db2.gz BKQUGMNGOMIKEN-CLLJXQQHSA-N 1 1 291.420 1.833 40 0 CDABMO CNC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000108527142 186220511 /nfs/dbraw/zinc/22/05/11/186220511.db2.gz FCDDBROQUOBPBC-GDBMZVCRSA-N 1 1 273.380 1.820 40 0 CDABMO CN(C)CC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000158241233 188364991 /nfs/dbraw/zinc/36/49/91/188364991.db2.gz GNSAWOXWFUBNOK-QGZVFWFLSA-N 1 1 289.423 1.719 40 0 CDABMO CC(C)Oc1cc(CCC(=O)N[C@H]2CCC[N@@H+](C)C2)on1 ZINC000019450528 356485780 /nfs/dbraw/zinc/48/57/80/356485780.db2.gz KVPBTGWGXRMVJM-LBPRGKRZSA-N 1 1 295.383 1.605 40 0 CDABMO CCOC(=O)C[C@H](c1ccccc1)[C@H]([NH3+])C(=O)OCC ZINC000019203266 356476349 /nfs/dbraw/zinc/47/63/49/356476349.db2.gz BZCRUBBKJPOKBI-OCCSQVGLSA-N 1 1 279.336 1.614 40 0 CDABMO CCOC(=O)C1=C(O)CC[N@H+](CCc2ccccc2)C1 ZINC000031297841 356762775 /nfs/dbraw/zinc/76/27/75/356762775.db2.gz BHRQUXYWDFJWFB-CQSZACIVSA-N 1 1 275.348 1.683 40 0 CDABMO CCOC(=O)C1=C(O)CC[N@@H+](CCc2ccccc2)C1 ZINC000031297841 356762782 /nfs/dbraw/zinc/76/27/82/356762782.db2.gz BHRQUXYWDFJWFB-CQSZACIVSA-N 1 1 275.348 1.683 40 0 CDABMO O=C([O-])C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393343 356989685 /nfs/dbraw/zinc/98/96/85/356989685.db2.gz IFEIQTGDRPSKFT-AWEZNQCLSA-N 1 1 262.353 1.573 40 0 CDABMO C[N@H+](CCO)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393501 356989717 /nfs/dbraw/zinc/98/97/17/356989717.db2.gz QHAPGQLMSXWGBI-MRXNPFEDSA-N 1 1 262.397 1.823 40 0 CDABMO C[N@@H+](CCO)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393501 356989722 /nfs/dbraw/zinc/98/97/22/356989722.db2.gz QHAPGQLMSXWGBI-MRXNPFEDSA-N 1 1 262.397 1.823 40 0 CDABMO CN(CCO)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393501 356989727 /nfs/dbraw/zinc/98/97/27/356989727.db2.gz QHAPGQLMSXWGBI-MRXNPFEDSA-N 1 1 262.397 1.823 40 0 CDABMO CN(CCO)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393501 356989733 /nfs/dbraw/zinc/98/97/33/356989733.db2.gz QHAPGQLMSXWGBI-MRXNPFEDSA-N 1 1 262.397 1.823 40 0 CDABMO COC(=O)c1ccc(NC(=O)CC[NH+]2CCOCC2)cc1 ZINC000019592545 358106783 /nfs/dbraw/zinc/10/67/83/358106783.db2.gz BBFSXOGFQFLEDG-UHFFFAOYSA-N 1 1 292.335 1.134 40 0 CDABMO COc1cccc(C[NH2+][C@@H](C)CS(C)(=O)=O)c1F ZINC000165861729 358182914 /nfs/dbraw/zinc/18/29/14/358182914.db2.gz RFGFDQKGRDWPBB-VIFPVBQESA-N 1 1 275.345 1.357 40 0 CDABMO O=C(NC[C@@H]1OC[C@@H]2C[N@@H+](CC3CC3)CC[C@H]12)C1CC1 ZINC000096057592 358707345 /nfs/dbraw/zinc/70/73/45/358707345.db2.gz AVNCPDUIIZAOMO-KKUMJFAQSA-N 1 1 278.396 1.260 40 0 CDABMO Fc1cnc(N2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)nc1 ZINC000096161576 358711216 /nfs/dbraw/zinc/71/12/16/358711216.db2.gz UOPJXRQVGOPWQL-BETUJISGSA-N 1 1 299.353 1.579 40 0 CDABMO O=C(c1ccncc1F)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000096184415 358713934 /nfs/dbraw/zinc/71/39/34/358713934.db2.gz FPUDBORNLQJQKA-LSDHHAIUSA-N 1 1 289.354 1.920 40 0 CDABMO Cc1ccc(C[N@@H+]2CC[C@H]([NH+](C)C)C[C@@H]2C(=O)[O-])cc1 ZINC000096198693 358717194 /nfs/dbraw/zinc/71/71/94/358717194.db2.gz HQRWHMJJEVALCL-LSDHHAIUSA-N 1 1 276.380 1.974 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1nc(C)cs1)CC[C@H]2OC ZINC000096209442 358720877 /nfs/dbraw/zinc/72/08/77/358720877.db2.gz XJSKFCPAAGPFPQ-BFHYXJOUSA-N 1 1 295.452 1.993 40 0 CDABMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(OC)cc2)CC1 ZINC000042359632 358935495 /nfs/dbraw/zinc/93/54/95/358935495.db2.gz ZTJSZAQYLLDKAA-ZDUSSCGKSA-N 1 1 292.379 1.627 40 0 CDABMO C[NH2+][C@H](C(N)=O)c1cc(Br)ccc1F ZINC000037869885 359462855 /nfs/dbraw/zinc/46/28/55/359462855.db2.gz AGTOHMOOXRGRLT-QMMMGPOBSA-N 1 1 261.094 1.334 40 0 CDABMO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000028233024 359492934 /nfs/dbraw/zinc/49/29/34/359492934.db2.gz DZBXGWZQHYIHFT-MRVPVSSYSA-N 1 1 288.273 1.349 40 0 CDABMO O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000028233024 359492939 /nfs/dbraw/zinc/49/29/39/359492939.db2.gz DZBXGWZQHYIHFT-MRVPVSSYSA-N 1 1 288.273 1.349 40 0 CDABMO O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000028233024 359492941 /nfs/dbraw/zinc/49/29/41/359492941.db2.gz DZBXGWZQHYIHFT-MRVPVSSYSA-N 1 1 288.273 1.349 40 0 CDABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](C)CC[C@@]1(C)O ZINC000514289402 360125184 /nfs/dbraw/zinc/12/51/84/360125184.db2.gz KCZGGDSWEFYEHZ-SOUVJXGZSA-N 1 1 262.353 1.319 40 0 biogenic,in-vitro CDABMO O=c1[nH][nH]c2c1[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccccc1 ZINC000229941445 367490644 /nfs/dbraw/zinc/49/06/44/367490644.db2.gz BSPOJNBSPUPMFB-XBFCOCLRSA-N 1 1 255.321 1.525 40 0 CDABMO CN1CCN(C2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000019889857 374823073 /nfs/dbraw/zinc/82/30/73/374823073.db2.gz LNKXBJRJYVFVEV-IKGGRYGDSA-N 1 1 289.467 1.910 40 0 CDABMO CCn1cc(C[NH2+]Cc2cnn(CC)c2F)c(C)n1 ZINC000256053623 190004906 /nfs/dbraw/zinc/00/49/06/190004906.db2.gz SDUWVCLXGOQMGA-UHFFFAOYSA-N 1 1 265.336 1.857 40 0 CDABMO CCCn1cc(C[NH2+]Cc2cnn(CC)c2F)cn1 ZINC000256055123 190005255 /nfs/dbraw/zinc/00/52/55/190005255.db2.gz ZHMDPVKKDPETRJ-UHFFFAOYSA-N 1 1 265.336 1.938 40 0 CDABMO CCn1ncc(C)c1C[NH2+]Cc1ccnn1CCF ZINC000256051045 190003964 /nfs/dbraw/zinc/00/39/64/190003964.db2.gz HMLJLBDQNFWWRY-UHFFFAOYSA-N 1 1 265.336 1.667 40 0 CDABMO Cc1c(C[NH2+]Cc2ccnn2C(F)F)cnn1C ZINC000256053451 190004694 /nfs/dbraw/zinc/00/46/94/190004694.db2.gz RNCZDXTXCPDGQJ-UHFFFAOYSA-N 1 1 255.272 1.610 40 0 CDABMO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)CC[C@@H]1O ZINC000257247854 190019362 /nfs/dbraw/zinc/01/93/62/190019362.db2.gz JAWCGXPEYNKNGG-KBPBESRZSA-N 1 1 296.436 1.846 40 0 CDABMO COCC[N@H+]1CCC[C@H](c2nccnc2Cl)C1 ZINC000257263224 190022408 /nfs/dbraw/zinc/02/24/08/190022408.db2.gz LOYPOCQMISLGSV-JTQLQIEISA-N 1 1 255.749 1.956 40 0 CDABMO C[N@H+]1CCC[C@@H]2N(C(=O)Cn3ccnc3)CCC[C@@]21C ZINC000257295321 190028630 /nfs/dbraw/zinc/02/86/30/190028630.db2.gz QXWKFRWISHAPOC-ZFWWWQNUSA-N 1 1 276.384 1.358 40 0 CDABMO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2N1 ZINC000257319050 190033209 /nfs/dbraw/zinc/03/32/09/190033209.db2.gz VQLBJOSZFDVFSE-LSDHHAIUSA-N 1 1 285.347 1.257 40 0 CDABMO C[NH+]1CCN(c2ncc(NC(=O)C(C)(C)C)cn2)CC1 ZINC000224250756 376317452 /nfs/dbraw/zinc/31/74/52/376317452.db2.gz CGERBIWEPHSXBV-UHFFFAOYSA-N 1 1 277.372 1.213 40 0 CDABMO OCC[N@@H+](C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393538 285254899 /nfs/dbraw/zinc/25/48/99/285254899.db2.gz OMPQKCRADZNUCA-MRXNPFEDSA-N 1 1 260.381 1.718 40 0 CDABMO OCCN(C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393538 285254901 /nfs/dbraw/zinc/25/49/01/285254901.db2.gz OMPQKCRADZNUCA-MRXNPFEDSA-N 1 1 260.381 1.718 40 0 CDABMO OCCN(C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393538 285254905 /nfs/dbraw/zinc/25/49/05/285254905.db2.gz OMPQKCRADZNUCA-MRXNPFEDSA-N 1 1 260.381 1.718 40 0 CDABMO O=C(C1CC1)N1C[C@@H]2CC[N@@H+](Cc3cccnc3)[C@@H]2C1 ZINC000096246080 256832722 /nfs/dbraw/zinc/83/27/22/256832722.db2.gz MGBCSJYQBXLBHZ-LSDHHAIUSA-N 1 1 271.364 1.524 40 0 CDABMO Cn1nc(-c2cccs2)cc1CNCC[NH+](C)C ZINC000072226271 390626015 /nfs/dbraw/zinc/62/60/15/390626015.db2.gz ZMVUYTIHCNKVKB-UHFFFAOYSA-N 1 1 264.398 1.800 40 0 CDABMO Cc1nc(N)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000072415025 390628940 /nfs/dbraw/zinc/62/89/40/390628940.db2.gz JNEMQTIQQKJIBP-UHFFFAOYSA-N 1 1 254.337 1.926 40 0 CDABMO Cc1nc(N)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000072415025 390628942 /nfs/dbraw/zinc/62/89/42/390628942.db2.gz JNEMQTIQQKJIBP-UHFFFAOYSA-N 1 1 254.337 1.926 40 0 CDABMO COC[C@H]1CC2(C[N@H+]1C)CCN(c1ncccn1)CC2 ZINC000096206507 390913442 /nfs/dbraw/zinc/91/34/42/390913442.db2.gz VXENXUWBSNLJNX-CYBMUJFWSA-N 1 1 276.384 1.414 40 0 CDABMO COC[C@@H](O)C[N@H+]1C[C@H](c2ccsc2)C[C@@H]1C ZINC000096421810 391189191 /nfs/dbraw/zinc/18/91/91/391189191.db2.gz CEZFHQKVRBAQLO-UHTWSYAYSA-N 1 1 255.383 1.933 40 0 CDABMO CC[C@@H]1C[N@@H+](CC2(O)CCSCC2)CCCO1 ZINC000660468576 413149482 /nfs/dbraw/zinc/14/94/82/413149482.db2.gz KGGNNGAHMDKBRF-GFCCVEGCSA-N 1 1 259.415 1.745 40 0 CDABMO Cn1ccnc1CNc1cncc([C@@H]2CCCC[N@H+]2C)n1 ZINC000072366228 176381315 /nfs/dbraw/zinc/38/13/15/176381315.db2.gz NWHXBBCXGXUHFE-ZDUSSCGKSA-N 1 1 286.383 1.979 40 0 CDABMO C[C@]1(C(N)=O)C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072379655 176386490 /nfs/dbraw/zinc/38/64/90/176386490.db2.gz GTJTWKMNYWROPY-MRXNPFEDSA-N 1 1 285.347 1.311 40 0 CDABMO C[C@]1(C(N)=O)C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072379655 176386492 /nfs/dbraw/zinc/38/64/92/176386492.db2.gz GTJTWKMNYWROPY-MRXNPFEDSA-N 1 1 285.347 1.311 40 0 CDABMO c1c2ccccn2nc1-c1nnc(C[NH+]2CCCC2)o1 ZINC000046087236 423942306 /nfs/dbraw/zinc/94/23/06/423942306.db2.gz ZTFYMVVQDLJKAI-UHFFFAOYSA-N 1 1 269.308 1.980 40 0 CDABMO CC[C@@H]1COC(C)(C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000652760107 424028794 /nfs/dbraw/zinc/02/87/94/424028794.db2.gz TYPUFMAWVZQINL-VXGBXAGGSA-N 1 1 254.374 1.497 40 0 CDABMO CCN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCO)C1 ZINC000079407997 279004786 /nfs/dbraw/zinc/00/47/86/279004786.db2.gz INVANCCBUSPUNE-LBPRGKRZSA-N 1 1 272.389 1.700 40 0 CDABMO O=c1[nH][nH]c2c1[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccccc1 ZINC000245227136 334185355 /nfs/dbraw/zinc/18/53/55/334185355.db2.gz BSPOJNBSPUPMFB-KWCYVHTRSA-N 1 1 255.321 1.525 40 0 CDABMO COC(=O)[C@@H]1CC(c2cnc(N3CCCCC3)nc2)=[NH+]O1 ZINC000226080890 1160425527 /nfs/dbraw/zinc/42/55/27/1160425527.db2.gz XVAJCUOKFDKVNA-LBPRGKRZSA-N 1 1 290.323 1.133 40 0 CDABMO [NH3+][C@H](c1nc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC000095533410 185007065 /nfs/dbraw/zinc/00/70/65/185007065.db2.gz ULMJRVVTJMWRFF-LBPRGKRZSA-N 1 1 251.293 1.915 40 0 CDABMO [NH3+][C@H](c1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000095533406 185007267 /nfs/dbraw/zinc/00/72/67/185007267.db2.gz LBGAEMWNQASVEU-LBPRGKRZSA-N 1 1 251.293 1.915 40 0 CDABMO COCC[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041741 185070115 /nfs/dbraw/zinc/07/01/15/185070115.db2.gz KQIHHUURAFJDGW-ARFHVFGLSA-N 1 1 292.379 1.476 40 0 CDABMO O=C(CC1CC1)NCc1cn2c(n1)C[N@H+](CC1CC1)CC2 ZINC000096059458 185079771 /nfs/dbraw/zinc/07/97/71/185079771.db2.gz HGWKPOOHWREMFZ-UHFFFAOYSA-N 1 1 288.395 1.525 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@@]23CCN(c2cnccn2)C3)cn1 ZINC000096076113 185090334 /nfs/dbraw/zinc/09/03/34/185090334.db2.gz QMUVNDOMDZNQKU-OAHLLOKOSA-N 1 1 284.367 1.065 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@@]23CCN(c2cnccn2)C3)cn1 ZINC000096076113 185090335 /nfs/dbraw/zinc/09/03/35/185090335.db2.gz QMUVNDOMDZNQKU-OAHLLOKOSA-N 1 1 284.367 1.065 40 0 CDABMO CNC(=O)C[N@H+]1CC[C@@H]2CN(c3ccccc3F)C[C@@H]2C1 ZINC000096081421 185091063 /nfs/dbraw/zinc/09/10/63/185091063.db2.gz PJCCFZXACGRFLF-OLZOCXBDSA-N 1 1 291.370 1.330 40 0 CDABMO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(C)o3)C[C@@H]2C1 ZINC000096107975 185099527 /nfs/dbraw/zinc/09/95/27/185099527.db2.gz XICHCSRRJTXHMH-GOEBONIOSA-N 1 1 294.395 1.367 40 0 CDABMO O=C(N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)C1(F)CC1 ZINC000585108110 342213287 /nfs/dbraw/zinc/21/32/87/342213287.db2.gz DMMLFMGQNMSFDN-UONOGXRCSA-N 1 1 289.354 1.759 40 0 CDABMO O=C(N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1)C1(F)CC1 ZINC000585108110 342213288 /nfs/dbraw/zinc/21/32/88/342213288.db2.gz DMMLFMGQNMSFDN-UONOGXRCSA-N 1 1 289.354 1.759 40 0 CDABMO C[C@H](c1ccccc1)[N@H+]1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC000585103278 342212725 /nfs/dbraw/zinc/21/27/25/342212725.db2.gz ARAHLTJTEMZTKF-RHSMWYFYSA-N 1 1 288.391 1.928 40 0 CDABMO CN(C)C(=O)CC[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000585276378 342256280 /nfs/dbraw/zinc/25/62/80/342256280.db2.gz NYFCYNPSOZBGQU-KRWDZBQOSA-N 1 1 290.407 1.882 40 0 CDABMO Cc1cnn(C)c1C[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC000585282103 342258433 /nfs/dbraw/zinc/25/84/33/342258433.db2.gz AJDVZTMUFUFLOF-CQSZACIVSA-N 1 1 263.341 1.400 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccccc2F)[C@@H]1O ZINC000585290806 342258918 /nfs/dbraw/zinc/25/89/18/342258918.db2.gz GNAWELDLXJWVSJ-MCIONIFRSA-N 1 1 269.316 1.032 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccccc2F)[C@@H]1O ZINC000585290806 342258919 /nfs/dbraw/zinc/25/89/19/342258919.db2.gz GNAWELDLXJWVSJ-MCIONIFRSA-N 1 1 269.316 1.032 40 0 CDABMO CC(=O)N1CC[NH2+][C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000216760039 344826700 /nfs/dbraw/zinc/82/67/00/344826700.db2.gz ZXJNMUBHWKJRTO-OAHLLOKOSA-N 1 1 262.353 1.967 40 0 CDABMO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccccn2)N1c1cncnc1 ZINC000107800245 186190893 /nfs/dbraw/zinc/19/08/93/186190893.db2.gz XJBGVXAKVUSHQZ-HUUCEWRRSA-N 1 1 295.346 1.251 40 0 CDABMO C[C@@H]1CN(C(=O)NCC2=CCCCC2)C[C@H](C)[N@@H+]1CCO ZINC000333981461 363305630 /nfs/dbraw/zinc/30/56/30/363305630.db2.gz ASMLHRFISYMMLP-OKILXGFUSA-N 1 1 295.427 1.583 40 0 CDABMO C1=C[C@@H]2C[C@H]1[C@@H]1C[N@@H+](CCCN3CCOCC3)C[C@@H]21 ZINC000005848139 356061761 /nfs/dbraw/zinc/06/17/61/356061761.db2.gz OGOKAEYVYPCQOA-FZKCQIBNSA-N 1 1 262.397 1.463 40 0 CDABMO CCCc1ncc(C[N@@H+]2CCC[C@]2(C)C(=O)N(C)C)cn1 ZINC000019746505 356499113 /nfs/dbraw/zinc/49/91/13/356499113.db2.gz HCTUBGPPQGYQOW-MRXNPFEDSA-N 1 1 290.411 1.872 40 0 CDABMO CCCc1ncc(C[N@H+]2CCC[C@]2(C)C(=O)N(C)C)cn1 ZINC000019746505 356499117 /nfs/dbraw/zinc/49/91/17/356499117.db2.gz HCTUBGPPQGYQOW-MRXNPFEDSA-N 1 1 290.411 1.872 40 0 CDABMO CNC(=O)[C@]1(C)C[N@H+](C2CCCCCC2)CCO1 ZINC000072379690 357830598 /nfs/dbraw/zinc/83/05/98/357830598.db2.gz RYFFUGPWMJVHKD-AWEZNQCLSA-N 1 1 254.374 1.546 40 0 CDABMO c1cc(C[N@@H+]2C[C@H](OCC3CC3)[C@H]3COC[C@H]32)ccn1 ZINC000096185027 358714300 /nfs/dbraw/zinc/71/43/00/358714300.db2.gz ZZPUKIUMYQRRGD-XHSDSOJGSA-N 1 1 274.364 1.707 40 0 CDABMO c1cc(C[N@@H+]2CCc3ncc(Cn4cncn4)n3CC2)co1 ZINC000096196981 358716549 /nfs/dbraw/zinc/71/65/49/358716549.db2.gz HSVNXGZSSYCJHP-UHFFFAOYSA-N 1 1 298.350 1.174 40 0 CDABMO Cc1cc(C(=O)N2CCN(C)c3[nH+]c(C)ccc3C2)no1 ZINC000096199003 358717221 /nfs/dbraw/zinc/71/72/21/358717221.db2.gz PBJSUWFCVRGXTQ-UHFFFAOYSA-N 1 1 286.335 1.779 40 0 CDABMO C[N@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000096218469 358722301 /nfs/dbraw/zinc/72/23/01/358722301.db2.gz FDVWGPZDLZUXAK-DOTOQJQBSA-N 1 1 292.423 1.603 40 0 CDABMO CC[N@H+]1CCO[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096220570 358723300 /nfs/dbraw/zinc/72/33/00/358723300.db2.gz JYGJUHXRUUIVRJ-DZGCQCFKSA-N 1 1 261.369 1.234 40 0 CDABMO Cc1cccc(C[N@@H+]2CC[C@]3(C[C@@H]3C(=O)N(C)C)C2)n1 ZINC000096228626 358724117 /nfs/dbraw/zinc/72/41/17/358724117.db2.gz SYWZZOGEMGYICF-ZBFHGGJFSA-N 1 1 273.380 1.690 40 0 CDABMO Cn1cccc1C[N@H+]1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1 ZINC000096245171 358725434 /nfs/dbraw/zinc/72/54/34/358725434.db2.gz UWDHUJCDIMAMQO-BBRMVZONSA-N 1 1 296.374 1.515 40 0 CDABMO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000131078084 365475348 /nfs/dbraw/zinc/47/53/48/365475348.db2.gz HWDNLMDTPAGSJG-KBPBESRZSA-N 1 1 299.378 1.401 40 0 CDABMO Cc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000027932605 375163077 /nfs/dbraw/zinc/16/30/77/375163077.db2.gz WOFKQVMFAMGTIH-NSHDSACASA-N 1 1 250.367 1.977 40 0 CDABMO C[N@H+]1CCC[C@](CCCc2ccncc2)(C(N)=O)C1 ZINC000257201115 190010526 /nfs/dbraw/zinc/01/05/26/190010526.db2.gz AGJFLBSCXXUWDA-HNNXBMFYSA-N 1 1 261.369 1.602 40 0 CDABMO COc1ccccc1[C@@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1C ZINC000257231692 190015969 /nfs/dbraw/zinc/01/59/69/190015969.db2.gz GHWKXSNRYJYXFQ-AWEZNQCLSA-N 1 1 286.379 1.907 40 0 CDABMO COc1ccccc1[C@@H]1CN(Cc2ncc[nH]2)CC[N@H+]1C ZINC000257231692 190015970 /nfs/dbraw/zinc/01/59/70/190015970.db2.gz GHWKXSNRYJYXFQ-AWEZNQCLSA-N 1 1 286.379 1.907 40 0 CDABMO CNc1cncc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257305191 190031202 /nfs/dbraw/zinc/03/12/02/190031202.db2.gz SOUWHDYZHCTECO-CYBMUJFWSA-N 1 1 272.356 1.589 40 0 CDABMO CNc1cncc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257305191 190031203 /nfs/dbraw/zinc/03/12/03/190031203.db2.gz SOUWHDYZHCTECO-CYBMUJFWSA-N 1 1 272.356 1.589 40 0 CDABMO CCn1cc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cn1 ZINC000257311945 190032113 /nfs/dbraw/zinc/03/21/13/190032113.db2.gz ULSMZPVGUKLCDE-HZPDHXFCSA-N 1 1 287.363 1.527 40 0 CDABMO CCn1cc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cn1 ZINC000257311945 190032114 /nfs/dbraw/zinc/03/21/14/190032114.db2.gz ULSMZPVGUKLCDE-HZPDHXFCSA-N 1 1 287.363 1.527 40 0 CDABMO COc1cccc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c1F ZINC000257344736 190037824 /nfs/dbraw/zinc/03/78/24/190037824.db2.gz ZYMARGQCMHRKTN-HOCLYGCPSA-N 1 1 295.354 1.950 40 0 CDABMO OCc1cc(CC2([NH2+]Cc3cccs3)COC2)no1 ZINC000067898079 377285770 /nfs/dbraw/zinc/28/57/70/377285770.db2.gz WGMSQQUYFAYRFN-UHFFFAOYSA-N 1 1 280.349 1.330 40 0 biogenic,in-vitro CDABMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccc(F)cc1 ZINC000067897193 377286702 /nfs/dbraw/zinc/28/67/02/377286702.db2.gz GXFZIPWPBVOUHM-CABCVRRESA-N 1 1 292.354 1.646 40 0 biogenic,in-vitro CDABMO O=C1CCCC(=O)N1[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005382570 296316852 /nfs/dbraw/zinc/31/68/52/296316852.db2.gz RIXNCQKSTKRRRI-RYUDHWBXSA-N 1 1 250.342 1.542 40 0 biogenic,in-vitro CDABMO COCCn1cnnc1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000072359879 285194692 /nfs/dbraw/zinc/19/46/92/285194692.db2.gz DMQJZFPJQKXYRK-GFCCVEGCSA-N 1 1 252.362 1.512 40 0 CDABMO C[NH+](C)CCO[C@H]1CN(Cc2cccs2)[C@@H]2COC[C@H]12 ZINC000096184983 256814735 /nfs/dbraw/zinc/81/47/35/256814735.db2.gz MEYXTQGVSAAUTR-ZNMIVQPWSA-N 1 1 296.436 1.526 40 0 CDABMO CN1CCN(c2ncccc2[C@@H]2CCCC[NH2+]2)CC1 ZINC000072216594 390622153 /nfs/dbraw/zinc/62/21/53/390622153.db2.gz ZFNFZKBQZGLDCL-AWEZNQCLSA-N 1 1 260.385 1.648 40 0 CDABMO CC[C@H]([NH3+])c1cnc(N2CCN(CC)CC2)c(C)c1 ZINC000072222593 390623372 /nfs/dbraw/zinc/62/33/72/390623372.db2.gz ZODSKVUQJDKGOC-AWEZNQCLSA-N 1 1 262.401 1.942 40 0 CDABMO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCOCC2)O1 ZINC000096057330 390912473 /nfs/dbraw/zinc/91/24/73/390912473.db2.gz CILXONZQQBKPDG-KFWWJZLASA-N 1 1 296.411 1.123 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000022250847 171382399 /nfs/dbraw/zinc/38/23/99/171382399.db2.gz RVVILAUWEXVPFO-UHFFFAOYSA-N 1 1 276.336 1.236 40 0 CDABMO CC[N@H+]1CCC[C@@](O)(CNCc2ccc3c(c2)OCO3)C1 ZINC000046087459 175391939 /nfs/dbraw/zinc/39/19/39/175391939.db2.gz WXKCFHMOMCMXJD-MRXNPFEDSA-N 1 1 292.379 1.352 40 0 CDABMO CN(C)C(=O)[C@@]1(C)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000072355266 176374811 /nfs/dbraw/zinc/37/48/11/176374811.db2.gz GOHZYACPGIPWCY-AWEZNQCLSA-N 1 1 264.373 1.110 40 0 CDABMO Cn1ccnc1CNc1cncc([C@H]2CCCC[N@H+]2C)n1 ZINC000072366229 176381059 /nfs/dbraw/zinc/38/10/59/176381059.db2.gz NWHXBBCXGXUHFE-CYBMUJFWSA-N 1 1 286.383 1.979 40 0 CDABMO CC(=O)N1CCC(Cc2nc(N(C)C)cc(C)[nH+]2)CC1 ZINC000072370193 176384037 /nfs/dbraw/zinc/38/40/37/176384037.db2.gz DXADTHOGMDXENV-UHFFFAOYSA-N 1 1 276.384 1.652 40 0 CDABMO C[N@H+]1CCC[C@H](Cc2cncc(C(=O)NC3CC3)c2)C1 ZINC000072369335 176384222 /nfs/dbraw/zinc/38/42/22/176384222.db2.gz QEVSYBRFOFTOTN-GFCCVEGCSA-N 1 1 273.380 1.858 40 0 CDABMO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000072370004 176384231 /nfs/dbraw/zinc/38/42/31/176384231.db2.gz LHNABXJTALOKTQ-ZDUSSCGKSA-N 1 1 299.378 1.496 40 0 CDABMO OCC[NH+]1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000077247108 424185974 /nfs/dbraw/zinc/18/59/74/424185974.db2.gz JODZKJNKLSHRMK-UHFFFAOYSA-N 1 1 282.815 1.883 40 0 CDABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072793586 567903240 /nfs/dbraw/zinc/90/32/40/567903240.db2.gz BHQNAKIHLCMYIZ-NSHDSACASA-N 1 1 261.325 1.066 40 0 CDABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](O)Cc1ccccc1)C2 ZINC000100900401 1174640177 /nfs/dbraw/zinc/64/01/77/1174640177.db2.gz FNRXUEYLFZLOEZ-QKPAOTATSA-N 1 1 289.375 1.758 40 0 in-vitro CDABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000095533645 185006920 /nfs/dbraw/zinc/00/69/20/185006920.db2.gz WOCFFQJLLDZEST-CYBMUJFWSA-N 1 1 281.319 1.923 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@]2(CO1)CCC[N@@H+](Cc1ccco1)C2 ZINC000096048876 185072511 /nfs/dbraw/zinc/07/25/11/185072511.db2.gz DWKSADKZWDYAEX-GOEBONIOSA-N 1 1 292.379 1.739 40 0 CDABMO O[C@@H]1CC[N@H+](Cc2nccs2)[C@H]1Cc1cccnc1 ZINC000096061601 185082495 /nfs/dbraw/zinc/08/24/95/185082495.db2.gz FNJVYXVBSCVPKU-QWHCGFSZSA-N 1 1 275.377 1.716 40 0 CDABMO O[C@@H]1CC[N@@H+](Cc2nccs2)[C@H]1Cc1cccnc1 ZINC000096061601 185082498 /nfs/dbraw/zinc/08/24/98/185082498.db2.gz FNJVYXVBSCVPKU-QWHCGFSZSA-N 1 1 275.377 1.716 40 0 CDABMO C[N@H+]1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(F)cc1 ZINC000096063940 185084082 /nfs/dbraw/zinc/08/40/82/185084082.db2.gz FHFKWOQIFGGNDT-STQMWFEESA-N 1 1 284.356 1.293 40 0 CDABMO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]cn1)C2 ZINC000096073418 185087737 /nfs/dbraw/zinc/08/77/37/185087737.db2.gz CIRNHUGSLSPKBC-UKRRQHHQSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH]cn1)C2 ZINC000096073418 185087739 /nfs/dbraw/zinc/08/77/39/185087739.db2.gz CIRNHUGSLSPKBC-UKRRQHHQSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnc[nH]1)C2 ZINC000096073418 185087743 /nfs/dbraw/zinc/08/77/43/185087743.db2.gz CIRNHUGSLSPKBC-UKRRQHHQSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC000096073418 185087745 /nfs/dbraw/zinc/08/77/45/185087745.db2.gz CIRNHUGSLSPKBC-UKRRQHHQSA-N 1 1 279.384 1.817 40 0 CDABMO CN(C)C[C@]12COC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000096108255 185099930 /nfs/dbraw/zinc/09/99/30/185099930.db2.gz SJLLYBWQQUNAOM-SJORKVTESA-N 1 1 274.408 1.739 40 0 CDABMO CN(C)C[C@]12COC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000096108255 185099932 /nfs/dbraw/zinc/09/99/32/185099932.db2.gz SJLLYBWQQUNAOM-SJORKVTESA-N 1 1 274.408 1.739 40 0 CDABMO CN(C)Cc1cc([C@H]2CCCN2C(=O)CC[NH3+])ccn1 ZINC000257305081 282145644 /nfs/dbraw/zinc/14/56/44/282145644.db2.gz SOJFNVCDGNISIX-CQSZACIVSA-N 1 1 276.384 1.156 40 0 CDABMO C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104100 342212468 /nfs/dbraw/zinc/21/24/68/342212468.db2.gz JBARUBIYIVRRAO-INIZCTEOSA-N 1 1 274.364 1.367 40 0 CDABMO CN(C)C(=O)CC[C@@]1(O)CCC[N@@H+](Cc2ccccn2)C1 ZINC000585276056 342256235 /nfs/dbraw/zinc/25/62/35/342256235.db2.gz LNUSZTUXVWPUNO-INIZCTEOSA-N 1 1 291.395 1.277 40 0 CDABMO O[C@@]1(COc2cccc(F)c2)COCC[N@H+](C2CCC2)C1 ZINC000585284279 342258590 /nfs/dbraw/zinc/25/85/90/342258590.db2.gz WNZHHISZDTVASZ-MRXNPFEDSA-N 1 1 295.354 1.820 40 0 CDABMO O=C(c1ccco1)N1CC[N@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000247822708 362133333 /nfs/dbraw/zinc/13/33/33/362133333.db2.gz IAXBEFAQFSYVPF-UONOGXRCSA-N 1 1 290.363 1.605 40 0 CDABMO CCOC(=O)c1ccc(CN2CC[NH+](C)CC2)o1 ZINC000143485471 362209829 /nfs/dbraw/zinc/20/98/29/362209829.db2.gz ISDLFMNYNMGVAZ-UHFFFAOYSA-N 1 1 252.314 1.204 40 0 CDABMO CNc1cc(CC[C@@H]2CN(c3ncccn3)CCO2)cc[nH+]1 ZINC000257255366 362580530 /nfs/dbraw/zinc/58/05/30/362580530.db2.gz KHECJXAXKNCUQS-CQSZACIVSA-N 1 1 299.378 1.751 40 0 CDABMO C[N@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccc[nH]c1=O ZINC000257258504 362580667 /nfs/dbraw/zinc/58/06/67/362580667.db2.gz KUHGDBXRCYATMA-ZIAGYGMSSA-N 1 1 289.379 1.876 40 0 CDABMO C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(F)cc2)CC1 ZINC000085466917 179072276 /nfs/dbraw/zinc/07/22/76/179072276.db2.gz ZIQWSYQESWMPIW-GFCCVEGCSA-N 1 1 295.358 1.034 40 0 CDABMO COC(=O)[C@H]([NH3+])CCc1cnc2cc(C)ccc2c1 ZINC000256053798 350909509 /nfs/dbraw/zinc/90/95/09/350909509.db2.gz SXDWSNIEXJDFQH-CYBMUJFWSA-N 1 1 258.321 1.976 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC000004476514 356031959 /nfs/dbraw/zinc/03/19/59/356031959.db2.gz RVGUQPGNMZYGQO-ZDUSSCGKSA-N 1 1 275.352 1.226 40 0 CDABMO COc1cccc(C[N@H+]2CCc3nc(C)[nH]c(=O)c3CC2)c1 ZINC000019286444 356479719 /nfs/dbraw/zinc/47/97/19/356479719.db2.gz DCGZQPXKPOXLBG-UHFFFAOYSA-N 1 1 299.374 1.688 40 0 CDABMO CC[N@@H+](CCO)C1CCN(Cc2ccccc2)CC1 ZINC000079393515 356989384 /nfs/dbraw/zinc/98/93/84/356989384.db2.gz LIPHVBWAPJPGRY-UHFFFAOYSA-N 1 1 262.397 1.965 40 0 CDABMO CC(C)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404250 356989910 /nfs/dbraw/zinc/98/99/10/356989910.db2.gz RBWCFZVBMBVXRM-INIZCTEOSA-N 1 1 289.423 1.704 40 0 CDABMO c1coc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000062717813 538870829 /nfs/dbraw/zinc/87/08/29/538870829.db2.gz RAMJVKZBVJOYFF-UHFFFAOYSA-N 1 1 258.325 1.960 40 0 CDABMO O=C(COC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCOCC1 ZINC000000035447 357751574 /nfs/dbraw/zinc/75/15/74/357751574.db2.gz UZCRBOXJXRSIAX-GJZGRUSLSA-N 1 1 296.411 1.126 40 0 CDABMO CC(=O)N1CC2(C1)C[C@H](COCc1ccccn1)C[N@@H+]2C ZINC000585093880 358099147 /nfs/dbraw/zinc/09/91/47/358099147.db2.gz MLSVWYLVWFDIAD-AWEZNQCLSA-N 1 1 289.379 1.151 40 0 CDABMO COC[C@@H]1C[N@@H+](CC2CC2)C2(CN(c3ncccn3)C2)C1 ZINC000585094008 358099809 /nfs/dbraw/zinc/09/98/09/358099809.db2.gz YWQWRUDXHVZSAD-AWEZNQCLSA-N 1 1 288.395 1.414 40 0 CDABMO O=C(NCC1CC1)[C@@H]1C[N@@H+](CC2CC2)CC12CCOCC2 ZINC000096052161 358707299 /nfs/dbraw/zinc/70/72/99/358707299.db2.gz WSRYZEBDAXREJG-HNNXBMFYSA-N 1 1 292.423 1.651 40 0 CDABMO COCC[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161705 358710902 /nfs/dbraw/zinc/71/09/02/358710902.db2.gz AUHKIJTUGAUOEC-GASCZTMLSA-N 1 1 278.371 1.836 40 0 CDABMO O[C@H]1CC[N@@H+](CC2CCOCC2)[C@H]1Cc1cccnc1 ZINC000096200468 358718602 /nfs/dbraw/zinc/71/86/02/358718602.db2.gz ONAKSKKLQIRCJG-HOTGVXAUSA-N 1 1 276.380 1.486 40 0 CDABMO OCC[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096239816 358724940 /nfs/dbraw/zinc/72/49/40/358724940.db2.gz RWGQXEWBUALLBJ-ZDUSSCGKSA-N 1 1 298.337 1.006 40 0 CDABMO Cc1ccc[nH+]c1N1C[C@@H]2C(=O)N(c3cnn(C)c3)C[C@@H]2C1 ZINC000096245236 358725785 /nfs/dbraw/zinc/72/57/85/358725785.db2.gz DUEKIPHGUDGSKO-JSGCOSHPSA-N 1 1 297.362 1.223 40 0 CDABMO CC(C)[C@@H](CNc1cnccn1)[NH+]1CCOCC1 ZINC000298085480 200330828 /nfs/dbraw/zinc/33/08/28/200330828.db2.gz HIQCYKVMSJDZED-GFCCVEGCSA-N 1 1 250.346 1.245 40 0 CDABMO CN(C)c1cc[nH+]c(N2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000301768082 201184747 /nfs/dbraw/zinc/18/47/47/201184747.db2.gz OLRYHSHQNRNZFE-JTQLQIEISA-N 1 1 276.262 1.046 40 0 CDABMO CN1c2cccnc2C[N@@H+](Cc2ccccn2)CC[C@H]1CO ZINC000225496358 374553099 /nfs/dbraw/zinc/55/30/99/374553099.db2.gz XGSSOZSJGUFWHD-HNNXBMFYSA-N 1 1 298.390 1.680 40 0 biogenic,in-vitro CDABMO CN1c2cccnc2C[N@H+](Cc2ccccn2)CC[C@H]1CO ZINC000225496358 374553106 /nfs/dbraw/zinc/55/31/06/374553106.db2.gz XGSSOZSJGUFWHD-HNNXBMFYSA-N 1 1 298.390 1.680 40 0 biogenic,in-vitro CDABMO COc1ccc(OC[C@@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000019595039 374758265 /nfs/dbraw/zinc/75/82/65/374758265.db2.gz CCGHVAGELGVBQD-IHRRRGAJSA-N 1 1 295.379 1.544 40 0 CDABMO C[N@H+]1C[C@@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306125051 374968108 /nfs/dbraw/zinc/96/81/08/374968108.db2.gz CFWOKLCLDPVUQZ-CABCVRRESA-N 1 1 282.347 1.394 40 0 CDABMO C[C@]12CCCN(C(=O)CN3CCCC3)[C@@H]1CCC[NH2+]2 ZINC000257211492 190012047 /nfs/dbraw/zinc/01/20/47/190012047.db2.gz BZBCSZQQDKSOQX-HIFRSBDPSA-N 1 1 265.401 1.215 40 0 CDABMO Cc1n[nH]c(C)c1-c1cnc(C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000257212634 190013022 /nfs/dbraw/zinc/01/30/22/190013022.db2.gz CEHDDLFYROJRLC-LBPRGKRZSA-N 1 1 271.368 1.978 40 0 CDABMO CCNC(=O)c1cnc(C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000257241130 190018317 /nfs/dbraw/zinc/01/83/17/190018317.db2.gz HWRQIIXXWVPGFA-NSHDSACASA-N 1 1 262.357 1.111 40 0 CDABMO CCn1cc(C[N@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)n1 ZINC000257270249 190023829 /nfs/dbraw/zinc/02/38/29/190023829.db2.gz MTIDRIVLMLRQCB-HOTGVXAUSA-N 1 1 293.411 1.981 40 0 CDABMO C[NH+](C)Cc1cncc([C@H]2CCCN2Cc2c[nH]cn2)n1 ZINC000257261758 190022043 /nfs/dbraw/zinc/02/20/43/190022043.db2.gz LIRVSWMKLMCSBC-OAHLLOKOSA-N 1 1 286.383 1.598 40 0 CDABMO CCn1cc(C[N@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)cn1 ZINC000257287849 190027388 /nfs/dbraw/zinc/02/73/88/190027388.db2.gz PRSZGLSKPYVUSL-GJZGRUSLSA-N 1 1 279.384 1.673 40 0 CDABMO COCCNC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1C ZINC000257289560 190027693 /nfs/dbraw/zinc/02/76/93/190027693.db2.gz PZFCOCGVNSKOEI-INIZCTEOSA-N 1 1 276.380 1.456 40 0 CDABMO Cn1ccnc1C[N@@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257334651 190036582 /nfs/dbraw/zinc/03/65/82/190036582.db2.gz YGVBCKQGRGMXJB-UHFFFAOYSA-N 1 1 298.394 1.677 40 0 CDABMO Cn1ccnc1C[N@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257334651 190036583 /nfs/dbraw/zinc/03/65/83/190036583.db2.gz YGVBCKQGRGMXJB-UHFFFAOYSA-N 1 1 298.394 1.677 40 0 CDABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000072227662 390626126 /nfs/dbraw/zinc/62/61/26/390626126.db2.gz QACYQZCGXABVHD-JKSUJKDBSA-N 1 1 296.326 1.873 40 0 CDABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)C1CC1 ZINC000096055791 390912236 /nfs/dbraw/zinc/91/22/36/390912236.db2.gz KNTYFHGDGNDSMN-QWHCGFSZSA-N 1 1 272.414 1.283 40 0 CDABMO COC[C@@]1([NH3+])[C@H](S(C)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000242437278 393071416 /nfs/dbraw/zinc/07/14/16/393071416.db2.gz BVYZNJDIDHFNJL-UTUOFQBUSA-N 1 1 289.784 1.194 40 0 CDABMO CC[NH+](CC)CCN[C@H](C)C(=O)N1CCC(C)CC1 ZINC000022586306 171393040 /nfs/dbraw/zinc/39/30/40/171393040.db2.gz RWJXPEUSNOGBLG-CQSZACIVSA-N 1 1 269.433 1.565 40 0 CDABMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072367950 176382358 /nfs/dbraw/zinc/38/23/58/176382358.db2.gz GKSVRZNGHSEMPP-CQSZACIVSA-N 1 1 261.369 1.820 40 0 CDABMO CC(C)[N@@H+]1CCO[C@H](c2ccc(CCC(N)=O)cn2)C1 ZINC000072378720 176386249 /nfs/dbraw/zinc/38/62/49/176386249.db2.gz GOGXDLKQGQJQKX-AWEZNQCLSA-N 1 1 277.368 1.281 40 0 CDABMO CC(C)[N@H+]1CCO[C@H](c2ccc(CCC(N)=O)cn2)C1 ZINC000072378720 176386251 /nfs/dbraw/zinc/38/62/51/176386251.db2.gz GOGXDLKQGQJQKX-AWEZNQCLSA-N 1 1 277.368 1.281 40 0 CDABMO Cc1c[nH]nc1[C@@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC000072381937 176387752 /nfs/dbraw/zinc/38/77/52/176387752.db2.gz SHKPOJGOBVXNCW-LBPRGKRZSA-N 1 1 251.330 1.270 40 0 CDABMO Cc1c[nH]nc1[C@@H]1C[N@H+](C2CCOCC2)CCO1 ZINC000072381937 176387753 /nfs/dbraw/zinc/38/77/53/176387753.db2.gz SHKPOJGOBVXNCW-LBPRGKRZSA-N 1 1 251.330 1.270 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2nccnc2c1 ZINC000072397619 176395256 /nfs/dbraw/zinc/39/52/56/176395256.db2.gz XLNJRKVRWGASSU-AEGPPILISA-N 1 1 298.390 1.269 40 0 CDABMO Cc1cc(C)n([C@H](C)C(=O)N(C)CCn2cc[nH+]c2C)n1 ZINC000019716898 280447094 /nfs/dbraw/zinc/44/70/94/280447094.db2.gz RTJCDJGUDMFKLX-CYBMUJFWSA-N 1 1 289.383 1.724 40 0 CDABMO O=C(NC1CC1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000097953613 230388491 /nfs/dbraw/zinc/38/84/91/230388491.db2.gz QPDWXVDWPYNQBY-QEJZJMRPSA-N 1 1 290.363 1.538 40 0 CDABMO O=C(NC1CC1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000097953613 230388492 /nfs/dbraw/zinc/38/84/92/230388492.db2.gz QPDWXVDWPYNQBY-QEJZJMRPSA-N 1 1 290.363 1.538 40 0 CDABMO COc1ccc([C@H]([NH3+])c2nc(C)n(C)n2)cc1OC ZINC000095533923 185006186 /nfs/dbraw/zinc/00/61/86/185006186.db2.gz OTFBHHAOVCKLMW-LBPRGKRZSA-N 1 1 262.313 1.189 40 0 CDABMO Cc1ccc([C@@H]([NH3+])c2nc(Cn3cccn3)n[nH]2)cc1 ZINC000095534125 185007099 /nfs/dbraw/zinc/00/70/99/185007099.db2.gz TXDKDFXUIFOKKJ-CYBMUJFWSA-N 1 1 268.324 1.406 40 0 CDABMO CC(C)[N@H+]1CCOC[C@@]2(CN(Cc3ccco3)CCO2)C1 ZINC000096049714 185074765 /nfs/dbraw/zinc/07/47/65/185074765.db2.gz HUIZJLSBUPQGIS-MRXNPFEDSA-N 1 1 294.395 1.591 40 0 CDABMO CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2[N@H+]1C(C)C ZINC000096054223 185075893 /nfs/dbraw/zinc/07/58/93/185075893.db2.gz XYSVWXSFUCUVCN-AEGPPILISA-N 1 1 291.395 1.309 40 0 CDABMO CNC(=O)[C@@H]1C[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1C(C)C ZINC000096054223 185075895 /nfs/dbraw/zinc/07/58/95/185075895.db2.gz XYSVWXSFUCUVCN-AEGPPILISA-N 1 1 291.395 1.309 40 0 CDABMO CNC(=O)[C@@H]1C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1C(C)C ZINC000096054223 185075897 /nfs/dbraw/zinc/07/58/97/185075897.db2.gz XYSVWXSFUCUVCN-AEGPPILISA-N 1 1 291.395 1.309 40 0 CDABMO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC2)O1)N1CCCO1 ZINC000096057576 185077163 /nfs/dbraw/zinc/07/71/63/185077163.db2.gz SRZDCYBPLDOJHW-MGPQQGTHSA-N 1 1 280.368 1.182 40 0 CDABMO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](CC2CC2)C1)N1CCCC1 ZINC000096057617 185077409 /nfs/dbraw/zinc/07/74/09/185077409.db2.gz GOOBYZOITQUJGB-RRFJBIMHSA-N 1 1 278.396 1.498 40 0 CDABMO CC(C)[N@H+](C)C[C@H]1C[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]2O1 ZINC000096100360 185097576 /nfs/dbraw/zinc/09/75/76/185097576.db2.gz ZXCGKFLKPFHICG-OAGGEKHMSA-N 1 1 292.427 1.350 40 0 CDABMO CC(C)[N@@H+](C)C[C@H]1C[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]2O1 ZINC000096100360 185097577 /nfs/dbraw/zinc/09/75/77/185097577.db2.gz ZXCGKFLKPFHICG-OAGGEKHMSA-N 1 1 292.427 1.350 40 0 CDABMO O[C@H]1C[N@@H+](Cc2cnccn2)CC[C@@H]1Cc1ccccc1 ZINC000585279643 342257735 /nfs/dbraw/zinc/25/77/35/342257735.db2.gz WNDDKBHQCFBLAZ-WBVHZDCISA-N 1 1 283.375 1.902 40 0 CDABMO C[N@H+](CC(=O)N1CCCC1)[C@@H](CCO)c1ccccc1 ZINC000075899477 362100191 /nfs/dbraw/zinc/10/01/91/362100191.db2.gz LZAXYXIZMNILOM-HNNXBMFYSA-N 1 1 276.380 1.664 40 0 CDABMO C[N@@H+](CC(=O)N1CCCC1)[C@@H](CCO)c1ccccc1 ZINC000075899477 362100193 /nfs/dbraw/zinc/10/01/93/362100193.db2.gz LZAXYXIZMNILOM-HNNXBMFYSA-N 1 1 276.380 1.664 40 0 CDABMO CNC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O1 ZINC000097953817 529911079 /nfs/dbraw/zinc/91/10/79/529911079.db2.gz NLRYDXLGWLJUDK-FPMFFAJLSA-N 1 1 293.367 1.017 40 0 CDABMO CNC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O1 ZINC000097953817 529911080 /nfs/dbraw/zinc/91/10/80/529911080.db2.gz NLRYDXLGWLJUDK-FPMFFAJLSA-N 1 1 293.367 1.017 40 0 CDABMO CCN1CC[C@]2(CCC[N@@H+](C[C@H]3CCOC3)C2)C1=O ZINC000107229120 186163905 /nfs/dbraw/zinc/16/39/05/186163905.db2.gz MXXXYCCCNQEWCF-HIFRSBDPSA-N 1 1 266.385 1.357 40 0 CDABMO O=C(C[C@H]1[C@H]2C[N@H+](CC3CC3)C[C@@H]12)NCc1ccco1 ZINC000107745975 186188866 /nfs/dbraw/zinc/18/88/66/186188866.db2.gz GMZIFGHRZGCHDB-QDMKHBRRSA-N 1 1 274.364 1.874 40 0 CDABMO CCc1c(C)nn2cn[n+](CC(=O)c3ccccc3)c2c1O ZINC000408720912 356111051 /nfs/dbraw/zinc/11/10/51/356111051.db2.gz AXIZZRSCXZZJNY-UHFFFAOYSA-O 1 1 297.338 1.064 40 0 CDABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000082336302 358160867 /nfs/dbraw/zinc/16/08/67/358160867.db2.gz KIFFZCAITNKVIM-SNVBAGLBSA-N 1 1 262.309 1.696 40 0 CDABMO COCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC000096161743 358711063 /nfs/dbraw/zinc/71/10/63/358711063.db2.gz DXAAFYJTSVVWQZ-IYBDPMFKSA-N 1 1 288.391 1.532 40 0 CDABMO Cn1cccc1C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](C)C2)O1 ZINC000096206745 358720277 /nfs/dbraw/zinc/72/02/77/358720277.db2.gz PUABWTNSQIJZBM-XJKSGUPXSA-N 1 1 291.395 1.398 40 0 CDABMO COC[C@H]1CC2(C[N@H+]1C)CCN(c1nnc(C)s1)CC2 ZINC000096220768 358723189 /nfs/dbraw/zinc/72/31/89/358723189.db2.gz VVKOOHPPVPWGNV-GFCCVEGCSA-N 1 1 296.440 1.784 40 0 CDABMO O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccccn2)N1CC1CC1 ZINC000096245875 358725857 /nfs/dbraw/zinc/72/58/57/358725857.db2.gz FVBVADXPUUWOGW-GJZGRUSLSA-N 1 1 271.364 1.667 40 0 CDABMO CN(CCc1ccccn1)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000041124034 359685452 /nfs/dbraw/zinc/68/54/52/359685452.db2.gz VAXJVWGDSHVPHS-HNNXBMFYSA-N 1 1 263.385 1.013 40 0 CDABMO CN1CCC[C@@](O)(C[N@H+](C)CCc2ccccn2)C1 ZINC000041124034 359685454 /nfs/dbraw/zinc/68/54/54/359685454.db2.gz VAXJVWGDSHVPHS-HNNXBMFYSA-N 1 1 263.385 1.013 40 0 CDABMO CC(C)[C@H](CNc1cnccn1)[NH+]1CCOCC1 ZINC000298085485 200330399 /nfs/dbraw/zinc/33/03/99/200330399.db2.gz HIQCYKVMSJDZED-LBPRGKRZSA-N 1 1 250.346 1.245 40 0 CDABMO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](n3ccnn3)C2)o1 ZINC000333418536 205303694 /nfs/dbraw/zinc/30/36/94/205303694.db2.gz RGQKYYMNOYIGTR-NWDGAFQWSA-N 1 1 261.329 1.973 40 0 CDABMO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](n3ccnn3)C2)o1 ZINC000333418536 205303699 /nfs/dbraw/zinc/30/36/99/205303699.db2.gz RGQKYYMNOYIGTR-NWDGAFQWSA-N 1 1 261.329 1.973 40 0 CDABMO CCOC[C@H](O)C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000079099751 374770326 /nfs/dbraw/zinc/77/03/26/374770326.db2.gz PNIIHBAFQBJTNH-CQSZACIVSA-N 1 1 292.379 1.401 40 0 CDABMO Cc1cccc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000226455619 375343903 /nfs/dbraw/zinc/34/39/03/375343903.db2.gz WRRZGGPVQRQSAH-SOUVJXGZSA-N 1 1 279.380 1.844 40 0 CDABMO CCn1nccc1C[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256050213 190003315 /nfs/dbraw/zinc/00/33/15/190003315.db2.gz DEQOTGKBOACWEV-UHFFFAOYSA-N 1 1 287.289 1.952 40 0 CDABMO Cc1cc(C[NH2+]Cc2cnn(CC(C)C)c2)n(C)n1 ZINC000256055032 190005574 /nfs/dbraw/zinc/00/55/74/190005574.db2.gz YVPYVOCTEPVWGN-UHFFFAOYSA-N 1 1 261.373 1.871 40 0 CDABMO CNc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)ccn1 ZINC000257203260 190011366 /nfs/dbraw/zinc/01/13/66/190011366.db2.gz APGHNIBMWXVRSH-CQSZACIVSA-N 1 1 288.395 1.883 40 0 CDABMO CNc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCCC2)ccn1 ZINC000257203260 190011367 /nfs/dbraw/zinc/01/13/67/190011367.db2.gz APGHNIBMWXVRSH-CQSZACIVSA-N 1 1 288.395 1.883 40 0 CDABMO C[C@@]1(C(N)=O)C[N@H+](CCCOc2ccccc2F)CCO1 ZINC000257225934 190015818 /nfs/dbraw/zinc/01/58/18/190015818.db2.gz FILUDJVXSXCKAD-HNNXBMFYSA-N 1 1 296.342 1.171 40 0 CDABMO C[C@@]1(C(N)=O)C[N@@H+](CCCOc2ccccc2F)CCO1 ZINC000257225934 190015819 /nfs/dbraw/zinc/01/58/19/190015819.db2.gz FILUDJVXSXCKAD-HNNXBMFYSA-N 1 1 296.342 1.171 40 0 CDABMO C[N@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@@H](C(N)=O)C1 ZINC000257234621 190016944 /nfs/dbraw/zinc/01/69/44/190016944.db2.gz GUKDNHXDNBSDLH-NSHDSACASA-N 1 1 299.777 1.328 40 0 CDABMO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@@H+](CCC(N)=O)C[C@H]12 ZINC000257238483 190017800 /nfs/dbraw/zinc/01/78/00/190017800.db2.gz HLDYTYTYYBAPIS-VNHYZAJKSA-N 1 1 289.379 1.355 40 0 CDABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1cnccn1 ZINC000257288376 190026775 /nfs/dbraw/zinc/02/67/75/190026775.db2.gz PTZDBBKPMIFIJC-AWEZNQCLSA-N 1 1 299.378 1.989 40 0 CDABMO CN(C)c1ncc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cn1 ZINC000257289162 190027471 /nfs/dbraw/zinc/02/74/71/190027471.db2.gz PXGQCEYUYXOBJW-CQSZACIVSA-N 1 1 298.394 1.712 40 0 CDABMO CO[C@H]1C[N@H+](Cc2nccn2C)CC[C@@]12CCCO2 ZINC000257300020 190029663 /nfs/dbraw/zinc/02/96/63/190029663.db2.gz RSOWREUUHBCABS-JSGCOSHPSA-N 1 1 265.357 1.190 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2nccn2C)CC[C@@]12CCCO2 ZINC000257300020 190029664 /nfs/dbraw/zinc/02/96/64/190029664.db2.gz RSOWREUUHBCABS-JSGCOSHPSA-N 1 1 265.357 1.190 40 0 CDABMO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)CN1CCCC1)C2 ZINC000257341009 190036963 /nfs/dbraw/zinc/03/69/63/190036963.db2.gz ZILOBMVAJVTXCT-MPTYRVRUSA-N 1 1 291.439 1.556 40 0 CDABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)CN1CCCC1)C2 ZINC000257341009 190036964 /nfs/dbraw/zinc/03/69/64/190036964.db2.gz ZILOBMVAJVTXCT-MPTYRVRUSA-N 1 1 291.439 1.556 40 0 CDABMO CCCNc1ncc(C[NH2+]CCN(CC)CC)cn1 ZINC000062718458 256720922 /nfs/dbraw/zinc/72/09/22/256720922.db2.gz HUEDPHRTACHGJZ-UHFFFAOYSA-N 1 1 265.405 1.730 40 0 CDABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccco2)N1c1cncnc1 ZINC000107800215 390588957 /nfs/dbraw/zinc/58/89/57/390588957.db2.gz OHUPWUWRLUWPMV-UONOGXRCSA-N 1 1 284.319 1.449 40 0 CDABMO CC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000173558771 390946424 /nfs/dbraw/zinc/94/64/24/390946424.db2.gz IXWGJQQGFJUXTN-VXGBXAGGSA-N 1 1 272.389 1.746 40 0 CDABMO CCN(CC)CC[NH2+]Cc1cnc(SC)nc1 ZINC000062718325 391574679 /nfs/dbraw/zinc/57/46/79/391574679.db2.gz MTULHGPKGYKJKB-UHFFFAOYSA-N 1 1 254.403 1.630 40 0 CDABMO CC1CCC(OC[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000041690159 392010779 /nfs/dbraw/zinc/01/07/79/392010779.db2.gz UJJCSGYRYNPEAL-SHARSMKWSA-N 1 1 270.417 1.190 40 0 CDABMO COCC(=O)N1CCC2(C[C@@H](COC)[N@H+](C(C)C)C2)CC1 ZINC000096051775 292175714 /nfs/dbraw/zinc/17/57/14/292175714.db2.gz XTLGTEJURXLCTO-AWEZNQCLSA-N 1 1 298.427 1.371 40 0 CDABMO COCC(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096049306 292175739 /nfs/dbraw/zinc/17/57/39/292175739.db2.gz KIFYOCSIAHLIBK-UHFFFAOYSA-N 1 1 266.385 1.500 40 0 CDABMO CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@H+]2CCC[C@H]12)C(C)C ZINC000008618660 170343399 /nfs/dbraw/zinc/34/33/99/170343399.db2.gz AORFDVNAPHMKAU-XPKDYRNWSA-N 1 1 297.395 1.356 40 0 CDABMO C[NH+]1CCN(CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000022585599 171392487 /nfs/dbraw/zinc/39/24/87/171392487.db2.gz ZHVSABLQTJWFAP-UHFFFAOYSA-N 1 1 269.295 1.151 40 0 CDABMO CC1(C)C[NH+](CC(=O)N2CCC23CCOCC3)C1 ZINC000654855169 413767798 /nfs/dbraw/zinc/76/77/98/413767798.db2.gz OUXUBKFPQWRWSP-UHFFFAOYSA-N 1 1 252.358 1.110 40 0 CDABMO COCC(=O)N1CCC[C@@H](Cn2cc[nH+]c2C)C1 ZINC000072357131 176376294 /nfs/dbraw/zinc/37/62/94/176376294.db2.gz CDYRXSHAYMAWKK-LBPRGKRZSA-N 1 1 251.330 1.077 40 0 CDABMO NC(=O)C[N@H+]1CC[C@@H](Cc2cncc3ccccc32)C1 ZINC000072367884 176382466 /nfs/dbraw/zinc/38/24/66/176382466.db2.gz WAPRTCGVYUQJCB-LBPRGKRZSA-N 1 1 269.348 1.585 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc2cccnc21 ZINC000072397594 176394969 /nfs/dbraw/zinc/39/49/69/176394969.db2.gz QOLXLKGUIRIETM-IAOVAPTHSA-N 1 1 297.402 1.874 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2ncccc2c1 ZINC000072397591 176395081 /nfs/dbraw/zinc/39/50/81/176395081.db2.gz UMAJYNWLGRKJFT-RRQGHBQHSA-N 1 1 297.402 1.874 40 0 CDABMO CNC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096066195 277010110 /nfs/dbraw/zinc/01/01/10/277010110.db2.gz LYZDRGHEPSSPRN-RWMBFGLXSA-N 1 1 264.325 1.005 40 0 CDABMO CNC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096066195 277010111 /nfs/dbraw/zinc/01/01/11/277010111.db2.gz LYZDRGHEPSSPRN-RWMBFGLXSA-N 1 1 264.325 1.005 40 0 CDABMO CC[N@H+]1CCO[C@@H]2CN(C(=O)COC3CCCC3)C[C@@H]2C1 ZINC000096107965 279386831 /nfs/dbraw/zinc/38/68/31/279386831.db2.gz YZNLPTGLAKDQRC-DZGCQCFKSA-N 1 1 296.411 1.125 40 0 CDABMO CC[C@H]1[N@@H+](CC2CCOCC2)CCC[C@]12CCC(=O)N2 ZINC000096045693 288354637 /nfs/dbraw/zinc/35/46/37/288354637.db2.gz LDHJBXPZPOBIDR-ZBFHGGJFSA-N 1 1 280.412 1.936 40 0 CDABMO COP(=O)(OC)[C@@]1(O)C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000003162966 293376507 /nfs/dbraw/zinc/37/65/07/293376507.db2.gz ANRNCSUBAGMGGV-GUBZILKMSA-N 1 1 251.263 1.521 40 0 CDABMO CCN1CC[NH+](C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000022030828 521685138 /nfs/dbraw/zinc/68/51/38/521685138.db2.gz JHJRVXUCLYSFQV-OAHLLOKOSA-N 1 1 278.396 1.372 40 0 CDABMO CC(C)c1[nH+]ccn1CCNc1nccn(C)c1=O ZINC000895987194 619938443 /nfs/dbraw/zinc/93/84/43/619938443.db2.gz ALMLYWJZQBQQLR-UHFFFAOYSA-N 1 1 261.329 1.212 40 0 CDABMO CCNc1ncc(C2=[NH+]O[C@](C)(C(=O)NC(C)C)C2)cn1 ZINC000226084185 1161390007 /nfs/dbraw/zinc/39/00/07/1161390007.db2.gz OIMSTSBSGWVFJP-AWEZNQCLSA-N 1 1 291.355 1.316 40 0 CDABMO Cc1cc(=O)[nH]c(SC[C@@H](O)[NH+]2CCCCC2)n1 ZINC001554502560 964981538 /nfs/dbraw/zinc/98/15/38/964981538.db2.gz KLFYNNCAMIESFX-LLVKDONJSA-N 1 1 269.370 1.387 40 0 CDABMO CCOCC[N@H+]1CC[C@H]2C[C@H](C(=O)NCC3CC3)O[C@H]2C1 ZINC000096043155 185070329 /nfs/dbraw/zinc/07/03/29/185070329.db2.gz XBFZHTISQKVYKB-ZNMIVQPWSA-N 1 1 296.411 1.029 40 0 CDABMO O=C(N1CCCC1)N1CC[N@H+]2C[C@H](OCC3CC3)C[C@@H]2C1 ZINC000096055005 185075790 /nfs/dbraw/zinc/07/57/90/185075790.db2.gz PAURGSWULQWVEN-HUUCEWRRSA-N 1 1 293.411 1.387 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccco2)O1 ZINC000096055559 185076830 /nfs/dbraw/zinc/07/68/30/185076830.db2.gz VPXRBGCBMFDQDA-UPJWGTAASA-N 1 1 264.325 1.100 40 0 CDABMO C[NH+](C)C[C@@H]1OC[C@@H]2C[N@@H+](Cc3ccco3)CC[C@H]12 ZINC000096057578 185077687 /nfs/dbraw/zinc/07/76/87/185077687.db2.gz GUNFPDHBYGIASN-QEJZJMRPSA-N 1 1 264.369 1.678 40 0 CDABMO C[C@@H]1NC(=O)COC12CC[NH+](Cc1nccs1)CC2 ZINC000096062195 185082923 /nfs/dbraw/zinc/08/29/23/185082923.db2.gz XVPZXHQIKSBDLC-JTQLQIEISA-N 1 1 281.381 1.013 40 0 CDABMO Cn1cncc1C(=O)N1CC[C@]2(CC[N@H+]2CC2CC2)C1 ZINC000096075995 185089012 /nfs/dbraw/zinc/08/90/12/185089012.db2.gz UDOLNKHMLFYXSE-HNNXBMFYSA-N 1 1 274.368 1.121 40 0 CDABMO CO[C@H]1CC[N@@H+](CCC(N)=O)C[C@H]1Cc1ccc(F)cc1 ZINC000585269481 342255542 /nfs/dbraw/zinc/25/55/42/342255542.db2.gz WCYHJWNUQPGEMA-HIFRSBDPSA-N 1 1 294.370 1.581 40 0 CDABMO CO[C@]1(COc2ccccc2C)CC[N@@H+](CCC(N)=O)C1 ZINC000585273359 342255856 /nfs/dbraw/zinc/25/58/56/342255856.db2.gz CTNPMVVWKKCEPG-MRXNPFEDSA-N 1 1 292.379 1.340 40 0 CDABMO CNC(=O)C[C@]1(CO)CCC[N@H+]1Cc1cc(C(C)C)no1 ZINC000585278391 342256938 /nfs/dbraw/zinc/25/69/38/342256938.db2.gz SLILKHQMVWIRSL-HNNXBMFYSA-N 1 1 295.383 1.261 40 0 CDABMO COC[C@H]1CC[N@@H+](C)C2(CN(c3cc(OC)ncn3)C2)C1 ZINC000248083984 362149634 /nfs/dbraw/zinc/14/96/34/362149634.db2.gz AVNKHVXUCZWPAR-LBPRGKRZSA-N 1 1 292.383 1.032 40 0 CDABMO C[C@@H]1Cc2[nH+]cn(Cc3nc(N(C)C)no3)c2C[C@@H]1C ZINC000295042008 199315977 /nfs/dbraw/zinc/31/59/77/199315977.db2.gz AKVJCQCYIWARDJ-ZJUUUORDSA-N 1 1 275.356 1.751 40 0 CDABMO Cn1cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c2ccccc21 ZINC000085436139 179062731 /nfs/dbraw/zinc/06/27/31/179062731.db2.gz HWKYFHZJCIXIMV-ZDUSSCGKSA-N 1 1 284.363 1.388 40 0 biogenic,in-vitro CDABMO CCN1C(=O)C[C@H]2[C@H]1CC[N@H+]2Cc1cccc(C)n1 ZINC000107799903 186191779 /nfs/dbraw/zinc/19/17/79/186191779.db2.gz MXOBEFGLJUQCRZ-KGLIPLIRSA-N 1 1 259.353 1.585 40 0 CDABMO CCOc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1C ZINC000075009541 366165455 /nfs/dbraw/zinc/16/54/55/366165455.db2.gz FZZIHIWQYCSXOO-LLVKDONJSA-N 1 1 266.366 1.995 40 0 CDABMO CC(C)CCNC(=O)[C@@H]1C[N@@H+](C)Cc2cn(C)nc21 ZINC000019701578 356495925 /nfs/dbraw/zinc/49/59/25/356495925.db2.gz QEYFJVRZXCWMIL-GFCCVEGCSA-N 1 1 264.373 1.111 40 0 CDABMO Cc1c(C[N@H+]2CC[C@H](C(=O)N3CCCCC3)C2)cnn1C ZINC000019745447 356499606 /nfs/dbraw/zinc/49/96/06/356499606.db2.gz OALOWQPLXYGZSR-AWEZNQCLSA-N 1 1 290.411 1.563 40 0 CDABMO Cc1nc([C@H]2CC[N@@H+](Cc3cccnc3)C2)ncc1C(N)=O ZINC000019759121 356500191 /nfs/dbraw/zinc/50/01/91/356500191.db2.gz RTNYELRJKUAZNL-ZDUSSCGKSA-N 1 1 297.362 1.268 40 0 CDABMO CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC000079408166 356992403 /nfs/dbraw/zinc/99/24/03/356992403.db2.gz MQNCGLNIDFGQDD-GFCCVEGCSA-N 1 1 270.373 1.453 40 0 CDABMO CCSC[C@@H](C)[N@H+](C)CC(=O)Nc1nncs1 ZINC000072904706 358744897 /nfs/dbraw/zinc/74/48/97/358744897.db2.gz XAEJVLWWFDINIO-MRVPVSSYSA-N 1 1 274.415 1.550 40 0 CDABMO CCSC[C@@H](C)[N@@H+](C)CC(=O)Nc1nncs1 ZINC000072904706 358744901 /nfs/dbraw/zinc/74/49/01/358744901.db2.gz XAEJVLWWFDINIO-MRVPVSSYSA-N 1 1 274.415 1.550 40 0 CDABMO CO[C@H]1CC[N@@H+](C[C@@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200491 358717972 /nfs/dbraw/zinc/71/79/72/358717972.db2.gz OPHSKPHKPVVZEQ-JYJNAYRXSA-N 1 1 276.380 1.750 40 0 CDABMO O[C@H]1CC[N@@H+](C[C@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200367 358718311 /nfs/dbraw/zinc/71/83/11/358718311.db2.gz LZKVVOHGYNJTET-PMPSAXMXSA-N 1 1 261.365 1.701 40 0 CDABMO CC(=O)N1CCOC[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096202184 358718914 /nfs/dbraw/zinc/71/89/14/358718914.db2.gz OEENMNRZLVWGHZ-OAHLLOKOSA-N 1 1 294.420 1.819 40 0 CDABMO COCC[N@H+]1CCC[C@]12CCCN(c1nncs1)C2 ZINC000096203235 358719538 /nfs/dbraw/zinc/71/95/38/358719538.db2.gz VLCBRYUHASKOTF-ZDUSSCGKSA-N 1 1 282.413 1.619 40 0 CDABMO Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2cccs2)C3)n1 ZINC000096206863 358720401 /nfs/dbraw/zinc/72/04/01/358720401.db2.gz GXAKPJFLLQJWRZ-BXUZGUMPSA-N 1 1 291.376 1.840 40 0 CDABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C)[C@@H]2C1 ZINC000096251815 358727403 /nfs/dbraw/zinc/72/74/03/358727403.db2.gz DVLZWPLMKDAPIO-CVEARBPZSA-N 1 1 258.365 1.881 40 0 CDABMO CCc1ncnc2c1CC[N@@H+](CC1CCOCC1)CC2 ZINC000096255049 358727767 /nfs/dbraw/zinc/72/77/67/358727767.db2.gz NKIWHBZPQXDMCA-UHFFFAOYSA-N 1 1 275.396 1.866 40 0 CDABMO COCC[N@@H+]1C[C@H]2C[C@H](C(=O)Nc3ccccc3)[C@@H](C1)O2 ZINC000096253406 358728080 /nfs/dbraw/zinc/72/80/80/358728080.db2.gz QXYJPXWMYOQEKS-QLFBSQMISA-N 1 1 290.363 1.361 40 0 CDABMO COCC[N@H+]1C[C@H]2C[C@H](C(=O)Nc3ccccc3)[C@@H](C1)O2 ZINC000096253406 358728083 /nfs/dbraw/zinc/72/80/83/358728083.db2.gz QXYJPXWMYOQEKS-QLFBSQMISA-N 1 1 290.363 1.361 40 0 CDABMO C[C@@H]1C[N@@H+](CCNC(=O)CC2(O)CCCCC2)C[C@H](C)O1 ZINC000072845966 358735962 /nfs/dbraw/zinc/73/59/62/358735962.db2.gz AQLAVQVUXRVWJY-OKILXGFUSA-N 1 1 298.427 1.297 40 0 CDABMO C[C@@H]1C[N@H+](CCNC(=O)CC2(O)CCCCC2)C[C@H](C)O1 ZINC000072845966 358735966 /nfs/dbraw/zinc/73/59/66/358735966.db2.gz AQLAVQVUXRVWJY-OKILXGFUSA-N 1 1 298.427 1.297 40 0 CDABMO Cn1cc[nH+]c1N1CCN(Cc2ccccn2)CC1 ZINC000013694384 366497750 /nfs/dbraw/zinc/49/77/50/366497750.db2.gz HGVLJNXIIAGZJO-UHFFFAOYSA-N 1 1 257.341 1.137 40 0 CDABMO CC[NH+]1CCN(C(=O)[C@H](OC)c2ccccc2)CC1 ZINC000023410354 359242591 /nfs/dbraw/zinc/24/25/91/359242591.db2.gz JSTHOIVVBNTNDR-CQSZACIVSA-N 1 1 262.353 1.538 40 0 CDABMO O=C(c1ccc(F)cc1F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932292 359509199 /nfs/dbraw/zinc/50/91/99/359509199.db2.gz KSIOZKMXVGXATP-NSHDSACASA-N 1 1 266.291 1.885 40 0 CDABMO S=C(NCCC[NH+]1CCOCC1)Nc1ccncc1 ZINC000225179107 359556651 /nfs/dbraw/zinc/55/66/51/359556651.db2.gz VEMNQWYXEQYGQX-UHFFFAOYSA-N 1 1 280.397 1.090 40 0 CDABMO CC(C)CN1CC2(C1)C[N@@H+](CC(C)C)C[C@@H]1C[C@@H](O)CN12 ZINC000514290058 360126206 /nfs/dbraw/zinc/12/62/06/360126206.db2.gz SCZWLYRQCAFKJC-JKSUJKDBSA-N 1 1 295.471 1.104 40 0 biogenic,in-vitro CDABMO COCCn1nnnc1[C@H](C(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000245227944 369947095 /nfs/dbraw/zinc/94/70/95/369947095.db2.gz ZMZONOIDJMWUHZ-STQMWFEESA-N 1 1 281.404 1.749 40 0 CDABMO CC[C@@H](O)C[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000075752831 374046188 /nfs/dbraw/zinc/04/61/88/374046188.db2.gz KHLDFHFFDNYEIX-QGZVFWFLSA-N 1 1 291.439 1.511 40 0 CDABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CC1CC1 ZINC000257254645 190020771 /nfs/dbraw/zinc/02/07/71/190020771.db2.gz KEBYJSHURZVQEY-CQSZACIVSA-N 1 1 274.364 1.968 40 0 CDABMO CNC(=O)C[NH+]1CCC(C)(c2ncc(C)s2)CC1 ZINC000257243067 190018480 /nfs/dbraw/zinc/01/84/80/190018480.db2.gz IFIYMVMXBZRNBA-UHFFFAOYSA-N 1 1 267.398 1.551 40 0 CDABMO COc1ccc([C@@H]2CN(Cc3cnccn3)CC[N@@H+]2C)cc1 ZINC000257268355 190023684 /nfs/dbraw/zinc/02/36/84/190023684.db2.gz MLIVEAMDHARKLS-KRWDZBQOSA-N 1 1 298.390 1.974 40 0 CDABMO COc1ccc([C@@H]2CN(Cc3cnccn3)CC[N@H+]2C)cc1 ZINC000257268355 190023685 /nfs/dbraw/zinc/02/36/85/190023685.db2.gz MLIVEAMDHARKLS-KRWDZBQOSA-N 1 1 298.390 1.974 40 0 CDABMO CNc1nccnc1[C@H]1C[N@@H+](C2CCCC2)CCO1 ZINC000257313874 190031883 /nfs/dbraw/zinc/03/18/83/190031883.db2.gz UULLVUIWODDCAX-GFCCVEGCSA-N 1 1 262.357 1.834 40 0 CDABMO CNc1nccnc1[C@H]1C[N@H+](C2CCCC2)CCO1 ZINC000257313874 190031884 /nfs/dbraw/zinc/03/18/84/190031884.db2.gz UULLVUIWODDCAX-GFCCVEGCSA-N 1 1 262.357 1.834 40 0 CDABMO Cc1cncc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257332985 190035487 /nfs/dbraw/zinc/03/54/87/190035487.db2.gz XZNZYVJBFYGIKR-LBPRGKRZSA-N 1 1 257.341 1.888 40 0 CDABMO Cc1cncc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257332985 190035488 /nfs/dbraw/zinc/03/54/88/190035488.db2.gz XZNZYVJBFYGIKR-LBPRGKRZSA-N 1 1 257.341 1.888 40 0 CDABMO C[N@H+]1CCC[C@@](O)(CN2CCCc3ccccc32)C1 ZINC000040715100 378606506 /nfs/dbraw/zinc/60/65/06/378606506.db2.gz XHIKUFFARCIEDD-INIZCTEOSA-N 1 1 260.381 1.896 40 0 CDABMO C[C@@H]1C[C@H]2CC(=O)[C@H]3CCC[N@H+]4CCC[C@@]2(O)[C@]34C1 ZINC000071789561 379637487 /nfs/dbraw/zinc/63/74/87/379637487.db2.gz DBMXKPOCXQNWOQ-WALBABNVSA-N 1 1 263.381 1.981 40 0 biogenic CDABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@H]12 ZINC000096251823 256834762 /nfs/dbraw/zinc/83/47/62/256834762.db2.gz BSRQBGMBKLMXBC-LSDHHAIUSA-N 1 1 294.420 1.294 40 0 CDABMO C[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216357 390620953 /nfs/dbraw/zinc/62/09/53/390620953.db2.gz SWJQOOXJCRPJOU-AWEZNQCLSA-N 1 1 260.385 1.648 40 0 CDABMO CCOc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)cc1 ZINC000072397640 390628358 /nfs/dbraw/zinc/62/83/58/390628358.db2.gz QQIFUIXIROAAQF-VNQPRFMTSA-N 1 1 290.407 1.725 40 0 CDABMO CCn1ncc2c1[C@@H](COC)C[N@@H+](CC1CCOCC1)C2 ZINC000096060166 390912431 /nfs/dbraw/zinc/91/24/31/390912431.db2.gz YBRPUZGRFWIHCW-OAHLLOKOSA-N 1 1 293.411 1.875 40 0 CDABMO COC(=O)c1ccc(Cl)c(NC(=O)C[NH+](C)C)c1 ZINC000014152878 391203824 /nfs/dbraw/zinc/20/38/24/391203824.db2.gz YDCVCCWQEVZDLV-UHFFFAOYSA-N 1 1 270.716 1.627 40 0 CDABMO Cn1cc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)cn1 ZINC000108222856 393013357 /nfs/dbraw/zinc/01/33/57/393013357.db2.gz NCAMOZYNKFWSLB-CVEARBPZSA-N 1 1 290.411 1.105 40 0 CDABMO CC[NH+]1CCN(C(=O)COc2ccccc2F)CC1 ZINC000019527872 170826154 /nfs/dbraw/zinc/82/61/54/170826154.db2.gz DLTGFPBTTHHKIF-UHFFFAOYSA-N 1 1 266.316 1.369 40 0 CDABMO O=C(CN1CCOCC1)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000020458668 171209054 /nfs/dbraw/zinc/20/90/54/171209054.db2.gz SDSXUQAOBNTGTH-CABCVRRESA-N 1 1 296.411 1.126 40 0 CDABMO CCN(CC)CC[NH2+]CC(=O)N1CCc2ccccc21 ZINC000022586238 171393172 /nfs/dbraw/zinc/39/31/72/171393172.db2.gz WOHBCDZPLWCCEH-UHFFFAOYSA-N 1 1 275.396 1.507 40 0 CDABMO COc1ncc(C[N@@H+]2CCC[C@@H](c3cncc(C)n3)C2)cn1 ZINC000072364462 176379448 /nfs/dbraw/zinc/37/94/48/176379448.db2.gz DFAUHMJVQICBJY-CQSZACIVSA-N 1 1 299.378 1.963 40 0 CDABMO COc1ncc(C[N@H+]2CCC[C@@H](c3cncc(C)n3)C2)cn1 ZINC000072364462 176379450 /nfs/dbraw/zinc/37/94/50/176379450.db2.gz DFAUHMJVQICBJY-CQSZACIVSA-N 1 1 299.378 1.963 40 0 CDABMO Cc1ccccc1OC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072367787 176382965 /nfs/dbraw/zinc/38/29/65/176382965.db2.gz YECAZPPPFCCAAV-CYBMUJFWSA-N 1 1 262.353 1.571 40 0 CDABMO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000072380891 176387243 /nfs/dbraw/zinc/38/72/43/176387243.db2.gz NAUQCLFQSMEDEH-GFCCVEGCSA-N 1 1 297.424 1.793 40 0 CDABMO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000072380891 176387245 /nfs/dbraw/zinc/38/72/45/176387245.db2.gz NAUQCLFQSMEDEH-GFCCVEGCSA-N 1 1 297.424 1.793 40 0 CDABMO COC[C@H]1CC[N@@H+](C)C2(CN(C(=O)CC(C)C)C2)C1 ZINC000306125194 293214234 /nfs/dbraw/zinc/21/42/34/293214234.db2.gz CISPDMZACOVLRI-ZDUSSCGKSA-N 1 1 268.401 1.602 40 0 CDABMO O=C1C[C@H]([NH2+]Cc2ncc[nH]2)CN1c1ccccc1 ZINC000238112462 527029397 /nfs/dbraw/zinc/02/93/97/527029397.db2.gz PQVQWNOIFMSNPF-NSHDSACASA-N 1 1 256.309 1.305 40 0 CDABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000169957694 839777845 /nfs/dbraw/zinc/77/78/45/839777845.db2.gz DMRJYLJTODXKLN-NSHDSACASA-N 1 1 278.352 1.984 40 0 CDABMO CC(=O)NC1CCC(N2CC[NH+](CC3CC3)CC2)CC1 ZINC001560403759 960944953 /nfs/dbraw/zinc/94/49/53/960944953.db2.gz QEYBOWCMMAQMKL-UHFFFAOYSA-N 1 1 278.420 1.625 40 0 CDABMO CCOc1ccc([C@H]([NH3+])c2ncn(C)n2)cc1OC ZINC000095534348 185006093 /nfs/dbraw/zinc/00/60/93/185006093.db2.gz MPEKBLRPZMGGGZ-LBPRGKRZSA-N 1 1 262.313 1.271 40 0 CDABMO COc1ccc([C@H]([NH3+])c2nc(-c3ccccn3)n[nH]2)cc1 ZINC000095533680 185007043 /nfs/dbraw/zinc/00/70/43/185007043.db2.gz NXXSPFONBYNVRV-ZDUSSCGKSA-N 1 1 281.319 1.923 40 0 CDABMO COCC[N@H+]1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096041830 185070055 /nfs/dbraw/zinc/07/00/55/185070055.db2.gz AOWLAZJHOIANGD-ARFHVFGLSA-N 1 1 292.379 1.476 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3)CC2)cn1 ZINC000096047442 185072276 /nfs/dbraw/zinc/07/22/76/185072276.db2.gz GVHQKHFCAFRZRA-CQSZACIVSA-N 1 1 262.357 1.055 40 0 CDABMO CS(=O)(=O)N1CCCC12CC[NH+](Cc1ccco1)CC2 ZINC000096049341 185072341 /nfs/dbraw/zinc/07/23/41/185072341.db2.gz AEWTWELPPUKRMZ-UHFFFAOYSA-N 1 1 298.408 1.670 40 0 CDABMO CCn1cc2c(n1)[C@@H](COC)C[N@H+](CC1CCOCC1)C2 ZINC000096059897 185081836 /nfs/dbraw/zinc/08/18/36/185081836.db2.gz BUBIHSRLPNNBIV-OAHLLOKOSA-N 1 1 293.411 1.875 40 0 CDABMO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH]cn1)C2 ZINC000096073421 185088676 /nfs/dbraw/zinc/08/86/76/185088676.db2.gz CIRNHUGSLSPKBC-ZFWWWQNUSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH]cn1)C2 ZINC000096073421 185088678 /nfs/dbraw/zinc/08/86/78/185088678.db2.gz CIRNHUGSLSPKBC-ZFWWWQNUSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnc[nH]1)C2 ZINC000096073421 185088680 /nfs/dbraw/zinc/08/86/80/185088680.db2.gz CIRNHUGSLSPKBC-ZFWWWQNUSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC000096073421 185088682 /nfs/dbraw/zinc/08/86/82/185088682.db2.gz CIRNHUGSLSPKBC-ZFWWWQNUSA-N 1 1 279.384 1.817 40 0 CDABMO CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N3C)CC2)cn1 ZINC000585100088 342211800 /nfs/dbraw/zinc/21/18/00/342211800.db2.gz FLDFSLNANWYHJE-INIZCTEOSA-N 1 1 290.411 1.880 40 0 CDABMO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](C(C)C)C[C@@H]21 ZINC000585109786 342213175 /nfs/dbraw/zinc/21/31/75/342213175.db2.gz UINXGFQSMRDWOG-YQQAZPJKSA-N 1 1 288.391 1.928 40 0 CDABMO C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 ZINC000585109723 342213229 /nfs/dbraw/zinc/21/32/29/342213229.db2.gz LSDMOINVPOPQBN-FETCWVNDSA-N 1 1 286.375 1.274 40 0 CDABMO Cc1cccc(OC[C@@]2(O)COCC[N@H+](C(C)C)C2)c1 ZINC000585269109 342254536 /nfs/dbraw/zinc/25/45/36/342254536.db2.gz KDIZVAKGTCESJY-INIZCTEOSA-N 1 1 279.380 1.846 40 0 CDABMO CNC(=O)C[C@]1(COC)CCC[N@H+]1Cc1ncccc1F ZINC000585276770 342256360 /nfs/dbraw/zinc/25/63/60/342256360.db2.gz IOWDUQKENUIWSW-HNNXBMFYSA-N 1 1 295.358 1.338 40 0 CDABMO C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[N@H+]1Cc1cccc2ccccc21 ZINC000585293889 342259993 /nfs/dbraw/zinc/25/99/93/342259993.db2.gz BNBVMPHPKJIAAF-RGXXSHLXSA-N 1 1 287.359 1.127 40 0 CDABMO O=C(COC[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCOCC1 ZINC000253493688 342429808 /nfs/dbraw/zinc/42/98/08/342429808.db2.gz UZCRBOXJXRSIAX-HUUCEWRRSA-N 1 1 296.411 1.126 40 0 CDABMO Cn1ccnc1C[N@H+](C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257201173 362576528 /nfs/dbraw/zinc/57/65/28/362576528.db2.gz AGPOKCZIXRGJII-CQSZACIVSA-N 1 1 285.395 1.916 40 0 CDABMO Cn1ccnc1C[N@@H+](C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257201173 362576540 /nfs/dbraw/zinc/57/65/40/362576540.db2.gz AGPOKCZIXRGJII-CQSZACIVSA-N 1 1 285.395 1.916 40 0 CDABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccccn2)N1c1cncnc1 ZINC000107800239 186191455 /nfs/dbraw/zinc/19/14/55/186191455.db2.gz XJBGVXAKVUSHQZ-LSDHHAIUSA-N 1 1 295.346 1.251 40 0 CDABMO Cc1cc([C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)[nH]n1 ZINC000328680037 202008443 /nfs/dbraw/zinc/00/84/43/202008443.db2.gz NJHJLHRCPNPNDQ-GFCCVEGCSA-N 1 1 287.367 1.780 40 0 CDABMO NC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000001664907 355945111 /nfs/dbraw/zinc/94/51/11/355945111.db2.gz YSDMBLLTRZYVKV-LLVKDONJSA-N 1 1 257.337 1.865 40 0 CDABMO CCOC(=O)C[C@@H](c1ccccc1)[C@@H]([NH3+])C(=O)OCC ZINC000019203263 356476275 /nfs/dbraw/zinc/47/62/75/356476275.db2.gz BZCRUBBKJPOKBI-GXTWGEPZSA-N 1 1 279.336 1.614 40 0 CDABMO Cc1nonc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000019558855 356491240 /nfs/dbraw/zinc/49/12/40/356491240.db2.gz AJESEGAELQESAY-LLVKDONJSA-N 1 1 290.323 1.538 40 0 CDABMO C[NH+]1CCN(CC(=O)c2ccc(Cl)cc2)CC1 ZINC000034981381 356825283 /nfs/dbraw/zinc/82/52/83/356825283.db2.gz LKLFMHJEFWOGRB-UHFFFAOYSA-N 1 1 252.745 1.770 40 0 CDABMO COc1ccc(OCCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000048533974 357189139 /nfs/dbraw/zinc/18/91/39/357189139.db2.gz BOVQWZFKYQPZCQ-UHFFFAOYSA-N 1 1 292.379 1.628 40 0 CDABMO Cc1ccc(C(=O)N2CC3(C2)C[C@H](CO)C[N@@H+]3C)cc1F ZINC000585093817 358098688 /nfs/dbraw/zinc/09/86/88/358098688.db2.gz HLRCQEFDDONVJI-LBPRGKRZSA-N 1 1 292.354 1.273 40 0 CDABMO CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+](CC1CC1)C2 ZINC000096050231 358707542 /nfs/dbraw/zinc/70/75/42/358707542.db2.gz MAIBPRJJOSTXFY-SFHVURJKSA-N 1 1 299.418 1.820 40 0 CDABMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1CCOC1 ZINC000096184590 358714052 /nfs/dbraw/zinc/71/40/52/358714052.db2.gz FVUCYKDGHVQXKR-UHTWSYAYSA-N 1 1 293.392 1.221 40 0 CDABMO Cc1nnc(C[C@@H]2OC[C@H]3C[N@H+](C4CCC4)CC[C@H]32)o1 ZINC000096207534 358719983 /nfs/dbraw/zinc/71/99/83/358719983.db2.gz UTGFYRBETRGTOR-BNOWGMLFSA-N 1 1 277.368 1.810 40 0 CDABMO CC(C)[N@H+]1CCC[C@@]2(CCCN2S(C)(=O)=O)C1 ZINC000096214930 358721120 /nfs/dbraw/zinc/72/11/20/358721120.db2.gz YTQOWJYDRYCGST-GFCCVEGCSA-N 1 1 260.403 1.285 40 0 CDABMO Cc1cccc(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)N(C)C)C2)n1 ZINC000096228627 358724247 /nfs/dbraw/zinc/72/42/47/358724247.db2.gz SYWZZOGEMGYICF-GDBMZVCRSA-N 1 1 273.380 1.690 40 0 CDABMO Cc1ncnc2c1CC[N@@H+](Cc1cccnc1)CC2 ZINC000096254958 358728033 /nfs/dbraw/zinc/72/80/33/358728033.db2.gz YNRBLBIZVNLHTH-UHFFFAOYSA-N 1 1 254.337 1.781 40 0 CDABMO O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@@H+](CC2CC2)C1 ZINC000015674060 360734615 /nfs/dbraw/zinc/73/46/15/360734615.db2.gz CHDLMXGXJBGRNC-PWSUYJOCSA-N 1 1 287.323 1.044 40 0 biogenic,in-vitro CDABMO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@H]1COCC[NH2+]1 ZINC000225488919 374496684 /nfs/dbraw/zinc/49/66/84/374496684.db2.gz FXXUPBAXIYYWAM-BPLDGKMQSA-N 1 1 274.364 1.379 40 0 CDABMO CC[C@H](O)C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000079350360 374795978 /nfs/dbraw/zinc/79/59/78/374795978.db2.gz MEEUTZYNJPJZMG-VIFPVBQESA-N 1 1 272.286 1.275 40 0 CDABMO COc1ccc([C@]23CCC(=O)N2CC[NH2+]3)cc1OC ZINC000256027811 190002456 /nfs/dbraw/zinc/00/24/56/190002456.db2.gz DDLNCEMPSUIBCI-AWEZNQCLSA-N 1 1 262.309 1.082 40 0 CDABMO COc1ccccc1C[N@H+]1C[C@H](O)[C@]2(CCCO2)C1 ZINC000257204988 190011747 /nfs/dbraw/zinc/01/17/47/190011747.db2.gz AXDIQIOYALNIEN-GJZGRUSLSA-N 1 1 263.337 1.421 40 0 CDABMO Cn1cc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257210209 190012303 /nfs/dbraw/zinc/01/23/03/190012303.db2.gz BTQWUVZYPKCXSJ-INIZCTEOSA-N 1 1 270.380 1.909 40 0 CDABMO Cn1cc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)cn1 ZINC000257210209 190012305 /nfs/dbraw/zinc/01/23/05/190012305.db2.gz BTQWUVZYPKCXSJ-INIZCTEOSA-N 1 1 270.380 1.909 40 0 CDABMO Cn1cc(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)cn1 ZINC000257210209 190012306 /nfs/dbraw/zinc/01/23/06/190012306.db2.gz BTQWUVZYPKCXSJ-INIZCTEOSA-N 1 1 270.380 1.909 40 0 CDABMO C[C@H]1C(=O)N(C)CC[N@H+]1CCCCC1CCOCC1 ZINC000225628743 375698057 /nfs/dbraw/zinc/69/80/57/375698057.db2.gz UEFRLNSBKFGCFW-ZDUSSCGKSA-N 1 1 268.401 1.746 40 0 CDABMO C[C@H]1C(=O)N(C)CC[N@@H+]1CCCCC1CCOCC1 ZINC000225628743 375698064 /nfs/dbraw/zinc/69/80/64/375698064.db2.gz UEFRLNSBKFGCFW-ZDUSSCGKSA-N 1 1 268.401 1.746 40 0 CDABMO CCOCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257236023 190016744 /nfs/dbraw/zinc/01/67/44/190016744.db2.gz HANLRJWLQBGLRN-ZFWWWQNUSA-N 1 1 268.401 1.888 40 0 CDABMO C[C@]1(O)C[N@@H+](CCO)CC[C@@H]1Oc1cccc(F)c1 ZINC000257233623 190017013 /nfs/dbraw/zinc/01/70/13/190017013.db2.gz GQACYCORNISSSC-KBPBESRZSA-N 1 1 269.316 1.022 40 0 CDABMO COc1cccc(C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)c1F ZINC000257238528 190017597 /nfs/dbraw/zinc/01/75/97/190017597.db2.gz HLLNXRCRSXQJJZ-HOCLYGCPSA-N 1 1 295.354 1.950 40 0 CDABMO COc1cccc(C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)c1F ZINC000257238528 190017598 /nfs/dbraw/zinc/01/75/98/190017598.db2.gz HLLNXRCRSXQJJZ-HOCLYGCPSA-N 1 1 295.354 1.950 40 0 CDABMO CN(Cc1ccc(F)cc1)C(=O)[C@]1(C)C[N@H+](C)CCO1 ZINC000257239833 190017831 /nfs/dbraw/zinc/01/78/31/190017831.db2.gz HQZCPBVROCPHRD-HNNXBMFYSA-N 1 1 280.343 1.505 40 0 CDABMO CN(Cc1ccc(F)cc1)C(=O)[C@]1(C)C[N@@H+](C)CCO1 ZINC000257239833 190017832 /nfs/dbraw/zinc/01/78/32/190017832.db2.gz HQZCPBVROCPHRD-HNNXBMFYSA-N 1 1 280.343 1.505 40 0 CDABMO Cn1ccnc1-c1nccnc1C[C@H]1CCC[N@@H+](C)C1 ZINC000257326727 190034529 /nfs/dbraw/zinc/03/45/29/190034529.db2.gz WYJJQFDELCXILW-GFCCVEGCSA-N 1 1 271.368 1.761 40 0 CDABMO OCc1cc(CC2([NH2+]Cc3ccc(F)cc3)COC2)no1 ZINC000067898060 377286435 /nfs/dbraw/zinc/28/64/35/377286435.db2.gz RGVNQUDMWPAGMR-UHFFFAOYSA-N 1 1 292.310 1.407 40 0 biogenic,in-vitro CDABMO O[C@H]1CC=C2CC[N@H+]3Cc4cc5c(cc4[C@H]1[C@H]23)OCO5 ZINC000005734931 285361391 /nfs/dbraw/zinc/36/13/91/285361391.db2.gz XKYSLILSDJBMCU-MAZHCROVSA-N 1 1 271.316 1.778 40 0 CDABMO COC[C@@H]1C[N@H+](Cc2scnc2C)Cc2cn(C)nc21 ZINC000106813306 390556855 /nfs/dbraw/zinc/55/68/55/390556855.db2.gz QWFDNBLLZUPOCG-LBPRGKRZSA-N 1 1 292.408 1.931 40 0 CDABMO COC[C@@H]1C[N@@H+](Cc2scnc2C)Cc2cn(C)nc21 ZINC000106813306 390556857 /nfs/dbraw/zinc/55/68/57/390556857.db2.gz QWFDNBLLZUPOCG-LBPRGKRZSA-N 1 1 292.408 1.931 40 0 CDABMO Cc1cc(=O)[nH]c2c1c(=O)[nH]n2[C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000008586240 390968943 /nfs/dbraw/zinc/96/89/43/390968943.db2.gz MVFIEUFRENOXDE-DCAQKATOSA-N 1 1 290.367 1.228 40 0 CDABMO CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000195575879 391390308 /nfs/dbraw/zinc/39/03/08/391390308.db2.gz LVHKJWZGIVLNCW-MCIONIFRSA-N 1 1 286.441 1.602 40 0 CDABMO CC(C)[N@H+]1Cc2ncn(C)c2[C@H](C(=O)N2CC=CC2)C1 ZINC000248029395 391426001 /nfs/dbraw/zinc/42/60/01/391426001.db2.gz KQHJNQFFKOOCRS-GFCCVEGCSA-N 1 1 274.368 1.126 40 0 CDABMO CC(C)[N@@H+]1Cc2ncn(C)c2[C@H](C(=O)N2CC=CC2)C1 ZINC000248029395 391426002 /nfs/dbraw/zinc/42/60/02/391426002.db2.gz KQHJNQFFKOOCRS-GFCCVEGCSA-N 1 1 274.368 1.126 40 0 CDABMO C[N@@H+]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1ccccc1 ZINC000074563385 397943831 /nfs/dbraw/zinc/94/38/31/397943831.db2.gz CQKJYQJGKUEKNF-AWEZNQCLSA-N 1 1 298.346 1.311 40 0 CDABMO C[N@H+]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1ccccc1 ZINC000074563385 397943835 /nfs/dbraw/zinc/94/38/35/397943835.db2.gz CQKJYQJGKUEKNF-AWEZNQCLSA-N 1 1 298.346 1.311 40 0 CDABMO Cn1nc(C(=O)N2CCC[N@@H+](CC3CC3)CC2)cc1Cl ZINC000072254254 176350336 /nfs/dbraw/zinc/35/03/36/176350336.db2.gz JBYDIOUVJHFTLY-UHFFFAOYSA-N 1 1 296.802 1.631 40 0 CDABMO Cc1cc(CCC(=O)N(C)C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072366409 176381194 /nfs/dbraw/zinc/38/11/94/176381194.db2.gz BJOUBLLRPHBSPO-CYBMUJFWSA-N 1 1 290.411 1.615 40 0 CDABMO Cc1cccc(C[C@H]2COCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000072388159 176393117 /nfs/dbraw/zinc/39/31/17/176393117.db2.gz SNJLXZYYVHZRHA-CQSZACIVSA-N 1 1 286.379 1.804 40 0 CDABMO Cc1cccc(C[C@H]2COCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000072388159 176393119 /nfs/dbraw/zinc/39/31/19/176393119.db2.gz SNJLXZYYVHZRHA-CQSZACIVSA-N 1 1 286.379 1.804 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccccc1F ZINC000072397630 176395137 /nfs/dbraw/zinc/39/51/37/176395137.db2.gz NATSZFVMWUSTQR-MRVWCRGKSA-N 1 1 264.344 1.465 40 0 CDABMO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC[NH+](C)CC1 ZINC000022585639 278492333 /nfs/dbraw/zinc/49/23/33/278492333.db2.gz ULCMUCMZJIMHJG-CHWSQXEVSA-N 1 1 253.390 1.023 40 0 CDABMO Cc1cccc(N2CCC[C@H](NC(=O)c3ccno3)C2)[nH+]1 ZINC000257284896 281226621 /nfs/dbraw/zinc/22/66/21/281226621.db2.gz PETONFQKMYGXFP-LBPRGKRZSA-N 1 1 286.335 1.777 40 0 CDABMO C[N@H+]1CCCC[C@@H]1C1CCN(C(=O)Cn2cncn2)CC1 ZINC000019746596 342540616 /nfs/dbraw/zinc/54/06/16/342540616.db2.gz YOZWZCHKCVSZBE-CQSZACIVSA-N 1 1 291.399 1.001 40 0 CDABMO C[NH+]1CCC2(CCCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC000096071781 185086234 /nfs/dbraw/zinc/08/62/34/185086234.db2.gz TZXSIDJEWVIMCR-UHFFFAOYSA-N 1 1 262.357 1.358 40 0 CDABMO Cc1cc(F)ccc1C(=O)N1C[C@@H]2C[N@@H+](C)CCO[C@@H]2C1 ZINC000096107946 185099192 /nfs/dbraw/zinc/09/91/92/185099192.db2.gz XSKONUMQJQIDGX-SWLSCSKDSA-N 1 1 292.354 1.537 40 0 CDABMO CN1C[C@@]2(CCC[N@@H+](CC3CC(F)(F)C3)C2)C1=O ZINC000585099565 342212212 /nfs/dbraw/zinc/21/22/12/342212212.db2.gz PRZWISQEABXXDC-GFCCVEGCSA-N 1 1 258.312 1.586 40 0 CDABMO COCc1ccc([C@@H]2CCC[N@H+]2C[C@](C)(O)C(C)=O)o1 ZINC000332386907 362501301 /nfs/dbraw/zinc/50/13/01/362501301.db2.gz QCEOFVMKDGVYEC-ZFWWWQNUSA-N 1 1 281.352 1.903 40 0 CDABMO COC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000062161073 363032832 /nfs/dbraw/zinc/03/28/32/363032832.db2.gz QZQALMPFBLRJOI-NSHDSACASA-N 1 1 267.325 1.925 40 0 CDABMO CC(C)[N@@H+](CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393522 356989053 /nfs/dbraw/zinc/98/90/53/356989053.db2.gz VCXQSAHZUMWOIS-MRXNPFEDSA-N 1 1 262.397 1.964 40 0 CDABMO Cc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)ncn1 ZINC000072385522 357831835 /nfs/dbraw/zinc/83/18/35/357831835.db2.gz AEUDVQBTDBRCKF-CYBMUJFWSA-N 1 1 271.368 1.978 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccccc1F ZINC000072397566 357832942 /nfs/dbraw/zinc/83/29/42/357832942.db2.gz NATSZFVMWUSTQR-IACUBPJLSA-N 1 1 264.344 1.465 40 0 CDABMO c1cnc(N2CCC[C@@]3(C2)C[N@@H+](CC2CC2)CCO3)cn1 ZINC000096049171 358706459 /nfs/dbraw/zinc/70/64/59/358706459.db2.gz AAGKATQPSPHTCY-INIZCTEOSA-N 1 1 288.395 1.558 40 0 CDABMO CN(C)[C@@H]1C[N@H+](Cc2ccncc2)[C@@H]2CCCO[C@H]12 ZINC000096185756 358714101 /nfs/dbraw/zinc/71/41/01/358714101.db2.gz UUXQQYBSVQSUDO-KFWWJZLASA-N 1 1 261.369 1.375 40 0 CDABMO CN(C)[C@@H]1C[N@@H+](Cc2ccncc2)[C@@H]2CCCO[C@H]12 ZINC000096185756 358714103 /nfs/dbraw/zinc/71/41/03/358714103.db2.gz UUXQQYBSVQSUDO-KFWWJZLASA-N 1 1 261.369 1.375 40 0 CDABMO CN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096185835 358714143 /nfs/dbraw/zinc/71/41/43/358714143.db2.gz GTFGDXFGCGLVHF-MGPQQGTHSA-N 1 1 293.367 1.283 40 0 CDABMO CN(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096185835 358714146 /nfs/dbraw/zinc/71/41/46/358714146.db2.gz GTFGDXFGCGLVHF-MGPQQGTHSA-N 1 1 293.367 1.283 40 0 CDABMO C[N@H+]1C[C@@H]2C[NH+](Cc3ccsc3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185147 358714238 /nfs/dbraw/zinc/71/42/38/358714238.db2.gz AZMNDBPYGGJBRF-HIFRSBDPSA-N 1 1 294.420 1.977 40 0 CDABMO C[NH+]1C[C@@H]2C[N@H+](Cc3ccsc3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185147 358714239 /nfs/dbraw/zinc/71/42/39/358714239.db2.gz AZMNDBPYGGJBRF-HIFRSBDPSA-N 1 1 294.420 1.977 40 0 CDABMO C[NH+]1C[C@@H]2C[N@@H+](Cc3ccsc3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185147 358714241 /nfs/dbraw/zinc/71/42/41/358714241.db2.gz AZMNDBPYGGJBRF-HIFRSBDPSA-N 1 1 294.420 1.977 40 0 CDABMO CO[C@@H]1CC[N@H+](Cc2nccn2C)[C@H]1Cc1cccnc1 ZINC000096200135 358718441 /nfs/dbraw/zinc/71/84/41/358718441.db2.gz BWOWMMVDWMPFDJ-LSDHHAIUSA-N 1 1 286.379 1.647 40 0 CDABMO CO[C@@H]1CC[N@@H+](Cc2nccn2C)[C@H]1Cc1cccnc1 ZINC000096200135 358718443 /nfs/dbraw/zinc/71/84/43/358718443.db2.gz BWOWMMVDWMPFDJ-LSDHHAIUSA-N 1 1 286.379 1.647 40 0 CDABMO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](C4CCOCC4)C[C@H]3O2)n1 ZINC000096218171 358722427 /nfs/dbraw/zinc/72/24/27/358722427.db2.gz WZHZCOOHEKJFFC-FPMFFAJLSA-N 1 1 293.367 1.189 40 0 CDABMO CC[N@H+]1CCOCC12CCN(C(=O)C1CCCC1)CC2 ZINC000096226160 358723291 /nfs/dbraw/zinc/72/32/91/358723291.db2.gz NTLUOZDQKCISOS-UHFFFAOYSA-N 1 1 280.412 1.890 40 0 CDABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C)[C@@H]2C1 ZINC000096251816 358727322 /nfs/dbraw/zinc/72/73/22/358727322.db2.gz DVLZWPLMKDAPIO-HZPDHXFCSA-N 1 1 258.365 1.881 40 0 CDABMO Cn1cc(CN2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)cn1 ZINC000108534286 359047377 /nfs/dbraw/zinc/04/73/77/359047377.db2.gz OATBZMYTQMFXBG-HOTGVXAUSA-N 1 1 290.411 1.105 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)cn1 ZINC000108534286 359047379 /nfs/dbraw/zinc/04/73/79/359047379.db2.gz OATBZMYTQMFXBG-HOTGVXAUSA-N 1 1 290.411 1.105 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)cn1 ZINC000108534286 359047381 /nfs/dbraw/zinc/04/73/81/359047381.db2.gz OATBZMYTQMFXBG-HOTGVXAUSA-N 1 1 290.411 1.105 40 0 CDABMO CCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCO)C1 ZINC000079407957 284193422 /nfs/dbraw/zinc/19/34/22/284193422.db2.gz ZRDOOJASGDMATQ-LLVKDONJSA-N 1 1 258.362 1.310 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCCCC1 ZINC000339577701 371920095 /nfs/dbraw/zinc/92/00/95/371920095.db2.gz IDPHKBPTFHOWIN-CYBMUJFWSA-N 1 1 281.400 1.036 40 0 CDABMO COC[C@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218462329 372827188 /nfs/dbraw/zinc/82/71/88/372827188.db2.gz BVYZNJDIDHFNJL-SRVKXCTJSA-N 1 1 289.784 1.194 40 0 CDABMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1O ZINC000130746570 373511765 /nfs/dbraw/zinc/51/17/65/373511765.db2.gz HBSVJOMQOJJVQO-NEPJUHHUSA-N 1 1 275.352 1.486 40 0 CDABMO OC[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000225400293 374286965 /nfs/dbraw/zinc/28/69/65/374286965.db2.gz ZGRRBGYRSBKYBW-VHSXEESVSA-N 1 1 289.734 1.285 40 0 CDABMO COC(=O)CCC(C)(C)NC(=O)C[N@@H+](C)C(C)C ZINC000079310522 374789894 /nfs/dbraw/zinc/78/98/94/374789894.db2.gz AABCJZASIVFJIA-UHFFFAOYSA-N 1 1 258.362 1.175 40 0 CDABMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccnc2)CC1 ZINC000080780298 374988821 /nfs/dbraw/zinc/98/88/21/374988821.db2.gz IXRVJGZZOIGTKZ-CYBMUJFWSA-N 1 1 278.356 1.002 40 0 CDABMO CCN(CC)CC[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256050492 190003187 /nfs/dbraw/zinc/00/31/87/190003187.db2.gz FFMNCZJSAZYLLI-UHFFFAOYSA-N 1 1 274.359 1.888 40 0 CDABMO CCn1nc(C)c(C[NH2+]Cc2cnn(C)c2)c1F ZINC000256052574 190004231 /nfs/dbraw/zinc/00/42/31/190004231.db2.gz NWHWVIPCPMWKDF-UHFFFAOYSA-N 1 1 251.309 1.374 40 0 CDABMO Cc1nn(C)cc1C[NH2+]Cc1cc(C(C)C)nn1C ZINC000256053074 190004502 /nfs/dbraw/zinc/00/45/02/190004502.db2.gz PVWZDIDPJOBHSF-UHFFFAOYSA-N 1 1 261.373 1.875 40 0 CDABMO CCCn1cc(C[N@@H+]2C[C@H](O)[C@]3(CCCO3)C2)cn1 ZINC000257221132 190014878 /nfs/dbraw/zinc/01/48/78/190014878.db2.gz DNQHPEFQBQXGLR-KBPBESRZSA-N 1 1 265.357 1.019 40 0 CDABMO CCCn1cc(C[N@H+]2C[C@H](O)[C@]3(CCCO3)C2)cn1 ZINC000257221132 190014879 /nfs/dbraw/zinc/01/48/79/190014879.db2.gz DNQHPEFQBQXGLR-KBPBESRZSA-N 1 1 265.357 1.019 40 0 CDABMO CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@H]12 ZINC000257227640 190015210 /nfs/dbraw/zinc/01/52/10/190015210.db2.gz FQFSRCXYEWQYLQ-VHDGCEQUSA-N 1 1 298.394 1.547 40 0 CDABMO C[N@H+]1CCN(Cc2cncnc2)C[C@@H]1c1ccccc1 ZINC000257225246 190015233 /nfs/dbraw/zinc/01/52/33/190015233.db2.gz FFKUEMUSGXJIJM-MRXNPFEDSA-N 1 1 268.364 1.965 40 0 CDABMO CN1C(=O)CO[C@H]2C[N@H+](Cc3c[nH]c4ccccc34)C[C@H]21 ZINC000067897249 377285952 /nfs/dbraw/zinc/28/59/52/377285952.db2.gz ABAKVXBVKOEXNX-CABCVRRESA-N 1 1 285.347 1.209 40 0 biogenic,in-vitro CDABMO Cc1cc(C[C@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)n[nH]1 ZINC000191360076 378028325 /nfs/dbraw/zinc/02/83/25/378028325.db2.gz XWIPBEPZLWXVSQ-JTQLQIEISA-N 1 1 276.388 1.785 40 0 CDABMO Cc1nn(C)c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000002761690 378053854 /nfs/dbraw/zinc/05/38/54/378053854.db2.gz IZVRCMVOADLQRE-SNVBAGLBSA-N 1 1 282.775 1.302 40 0 CDABMO O=C(c1ccno1)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2C1 ZINC000096249175 256834091 /nfs/dbraw/zinc/83/40/91/256834091.db2.gz VMGHUCVLQJLKGS-CHWSQXEVSA-N 1 1 275.352 1.479 40 0 CDABMO CO[C@@H]1CCCC[C@@H](NC(=O)C[N@@H+](C)C2CCCC2)[C@H]1O ZINC000257338711 391650143 /nfs/dbraw/zinc/65/01/43/391650143.db2.gz YYPQRPPULBDEIS-IIAWOOMASA-N 1 1 298.427 1.296 40 0 CDABMO Cc1ccc(CC[N@@H+](CC(N)=O)C[C@H]2CCCO2)cc1 ZINC000076000486 392513861 /nfs/dbraw/zinc/51/38/61/392513861.db2.gz VLMCQLFULRZOFQ-OAHLLOKOSA-N 1 1 276.380 1.504 40 0 CDABMO Cc1ccc(CC[N@H+](CC(N)=O)C[C@H]2CCCO2)cc1 ZINC000076000486 392513871 /nfs/dbraw/zinc/51/38/71/392513871.db2.gz VLMCQLFULRZOFQ-OAHLLOKOSA-N 1 1 276.380 1.504 40 0 CDABMO CCCCCC[N@@H+](C)CCOCCOCCOCCO ZINC000005417961 170096968 /nfs/dbraw/zinc/09/69/68/170096968.db2.gz BTHORWVWPJSATC-UHFFFAOYSA-N 1 1 291.432 1.541 40 0 CDABMO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+]1CCOCC1)C2 ZINC000035590746 172287355 /nfs/dbraw/zinc/28/73/55/172287355.db2.gz HDJZSUCCPSQOJP-ANQUJSFKSA-N 1 1 297.439 1.911 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@](C)(c3cc[nH]n3)C2)cn1 ZINC000072364285 176379395 /nfs/dbraw/zinc/37/93/95/176379395.db2.gz JYTCRLPQZJNMRE-CQSZACIVSA-N 1 1 259.357 1.697 40 0 CDABMO Cn1ccnc1C[N@@H+]1CC[C@@H](c2ccnc3nccn32)C1 ZINC000072368059 176382731 /nfs/dbraw/zinc/38/27/31/176382731.db2.gz NCJAFZFJWAIUAZ-GFCCVEGCSA-N 1 1 282.351 1.452 40 0 CDABMO Cn1ccnc1C[N@H+]1CC[C@@H](c2ccnc3nccn32)C1 ZINC000072368059 176382732 /nfs/dbraw/zinc/38/27/32/176382732.db2.gz NCJAFZFJWAIUAZ-GFCCVEGCSA-N 1 1 282.351 1.452 40 0 CDABMO C[N@@H+]1CCO[C@@](C)(C(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000072378291 176386100 /nfs/dbraw/zinc/38/61/00/176386100.db2.gz VEVYNKYLKIIACT-MRXNPFEDSA-N 1 1 289.379 1.293 40 0 CDABMO C[N@H+]1CCO[C@@](C)(C(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000072378291 176386101 /nfs/dbraw/zinc/38/61/01/176386101.db2.gz VEVYNKYLKIIACT-MRXNPFEDSA-N 1 1 289.379 1.293 40 0 CDABMO CCOc1ccccc1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@@H]1C ZINC000072397572 176395027 /nfs/dbraw/zinc/39/50/27/176395027.db2.gz YHFBDIDDXVRNDG-CWRNSKLLSA-N 1 1 290.407 1.725 40 0 CDABMO COc1ccccc1CN1C[C@H]2C[C@@H](O)C[N@H+]2C[C@H]1C ZINC000072397634 176395216 /nfs/dbraw/zinc/39/52/16/176395216.db2.gz MIZZOWWECZFPJS-BPLDGKMQSA-N 1 1 276.380 1.335 40 0 CDABMO CC[N@H+]1CCOCC12CCN(C(=O)C1CCC1)CC2 ZINC000096074599 276388891 /nfs/dbraw/zinc/38/88/91/276388891.db2.gz BQHQOGYGHDTCEV-UHFFFAOYSA-N 1 1 266.385 1.500 40 0 CDABMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000079407835 277200435 /nfs/dbraw/zinc/20/04/35/277200435.db2.gz YKHCEYSZRUBHOJ-LLVKDONJSA-N 1 1 258.362 1.358 40 0 CDABMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)C2CC2)cc1 ZINC000225454767 295240481 /nfs/dbraw/zinc/24/04/81/295240481.db2.gz XZPCCRNXGFUVHO-AWEZNQCLSA-N 1 1 298.408 1.380 40 0 CDABMO Cc1cc(N)nc([C@]2(C)CCC[N@H+]2C2CCOCC2)n1 ZINC000257203915 301330501 /nfs/dbraw/zinc/33/05/01/301330501.db2.gz ASEORVPFFWZQAR-HNNXBMFYSA-N 1 1 276.384 1.857 40 0 CDABMO CC(=O)N[C@@H]1C[N@H+](C)C2(C1)CC[NH+](C1CCCCC1)CC2 ZINC000019695873 342538526 /nfs/dbraw/zinc/53/85/26/342538526.db2.gz ORBXWUGYJAWTAH-HNNXBMFYSA-N 1 1 293.455 1.994 40 0 CDABMO CC(=O)N[C@@H]1CN(C)C2(C1)CC[NH+](C1CCCCC1)CC2 ZINC000019695873 342538527 /nfs/dbraw/zinc/53/85/27/342538527.db2.gz ORBXWUGYJAWTAH-HNNXBMFYSA-N 1 1 293.455 1.994 40 0 CDABMO CC(=O)N[C@@H]1C[N@@H+](C)C2(C1)CCN(C1CCCCC1)CC2 ZINC000019695873 342538528 /nfs/dbraw/zinc/53/85/28/342538528.db2.gz ORBXWUGYJAWTAH-HNNXBMFYSA-N 1 1 293.455 1.994 40 0 CDABMO CC(=O)N[C@@H]1C[N@H+](C)C2(C1)CCN(C1CCCCC1)CC2 ZINC000019695873 342538529 /nfs/dbraw/zinc/53/85/29/342538529.db2.gz ORBXWUGYJAWTAH-HNNXBMFYSA-N 1 1 293.455 1.994 40 0 CDABMO O=C(c1cscn1)N1CC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC000096054149 185075917 /nfs/dbraw/zinc/07/59/17/185075917.db2.gz VZTUBKOOKKNPRG-CHWSQXEVSA-N 1 1 291.420 1.947 40 0 CDABMO CN(C)[C@@H]1C[N@H+](Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096056316 185077468 /nfs/dbraw/zinc/07/74/68/185077468.db2.gz WEBKCJUPQZCEJY-MCIONIFRSA-N 1 1 250.342 1.573 40 0 CDABMO CN(C)[C@@H]1C[N@@H+](Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096056316 185077469 /nfs/dbraw/zinc/07/74/69/185077469.db2.gz WEBKCJUPQZCEJY-MCIONIFRSA-N 1 1 250.342 1.573 40 0 CDABMO O[C@@H]1CC[N@@H+](Cc2ccoc2)[C@H]1Cc1cccnc1 ZINC000096061600 185083184 /nfs/dbraw/zinc/08/31/84/185083184.db2.gz MTHAFHRGVFJDJV-LSDHHAIUSA-N 1 1 258.321 1.853 40 0 CDABMO Cc1cc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)n(C)n1 ZINC000096076140 185089040 /nfs/dbraw/zinc/08/90/40/185089040.db2.gz PQECDKOXLBPWBW-MRXNPFEDSA-N 1 1 298.394 1.373 40 0 CDABMO CCCNC(=O)[C@@H]1CCC[N@H+]1[C@H](CC(C)C)C(=O)NC ZINC000096112958 185100585 /nfs/dbraw/zinc/10/05/85/185100585.db2.gz KQTUTSTYFHOWHG-QWHCGFSZSA-N 1 1 283.416 1.138 40 0 biogenic,in-vitro CDABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103508 342212770 /nfs/dbraw/zinc/21/27/70/342212770.db2.gz HJCUHOJDAUKPOW-ZDUSSCGKSA-N 1 1 298.402 1.838 40 0 CDABMO Cc1ccccc1C[C@H]1CC[N@@H+](CCC(N)=O)C[C@@H]1O ZINC000585279811 342257695 /nfs/dbraw/zinc/25/76/95/342257695.db2.gz ZCDJHQMCQTYAHU-CABCVRRESA-N 1 1 276.380 1.096 40 0 CDABMO CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)[C@H]1[C@H]1CCCO1 ZINC000329856620 362073809 /nfs/dbraw/zinc/07/38/09/362073809.db2.gz UWQIHDXGDOXTNC-MJBXVCDLSA-N 1 1 279.384 1.133 40 0 CDABMO C[NH+]1CCN(C(=O)COC(=O)c2cccc(Cl)c2)CC1 ZINC000008091750 342354207 /nfs/dbraw/zinc/35/42/07/342354207.db2.gz PLLMULWZGQGPDI-UHFFFAOYSA-N 1 1 296.754 1.271 40 0 CDABMO C[N@@H+]1Cc2cccn2C[C@@H](C(=O)NCCc2ccncc2)C1 ZINC000248130482 362153016 /nfs/dbraw/zinc/15/30/16/362153016.db2.gz MZWASYCIULFPQA-HNNXBMFYSA-N 1 1 298.390 1.304 40 0 CDABMO Cn1cc(N2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]3C2=O)cn1 ZINC000107254554 186164680 /nfs/dbraw/zinc/16/46/80/186164680.db2.gz HVSBAXWWJADGDR-GXTWGEPZSA-N 1 1 274.368 1.115 40 0 CDABMO OC1(C[NH+]2CCC(c3ccn[nH]3)CC2)CCOCC1 ZINC000153009555 188058923 /nfs/dbraw/zinc/05/89/23/188058923.db2.gz WWHRGQVDGDWJNP-UHFFFAOYSA-N 1 1 265.357 1.131 40 0 CDABMO CC(C)N1CCO[C@@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000156170868 188246769 /nfs/dbraw/zinc/24/67/69/188246769.db2.gz SOKBCLLBRVHMEP-INIZCTEOSA-N 1 1 281.444 1.123 40 0 CDABMO Cc1c(C[N@H+]2CC[C@@H](C(=O)NC3CCCC3)C2)cnn1C ZINC000019747834 356498886 /nfs/dbraw/zinc/49/88/86/356498886.db2.gz CMSNPIJHMGFNMH-CYBMUJFWSA-N 1 1 290.411 1.609 40 0 CDABMO C[N@H+]1C[C@@H]2CN(C(=O)C3CCCC3)CCN2C(C)(C)C1 ZINC000253399627 283206934 /nfs/dbraw/zinc/20/69/34/283206934.db2.gz JSMWQHQBSYRBSU-CQSZACIVSA-N 1 1 279.428 1.413 40 0 biogenic,in-vitro CDABMO CN1C(SCc2ccccc2)=[NH+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508676 356780853 /nfs/dbraw/zinc/78/08/53/356780853.db2.gz PZGJULCPIZZAGY-NEPJUHHUSA-N 1 1 296.417 1.387 40 0 CDABMO CC(C)(C)OC(=O)c1ccccc1OC(=O)C[NH3+] ZINC000059070791 357421217 /nfs/dbraw/zinc/42/12/17/357421217.db2.gz NJVOPKKIFCCHNP-UHFFFAOYSA-N 1 1 251.282 1.506 40 0 CDABMO Cc1cc(N2CCN(Cc3ncc[nH]3)CC2)nc(C)[nH+]1 ZINC000072368009 357831195 /nfs/dbraw/zinc/83/11/95/357831195.db2.gz KYYAOVDFNXMTAD-UHFFFAOYSA-N 1 1 272.356 1.139 40 0 CDABMO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccn2)cn1 ZINC000096184599 358713880 /nfs/dbraw/zinc/71/38/80/358713880.db2.gz LHOXUAMSPGNSRW-DLBZAZTESA-N 1 1 297.406 1.664 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccccn2)cn1 ZINC000096184599 358713883 /nfs/dbraw/zinc/71/38/83/358713883.db2.gz LHOXUAMSPGNSRW-DLBZAZTESA-N 1 1 297.406 1.664 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccccn2)cn1 ZINC000096184599 358713884 /nfs/dbraw/zinc/71/38/84/358713884.db2.gz LHOXUAMSPGNSRW-DLBZAZTESA-N 1 1 297.406 1.664 40 0 CDABMO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3C2CCOCC2)s1 ZINC000096184896 358714064 /nfs/dbraw/zinc/71/40/64/358714064.db2.gz UYWZZSVPEPUZBS-NEPJUHHUSA-N 1 1 280.397 1.370 40 0 CDABMO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccoc1 ZINC000096184378 358714355 /nfs/dbraw/zinc/71/43/55/358714355.db2.gz CXHNJGLNPLPXCL-KGLIPLIRSA-N 1 1 277.368 1.016 40 0 CDABMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccoc1 ZINC000096184378 358714358 /nfs/dbraw/zinc/71/43/58/358714358.db2.gz CXHNJGLNPLPXCL-KGLIPLIRSA-N 1 1 277.368 1.016 40 0 CDABMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccoc1 ZINC000096184378 358714359 /nfs/dbraw/zinc/71/43/59/358714359.db2.gz CXHNJGLNPLPXCL-KGLIPLIRSA-N 1 1 277.368 1.016 40 0 CDABMO Cc1ccc2c([nH+]1)N(C)CCN(C(=O)NC1CC1)C2 ZINC000096199010 358716996 /nfs/dbraw/zinc/71/69/96/358716996.db2.gz FYLORNSIMGXGFW-UHFFFAOYSA-N 1 1 260.341 1.514 40 0 CDABMO CCc1cnc(N2CCO[C@@H]3C[N@@H+](C)CC[C@@H]3C2)nc1 ZINC000096249778 358726330 /nfs/dbraw/zinc/72/63/30/358726330.db2.gz ATFVEFSCQMAUCX-ZIAGYGMSSA-N 1 1 276.384 1.196 40 0 CDABMO c1nnc(N2CC[N@H+]3C[C@H](OCC4CC4)C[C@H]3C2)s1 ZINC000096249536 358726827 /nfs/dbraw/zinc/72/68/27/358726827.db2.gz CGFRXVFNPPNUNX-NWDGAFQWSA-N 1 1 280.397 1.228 40 0 CDABMO CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000096268685 358730898 /nfs/dbraw/zinc/73/08/98/358730898.db2.gz PUYPJOXZVGIAHE-LSDHHAIUSA-N 1 1 266.385 1.357 40 0 CDABMO CN1CC[NH+](CCc2ccc3cccc(O)c3n2)CC1 ZINC000059474698 359819166 /nfs/dbraw/zinc/81/91/66/359819166.db2.gz KSTJAFTZAFEWFL-UHFFFAOYSA-N 1 1 271.364 1.730 40 0 CDABMO C[C@H]1[C@@H](c2ccccc2)[N@@H+](C)CC[C@@]12NC(=O)NC2=O ZINC000001093922 291291418 /nfs/dbraw/zinc/29/14/18/291291418.db2.gz FQTIIVLASVNVSP-ITDIGPHOSA-N 1 1 273.336 1.278 40 0 CDABMO CS(=O)(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107900 366983970 /nfs/dbraw/zinc/98/39/70/366983970.db2.gz UHLAUJUTUFGHET-CABCVRRESA-N 1 1 297.420 1.619 40 0 CDABMO COCCNC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069376546 369574771 /nfs/dbraw/zinc/57/47/71/369574771.db2.gz VUWGDEJFBMFHOA-ZDUSSCGKSA-N 1 1 283.416 1.729 40 0 CDABMO OC1(C[N@H+]2CCC[C@H]2c2cnccn2)CCOCC1 ZINC000257228974 190015876 /nfs/dbraw/zinc/01/58/76/190015876.db2.gz FWBFTIPMFVBXEK-ZDUSSCGKSA-N 1 1 263.341 1.155 40 0 CDABMO Cn1ccc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000257284146 190026156 /nfs/dbraw/zinc/02/61/56/190026156.db2.gz PBJNRSAPVVQWPT-MRXNPFEDSA-N 1 1 270.380 1.909 40 0 CDABMO CN(C)C(=O)[C@]1(C)CCC[N@@H+](Cc2nccn2C)C1 ZINC000257293124 190028393 /nfs/dbraw/zinc/02/83/93/190028393.db2.gz QOFBDSUWSYHNTG-CQSZACIVSA-N 1 1 264.373 1.110 40 0 CDABMO Cc1ncc(-c2cncc([C@H]3CCC[N@@H+](C)C3)n2)n1C ZINC000257333736 190035590 /nfs/dbraw/zinc/03/55/90/190035590.db2.gz YCVXFMQDWLVGNP-LBPRGKRZSA-N 1 1 271.368 1.995 40 0 CDABMO Cc1nccc([C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000257337188 190036012 /nfs/dbraw/zinc/03/60/12/190036012.db2.gz YRUCTAOMWSOTON-GFCCVEGCSA-N 1 1 257.341 1.888 40 0 CDABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000257337188 190036013 /nfs/dbraw/zinc/03/60/13/190036013.db2.gz YRUCTAOMWSOTON-GFCCVEGCSA-N 1 1 257.341 1.888 40 0 CDABMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2C[C@@H](O)CC(F)(F)F)CN1 ZINC000330945261 376360721 /nfs/dbraw/zinc/36/07/21/376360721.db2.gz GVYVJCWIBVRNTI-GARJFASQSA-N 1 1 294.317 1.290 40 0 CDABMO COCC(=O)N1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257265465 284780174 /nfs/dbraw/zinc/78/01/74/284780174.db2.gz LYTTTYXPILTZCA-CYBMUJFWSA-N 1 1 292.383 1.157 40 0 CDABMO O=S1(=O)NC(C2CC[NH2+]CC2)=Nc2ccccc21 ZINC000003911221 285074703 /nfs/dbraw/zinc/07/47/03/285074703.db2.gz MXWDPKUTEQVIMA-UHFFFAOYSA-N 1 1 265.338 1.008 40 0 CDABMO NC(=O)C[N@@H+]1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000072367782 390628298 /nfs/dbraw/zinc/62/82/98/390628298.db2.gz WVEYPUDYSPJBFE-NSHDSACASA-N 1 1 266.316 1.402 40 0 CDABMO NC(=O)C[N@H+]1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000072367782 390628301 /nfs/dbraw/zinc/62/83/01/390628301.db2.gz WVEYPUDYSPJBFE-NSHDSACASA-N 1 1 266.316 1.402 40 0 CDABMO NC(=[NH2+])N1N=C(c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000005602674 170118620 /nfs/dbraw/zinc/11/86/20/170118620.db2.gz XKDRAIQKEMZLMS-MRXNPFEDSA-N 1 1 280.331 1.835 40 0 CDABMO C[C@]1(C(N)=O)C[N@@H+](Cc2cccc3ccccc32)CCO1 ZINC000072379454 176386785 /nfs/dbraw/zinc/38/67/85/176386785.db2.gz FACAUZJEWBWVCC-QGZVFWFLSA-N 1 1 284.359 1.916 40 0 CDABMO Cc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)o1 ZINC000072397629 176395234 /nfs/dbraw/zinc/39/52/34/176395234.db2.gz LCVHXNSVPJGZNT-RAIGVLPGSA-N 1 1 250.342 1.227 40 0 CDABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccoc2)N1c1cncnc1 ZINC000107251820 275019945 /nfs/dbraw/zinc/01/99/45/275019945.db2.gz GKUJDYHWUXQGSA-UONOGXRCSA-N 1 1 284.319 1.449 40 0 CDABMO CCOC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059850 276331334 /nfs/dbraw/zinc/33/13/34/276331334.db2.gz QGGFIDAZRLJOGX-HNNXBMFYSA-N 1 1 293.411 1.782 40 0 CDABMO COCC(=O)N1CCC[C@@]2(C[C@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000096075666 277195541 /nfs/dbraw/zinc/19/55/41/277195541.db2.gz HMKYSGSLGKCSAA-CZUORRHYSA-N 1 1 296.411 1.125 40 0 CDABMO C[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000075837444 280021636 /nfs/dbraw/zinc/02/16/36/280021636.db2.gz VMDZXINKFCTKOC-JJXSEGSLSA-N 1 1 282.428 1.333 40 0 CDABMO CNC(=O)[C@H]1C[N@H+](C(C)C)CCN1CCc1ccccc1 ZINC000248000174 334293335 /nfs/dbraw/zinc/29/33/35/334293335.db2.gz NRWONRPQMIBPKN-MRXNPFEDSA-N 1 1 289.423 1.370 40 0 CDABMO O=C(OCc1ccccc1)c1cn2c(n1)C[NH2+]CC2 ZINC000253189869 1159270900 /nfs/dbraw/zinc/27/09/00/1159270900.db2.gz ZUHIPFOHBHDVOG-UHFFFAOYSA-N 1 1 257.293 1.343 40 0 CDABMO CCCC[N@@H+](C)C[C@@H]1[C@H](CC)CN(C(C)=O)[C@@H]1CO ZINC001772594733 1159300960 /nfs/dbraw/zinc/30/09/60/1159300960.db2.gz PAYFXFSJNWQCCC-RBSFLKMASA-N 1 1 270.417 1.584 40 0 CDABMO CCN1CC(=O)NC[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096050495 185073974 /nfs/dbraw/zinc/07/39/74/185073974.db2.gz GPNUFMCRUJBHIQ-CQSZACIVSA-N 1 1 279.409 1.144 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1 ZINC000096055560 185076063 /nfs/dbraw/zinc/07/60/63/185076063.db2.gz WSVYVEROGHUVEE-UPJWGTAASA-N 1 1 280.393 1.568 40 0 CDABMO C[N@H+]1C[C@@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 ZINC000096065649 185084002 /nfs/dbraw/zinc/08/40/02/185084002.db2.gz PGJKENAKBWNLBO-IACUBPJLSA-N 1 1 294.420 1.516 40 0 CDABMO Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2cccnc2)C3)n1 ZINC000096110038 185099625 /nfs/dbraw/zinc/09/96/25/185099625.db2.gz ZAUKBEUNULGQRA-UKRRQHHQSA-N 1 1 286.335 1.173 40 0 CDABMO CNC(=O)C[C@@]1(CO)CCC[N@H+]1Cc1cc(C(C)C)no1 ZINC000585278394 342257017 /nfs/dbraw/zinc/25/70/17/342257017.db2.gz SLILKHQMVWIRSL-OAHLLOKOSA-N 1 1 295.383 1.261 40 0 CDABMO Cc1[nH+]ccn1CC1(O)CCC2(CC1)OCCO2 ZINC000013997908 282203181 /nfs/dbraw/zinc/20/31/81/282203181.db2.gz ZIYNAVCKMRMBHM-UHFFFAOYSA-N 1 1 252.314 1.240 40 0 CDABMO Cn1cnc2c1[C@H](C(=O)NCc1cccs1)C[N@@H+](C)C2 ZINC000253612981 362442191 /nfs/dbraw/zinc/44/21/91/362442191.db2.gz IHANDCBTRBCAOM-LLVKDONJSA-N 1 1 290.392 1.327 40 0 CDABMO CNC(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000108535046 186222153 /nfs/dbraw/zinc/22/21/53/186222153.db2.gz WWXJGNFSFMFEPB-HIFRSBDPSA-N 1 1 276.384 1.158 40 0 CDABMO CNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cncn1C)C2 ZINC000108535804 186222313 /nfs/dbraw/zinc/22/23/13/186222313.db2.gz RBLNWRQCEDSKPF-ZFWWWQNUSA-N 1 1 276.384 1.158 40 0 CDABMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)CN1CCC(C)CC1 ZINC000195530866 363456052 /nfs/dbraw/zinc/45/60/52/363456052.db2.gz VOJUROBBYILNPW-YESZJQIVSA-N 1 1 298.471 1.705 40 0 CDABMO COC[C@@H](O)C[N@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000004823231 356044298 /nfs/dbraw/zinc/04/42/98/356044298.db2.gz XWZVOCAEMFSLBH-HIFRSBDPSA-N 1 1 264.369 1.204 40 0 CDABMO COc1ccc(C[N@H+]2CCc3nc(C)[nH]c(=O)c3CC2)cc1 ZINC000019286436 356479893 /nfs/dbraw/zinc/47/98/93/356479893.db2.gz IQGVFYCICUWGLB-UHFFFAOYSA-N 1 1 299.374 1.688 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)Cn1cnc2ccccc21 ZINC000019657541 356494410 /nfs/dbraw/zinc/49/44/10/356494410.db2.gz UWNIHGOWLMJGSK-UHFFFAOYSA-N 1 1 283.335 1.358 40 0 CDABMO O=C1O[C@@H](c2ccc(F)cc2)C[C@@H]1C[NH+]1CCOCC1 ZINC000031795411 356770105 /nfs/dbraw/zinc/77/01/05/356770105.db2.gz NVVNTNPYGSSVPP-TZMCWYRMSA-N 1 1 279.311 1.762 40 0 CDABMO CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1 ZINC000096186954 358715193 /nfs/dbraw/zinc/71/51/93/358715193.db2.gz TXGBUXVFABUKEA-UPJWGTAASA-N 1 1 280.393 1.616 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2cnn(C)c2)[C@H]1Cc1cccnc1 ZINC000096200476 358718008 /nfs/dbraw/zinc/71/80/08/358718008.db2.gz LTANSOPCPJFPBJ-HOTGVXAUSA-N 1 1 286.379 1.647 40 0 CDABMO c1cnc(N2CC3(C2)CC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096202554 358718851 /nfs/dbraw/zinc/71/88/51/358718851.db2.gz SQLRQRBETVBFKX-UHFFFAOYSA-N 1 1 281.363 1.584 40 0 CDABMO C[N@H+]1CCC2(C1)CCN(C(=O)c1ccccn1)CC2 ZINC000096268534 358730743 /nfs/dbraw/zinc/73/07/43/358730743.db2.gz UXVBNWBFDPOUSE-UHFFFAOYSA-N 1 1 259.353 1.640 40 0 CDABMO CC(=O)N1CCO[C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC000108526924 359047355 /nfs/dbraw/zinc/04/73/55/359047355.db2.gz KCPIWTIIQULIOR-PMPSAXMXSA-N 1 1 278.396 1.664 40 0 CDABMO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000514288852 360123513 /nfs/dbraw/zinc/12/35/13/360123513.db2.gz CLGRZLMQQFBITN-HIFRSBDPSA-N 1 1 272.348 1.614 40 0 biogenic,in-vitro CDABMO COC[C@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218466304 372829060 /nfs/dbraw/zinc/82/90/60/372829060.db2.gz VQQPKIRSACCTKV-WOPDTQHZSA-N 1 1 289.784 1.194 40 0 CDABMO c1ccc(CN2C[C@H]3C[NH2+]C4(CCOCC4)[C@H]3C2)cc1 ZINC000257202046 190010895 /nfs/dbraw/zinc/01/08/95/190010895.db2.gz AKGCSQFTEHYNIJ-CVEARBPZSA-N 1 1 272.392 1.887 40 0 CDABMO O=C(C[N@H+]1CCC[C@H](Cc2cc[nH]n2)C1)N1CCCC1 ZINC000257282561 190026099 /nfs/dbraw/zinc/02/60/99/190026099.db2.gz OUGQBGFHPUMKDS-CYBMUJFWSA-N 1 1 276.384 1.287 40 0 CDABMO C[N@H+]1CCCN(C(=O)c2cccc(-c3cncnc3)n2)CC1 ZINC000257336664 190036161 /nfs/dbraw/zinc/03/61/61/190036161.db2.gz YPLAJMLMYXHIIH-UHFFFAOYSA-N 1 1 297.362 1.316 40 0 CDABMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@H]1CCC(F)(F)C1 ZINC000331307050 376911354 /nfs/dbraw/zinc/91/13/54/376911354.db2.gz GGYBGZJRKJKPAE-NWDGAFQWSA-N 1 1 290.354 1.385 40 0 CDABMO OC[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2C[C@@H](O)C1 ZINC000005664246 285281761 /nfs/dbraw/zinc/28/17/61/285281761.db2.gz PWWVJGCOINBXJP-MKBNYLNASA-N 1 1 286.375 1.830 40 0 CDABMO OC[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N@H+]2C[C@@H](O)C1 ZINC000005664246 285281763 /nfs/dbraw/zinc/28/17/63/285281763.db2.gz PWWVJGCOINBXJP-MKBNYLNASA-N 1 1 286.375 1.830 40 0 CDABMO CC(C)c1nc2c(c(=O)[nH]1)CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000019453739 390228125 /nfs/dbraw/zinc/22/81/25/390228125.db2.gz WNWMXYAQXOHEMV-GFCCVEGCSA-N 1 1 291.395 1.330 40 0 CDABMO CC(C)NC(=O)[C@H]1C[C@@H]2CC[N@H+](C3CCCC3)C[C@@H]2O1 ZINC000096043144 390912091 /nfs/dbraw/zinc/91/20/91/390912091.db2.gz HZUXKIAWRONXBQ-CFVMTHIKSA-N 1 1 280.412 1.933 40 0 CDABMO CCOC[C@]1([NH3+])[C@@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O ZINC000252515723 392797242 /nfs/dbraw/zinc/79/72/42/392797242.db2.gz MZRPQOXAXMZYCU-XQQFMLRXSA-N 1 1 287.356 1.070 40 0 CDABMO CC[N@@H+]1CCC[C@@H]1CNCc1cnc(NC(C)C)nc1 ZINC000062718453 392804365 /nfs/dbraw/zinc/80/43/65/392804365.db2.gz INQRFDUMKGAKBQ-CQSZACIVSA-N 1 1 277.416 1.871 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNCc1cnc(NC(C)C)nc1 ZINC000062718453 392804367 /nfs/dbraw/zinc/80/43/67/392804367.db2.gz INQRFDUMKGAKBQ-CQSZACIVSA-N 1 1 277.416 1.871 40 0 CDABMO COc1ccc2c(c1)C[N@H+](C)CC[C@H]1COC(=O)N21 ZINC000225490611 393067947 /nfs/dbraw/zinc/06/79/47/393067947.db2.gz LPVJDFRCSNUYPU-NSHDSACASA-N 1 1 262.309 1.856 40 0 biogenic,in-vitro CDABMO Cc1ncsc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000682556428 483285798 /nfs/dbraw/zinc/28/57/98/483285798.db2.gz JBNZVESHSFILGY-HOSYDEDBSA-N 1 1 265.382 1.537 40 0 CDABMO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096071638 398069560 /nfs/dbraw/zinc/06/95/60/398069560.db2.gz PLPXQEPXLASPOJ-CQSZACIVSA-N 1 1 295.456 1.392 40 0 CDABMO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096071638 398069561 /nfs/dbraw/zinc/06/95/61/398069561.db2.gz PLPXQEPXLASPOJ-CQSZACIVSA-N 1 1 295.456 1.392 40 0 CDABMO COc1ccc(NC(=O)C[NH+]2CCCCC2)c(N)c1 ZINC000008703625 170347769 /nfs/dbraw/zinc/34/77/69/170347769.db2.gz UNZCKOVHZSCLAQ-UHFFFAOYSA-N 1 1 263.341 1.702 40 0 CDABMO C[C@H]1Cc2ccccc2N1C(=O)CNCC[NH+](C)C ZINC000019498268 170814737 /nfs/dbraw/zinc/81/47/37/170814737.db2.gz ZTWZQALVMCFPGM-LBPRGKRZSA-N 1 1 261.369 1.115 40 0 CDABMO Cc1cc(Cl)nc(NC(=[NH2+])N2CCOCC2)n1 ZINC000020353370 171156916 /nfs/dbraw/zinc/15/69/16/171156916.db2.gz CDNCCFLZEXKKSK-UHFFFAOYSA-N 1 1 255.709 1.117 40 0 CDABMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](CCS(C)(=O)=O)C2)cc1 ZINC000076393070 177014201 /nfs/dbraw/zinc/01/42/01/177014201.db2.gz WPLZMBYXNBJWHB-GXTWGEPZSA-N 1 1 297.420 1.918 40 0 CDABMO COC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000076616607 177043127 /nfs/dbraw/zinc/04/31/27/177043127.db2.gz KRGBNDOIIYIVLA-CYBMUJFWSA-N 1 1 294.370 1.927 40 0 CDABMO C[NH+]1CCN([C@@H]2c3ccccc3OC(C)(C)[C@@H]2O)CC1 ZINC000019366516 277111430 /nfs/dbraw/zinc/11/14/30/277111430.db2.gz BKTHJGILZXJQLV-HUUCEWRRSA-N 1 1 276.380 1.507 40 0 CDABMO CC(C)[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C)CC1 ZINC000019445955 280358722 /nfs/dbraw/zinc/35/87/22/280358722.db2.gz ITBZSFSAHKFRKL-CQSZACIVSA-N 1 1 292.431 1.733 40 0 CDABMO CCOc1cc([C@@H]([NH3+])c2nc(C)n(C)n2)ccc1OC ZINC000095534495 185006058 /nfs/dbraw/zinc/00/60/58/185006058.db2.gz PLZHDESSFUVVAE-CYBMUJFWSA-N 1 1 276.340 1.579 40 0 CDABMO CCOc1ccc([C@H]([NH3+])c2nc(N)n[nH]2)cc1OCC ZINC000095534624 185006627 /nfs/dbraw/zinc/00/66/27/185006627.db2.gz GVGQGAMUZVVTAX-NSHDSACASA-N 1 1 277.328 1.232 40 0 CDABMO [NH3+][C@H](c1nc(Cn2cncn2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533972 185006733 /nfs/dbraw/zinc/00/67/33/185006733.db2.gz KVONAQANIZRGSB-NSHDSACASA-N 1 1 289.730 1.146 40 0 CDABMO [NH3+][C@@H](c1nc(Cn2cccn2)n[nH]1)c1ccc(F)cc1 ZINC000095533290 185007488 /nfs/dbraw/zinc/00/74/88/185007488.db2.gz CIAVOBGDQOAOJY-GFCCVEGCSA-N 1 1 272.287 1.237 40 0 CDABMO O=C1CC[C@]2(CCC[N@@H+](Cc3cccnc3)CC2)N1 ZINC000096047459 185072585 /nfs/dbraw/zinc/07/25/85/185072585.db2.gz UQWFFBMPUQGSAT-HNNXBMFYSA-N 1 1 259.353 1.716 40 0 CDABMO CCOC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2cn(C)nc21 ZINC000096059832 185080993 /nfs/dbraw/zinc/08/09/93/185080993.db2.gz SYHHGQCUQDHOOC-AWEZNQCLSA-N 1 1 289.383 1.290 40 0 CDABMO CCOC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2cn(C)nc21 ZINC000096059832 185080995 /nfs/dbraw/zinc/08/09/95/185080995.db2.gz SYHHGQCUQDHOOC-AWEZNQCLSA-N 1 1 289.383 1.290 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2ccoc2)[C@H]1Cc1ccncc1 ZINC000096061646 185083117 /nfs/dbraw/zinc/08/31/17/185083117.db2.gz YTZIYSPMEMXINB-GJZGRUSLSA-N 1 1 258.321 1.853 40 0 CDABMO C[N@H+]1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000096107409 185100319 /nfs/dbraw/zinc/10/03/19/185100319.db2.gz FNZNYYRHADTYCN-RISCZKNCSA-N 1 1 266.316 1.853 40 0 CDABMO CN(C)C(=O)COCC[C@H]1Cn2cccc2C[N@@H+](C)C1 ZINC000585095311 342211424 /nfs/dbraw/zinc/21/14/24/342211424.db2.gz OVDCUEFRTLAGMW-CYBMUJFWSA-N 1 1 279.384 1.045 40 0 CDABMO CO[C@@]1(COc2ccccc2C)CC[N@@H+](CCC(N)=O)C1 ZINC000585273358 342255861 /nfs/dbraw/zinc/25/58/61/342255861.db2.gz CTNPMVVWKKCEPG-INIZCTEOSA-N 1 1 292.379 1.340 40 0 CDABMO Cc1cccc(N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000157590208 136396183 /nfs/dbraw/zinc/39/61/83/136396183.db2.gz XWJGPKSQYFOEPV-UHFFFAOYSA-N 1 1 263.385 1.673 40 0 CDABMO C[C@@H]1Cc2c([nH+]cn2Cc2nc(N(C)C)no2)C[C@@H]1C ZINC000295042004 199316345 /nfs/dbraw/zinc/31/63/45/199316345.db2.gz AKVJCQCYIWARDJ-VHSXEESVSA-N 1 1 275.356 1.751 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)[C@H](C)Oc1ccccc1 ZINC000052192726 362480531 /nfs/dbraw/zinc/48/05/31/362480531.db2.gz LSBCUGCHTGIUEM-LBPRGKRZSA-N 1 1 273.336 1.775 40 0 CDABMO C[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000091212124 180112423 /nfs/dbraw/zinc/11/24/23/180112423.db2.gz QNMXOMKUYYRTMR-OAHLLOKOSA-N 1 1 298.390 1.830 40 0 CDABMO COC(=O)[C@H]1C[C@]2(c3ccccc3NC2=O)[N@H+]2CCC[C@H]12 ZINC000062716017 350409662 /nfs/dbraw/zinc/40/96/62/350409662.db2.gz GILNPVJKDQWNGY-OWRWGESLSA-N 1 1 286.331 1.491 40 0 CDABMO OC1(C[N@H+]2CCC[C@@H](c3nccs3)C2)CCOCC1 ZINC000153004697 363349017 /nfs/dbraw/zinc/34/90/17/363349017.db2.gz NKORTZPAMIUOFE-GFCCVEGCSA-N 1 1 282.409 1.864 40 0 CDABMO COC(=O)[C@H]1C(=O)C[C@H]2[N@H+](C)[C@@H]1C(C)(C)C2(C)C ZINC000001733213 355950300 /nfs/dbraw/zinc/95/03/00/355950300.db2.gz ZBUSBQXKKWHUNU-VWYCJHECSA-N 1 1 253.342 1.483 40 0 CDABMO CC(C)c1noc(N2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000328799852 202063355 /nfs/dbraw/zinc/06/33/55/202063355.db2.gz XYUVBLWIOIXWTI-SNVBAGLBSA-N 1 1 261.329 1.920 40 0 CDABMO Cc1ccc(C(=O)N2CC3(C2)C[C@@H](CO)C[N@@H+]3C)cc1F ZINC000585093816 358098985 /nfs/dbraw/zinc/09/89/85/358098985.db2.gz HLRCQEFDDONVJI-GFCCVEGCSA-N 1 1 292.354 1.273 40 0 CDABMO O=C(C1CC1)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161625 358711028 /nfs/dbraw/zinc/71/10/28/358711028.db2.gz RQGGOTMCQMYIFM-OKILXGFUSA-N 1 1 271.364 1.382 40 0 CDABMO NC(=O)N1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096161563 358711036 /nfs/dbraw/zinc/71/10/36/358711036.db2.gz AMASBGDZHBHTLY-AOOOYVTPSA-N 1 1 251.355 1.190 40 0 CDABMO O=C(C[C@H]1C[C@H]2C[N@@H+](CC3CC3)C[C@H]2O1)N1CCCCO1 ZINC000096216651 358721236 /nfs/dbraw/zinc/72/12/36/358721236.db2.gz BOSHHIUXRVCKHJ-RRFJBIMHSA-N 1 1 294.395 1.430 40 0 CDABMO O=C(c1ccc(F)cc1F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932286 359509182 /nfs/dbraw/zinc/50/91/82/359509182.db2.gz KSIOZKMXVGXATP-LLVKDONJSA-N 1 1 266.291 1.885 40 0 CDABMO Cc1cccc2cc(C(=O)N3CC[NH+](C)CC3)c(=O)oc12 ZINC000226035327 359642474 /nfs/dbraw/zinc/64/24/74/359642474.db2.gz PCXNAFQUZGYVOD-UHFFFAOYSA-N 1 1 286.331 1.489 40 0 CDABMO CCc1nc(C)c(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)[nH]1 ZINC000257231357 190016024 /nfs/dbraw/zinc/01/60/24/190016024.db2.gz GGIICDWORIPSOQ-ZFWWWQNUSA-N 1 1 279.384 1.396 40 0 CDABMO O[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@@]12CCCO2 ZINC000257246282 190019506 /nfs/dbraw/zinc/01/95/06/190019506.db2.gz ITLBJIREHHECIL-GJZGRUSLSA-N 1 1 265.328 1.942 40 0 CDABMO CNc1ncccc1C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257257913 190021629 /nfs/dbraw/zinc/02/16/29/190021629.db2.gz KRPIQQAZTMTYIN-ZFWWWQNUSA-N 1 1 277.368 1.239 40 0 CDABMO CCN(CC)C(=O)c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257263382 190022582 /nfs/dbraw/zinc/02/25/82/190022582.db2.gz LPQJUEHCYBWDTB-GFCCVEGCSA-N 1 1 276.384 1.768 40 0 CDABMO Cn1cncc1CN1CCC[C@@]2(C)[C@H]1CCC[N@H+]2C ZINC000257261217 190022636 /nfs/dbraw/zinc/02/26/36/190022636.db2.gz LGFLNTNVEXMOBQ-CABCVRRESA-N 1 1 262.401 1.869 40 0 CDABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cnccn3)C2)n1 ZINC000257306773 190030895 /nfs/dbraw/zinc/03/08/95/190030895.db2.gz SVVAPQDAFXTBEQ-GFCCVEGCSA-N 1 1 257.341 1.508 40 0 CDABMO Cc1ncc(C[N@H+]2CCC[C@H](Cc3nccnc3N)C2)cn1 ZINC000257308963 190030978 /nfs/dbraw/zinc/03/09/78/190030978.db2.gz TYYCFUYEFUUQBH-CYBMUJFWSA-N 1 1 298.394 1.612 40 0 CDABMO CNc1cc([C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)ccn1 ZINC000257305631 190031240 /nfs/dbraw/zinc/03/12/40/190031240.db2.gz SQVLUYNQUQHMKC-ZDUSSCGKSA-N 1 1 276.384 1.391 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@H]3[C@H]2CCCC(=O)N3C)cn1 ZINC000257334304 190035951 /nfs/dbraw/zinc/03/59/51/190035951.db2.gz YFJCLRGCKBOGDF-ZIAGYGMSSA-N 1 1 276.384 1.395 40 0 CDABMO CCN(C[C@@H]1CCC[N@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407970 285023337 /nfs/dbraw/zinc/02/33/37/285023337.db2.gz ZTQBDYBNQBZWRD-LBPRGKRZSA-N 1 1 272.389 1.700 40 0 CDABMO c1csc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)n1 ZINC000096110659 390947602 /nfs/dbraw/zinc/94/76/02/390947602.db2.gz LXWQKQJTXNFQOM-RYUDHWBXSA-N 1 1 287.392 1.501 40 0 CDABMO Cn1cc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)cn1 ZINC000020349847 171155437 /nfs/dbraw/zinc/15/54/37/171155437.db2.gz VOFLVUVSCODJFG-UHFFFAOYSA-N 1 1 273.262 1.462 40 0 CDABMO Cc1ccc2nc(C3CC[NH+](CC(N)=O)CC3)[nH]c2c1 ZINC000072351160 176374184 /nfs/dbraw/zinc/37/41/84/176374184.db2.gz SHXFIOPMQBBCBR-UHFFFAOYSA-N 1 1 272.352 1.536 40 0 CDABMO Cc1cccc(OC[C@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000072367784 176382806 /nfs/dbraw/zinc/38/28/06/176382806.db2.gz HXMIWBPHZSSUQU-ZDUSSCGKSA-N 1 1 262.353 1.571 40 0 CDABMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000072368288 176383401 /nfs/dbraw/zinc/38/34/01/176383401.db2.gz OEKSGFQBMSQAJR-CYBMUJFWSA-N 1 1 285.351 1.534 40 0 CDABMO COC(=O)[C@@H]1C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072398071 176396144 /nfs/dbraw/zinc/39/61/44/176396144.db2.gz XNWMGKAGYXRTAI-IPYPFGDCSA-N 1 1 273.332 1.782 40 0 CDABMO CN1CC[NH2+][C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000072352830 277117134 /nfs/dbraw/zinc/11/71/34/277117134.db2.gz DHPMCCJRYLVTNA-INIZCTEOSA-N 1 1 281.359 1.721 40 0 CDABMO C[N@@H+](Cc1[nH]nc2c1COCC2)[C@@H]1CCSC1 ZINC000930093854 933314507 /nfs/dbraw/zinc/31/45/07/933314507.db2.gz NRERYHDNKMLWGS-SECBINFHSA-N 1 1 253.371 1.420 40 0 CDABMO C[C@@H]1C(=O)NC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21 ZINC000096043660 185070966 /nfs/dbraw/zinc/07/09/66/185070966.db2.gz WNHFYIOAGIESKG-QEJZJMRPSA-N 1 1 258.365 1.543 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2ccoc2)[C@H]1Cc1cccnc1 ZINC000096061633 185083168 /nfs/dbraw/zinc/08/31/68/185083168.db2.gz MTHAFHRGVFJDJV-GJZGRUSLSA-N 1 1 258.321 1.853 40 0 CDABMO O=C(c1cccnc1)N1C[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2C1 ZINC000096081412 185091225 /nfs/dbraw/zinc/09/12/25/185091225.db2.gz XUPOZJZQNCATAM-JKSUJKDBSA-N 1 1 285.391 1.886 40 0 CDABMO CN(C)CC[N@@H+]1C[C@H]2CC[C@@H]1[C@@H]2Oc1ccccn1 ZINC000096083678 185092844 /nfs/dbraw/zinc/09/28/44/185092844.db2.gz VSUFAVBEIQLNHS-UMVBOHGHSA-N 1 1 261.369 1.485 40 0 CDABMO CN(C)CC[N@H+]1C[C@H]2CC[C@@H]1[C@@H]2Oc1ccccn1 ZINC000096083678 185092845 /nfs/dbraw/zinc/09/28/45/185092845.db2.gz VSUFAVBEIQLNHS-UMVBOHGHSA-N 1 1 261.369 1.485 40 0 CDABMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cscn2)C[C@H](C)O1 ZINC000083026445 178335217 /nfs/dbraw/zinc/33/52/17/178335217.db2.gz FBPYQLNMCGTBDD-TXEJJXNPSA-N 1 1 297.424 1.762 40 0 CDABMO C[NH+](C)C[C@H]1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2O1 ZINC000096100357 185097647 /nfs/dbraw/zinc/09/76/47/185097647.db2.gz GLWYFOPQKPUYKJ-KFWWJZLASA-N 1 1 261.369 1.233 40 0 CDABMO CO[C@@]1(COc2ccccc2C)CCC[N@H+](CC(N)=O)C1 ZINC000585275097 342255935 /nfs/dbraw/zinc/25/59/35/342255935.db2.gz WJEOSGKJNFGWSV-INIZCTEOSA-N 1 1 292.379 1.340 40 0 CDABMO CO[C@@]1(COc2ccccc2C)CCC[N@@H+](CC(N)=O)C1 ZINC000585275097 342255936 /nfs/dbraw/zinc/25/59/36/342255936.db2.gz WJEOSGKJNFGWSV-INIZCTEOSA-N 1 1 292.379 1.340 40 0 CDABMO Cc1ccc(OC[C@@]2(O)CC[N@H+](Cc3c[nH]cn3)C2)cc1 ZINC000585274393 342256007 /nfs/dbraw/zinc/25/60/07/342256007.db2.gz KLGOGXDPHBDGHS-MRXNPFEDSA-N 1 1 287.363 1.734 40 0 CDABMO Cc1ccc(OC[C@@]2(O)CC[N@@H+](Cc3c[nH]cn3)C2)cc1 ZINC000585274393 342256008 /nfs/dbraw/zinc/25/60/08/342256008.db2.gz KLGOGXDPHBDGHS-MRXNPFEDSA-N 1 1 287.363 1.734 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1CC(=O)N(C)C ZINC000585277334 342256409 /nfs/dbraw/zinc/25/64/09/342256409.db2.gz URELVJFGIZZLQN-CABCVRRESA-N 1 1 291.395 1.315 40 0 CDABMO c1ccc(NC[C@@H]2CO[C@@H]3C[N@H+](C4CCC4)C[C@H]23)nc1 ZINC000248065351 362148944 /nfs/dbraw/zinc/14/89/44/362148944.db2.gz RBRHKOJCNHNFOT-BPLDGKMQSA-N 1 1 273.380 1.993 40 0 CDABMO CS(=O)(=O)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000257317769 362585761 /nfs/dbraw/zinc/58/57/61/362585761.db2.gz VLBCULIJDCEVCD-ZIAGYGMSSA-N 1 1 286.441 1.675 40 0 CDABMO CNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cn(C)nc1C)C2 ZINC000108532692 186222115 /nfs/dbraw/zinc/22/21/15/186222115.db2.gz SACSIEUMWGEEAJ-HOCLYGCPSA-N 1 1 290.411 1.467 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(C(=O)C3CCCCC3)C[C@@H]2C1 ZINC000096107942 283001018 /nfs/dbraw/zinc/00/10/18/283001018.db2.gz PQGWVJHOTGMTNL-UONOGXRCSA-N 1 1 266.385 1.356 40 0 CDABMO C[N@@H+]1CCO[C@H](C(=O)N2CCC3(CCCC3)CC2)C1 ZINC000081432269 283017140 /nfs/dbraw/zinc/01/71/40/283017140.db2.gz JYQGBEDFWKYKPO-ZDUSSCGKSA-N 1 1 266.385 1.500 40 0 CDABMO C[N@H+]1CCO[C@H](C(=O)N2CCC3(CCCC3)CC2)C1 ZINC000081432269 283017142 /nfs/dbraw/zinc/01/71/42/283017142.db2.gz JYQGBEDFWKYKPO-ZDUSSCGKSA-N 1 1 266.385 1.500 40 0 CDABMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391644 356988694 /nfs/dbraw/zinc/98/86/94/356988694.db2.gz JESLVIJOYXCDQE-HNNXBMFYSA-N 1 1 292.379 1.569 40 0 CDABMO C[N@H+]1C[C@@H](CO)CC12CN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000585093820 358098933 /nfs/dbraw/zinc/09/89/33/358098933.db2.gz HRENZTBOUQYCEJ-JTQLQIEISA-N 1 1 296.317 1.103 40 0 CDABMO COc1cccc(C[NH2+][C@H](C)CS(C)(=O)=O)c1F ZINC000165861830 358182830 /nfs/dbraw/zinc/18/28/30/358182830.db2.gz RFGFDQKGRDWPBB-SECBINFHSA-N 1 1 275.345 1.357 40 0 CDABMO C[N@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1cccnc1)O2 ZINC000096208317 358720118 /nfs/dbraw/zinc/72/01/18/358720118.db2.gz IBQGNWDJSAHRLT-GOEBONIOSA-N 1 1 289.379 1.455 40 0 CDABMO O=C(C[C@@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@H]21)NCC1CC1 ZINC000096206170 358720444 /nfs/dbraw/zinc/72/04/44/358720444.db2.gz ULMVOWMDUHZVEJ-BMFZPTHFSA-N 1 1 292.423 1.792 40 0 CDABMO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@@H+](CC3CC3)C[C@H]1O2 ZINC000096252963 358727625 /nfs/dbraw/zinc/72/76/25/358727625.db2.gz GVFMBPLRERCPQC-HZSPNIEDSA-N 1 1 266.385 1.258 40 0 CDABMO CCOc1ncnc2c1CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096255598 358728648 /nfs/dbraw/zinc/72/86/48/358728648.db2.gz QCDVLLQFJHBEEZ-UHFFFAOYSA-N 1 1 287.367 1.210 40 0 CDABMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000225532505 361075031 /nfs/dbraw/zinc/07/50/31/361075031.db2.gz GKNREJQFUSJDDI-CHWSQXEVSA-N 1 1 286.416 1.765 40 0 CDABMO COCC[N@H+]1CC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC000528470184 367851963 /nfs/dbraw/zinc/85/19/63/367851963.db2.gz DCRBVWFFROLXOX-LLVKDONJSA-N 1 1 281.356 1.249 40 0 CDABMO CC(C)[N@H+]1CC[C@H](c2nnc(-c3cncn3C)o2)C1 ZINC000049170496 373982123 /nfs/dbraw/zinc/98/21/23/373982123.db2.gz KHPPSUJXZQEZQW-JTQLQIEISA-N 1 1 261.329 1.668 40 0 biogenic,in-vitro CDABMO COC[C@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000079091165 374767746 /nfs/dbraw/zinc/76/77/46/374767746.db2.gz BNLVDURUHZTMIY-VIFPVBQESA-N 1 1 268.279 1.023 40 0 CDABMO COC[C@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000079091165 374767751 /nfs/dbraw/zinc/76/77/51/374767751.db2.gz BNLVDURUHZTMIY-VIFPVBQESA-N 1 1 268.279 1.023 40 0 CDABMO COc1ncccc1C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000225617566 375171971 /nfs/dbraw/zinc/17/19/71/375171971.db2.gz NOCAKIYTRXPEDZ-WCQYABFASA-N 1 1 250.342 1.947 40 0 CDABMO CCn1cc(C[NH2+]Cc2c(C)nn(C)c2F)cn1 ZINC000256051542 190003555 /nfs/dbraw/zinc/00/35/55/190003555.db2.gz JNVGYFBNQWMVAE-UHFFFAOYSA-N 1 1 251.309 1.374 40 0 CDABMO Cc1nn(C)cc1C[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256054031 190004646 /nfs/dbraw/zinc/00/46/46/190004646.db2.gz URXRXGMEDMCEHP-UHFFFAOYSA-N 1 1 287.289 1.771 40 0 CDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000217670551 375700360 /nfs/dbraw/zinc/70/03/60/375700360.db2.gz UEVQFQHLXDQCMU-MNOVXSKESA-N 1 1 263.293 1.234 40 0 CDABMO Cc1nccc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)n1 ZINC000257277162 190025339 /nfs/dbraw/zinc/02/53/39/190025339.db2.gz NWSLKYNFVKAIJL-AWEZNQCLSA-N 1 1 263.341 1.337 40 0 CDABMO Cc1nccc([C@@H]2C[N@H+](C3CCOCC3)CCO2)n1 ZINC000257277162 190025340 /nfs/dbraw/zinc/02/53/40/190025340.db2.gz NWSLKYNFVKAIJL-AWEZNQCLSA-N 1 1 263.341 1.337 40 0 CDABMO COCC[N@H+]1CCC[C@H]1c1nccnc1-c1cc[nH]n1 ZINC000257305775 190030805 /nfs/dbraw/zinc/03/08/05/190030805.db2.gz SRLZAKDICDGENJ-LBPRGKRZSA-N 1 1 273.340 1.650 40 0 CDABMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000173277688 378094140 /nfs/dbraw/zinc/09/41/40/378094140.db2.gz YXFGWJBACZGQKY-CQSZACIVSA-N 1 1 281.444 1.661 40 0 CDABMO CN(C)C(=O)C[C@H]1OC[C@H]2C[N@@H+](CC3CC3)CC[C@@H]12 ZINC000096207376 256824195 /nfs/dbraw/zinc/82/41/95/256824195.db2.gz OHVJPGHYUUGLOV-MGPQQGTHSA-N 1 1 266.385 1.212 40 0 CDABMO C1=C[C@@H]2CC[C@H]1[C@H]1C[N@@H+](CCCN3CCOCC3)C[C@@H]12 ZINC000004917415 390156994 /nfs/dbraw/zinc/15/69/94/390156994.db2.gz XGPHOQQYQNGMRZ-YYIAUSFCSA-N 1 1 276.424 1.853 40 0 CDABMO COC[C@@H]1CN(C(C)=O)CC[N@@H+](Cc2cccnc2)C1 ZINC000072343689 390627333 /nfs/dbraw/zinc/62/73/33/390627333.db2.gz NWDDOVJCBCFEEW-HNNXBMFYSA-N 1 1 277.368 1.008 40 0 CDABMO CC(C)[N@@H+](Cc1cn(C(C)(C)C)nn1)C[C@H](C)O ZINC000331161819 391487060 /nfs/dbraw/zinc/48/70/60/391487060.db2.gz KVXRIVWJLDUACP-NSHDSACASA-N 1 1 254.378 1.624 40 0 CDABMO CC(C)[N@H+](Cc1cn(C(C)(C)C)nn1)C[C@H](C)O ZINC000331161819 391487062 /nfs/dbraw/zinc/48/70/62/391487062.db2.gz KVXRIVWJLDUACP-NSHDSACASA-N 1 1 254.378 1.624 40 0 CDABMO O=S1(=O)C[C@H](N2CCCCC2)[C@@H]1C[NH+]1CCCCC1 ZINC000001721954 296493397 /nfs/dbraw/zinc/49/33/97/296493397.db2.gz UMXQSISCAZISLA-KBPBESRZSA-N 1 1 286.441 1.124 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]c1=O ZINC000040039602 174184152 /nfs/dbraw/zinc/18/41/52/174184152.db2.gz ROOQIVWHRMULLO-CYBMUJFWSA-N 1 1 299.374 1.742 40 0 CDABMO CNC(=O)c1cc([C@H]2CCC[N@H+](C(C)C)C2)n[nH]1 ZINC000072380442 176387198 /nfs/dbraw/zinc/38/71/98/176387198.db2.gz HAQUIAJYKYRZRQ-JTQLQIEISA-N 1 1 250.346 1.357 40 0 CDABMO C[N@@H+](CCO)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391651 177475518 /nfs/dbraw/zinc/47/55/18/177475518.db2.gz SKUMVDDGCQFKLN-UHFFFAOYSA-N 1 1 292.379 1.712 40 0 CDABMO c1coc(C[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ZINC000062717765 262302621 /nfs/dbraw/zinc/30/26/21/262302621.db2.gz HCKLWGAFZOYTHJ-UHFFFAOYSA-N 1 1 274.324 1.196 40 0 CDABMO COc1ncccc1C[N@H+]1CCC[C@]2(CCC(=O)N2C)C1 ZINC000096071167 278094714 /nfs/dbraw/zinc/09/47/14/278094714.db2.gz XDVMPORUBNVOPR-INIZCTEOSA-N 1 1 289.379 1.677 40 0 CDABMO COc1ccc(N2C(=O)C[NH2+]CC23CCCC3)cc1 ZINC000085344191 295155383 /nfs/dbraw/zinc/15/53/83/295155383.db2.gz JYAHGPRYBCHRIX-UHFFFAOYSA-N 1 1 260.337 1.944 40 0 CDABMO CCOC[C@H]1C[N@H+](Cc2cccnc2)Cc2cnn(C)c21 ZINC000096060071 185081226 /nfs/dbraw/zinc/08/12/26/185081226.db2.gz YAQYMWPSKXWISX-OAHLLOKOSA-N 1 1 286.379 1.951 40 0 CDABMO CCOC[C@H]1C[N@@H+](Cc2cccnc2)Cc2cnn(C)c21 ZINC000096060071 185081228 /nfs/dbraw/zinc/08/12/28/185081228.db2.gz YAQYMWPSKXWISX-OAHLLOKOSA-N 1 1 286.379 1.951 40 0 CDABMO c1cnn(Cc2cnc3n2CC[N@H+](CC2CC2)C3)c1 ZINC000096061821 185082975 /nfs/dbraw/zinc/08/29/75/185082975.db2.gz RELIYLGUBXXUMS-UHFFFAOYSA-N 1 1 257.341 1.354 40 0 CDABMO C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC000096066337 185084585 /nfs/dbraw/zinc/08/45/85/185084585.db2.gz WHBGVCYCDFYRCR-HZSPNIEDSA-N 1 1 278.352 1.253 40 0 CDABMO Cc1cc(C(=O)N2CCC3(CC[N@H+]3CC3CC3)CC2)[nH]n1 ZINC000096077984 185088957 /nfs/dbraw/zinc/08/89/57/185088957.db2.gz PZTHZZALAVISSW-UHFFFAOYSA-N 1 1 288.395 1.809 40 0 CDABMO Cc1cc(C(=O)N2CCC3(CC[N@@H+]3CC3CC3)CC2)n[nH]1 ZINC000096077984 185088959 /nfs/dbraw/zinc/08/89/59/185088959.db2.gz PZTHZZALAVISSW-UHFFFAOYSA-N 1 1 288.395 1.809 40 0 CDABMO Cc1cc(C(=O)N2CCC3(CC[N@H+]3CC3CC3)CC2)n[nH]1 ZINC000096077984 185088961 /nfs/dbraw/zinc/08/89/61/185088961.db2.gz PZTHZZALAVISSW-UHFFFAOYSA-N 1 1 288.395 1.809 40 0 CDABMO COCC[N@H+]1CC[C@@]2(CCN2Cc2csc(C)n2)C1 ZINC000096076023 185090036 /nfs/dbraw/zinc/09/00/36/185090036.db2.gz CAFIRKANMXYOFA-CQSZACIVSA-N 1 1 281.425 1.748 40 0 CDABMO Cc1ccc(CN2C[C@H]3C[C@H](C[NH+](C)C)O[C@H]3C2)o1 ZINC000096083153 185092953 /nfs/dbraw/zinc/09/29/53/185092953.db2.gz CMUZLFGRRJDEFE-YUELXQCFSA-N 1 1 264.369 1.739 40 0 CDABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)N(C)C)[C@H]2C ZINC000096087586 185093967 /nfs/dbraw/zinc/09/39/67/185093967.db2.gz GLQQSWBMDPCPHT-LBPRGKRZSA-N 1 1 293.415 1.782 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1ccoc1)CC[C@H]2OC ZINC000096108515 185099644 /nfs/dbraw/zinc/09/96/44/185099644.db2.gz CUBYISHTVMIHGF-RRFJBIMHSA-N 1 1 264.369 1.821 40 0 CDABMO CC(C)C[N@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099266 342212271 /nfs/dbraw/zinc/21/22/71/342212271.db2.gz AAOWIDOTTRSULI-OAHLLOKOSA-N 1 1 274.368 1.561 40 0 CDABMO CN(C)C(=O)CC[C@]1(O)CCC[N@@H+](Cc2ccccn2)C1 ZINC000585276057 342256188 /nfs/dbraw/zinc/25/61/88/342256188.db2.gz LNUSZTUXVWPUNO-MRXNPFEDSA-N 1 1 291.395 1.277 40 0 CDABMO CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)[C@@H]1[C@@H]1CCCO1 ZINC000329856619 362073533 /nfs/dbraw/zinc/07/35/33/362073533.db2.gz UWQIHDXGDOXTNC-MELADBBJSA-N 1 1 279.384 1.133 40 0 CDABMO C[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000019588526 356492380 /nfs/dbraw/zinc/49/23/80/356492380.db2.gz VDLFJRDBVJXOMF-MRXNPFEDSA-N 1 1 298.390 1.755 40 0 CDABMO O=C(NCCC[NH+]1CCOCC1)Nc1ccc(F)cc1 ZINC000019681773 356495106 /nfs/dbraw/zinc/49/51/06/356495106.db2.gz LTPCWIXCJBTPMO-UHFFFAOYSA-N 1 1 281.331 1.670 40 0 CDABMO O=Cc1sc(=O)[nH]c1-[n+]1ccc(-c2ccncc2)cc1 ZINC000013763415 357306536 /nfs/dbraw/zinc/30/65/36/357306536.db2.gz BGTKJRCNVMEMHV-UHFFFAOYSA-O 1 1 284.320 1.588 40 0 CDABMO C[N@H+]1CCC[C@@H](c2cccc(N3CCOCC3)n2)C1 ZINC000072386617 357832280 /nfs/dbraw/zinc/83/22/80/357832280.db2.gz UPSYWVAMGPCXFM-CYBMUJFWSA-N 1 1 261.369 1.727 40 0 CDABMO CCC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C)CC1 ZINC000019501859 358097449 /nfs/dbraw/zinc/09/74/49/358097449.db2.gz ACFQCROEWBEWSA-AWEZNQCLSA-N 1 1 292.431 1.877 40 0 CDABMO COC[C@H]1C[N@@H+](C)C2(CN(C(=O)c3ccc(C)cn3)C2)C1 ZINC000585093944 358098996 /nfs/dbraw/zinc/09/89/96/358098996.db2.gz RQRFSCRROXCTEL-CYBMUJFWSA-N 1 1 289.379 1.183 40 0 CDABMO O=C(CC1CC1)N1CC2(C1)C[C@H](CO)C[N@H+]2CC1CC1 ZINC000585093862 358099044 /nfs/dbraw/zinc/09/90/44/358099044.db2.gz LIEBSLMFXPAFBZ-AWEZNQCLSA-N 1 1 278.396 1.092 40 0 CDABMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)cc2OC)C1 ZINC000228963290 358105012 /nfs/dbraw/zinc/10/50/12/358105012.db2.gz KTLDKNRZXAAJQR-LBPRGKRZSA-N 1 1 279.336 1.699 40 0 CDABMO COc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082307447 358158004 /nfs/dbraw/zinc/15/80/04/358158004.db2.gz JXERCUSNTHJJCM-ZDUSSCGKSA-N 1 1 262.353 1.653 40 0 CDABMO CS(=O)(=O)N1CCCC[C@@]12CCC[N@@H+](CC1CC1)C2 ZINC000096047432 358706452 /nfs/dbraw/zinc/70/64/52/358706452.db2.gz JHPPIUJQKDESQL-AWEZNQCLSA-N 1 1 286.441 1.677 40 0 CDABMO CCO[C@H]1C[N@@H+](Cc2ccncc2)[C@@H]2CCCO[C@@H]21 ZINC000096057439 358707082 /nfs/dbraw/zinc/70/70/82/358707082.db2.gz RCMRVQQRDQTCCH-ILXRZTDVSA-N 1 1 262.353 1.850 40 0 CDABMO CN(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096161517 358711162 /nfs/dbraw/zinc/71/11/62/358711162.db2.gz DBIORHHRQOGLTO-OKILXGFUSA-N 1 1 274.368 1.127 40 0 CDABMO CO[C@@H]1CC[N@@H+](Cc2cnn(C)c2)[C@H]1Cc1cccnc1 ZINC000096200134 358718396 /nfs/dbraw/zinc/71/83/96/358718396.db2.gz LTANSOPCPJFPBJ-JKSUJKDBSA-N 1 1 286.379 1.647 40 0 CDABMO C[C@H]1C[N@@H+](C)C[C@@]12COCCN(C(=O)c1cccs1)C2 ZINC000096202371 358719595 /nfs/dbraw/zinc/71/95/95/358719595.db2.gz QCEZKUUSIXVNHT-SWLSCSKDSA-N 1 1 294.420 1.788 40 0 CDABMO C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228727 358723526 /nfs/dbraw/zinc/72/35/26/358723526.db2.gz MOQYKUIQOPVYGD-HNNXBMFYSA-N 1 1 294.420 1.933 40 0 CDABMO C[N@H+]1CCCCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096239828 358724421 /nfs/dbraw/zinc/72/44/21/358724421.db2.gz FVMABLISCZBYHL-UHFFFAOYSA-N 1 1 274.368 1.567 40 0 CDABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COC ZINC000224688195 359520768 /nfs/dbraw/zinc/52/07/68/359520768.db2.gz ZMMGMYCLGFKISY-UHFFFAOYSA-N 1 1 292.379 1.619 40 0 CDABMO NC(=O)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000079502095 374060308 /nfs/dbraw/zinc/06/03/08/374060308.db2.gz LXFCCQDLSSOTPF-CQSZACIVSA-N 1 1 262.353 1.195 40 0 CDABMO NC(=O)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000079502095 374060313 /nfs/dbraw/zinc/06/03/13/374060313.db2.gz LXFCCQDLSSOTPF-CQSZACIVSA-N 1 1 262.353 1.195 40 0 CDABMO C[N@H+]1CC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1 ZINC000306126860 374968255 /nfs/dbraw/zinc/96/82/55/374968255.db2.gz FHFKWOQIFGGNDT-OLZOCXBDSA-N 1 1 284.356 1.293 40 0 CDABMO CCCn1nccc1C[NH2+]Cc1ccnn1CCF ZINC000256054407 190005622 /nfs/dbraw/zinc/00/56/22/190005622.db2.gz WDOKSTPTMVQXAS-UHFFFAOYSA-N 1 1 265.336 1.749 40 0 CDABMO CCOCC[N@H+]1CCC[C@@H](Cc2nccnc2NC)C1 ZINC000257229171 190016340 /nfs/dbraw/zinc/01/63/40/190016340.db2.gz FWYTWIHHHYOQJT-ZDUSSCGKSA-N 1 1 278.400 1.809 40 0 CDABMO COCC[N@H+]1CCC[C@H](c2nccnc2-c2cn[nH]c2)C1 ZINC000257256677 190021268 /nfs/dbraw/zinc/02/12/68/190021268.db2.gz KMLLXLWXVLHALP-LBPRGKRZSA-N 1 1 287.367 1.693 40 0 CDABMO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000257259121 190021326 /nfs/dbraw/zinc/02/13/26/190021326.db2.gz KWXIRPNIVPWSJW-CYBMUJFWSA-N 1 1 271.368 1.963 40 0 CDABMO CCOC[C@]1([NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218557805 375856930 /nfs/dbraw/zinc/85/69/30/375856930.db2.gz HZUADBQIHGETLA-AGIUHOORSA-N 1 1 287.356 1.070 40 0 CDABMO COc1ccc([C@@H]2CN(Cc3c[nH]cn3)CC[N@@H+]2C)cc1 ZINC000257319039 190033159 /nfs/dbraw/zinc/03/31/59/190033159.db2.gz VQKQIPKSCGGDQU-INIZCTEOSA-N 1 1 286.379 1.907 40 0 CDABMO COc1ccc([C@@H]2CN(Cc3c[nH]cn3)CC[N@H+]2C)cc1 ZINC000257319039 190033160 /nfs/dbraw/zinc/03/31/60/190033160.db2.gz VQKQIPKSCGGDQU-INIZCTEOSA-N 1 1 286.379 1.907 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257326517 190034575 /nfs/dbraw/zinc/03/45/75/190034575.db2.gz WXLZSFLFSVFSLF-CYBMUJFWSA-N 1 1 287.367 1.396 40 0 CDABMO COCCN1C[C@@H]2C[N@@H+](Cc3ccc(C)s3)C[C@@H]2C1=O ZINC000096244982 256831384 /nfs/dbraw/zinc/83/13/84/256831384.db2.gz CMJFKWKJEMYLQI-JSGCOSHPSA-N 1 1 294.420 1.593 40 0 CDABMO CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@]2([NH3+])COC)cc1 ZINC000218541736 391083819 /nfs/dbraw/zinc/08/38/19/391083819.db2.gz XDUKOBOFCOXIML-RRFJBIMHSA-N 1 1 297.420 1.493 40 0 CDABMO CN(C)C(=O)[C@@H]1CN(C)CC[N@H+](C2CCCCC2)C1 ZINC000257340452 391649866 /nfs/dbraw/zinc/64/98/66/391649866.db2.gz ZGFKFMJTAAPYTP-CYBMUJFWSA-N 1 1 267.417 1.271 40 0 CDABMO CC[NH+]1CCN(C(=O)Cc2ccc(OC)c(C)c2)CC1 ZINC000074959617 260288741 /nfs/dbraw/zinc/28/87/41/260288741.db2.gz IBCGMAMMVDGZAD-UHFFFAOYSA-N 1 1 276.380 1.710 40 0 CDABMO Cc1cc(N)nc([C@@]2(C)CCC[N@H+]2C2CCOCC2)n1 ZINC000257203916 301330919 /nfs/dbraw/zinc/33/09/19/301330919.db2.gz ASEORVPFFWZQAR-OAHLLOKOSA-N 1 1 276.384 1.857 40 0 CDABMO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC000130877973 323210744 /nfs/dbraw/zinc/21/07/44/323210744.db2.gz RSFZWUNZKVJMJV-RYUDHWBXSA-N 1 1 292.383 1.861 40 0 CDABMO Cn1cc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)cn1 ZINC000096110686 342451656 /nfs/dbraw/zinc/45/16/56/342451656.db2.gz NCAMOZYNKFWSLB-HZPDHXFCSA-N 1 1 290.411 1.105 40 0 CDABMO Cc1cccc(C[N@H+]2C[C@@H](N(C)C)[C@H]3OCCC[C@H]3C2)n1 ZINC000096040581 185068949 /nfs/dbraw/zinc/06/89/49/185068949.db2.gz ONHMQJTYYIRPIO-UAGQMJEPSA-N 1 1 289.423 1.931 40 0 CDABMO Cc1cccc(C[N@@H+]2C[C@@H](N(C)C)[C@H]3OCCC[C@H]3C2)n1 ZINC000096040581 185068951 /nfs/dbraw/zinc/06/89/51/185068951.db2.gz ONHMQJTYYIRPIO-UAGQMJEPSA-N 1 1 289.423 1.931 40 0 CDABMO O=C(c1ccco1)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC000096071621 185086278 /nfs/dbraw/zinc/08/62/78/185086278.db2.gz XEGPTIOLYAWLKI-HNNXBMFYSA-N 1 1 278.352 1.200 40 0 CDABMO CCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC000096070938 185086701 /nfs/dbraw/zinc/08/67/01/185086701.db2.gz LPDGEMOLYHKYAO-UHFFFAOYSA-N 1 1 294.420 1.819 40 0 CDABMO COc1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1C ZINC000224897833 539043926 /nfs/dbraw/zinc/04/39/26/539043926.db2.gz DKWMFVUYHYPDSB-UHFFFAOYSA-N 1 1 276.380 1.710 40 0 CDABMO COC[C@]1(CC(N)=O)CCC[N@H+]1Cc1ccccc1F ZINC000585275250 342256160 /nfs/dbraw/zinc/25/61/60/342256160.db2.gz BBKQCCGVJZUCJX-OAHLLOKOSA-N 1 1 280.343 1.682 40 0 CDABMO CCc1ncc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)cn1 ZINC000585285311 342258593 /nfs/dbraw/zinc/25/85/93/342258593.db2.gz XJGKXFWHAAWYCR-OAHLLOKOSA-N 1 1 275.352 1.711 40 0 CDABMO C[N@@H+]1Cc2ccnn2C[C@@H](CCNC(=O)CC2CC2)C1 ZINC000247721603 362128531 /nfs/dbraw/zinc/12/85/31/362128531.db2.gz BARCYDFHGBDCDV-ZDUSSCGKSA-N 1 1 276.384 1.251 40 0 CDABMO CN1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000314314001 344911673 /nfs/dbraw/zinc/91/16/73/344911673.db2.gz MOGVBIOSSDMYCC-LBPRGKRZSA-N 1 1 294.374 1.372 40 0 CDABMO CN(CCC(=O)Nc1cc(N)ccc1F)[C@H]1CC[N@H+](C)C1 ZINC000314314001 344911675 /nfs/dbraw/zinc/91/16/75/344911675.db2.gz MOGVBIOSSDMYCC-LBPRGKRZSA-N 1 1 294.374 1.372 40 0 CDABMO CN(CCC(=O)Nc1cc(N)ccc1F)[C@H]1CC[N@@H+](C)C1 ZINC000314314001 344911676 /nfs/dbraw/zinc/91/16/76/344911676.db2.gz MOGVBIOSSDMYCC-LBPRGKRZSA-N 1 1 294.374 1.372 40 0 CDABMO COc1ccnc(C[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000106859981 186142851 /nfs/dbraw/zinc/14/28/51/186142851.db2.gz RULPYAQXAGREOM-UHFFFAOYSA-N 1 1 290.367 1.080 40 0 CDABMO COCC[N@H+]1CC[C@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000107225741 186163257 /nfs/dbraw/zinc/16/32/57/186163257.db2.gz BARYWAMDNKJXDT-CVEARBPZSA-N 1 1 277.364 1.945 40 0 CDABMO C[C@@H](C(=O)N1CCC[C@@H]1CO)[N@@H+]1CCc2ccccc2C1 ZINC000154002522 188116887 /nfs/dbraw/zinc/11/68/87/188116887.db2.gz IUOAYNGQMAJONP-XJKSGUPXSA-N 1 1 288.391 1.417 40 0 CDABMO C[C@@H](C(=O)N1CCC[C@@H]1CO)[N@H+]1CCc2ccccc2C1 ZINC000154002522 188116888 /nfs/dbraw/zinc/11/68/88/188116888.db2.gz IUOAYNGQMAJONP-XJKSGUPXSA-N 1 1 288.391 1.417 40 0 CDABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000082332427 358160845 /nfs/dbraw/zinc/16/08/45/358160845.db2.gz PQTPSLOYVOZHKQ-NSHDSACASA-N 1 1 278.352 1.984 40 0 CDABMO COCC[N@H+]1CCC2(CN(Cc3ccc(OC)cc3)C2)C1 ZINC000096202487 358719383 /nfs/dbraw/zinc/71/93/83/358719383.db2.gz IJNUODPWXLGVMM-UHFFFAOYSA-N 1 1 290.407 1.849 40 0 CDABMO CS(=O)(=O)N1CCC[C@@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096215004 358721502 /nfs/dbraw/zinc/72/15/02/358721502.db2.gz SONYKKZEMFEPHR-CQSZACIVSA-N 1 1 298.408 1.670 40 0 CDABMO CS(=O)(=O)N1CCC[C@@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096215004 358721503 /nfs/dbraw/zinc/72/15/03/358721503.db2.gz SONYKKZEMFEPHR-CQSZACIVSA-N 1 1 298.408 1.670 40 0 CDABMO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2O1)N1CCC1 ZINC000096219658 358722527 /nfs/dbraw/zinc/72/25/27/358722527.db2.gz YUVWYTMIBFXKAD-NWANDNLSSA-N 1 1 290.363 1.491 40 0 CDABMO CCC[N@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccco3)CC[C@@H]21 ZINC000096250293 358726222 /nfs/dbraw/zinc/72/62/22/358726222.db2.gz DPKWKMFMBGRXIX-VNHYZAJKSA-N 1 1 292.379 1.899 40 0 CDABMO COc1cc(OC)cc(-c2n[nH]c(SCC[NH3+])n2)c1 ZINC000224978378 359541410 /nfs/dbraw/zinc/54/14/10/359541410.db2.gz ZMZABNIPSHRQIR-UHFFFAOYSA-N 1 1 280.353 1.540 40 0 CDABMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000075837441 366889833 /nfs/dbraw/zinc/88/98/33/366889833.db2.gz VMDZXINKFCTKOC-QXSJWSMHSA-N 1 1 282.428 1.333 40 0 CDABMO CN1c2cccnc2C[N@@H+](C2CCOCC2)CC[C@H]1CO ZINC000225496946 374554165 /nfs/dbraw/zinc/55/41/65/374554165.db2.gz UMBLAOVUOXOGTF-AWEZNQCLSA-N 1 1 291.395 1.263 40 0 biogenic,in-vitro CDABMO Cc1nc(C)c(C[N@@H+](C)C2CCS(=O)(=O)CC2)s1 ZINC000079470529 374812859 /nfs/dbraw/zinc/81/28/59/374812859.db2.gz MZKWYFKJBDMRQE-UHFFFAOYSA-N 1 1 288.438 1.769 40 0 CDABMO Cc1nc(C)c(C[N@H+](C)C2CCS(=O)(=O)CC2)s1 ZINC000079470529 374812863 /nfs/dbraw/zinc/81/28/63/374812863.db2.gz MZKWYFKJBDMRQE-UHFFFAOYSA-N 1 1 288.438 1.769 40 0 CDABMO Cc1nccc([C@@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)n1 ZINC000257203913 190011238 /nfs/dbraw/zinc/01/12/38/190011238.db2.gz ASDXKTGUXIWXOM-CQSZACIVSA-N 1 1 291.395 1.506 40 0 CDABMO Cc1cc(C[C@H]2COCC[N@H+](C3CCOCC3)C2)ncn1 ZINC000257207619 190012527 /nfs/dbraw/zinc/01/25/27/190012527.db2.gz BIMXAPANGKSOSZ-CQSZACIVSA-N 1 1 291.395 1.455 40 0 CDABMO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cncn3C)C2)n1 ZINC000257219012 190014072 /nfs/dbraw/zinc/01/40/72/190014072.db2.gz DFGKLSCYRUNGON-GFCCVEGCSA-N 1 1 259.357 1.831 40 0 CDABMO Cn1cc(C[N@H+]2C[C@H](O)[C@]3(CCCO3)C2)c2ccccc21 ZINC000257220075 190014414 /nfs/dbraw/zinc/01/44/14/190014414.db2.gz DJKYBYHQLUANFB-IRXDYDNUSA-N 1 1 286.375 1.904 40 0 CDABMO C[C@]1(C(N)=O)C[N@H+](CCCOc2ccccc2F)CCO1 ZINC000257225935 190015289 /nfs/dbraw/zinc/01/52/89/190015289.db2.gz FILUDJVXSXCKAD-OAHLLOKOSA-N 1 1 296.342 1.171 40 0 CDABMO C[C@]1(C(N)=O)C[N@@H+](CCCOc2ccccc2F)CCO1 ZINC000257225935 190015290 /nfs/dbraw/zinc/01/52/90/190015290.db2.gz FILUDJVXSXCKAD-OAHLLOKOSA-N 1 1 296.342 1.171 40 0 CDABMO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2cccs2)CC[C@@H]1O ZINC000257240412 190018781 /nfs/dbraw/zinc/01/87/81/190018781.db2.gz HTISLWWKENPWRK-KBPBESRZSA-N 1 1 296.436 1.846 40 0 CDABMO CNC(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000257255126 190021173 /nfs/dbraw/zinc/02/11/73/190021173.db2.gz KGELZUVDLODOAC-NSHDSACASA-N 1 1 274.324 1.352 40 0 CDABMO COc1ncc(C[N@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)cn1 ZINC000257284249 190026104 /nfs/dbraw/zinc/02/61/04/190026104.db2.gz PBWJYDKGBFTQLI-ZFWWWQNUSA-N 1 1 293.367 1.255 40 0 CDABMO COc1ncc(C[N@@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)cn1 ZINC000257284249 190026105 /nfs/dbraw/zinc/02/61/05/190026105.db2.gz PBWJYDKGBFTQLI-ZFWWWQNUSA-N 1 1 293.367 1.255 40 0 CDABMO NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(-n2ccnc2)nc1 ZINC000257300753 190029725 /nfs/dbraw/zinc/02/97/25/190029725.db2.gz RVOTYZZEVZHBBA-CYBMUJFWSA-N 1 1 285.351 1.280 40 0 CDABMO NC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(-n2ccnc2)nc1 ZINC000257300753 190029726 /nfs/dbraw/zinc/02/97/26/190029726.db2.gz RVOTYZZEVZHBBA-CYBMUJFWSA-N 1 1 285.351 1.280 40 0 CDABMO O=C(C1CC=CC1)N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096161513 256813080 /nfs/dbraw/zinc/81/30/80/256813080.db2.gz XYPKVRCPLFQSHB-CALCHBBNSA-N 1 1 297.402 1.938 40 0 CDABMO CN1CCN(c2ccc([C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000072216534 390621325 /nfs/dbraw/zinc/62/13/25/390621325.db2.gz QDJDBDQKADVQHC-AWEZNQCLSA-N 1 1 260.385 1.648 40 0 CDABMO O=C(C[N@H+]1CCCCC[C@H]1c1ccco1)N1CCNC1=O ZINC000076804175 390946284 /nfs/dbraw/zinc/94/62/84/390946284.db2.gz KFVICTNTLDFOBW-LBPRGKRZSA-N 1 1 291.351 1.749 40 0 CDABMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncnc2)C1 ZINC000332845714 390979977 /nfs/dbraw/zinc/97/99/77/390979977.db2.gz GRBFRFCPROXMFO-LSDHHAIUSA-N 1 1 282.347 1.304 40 0 CDABMO CCNc1ncc(CNC[C@H]2CCC[N@@H+]2CC)cn1 ZINC000062718433 391575558 /nfs/dbraw/zinc/57/55/58/391575558.db2.gz FTJVUOKDJGNQRH-CYBMUJFWSA-N 1 1 263.389 1.482 40 0 CDABMO CCNc1ncc(CNC[C@H]2CCC[N@H+]2CC)cn1 ZINC000062718433 391575563 /nfs/dbraw/zinc/57/55/63/391575563.db2.gz FTJVUOKDJGNQRH-CYBMUJFWSA-N 1 1 263.389 1.482 40 0 CDABMO C[N@H+]1CCN(c2ccncn2)C[C@@H]1c1ccccc1 ZINC000257205635 391648556 /nfs/dbraw/zinc/64/85/56/391648556.db2.gz AZYNYWUGHGIXGI-CQSZACIVSA-N 1 1 254.337 1.970 40 0 CDABMO COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@H](C2)[N@H+](C)CC[C@@]314 ZINC000003830598 169914211 /nfs/dbraw/zinc/91/42/11/169914211.db2.gz OROGSEYTTFOCAN-KIHUKQFUSA-N 1 1 299.370 1.501 40 0 CDABMO Cc1ccnn1CC(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC000072254194 176350809 /nfs/dbraw/zinc/35/08/09/176350809.db2.gz NCJOSUZPPCEBHE-UHFFFAOYSA-N 1 1 276.384 1.136 40 0 CDABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000072355672 176375224 /nfs/dbraw/zinc/37/52/24/176375224.db2.gz JZGYFRDFGQTCKH-AWEZNQCLSA-N 1 1 286.379 1.959 40 0 CDABMO COCC[N@H+]1CCC[C@H]1c1cc(CCC(N)=O)cc(C)n1 ZINC000072360458 176376733 /nfs/dbraw/zinc/37/67/33/176376733.db2.gz VHRBTPDXZXHSMB-HNNXBMFYSA-N 1 1 291.395 1.591 40 0 CDABMO COCCN(C)c1cc(C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365220 176380825 /nfs/dbraw/zinc/38/08/25/176380825.db2.gz VRQWUJNXXYEBAL-ZDUSSCGKSA-N 1 1 278.400 1.677 40 0 CDABMO Cc1cc(C(=O)NCC(C)C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072369339 176384044 /nfs/dbraw/zinc/38/40/44/176384044.db2.gz HVPONFVGTHVKAU-ZDUSSCGKSA-N 1 1 290.411 1.980 40 0 CDABMO Cc1cncc([C@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)n1 ZINC000072369405 176384247 /nfs/dbraw/zinc/38/42/47/176384247.db2.gz NMXFUABAOVBMKY-ZDUSSCGKSA-N 1 1 271.368 1.898 40 0 CDABMO Cc1cncc([C@H]2CCC[N@H+](Cc3ccn(C)n3)C2)n1 ZINC000072369405 176384249 /nfs/dbraw/zinc/38/42/49/176384249.db2.gz NMXFUABAOVBMKY-ZDUSSCGKSA-N 1 1 271.368 1.898 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc2cccnc21 ZINC000072397658 176394964 /nfs/dbraw/zinc/39/49/64/176394964.db2.gz QOLXLKGUIRIETM-KBRIMQKVSA-N 1 1 297.402 1.874 40 0 CDABMO O[C@H](C[C@@H]1CCC[N@H+]1CCn1cncn1)c1ccccc1 ZINC000076106971 176915365 /nfs/dbraw/zinc/91/53/65/176915365.db2.gz WRPKONRKGMSSNK-JKSUJKDBSA-N 1 1 286.379 1.866 40 0 CDABMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](CCS(C)(=O)=O)C2)cc1 ZINC000076393045 177014295 /nfs/dbraw/zinc/01/42/95/177014295.db2.gz WPLZMBYXNBJWHB-OCCSQVGLSA-N 1 1 297.420 1.918 40 0 CDABMO COCCc1noc(C[NH2+][C@@](C)(CO)C2CCCCC2)n1 ZINC000077656282 177291784 /nfs/dbraw/zinc/29/17/84/177291784.db2.gz HMAFUSVCGIHUCI-HNNXBMFYSA-N 1 1 297.399 1.679 40 0 CDABMO c1cnc2[nH]c([C@H]3CC[N@H+](C4CCOCC4)C3)nc2c1 ZINC000049168810 275073716 /nfs/dbraw/zinc/07/37/16/275073716.db2.gz FKTNSTDKXYFAII-NSHDSACASA-N 1 1 272.352 1.926 40 0 biogenic,in-vitro CDABMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172240390 482497861 /nfs/dbraw/zinc/49/78/61/482497861.db2.gz URZDKIIIHARTFL-LPWJVIDDSA-N 1 1 252.358 1.297 40 0 CDABMO CCn1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)nn1 ZINC000899880333 622502487 /nfs/dbraw/zinc/50/24/87/622502487.db2.gz QLEKEDHCDVNVSS-NSHDSACASA-N 1 1 256.300 1.919 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(C)s3)C[C@@H]2N1C ZINC000096182482 342451636 /nfs/dbraw/zinc/45/16/36/342451636.db2.gz YTYXXVWYDPOLBU-BNOWGMLFSA-N 1 1 293.436 1.307 40 0 CDABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCOCC2)N1CC1CC1 ZINC000096056558 185077967 /nfs/dbraw/zinc/07/79/67/185077967.db2.gz VAEKPKNQFFNOTO-HZPDHXFCSA-N 1 1 292.423 1.888 40 0 CDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)NC1CC1 ZINC000096057284 185078136 /nfs/dbraw/zinc/07/81/36/185078136.db2.gz MFFKSAUTOQXXBY-NFAWXSAZSA-N 1 1 278.396 1.260 40 0 CDABMO COCCN1CC[N@H+](Cc2ccncc2)Cc2cccnc21 ZINC000096060929 185082612 /nfs/dbraw/zinc/08/26/12/185082612.db2.gz MCEDZKLDXXJEMC-UHFFFAOYSA-N 1 1 298.390 1.945 40 0 CDABMO COCCN1CC[N@@H+](Cc2ccncc2)Cc2cccnc21 ZINC000096060929 185082614 /nfs/dbraw/zinc/08/26/14/185082614.db2.gz MCEDZKLDXXJEMC-UHFFFAOYSA-N 1 1 298.390 1.945 40 0 CDABMO C[C@H]1[NH2+]CCn2c(COCc3ccccn3)cnc21 ZINC000096109902 185099752 /nfs/dbraw/zinc/09/97/52/185099752.db2.gz FAVUXCIAYBEAIE-LLVKDONJSA-N 1 1 258.325 1.659 40 0 CDABMO Cc1nnc([C@]23COC[C@H]2C[N@@H+](Cc2cccs2)C3)o1 ZINC000096110103 185101416 /nfs/dbraw/zinc/10/14/16/185101416.db2.gz IBYYYTCVLXKRHW-BXUZGUMPSA-N 1 1 291.376 1.840 40 0 CDABMO CC1(C)[C@H]2CC[C@]1(C)[C@@]([C@@H](C[NH3+])CO)(N1CCOCC1)C2 ZINC000072210472 342272758 /nfs/dbraw/zinc/27/27/58/342272758.db2.gz UIXKQOSLDXLKKT-NXNVCVFFSA-N 1 1 296.455 1.471 40 0 CDABMO C[N@@H+]1Cc2cccn2C[C@H](C(=O)NCCc2ccncc2)C1 ZINC000248130483 362153148 /nfs/dbraw/zinc/15/31/48/362153148.db2.gz MZWASYCIULFPQA-OAHLLOKOSA-N 1 1 298.390 1.304 40 0 CDABMO c1cc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)co1 ZINC000253588455 362439547 /nfs/dbraw/zinc/43/95/47/362439547.db2.gz DEOKXVDOAVQACW-HOTGVXAUSA-N 1 1 276.380 1.965 40 0 CDABMO O=C([C@H]1C[N@@H+](CC2CC2)[C@@H]2CCO[C@@H]21)N1CCCCO1 ZINC000108526357 186220734 /nfs/dbraw/zinc/22/07/34/186220734.db2.gz JLIFIEOOGMLUNI-BFHYXJOUSA-N 1 1 280.368 1.040 40 0 CDABMO C[C@@H]1CC[C@@H](C)N1c1cc[nH+]c(N2CCOCC2)n1 ZINC000353271459 363316491 /nfs/dbraw/zinc/31/64/91/363316491.db2.gz YNJCDKBNMGAQLZ-VXGBXAGGSA-N 1 1 262.357 1.690 40 0 CDABMO Cc1c(C[N@H+]2CC[C@@H](C(=O)N3CCCCC3)C2)cnn1C ZINC000019745446 356499162 /nfs/dbraw/zinc/49/91/62/356499162.db2.gz OALOWQPLXYGZSR-CQSZACIVSA-N 1 1 290.411 1.563 40 0 CDABMO O=C(NC[C@@H]1CCC[N@H+](CCO)C1)OCc1ccccc1 ZINC000079410904 356993218 /nfs/dbraw/zinc/99/32/18/356993218.db2.gz ONWVBSRIXBQHIJ-HNNXBMFYSA-N 1 1 292.379 1.617 40 0 CDABMO Cc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)ncn1 ZINC000072385521 357832310 /nfs/dbraw/zinc/83/23/10/357832310.db2.gz BPOVIOQVNXLZGR-UHFFFAOYSA-N 1 1 271.368 1.978 40 0 CDABMO CN(C)C(=O)[C@H]1Cn2nccc2C[N@@H+](Cc2ccccc2)C1 ZINC000096188779 358715400 /nfs/dbraw/zinc/71/54/00/358715400.db2.gz SNFZOVLUSFLACY-OAHLLOKOSA-N 1 1 298.390 1.603 40 0 CDABMO CC[N@H+]1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC000096244447 358724772 /nfs/dbraw/zinc/72/47/72/358724772.db2.gz IKYWVZIEWBTCAP-HNNXBMFYSA-N 1 1 276.384 1.345 40 0 CDABMO c1ccc(OCc2nnc3n2CC[N@@H+](CC2CC2)C3)nc1 ZINC000096259034 358728579 /nfs/dbraw/zinc/72/85/79/358728579.db2.gz YDMUSLAQMSQFMM-UHFFFAOYSA-N 1 1 285.351 1.478 40 0 CDABMO c1ccc(OCc2nnc3n2CC[N@H+](CC2CC2)C3)nc1 ZINC000096259034 358728581 /nfs/dbraw/zinc/72/85/81/358728581.db2.gz YDMUSLAQMSQFMM-UHFFFAOYSA-N 1 1 285.351 1.478 40 0 CDABMO CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096268681 358730547 /nfs/dbraw/zinc/73/05/47/358730547.db2.gz NNCQWGNIOGCEQZ-MRXNPFEDSA-N 1 1 273.380 1.916 40 0 CDABMO CC(C)c1ccc(NC(=O)C[C@H]([NH2+]CCN)C(=O)[O-])cc1 ZINC000096305817 358732924 /nfs/dbraw/zinc/73/29/24/358732924.db2.gz VTOUYQXVIYTGRQ-ZDUSSCGKSA-N 1 1 293.367 1.140 40 0 CDABMO CC(C)c1ccc(NC(=O)C[C@H]([NH2+]CC[NH3+])C(=O)[O-])cc1 ZINC000096305817 358732927 /nfs/dbraw/zinc/73/29/27/358732927.db2.gz VTOUYQXVIYTGRQ-ZDUSSCGKSA-N 1 1 293.367 1.140 40 0 CDABMO COc1ccc(Cc2n[nH]c(SCC[NH3+])n2)cc1OC ZINC000224979021 359541129 /nfs/dbraw/zinc/54/11/29/359541129.db2.gz JVCXUPJHJUCVLK-UHFFFAOYSA-N 1 1 294.380 1.464 40 0 CDABMO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000514289851 360122889 /nfs/dbraw/zinc/12/28/89/360122889.db2.gz PIPVXFXRBWRQJK-HIFRSBDPSA-N 1 1 272.348 1.756 40 0 biogenic,in-vitro CDABMO CSc1ccc(OCC[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000075752575 360359538 /nfs/dbraw/zinc/35/95/38/360359538.db2.gz YLDXFHCQJLUTIN-CQSZACIVSA-N 1 1 294.420 1.950 40 0 CDABMO C[N@H+]1CCC[C@@H](CNC(=O)NCCC(F)(F)F)C1 ZINC000074161590 360582992 /nfs/dbraw/zinc/58/29/92/360582992.db2.gz NCYMHJWWWMONMY-VIFPVBQESA-N 1 1 267.295 1.580 40 0 CDABMO c1cn(CC2CC[NH+](Cc3cnns3)CC2)nn1 ZINC000289582661 239165935 /nfs/dbraw/zinc/16/59/35/239165935.db2.gz HMIHOZGMJXZHAI-UHFFFAOYSA-N 1 1 264.358 1.042 40 0 CDABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218442561 370334957 /nfs/dbraw/zinc/33/49/57/370334957.db2.gz SKVAXYJGDQKULE-MELADBBJSA-N 1 1 283.393 1.239 40 0 CDABMO C[N@H+](CC(=O)NC1CCCCCCC1)C[C@@H](O)C1CC1 ZINC000079767859 374841044 /nfs/dbraw/zinc/84/10/44/374841044.db2.gz FYJCRXAETZJVBD-OAHLLOKOSA-N 1 1 282.428 1.918 40 0 CDABMO CN1CCC[N@@H+](CCCCC2CCOCC2)CC1=O ZINC000225628884 375174398 /nfs/dbraw/zinc/17/43/98/375174398.db2.gz GRVBBXCCLIKALT-UHFFFAOYSA-N 1 1 268.401 1.747 40 0 CDABMO CC[C@H]1CN(c2ccc(F)cn2)CC[N@H+]1CCOC ZINC000225819783 375213664 /nfs/dbraw/zinc/21/36/64/375213664.db2.gz CRMVTCLZXBXJTG-ZDUSSCGKSA-N 1 1 267.348 1.768 40 0 CDABMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000056903720 375383967 /nfs/dbraw/zinc/38/39/67/375383967.db2.gz IESHZFZXZRFHQW-UHFFFAOYSA-N 1 1 291.370 1.474 40 0 CDABMO Cc1cc(C[NH2+]Cc2cc(C(C)C)nn2C)n(C)n1 ZINC000256054825 190005236 /nfs/dbraw/zinc/00/52/36/190005236.db2.gz XYWUDROYVAVSEA-UHFFFAOYSA-N 1 1 261.373 1.875 40 0 CDABMO CCc1[nH+]ccn1CCC(=O)N1CC[C@@H](c2cc[nH]n2)C1 ZINC000257204404 190011195 /nfs/dbraw/zinc/01/11/95/190011195.db2.gz AUKJZGJHWVRJDH-GFCCVEGCSA-N 1 1 287.367 1.575 40 0 CDABMO C[NH+](C)Cc1cncc([C@H]2CCCN2Cc2cc[nH]n2)n1 ZINC000257204769 190011341 /nfs/dbraw/zinc/01/13/41/190011341.db2.gz AWFDJDAEFWCSMQ-OAHLLOKOSA-N 1 1 286.383 1.598 40 0 CDABMO Cc1nc[nH]c1CN1CCO[C@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257280850 190025256 /nfs/dbraw/zinc/02/52/56/190025256.db2.gz OMQXVPNWXBHSNS-HNNXBMFYSA-N 1 1 287.367 1.577 40 0 CDABMO CNC(=O)CCc1cc([C@H]2CCCC[N@H+]2C)nc(C)n1 ZINC000257280382 190025905 /nfs/dbraw/zinc/02/59/05/190025905.db2.gz OKPWHHIPXPQYQJ-CQSZACIVSA-N 1 1 276.384 1.620 40 0 CDABMO COC(=O)[C@]1([NH3+])CCc2c(OC)ccc(OC)c2C1 ZINC000040435182 378073334 /nfs/dbraw/zinc/07/33/34/378073334.db2.gz FJOHNAWIKHXDST-AWEZNQCLSA-N 1 1 265.309 1.063 40 0 CDABMO CC(=O)N1CC[C@]2(CC[N@H+](Cc3cc(C)on3)C2)C1 ZINC000063527621 378303344 /nfs/dbraw/zinc/30/33/44/378303344.db2.gz KUFGTZONRUNIJT-AWEZNQCLSA-N 1 1 263.341 1.427 40 0 CDABMO CC(=O)N1CC[C@]2(CC[N@@H+](Cc3cc(C)on3)C2)C1 ZINC000063527621 378303350 /nfs/dbraw/zinc/30/33/50/378303350.db2.gz KUFGTZONRUNIJT-AWEZNQCLSA-N 1 1 263.341 1.427 40 0 CDABMO COCCN1CC[C@@]2(CCC[N@@H+](Cc3ccco3)C2)C1=O ZINC000096223963 256828469 /nfs/dbraw/zinc/82/84/69/256828469.db2.gz DIBVYDVHAQSSLR-MRXNPFEDSA-N 1 1 292.379 1.741 40 0 CDABMO CC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216573 390622300 /nfs/dbraw/zinc/62/23/00/390622300.db2.gz BLNBEPWRWBDJKX-OAHLLOKOSA-N 1 1 274.412 1.990 40 0 CDABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216573 390622301 /nfs/dbraw/zinc/62/23/01/390622301.db2.gz BLNBEPWRWBDJKX-OAHLLOKOSA-N 1 1 274.412 1.990 40 0 CDABMO C[N@@H+]1CCO[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096157089 390912929 /nfs/dbraw/zinc/91/29/29/390912929.db2.gz CPNRZYXOOHRVHW-QGZVFWFLSA-N 1 1 288.391 1.552 40 0 CDABMO C[N@H+]1CCO[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096157089 390912931 /nfs/dbraw/zinc/91/29/31/390912931.db2.gz CPNRZYXOOHRVHW-QGZVFWFLSA-N 1 1 288.391 1.552 40 0 CDABMO CC(C)[N@@H+]1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1 ZINC000247978897 391424270 /nfs/dbraw/zinc/42/42/70/391424270.db2.gz JBXYDJXOTDUCCO-AWEZNQCLSA-N 1 1 279.384 1.186 40 0 CDABMO C[N@@H+]1CCO[C@](C)(C(=O)Nc2cnc3ccccc3c2)C1 ZINC000257201303 391647936 /nfs/dbraw/zinc/64/79/36/391647936.db2.gz AHCGQJWQRTVZOI-INIZCTEOSA-N 1 1 285.347 1.894 40 0 CDABMO C[N@H+]1CCO[C@](C)(C(=O)Nc2cnc3ccccc3c2)C1 ZINC000257201303 391647941 /nfs/dbraw/zinc/64/79/41/391647941.db2.gz AHCGQJWQRTVZOI-INIZCTEOSA-N 1 1 285.347 1.894 40 0 CDABMO CCCCOC(=O)[C@H]([NH3+])Cc1ccc(OC)cc1 ZINC000005973660 170164259 /nfs/dbraw/zinc/16/42/59/170164259.db2.gz SIZOXWMEHDZWQV-CYBMUJFWSA-N 1 1 251.326 1.908 40 0 CDABMO O=C(CN1CCOCC1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000020458666 171208871 /nfs/dbraw/zinc/20/88/71/171208871.db2.gz SDSXUQAOBNTGTH-GJZGRUSLSA-N 1 1 296.411 1.126 40 0 CDABMO Cc1ccc2c(cnn2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000040758715 174396982 /nfs/dbraw/zinc/39/69/82/174396982.db2.gz PAMURJNBIVZMPH-UHFFFAOYSA-N 1 1 286.379 1.509 40 0 CDABMO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000072379429 176386631 /nfs/dbraw/zinc/38/66/31/176386631.db2.gz IQPKVWYGKAVREE-CQSZACIVSA-N 1 1 282.347 1.766 40 0 CDABMO NC(=O)C[N@H+]1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000072379429 176386632 /nfs/dbraw/zinc/38/66/32/176386632.db2.gz IQPKVWYGKAVREE-CQSZACIVSA-N 1 1 282.347 1.766 40 0 CDABMO CN(C)C(=O)CCc1cccc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072382832 176388433 /nfs/dbraw/zinc/38/84/33/176388433.db2.gz NJLHKSSETAOLMO-CYBMUJFWSA-N 1 1 275.396 1.912 40 0 CDABMO CNC(=O)c1cnn2c1nccc2[C@H]1CC[N@H+](C(C)C)C1 ZINC000257281057 277019278 /nfs/dbraw/zinc/01/92/78/277019278.db2.gz ONLAUQVCHPLKBX-NSHDSACASA-N 1 1 287.367 1.287 40 0 CDABMO CC[NH+](CC)Cc1cnc2n1CCN([C@H]1CCOC1)CC2 ZINC000096067883 279138922 /nfs/dbraw/zinc/13/89/22/279138922.db2.gz YDETXXVEMPSNBD-AWEZNQCLSA-N 1 1 292.427 1.372 40 0 CDABMO Cc1cn[nH]c1[C@@H]1COCCN1C1CC[NH+](C)CC1 ZINC000257336201 302329533 /nfs/dbraw/zinc/32/95/33/302329533.db2.gz YNNDFULJNQUTFF-ZDUSSCGKSA-N 1 1 264.373 1.186 40 0 CDABMO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000922026203 687070820 /nfs/dbraw/zinc/07/08/20/687070820.db2.gz NAFMKHRCHJPOMW-NSHDSACASA-N 1 1 260.403 1.141 40 0 CDABMO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000922026203 687070823 /nfs/dbraw/zinc/07/08/23/687070823.db2.gz NAFMKHRCHJPOMW-NSHDSACASA-N 1 1 260.403 1.141 40 0 CDABMO [NH3+][C@@H](c1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000095533407 185006936 /nfs/dbraw/zinc/00/69/36/185006936.db2.gz LBGAEMWNQASVEU-GFCCVEGCSA-N 1 1 251.293 1.915 40 0 CDABMO c1cc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)co1 ZINC000096054992 185075784 /nfs/dbraw/zinc/07/57/84/185075784.db2.gz DEOKXVDOAVQACW-HZPDHXFCSA-N 1 1 276.380 1.965 40 0 CDABMO COC[C@@H]1C[N@@H+](CC2CC2)Cc2nnn(CC3CC3)c21 ZINC000096060898 185083386 /nfs/dbraw/zinc/08/33/86/185083386.db2.gz IHZBHVAKGOMUEJ-ZDUSSCGKSA-N 1 1 276.384 1.644 40 0 CDABMO COCC[N@H+]1CC[C@@]12CCN(C(=O)c1cccc(F)c1)C2 ZINC000096075965 185089487 /nfs/dbraw/zinc/08/94/87/185089487.db2.gz KOWAMVOFWIMZLT-MRXNPFEDSA-N 1 1 292.354 1.763 40 0 CDABMO c1cnc(N2C[C@@H]3C[N@@H+](Cc4ccncc4)C[C@@H]3C2)nc1 ZINC000096110660 185101529 /nfs/dbraw/zinc/10/15/29/185101529.db2.gz SYONVFYXOKCHRI-GASCZTMLSA-N 1 1 281.363 1.440 40 0 CDABMO CCCC[N@H+]1CCC[C@]2(CC(C(=O)NCCC)=NO2)C1 ZINC000585101151 342212326 /nfs/dbraw/zinc/21/23/26/342212326.db2.gz JZPWJYDCECURRH-HNNXBMFYSA-N 1 1 281.400 1.924 40 0 CDABMO CC(C)[N@@H+]1Cc2cccn2C[C@H](Oc2ncccn2)C1 ZINC000585112960 342213604 /nfs/dbraw/zinc/21/36/04/342213604.db2.gz XDQXLZWDOQMTBV-AWEZNQCLSA-N 1 1 272.352 1.950 40 0 CDABMO CCOC(=O)c1cccc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000685937369 539098957 /nfs/dbraw/zinc/09/89/57/539098957.db2.gz RFDVDIIFOZQWKO-UHFFFAOYSA-N 1 1 259.309 1.876 40 0 CDABMO CO[C@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000585276419 342256444 /nfs/dbraw/zinc/25/64/44/342256444.db2.gz OMYVCKRYKHIHJU-HNNXBMFYSA-N 1 1 294.399 1.259 40 0 CDABMO CO[C@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585276419 342256445 /nfs/dbraw/zinc/25/64/45/342256445.db2.gz OMYVCKRYKHIHJU-HNNXBMFYSA-N 1 1 294.399 1.259 40 0 CDABMO C[C@H]1CN2C[C@H](O)C[C@H]2C[N@H+]1CC1(O)CCCCCC1 ZINC000585284025 342258617 /nfs/dbraw/zinc/25/86/17/342258617.db2.gz QPLQNPPAKKSBED-SOUVJXGZSA-N 1 1 282.428 1.211 40 0 CDABMO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1CC1(O)CCCCCC1 ZINC000585284025 342258618 /nfs/dbraw/zinc/25/86/18/342258618.db2.gz QPLQNPPAKKSBED-SOUVJXGZSA-N 1 1 282.428 1.211 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1CC1(O)CCCCCC1 ZINC000585284025 342258619 /nfs/dbraw/zinc/25/86/19/342258619.db2.gz QPLQNPPAKKSBED-SOUVJXGZSA-N 1 1 282.428 1.211 40 0 CDABMO S=C(NCCC[NH+]1CCOCC1)Nc1cccnc1 ZINC000047805723 357164556 /nfs/dbraw/zinc/16/45/56/357164556.db2.gz MFHFKLHQUGRDRA-UHFFFAOYSA-N 1 1 280.397 1.090 40 0 CDABMO Cc1cc(=NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)[nH]n1C(C)C ZINC000333477937 205356867 /nfs/dbraw/zinc/35/68/67/205356867.db2.gz FFFHIEAVBDTJOH-ZDUSSCGKSA-N 1 1 293.415 1.752 40 0 CDABMO CC(C)COCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000225427019 374360774 /nfs/dbraw/zinc/36/07/74/374360774.db2.gz UMOJEDJTZYOFSW-GFCCVEGCSA-N 1 1 263.403 1.026 40 0 CDABMO CC(C)COCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000225427019 374360781 /nfs/dbraw/zinc/36/07/81/374360781.db2.gz UMOJEDJTZYOFSW-GFCCVEGCSA-N 1 1 263.403 1.026 40 0 CDABMO OCCc1cc(CC2([NH2+]Cc3cccs3)COC2)no1 ZINC000067897770 374439114 /nfs/dbraw/zinc/43/91/14/374439114.db2.gz IFESBUFXROHDPB-UHFFFAOYSA-N 1 1 294.376 1.372 40 0 biogenic,in-vitro CDABMO Cc1cc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)on1 ZINC000079311520 374789830 /nfs/dbraw/zinc/78/98/30/374789830.db2.gz HEJXPZIIVHVKDQ-OAHLLOKOSA-N 1 1 290.363 1.993 40 0 CDABMO Cc1cc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)on1 ZINC000079311520 374789836 /nfs/dbraw/zinc/78/98/36/374789836.db2.gz HEJXPZIIVHVKDQ-OAHLLOKOSA-N 1 1 290.363 1.993 40 0 CDABMO CN(C)C(=O)CN1CC[C@H]2[C@H]1CC[N@H+]2Cc1ccccc1 ZINC000306134570 374970151 /nfs/dbraw/zinc/97/01/51/374970151.db2.gz NSGIZQMXZANKPL-JKSUJKDBSA-N 1 1 287.407 1.423 40 0 CDABMO CCn1ncc(C[NH2+]Cc2cnn(C)c2C)c1F ZINC000256050055 190002988 /nfs/dbraw/zinc/00/29/88/190002988.db2.gz CLXCESPCKFBLDB-UHFFFAOYSA-N 1 1 251.309 1.374 40 0 CDABMO C[N@H+]1CCN(Cc2ccc(Cl)c(F)c2)C[C@@H](C(N)=O)C1 ZINC000257224257 190015759 /nfs/dbraw/zinc/01/57/59/190015759.db2.gz FAZDPBCITXDXLM-NSHDSACASA-N 1 1 299.777 1.328 40 0 CDABMO Cc1ccnc([C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000257247212 190019594 /nfs/dbraw/zinc/01/95/94/190019594.db2.gz IXYORPGSABNNKH-CYBMUJFWSA-N 1 1 260.385 1.669 40 0 CDABMO Cc1ccnc([C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000257247212 190019595 /nfs/dbraw/zinc/01/95/95/190019595.db2.gz IXYORPGSABNNKH-CYBMUJFWSA-N 1 1 260.385 1.669 40 0 CDABMO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc[nH]3)C[C@H]12 ZINC000257252241 190019978 /nfs/dbraw/zinc/01/99/78/190019978.db2.gz JUBQGOQKXDDBQC-VHDGCEQUSA-N 1 1 298.394 1.547 40 0 CDABMO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]cn3)C[C@H]12 ZINC000257252241 190019979 /nfs/dbraw/zinc/01/99/79/190019979.db2.gz JUBQGOQKXDDBQC-VHDGCEQUSA-N 1 1 298.394 1.547 40 0 CDABMO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]cn3)C[C@H]12 ZINC000257252241 190019980 /nfs/dbraw/zinc/01/99/80/190019980.db2.gz JUBQGOQKXDDBQC-VHDGCEQUSA-N 1 1 298.394 1.547 40 0 CDABMO Cc1cnccc1C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257292232 190027490 /nfs/dbraw/zinc/02/74/90/190027490.db2.gz QKPBJVGHGMYPJM-GJZGRUSLSA-N 1 1 262.353 1.506 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2cnn(C)c2C)C[C@@]12CCCO2 ZINC000257273527 190024653 /nfs/dbraw/zinc/02/46/53/190024653.db2.gz NGZAFPUDIQGAEU-GJZGRUSLSA-N 1 1 279.384 1.498 40 0 CDABMO Cn1cc(C[N@H+]2CCC3(CC(Nc4ccncn4)C3)C2)cn1 ZINC000257310076 190031992 /nfs/dbraw/zinc/03/19/92/190031992.db2.gz UDPDKGAYSUJCDG-UHFFFAOYSA-N 1 1 298.394 1.677 40 0 CDABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216333 390621369 /nfs/dbraw/zinc/62/13/69/390621369.db2.gz JRNKERXKHOBHML-CQSZACIVSA-N 1 1 260.385 1.648 40 0 CDABMO CN(C)C(=O)[C@@]1(C)C[N@@H+](CCc2ccccc2)CCO1 ZINC000072379286 390628162 /nfs/dbraw/zinc/62/81/62/390628162.db2.gz YWSWLULBZMRJND-MRXNPFEDSA-N 1 1 276.380 1.408 40 0 CDABMO CCc1ccc([C@H]2[C@H](S(=O)(=O)CC)[C@@]2([NH3+])COC)cc1 ZINC000218541583 391083774 /nfs/dbraw/zinc/08/37/74/391083774.db2.gz XDUKOBOFCOXIML-SOUVJXGZSA-N 1 1 297.420 1.493 40 0 CDABMO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1scnc1C ZINC000097953691 533441062 /nfs/dbraw/zinc/44/10/62/533441062.db2.gz UCOOCMIMHFUVGW-DMDPSCGWSA-N 1 1 268.382 1.830 40 0 CDABMO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1scnc1C ZINC000097953691 533441067 /nfs/dbraw/zinc/44/10/67/533441067.db2.gz UCOOCMIMHFUVGW-DMDPSCGWSA-N 1 1 268.382 1.830 40 0 CDABMO CC[N@H+]1CCC[C@@](O)(CNCc2ccccc2F)C1 ZINC000046087888 175392264 /nfs/dbraw/zinc/39/22/64/175392264.db2.gz RPSNYSMNORUSSR-OAHLLOKOSA-N 1 1 266.360 1.762 40 0 CDABMO C[C@@]1(C(N)=O)C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072379656 176386516 /nfs/dbraw/zinc/38/65/16/176386516.db2.gz GTJTWKMNYWROPY-INIZCTEOSA-N 1 1 285.347 1.311 40 0 CDABMO C[C@@]1(C(N)=O)C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072379656 176386517 /nfs/dbraw/zinc/38/65/17/176386517.db2.gz GTJTWKMNYWROPY-INIZCTEOSA-N 1 1 285.347 1.311 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2ccccc2n1 ZINC000072397682 176395213 /nfs/dbraw/zinc/39/52/13/176395213.db2.gz QQAMDUOCCFJGNN-KBRIMQKVSA-N 1 1 297.402 1.874 40 0 CDABMO CN1C(=O)c2cccn2[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131902 277022001 /nfs/dbraw/zinc/02/20/01/277022001.db2.gz KSJNQNHNZJAPAK-GJZGRUSLSA-N 1 1 282.347 1.394 40 0 CDABMO CN1C(=O)c2cccn2[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131902 277022002 /nfs/dbraw/zinc/02/20/02/277022002.db2.gz KSJNQNHNZJAPAK-GJZGRUSLSA-N 1 1 282.347 1.394 40 0 CDABMO C[C@@H]1OC(=O)[C@@H]2[C@H]1[N@H+]1CCc3ccccc3[C@@H]1C[C@@H]2O ZINC000016036788 278050893 /nfs/dbraw/zinc/05/08/93/278050893.db2.gz MPEJFJFZVUSBET-IRKCQTEASA-N 1 1 273.332 1.281 40 0 CDABMO CC1(C)CC[C@H](NC(=O)[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000236749145 278281947 /nfs/dbraw/zinc/28/19/47/278281947.db2.gz BZWHNCIKPLWJKH-LSDHHAIUSA-N 1 1 288.391 1.904 40 0 CDABMO CNc1ncc(C2=[NH+]O[C@H](C(=O)N3CCCCC3)C2)cn1 ZINC000226079876 1160425615 /nfs/dbraw/zinc/42/56/15/1160425615.db2.gz ZNDFPWDBQFYGHE-LBPRGKRZSA-N 1 1 289.339 1.024 40 0 CDABMO CCc1nnc([C@H]([NH3+])c2ccc(OC)c(OC)c2)[nH]1 ZINC000095533872 185007021 /nfs/dbraw/zinc/00/70/21/185007021.db2.gz LXFKFCJVLATGLP-GFCCVEGCSA-N 1 1 262.313 1.432 40 0 CDABMO O=C1[C@H]2C[N@@H+](CC3CC3)C[C@@H]2CN1c1ccccc1 ZINC000096053635 185074874 /nfs/dbraw/zinc/07/48/74/185074874.db2.gz NSADLTMRCYRNED-HIFRSBDPSA-N 1 1 256.349 1.991 40 0 CDABMO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccco1 ZINC000096056485 185077389 /nfs/dbraw/zinc/07/73/89/185077389.db2.gz XGBLIKRZMDZFKO-ZIAGYGMSSA-N 1 1 278.352 1.491 40 0 CDABMO C[NH+](C)C[C@H]1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2O1 ZINC000096100356 185098341 /nfs/dbraw/zinc/09/83/41/185098341.db2.gz BSSVWVQCELLZSO-YUELXQCFSA-N 1 1 261.369 1.233 40 0 CDABMO c1cncc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)c1 ZINC000096110637 185100447 /nfs/dbraw/zinc/10/04/47/185100447.db2.gz BAWMYWGYJPVUOM-IYBDPMFKSA-N 1 1 257.381 1.855 40 0 CDABMO C[N@H+]1C[C@H](CO)CC12CN(C(=O)c1ccc(Cl)cc1)C2 ZINC000585093730 342211394 /nfs/dbraw/zinc/21/13/94/342211394.db2.gz ATSHEWOGIFPEII-LLVKDONJSA-N 1 1 294.782 1.479 40 0 CDABMO COCC[N@H+]1CCC[C@@H](c2cncc(-c3cc[nH]n3)n2)C1 ZINC000585177421 342232407 /nfs/dbraw/zinc/23/24/07/342232407.db2.gz IRVCOPMRHSVGHH-GFCCVEGCSA-N 1 1 287.367 1.693 40 0 CDABMO CO[C@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000585276404 342256196 /nfs/dbraw/zinc/25/61/96/342256196.db2.gz OIZPBLMLUIUUMO-HNNXBMFYSA-N 1 1 294.399 1.259 40 0 CDABMO CO[C@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000585276404 342256197 /nfs/dbraw/zinc/25/61/97/342256197.db2.gz OIZPBLMLUIUUMO-HNNXBMFYSA-N 1 1 294.399 1.259 40 0 CDABMO CNC(=O)C[C@H]1C[N@H+](C2CCCCCC2)C[C@@H]1O ZINC000585277333 342256416 /nfs/dbraw/zinc/25/64/16/342256416.db2.gz URDPSQRVICRANI-AAEUAGOBSA-N 1 1 254.374 1.138 40 0 CDABMO COc1cccc([C@@H]2CO[C@]3(C2)C[N@@H+](C)C[C@H]3O)c1 ZINC000585291628 342259009 /nfs/dbraw/zinc/25/90/09/342259009.db2.gz QXJBRGHPOKRSBH-NWANDNLSSA-N 1 1 263.337 1.244 40 0 CDABMO O=C1[C@@H]2C[N@@H+](CC3CC3)C[C@H]2CN1c1ccccc1 ZINC000247716192 362127929 /nfs/dbraw/zinc/12/79/29/362127929.db2.gz NSADLTMRCYRNED-DZGCQCFKSA-N 1 1 256.349 1.991 40 0 CDABMO CN1CCC([N@H+]2CCOC[C@@H](Cc3ccncn3)C2)CC1 ZINC000257257525 362580918 /nfs/dbraw/zinc/58/09/18/362580918.db2.gz KQAMFQCPORNISQ-AWEZNQCLSA-N 1 1 290.411 1.062 40 0 CDABMO C[NH+]1CCC(N2CCOC[C@@H](Cc3ccncn3)C2)CC1 ZINC000257257525 362580923 /nfs/dbraw/zinc/58/09/23/362580923.db2.gz KQAMFQCPORNISQ-AWEZNQCLSA-N 1 1 290.411 1.062 40 0 CDABMO O=C(C1CC=CC1)N1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2C1 ZINC000108532142 186221617 /nfs/dbraw/zinc/22/16/17/186221617.db2.gz FQLYAAKUCLCCTF-HOTGVXAUSA-N 1 1 290.407 1.664 40 0 CDABMO O=C(C1CC=CC1)N1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2C1 ZINC000108532142 186221619 /nfs/dbraw/zinc/22/16/19/186221619.db2.gz FQLYAAKUCLCCTF-HOTGVXAUSA-N 1 1 290.407 1.664 40 0 CDABMO Cc1cc([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)[nH]n1 ZINC000328680038 202008164 /nfs/dbraw/zinc/00/81/64/202008164.db2.gz NJHJLHRCPNPNDQ-LBPRGKRZSA-N 1 1 287.367 1.780 40 0 CDABMO C[N@H+]1CCC[C@H](NC(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000019588528 356492537 /nfs/dbraw/zinc/49/25/37/356492537.db2.gz VDLFJRDBVJXOMF-INIZCTEOSA-N 1 1 298.390 1.755 40 0 CDABMO C[N@H+]1CCC[C@H](NC(=O)c2ccccc2Cn2cccn2)C1 ZINC000019588532 356492541 /nfs/dbraw/zinc/49/25/41/356492541.db2.gz DTGKKUWJBIJIJO-HNNXBMFYSA-N 1 1 298.390 1.755 40 0 CDABMO Cn1nccc1C[N@H+]1CC[C@@H](C(=O)NC2CCCC2)C1 ZINC000019747717 356499190 /nfs/dbraw/zinc/49/91/90/356499190.db2.gz IXLJBQOHRCXNJD-GFCCVEGCSA-N 1 1 276.384 1.301 40 0 CDABMO CCN(C(=O)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404184 356989849 /nfs/dbraw/zinc/98/98/49/356989849.db2.gz SLSGVCNCZMADIW-AWEZNQCLSA-N 1 1 261.369 1.068 40 0 CDABMO CCN(C(=O)CN)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404184 356989853 /nfs/dbraw/zinc/98/98/53/356989853.db2.gz SLSGVCNCZMADIW-AWEZNQCLSA-N 1 1 261.369 1.068 40 0 CDABMO C[C@@H]1CN(C(=O)OCc2ccccc2)CC[N@@H+]1CCO ZINC000079419853 356996481 /nfs/dbraw/zinc/99/64/81/356996481.db2.gz YBYSKCUWEPEPTN-CYBMUJFWSA-N 1 1 278.352 1.322 40 0 CDABMO C[C@@H]1CN(C(=O)OCc2ccccc2)CC[N@H+]1CCO ZINC000079419853 356996482 /nfs/dbraw/zinc/99/64/82/356996482.db2.gz YBYSKCUWEPEPTN-CYBMUJFWSA-N 1 1 278.352 1.322 40 0 CDABMO CSCC[C@H](C)[N@@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000072666055 358544709 /nfs/dbraw/zinc/54/47/09/358544709.db2.gz AIGZIGFVSBFLBY-AVGNSLFASA-N 1 1 288.457 1.696 40 0 CDABMO COC[C@@H]1C[N@H+](Cc2cccnc2)Cc2cnn(C)c21 ZINC000096198198 358717591 /nfs/dbraw/zinc/71/75/91/358717591.db2.gz BVYFICPEWICAAM-AWEZNQCLSA-N 1 1 272.352 1.561 40 0 CDABMO COC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2cnn(C)c21 ZINC000096198198 358717593 /nfs/dbraw/zinc/71/75/93/358717593.db2.gz BVYFICPEWICAAM-AWEZNQCLSA-N 1 1 272.352 1.561 40 0 CDABMO O=C(C[C@H]1C[C@H]2C[N@@H+](CC3CC3)C[C@H]2O1)NC1CCC1 ZINC000096214918 358721549 /nfs/dbraw/zinc/72/15/49/358721549.db2.gz UPOILMWXQUAFPJ-NWANDNLSSA-N 1 1 278.396 1.545 40 0 CDABMO CC[N@H+]1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 ZINC000096226041 358722919 /nfs/dbraw/zinc/72/29/19/358722919.db2.gz NMBPKAVAUFBHMP-CQSZACIVSA-N 1 1 274.324 1.261 40 0 CDABMO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC000096246446 358725932 /nfs/dbraw/zinc/72/59/32/358725932.db2.gz HVPGTYIJXQFTBG-KGLIPLIRSA-N 1 1 294.420 1.611 40 0 CDABMO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC000096246446 358725934 /nfs/dbraw/zinc/72/59/34/358725934.db2.gz HVPGTYIJXQFTBG-KGLIPLIRSA-N 1 1 294.420 1.611 40 0 CDABMO CC[N@H+]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@H](C1)O2 ZINC000096252590 358727544 /nfs/dbraw/zinc/72/75/44/358727544.db2.gz MOTLBUUZJOGRED-GASCZTMLSA-N 1 1 289.379 1.301 40 0 CDABMO CC[N@@H+]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@H](C1)O2 ZINC000096252590 358727548 /nfs/dbraw/zinc/72/75/48/358727548.db2.gz MOTLBUUZJOGRED-GASCZTMLSA-N 1 1 289.379 1.301 40 0 CDABMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)c1cnn(C)c1)C2 ZINC000329501534 202362866 /nfs/dbraw/zinc/36/28/66/202362866.db2.gz HQIYHBIIPLURFW-NSHDSACASA-N 1 1 273.340 1.150 40 0 CDABMO CCOC[C@]1([NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218029495 375779111 /nfs/dbraw/zinc/77/91/11/375779111.db2.gz VLLHTZMHRUKFDW-IHRRRGAJSA-N 1 1 283.393 1.321 40 0 CDABMO CN1CC[NH2+][C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000257287689 190026701 /nfs/dbraw/zinc/02/67/01/190026701.db2.gz PRCIAJKNHLSSOJ-MRXNPFEDSA-N 1 1 281.359 1.721 40 0 CDABMO OC1(C[N@H+]2CCC[C@@H](c3ccncn3)C2)CCOCC1 ZINC000257273948 190024824 /nfs/dbraw/zinc/02/48/24/190024824.db2.gz NIXGTOCSSUGAHI-CYBMUJFWSA-N 1 1 277.368 1.198 40 0 CDABMO COCC[N@H+](C)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257292610 190028101 /nfs/dbraw/zinc/02/81/01/190028101.db2.gz QMHCIZUFIWTKHH-ZDUSSCGKSA-N 1 1 265.357 1.796 40 0 CDABMO COCC[N@@H+](C)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257292610 190028102 /nfs/dbraw/zinc/02/81/02/190028102.db2.gz QMHCIZUFIWTKHH-ZDUSSCGKSA-N 1 1 265.357 1.796 40 0 CDABMO CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccncc1 ZINC000067897137 377286837 /nfs/dbraw/zinc/28/68/37/377286837.db2.gz MIQPYNUSISSINH-CABCVRRESA-N 1 1 289.379 1.149 40 0 biogenic,in-vitro CDABMO CC(=O)N1CCO[C@]2(CCC[N@@H+](Cc3ccoc3)C2)C1 ZINC000063527673 378303867 /nfs/dbraw/zinc/30/38/67/378303867.db2.gz XUWDIHJQHQLMQA-HNNXBMFYSA-N 1 1 278.352 1.493 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]1O2 ZINC000096252821 256835855 /nfs/dbraw/zinc/83/58/55/256835855.db2.gz RPVOCOKYQDFUOW-OWCLPIDISA-N 1 1 288.391 1.407 40 0 CDABMO O=c1c2c(nc3[nH]cnn31)C[N@@H+](Cc1ccccc1)CC2 ZINC000072389613 285380458 /nfs/dbraw/zinc/38/04/58/285380458.db2.gz SBCGAPHMINJHSO-UHFFFAOYSA-N 1 1 281.319 1.388 40 0 CDABMO O=c1c2c(nc3[nH]cnn31)C[N@H+](Cc1ccccc1)CC2 ZINC000072389613 285380460 /nfs/dbraw/zinc/38/04/60/285380460.db2.gz SBCGAPHMINJHSO-UHFFFAOYSA-N 1 1 281.319 1.388 40 0 CDABMO NC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004769362 170013928 /nfs/dbraw/zinc/01/39/28/170013928.db2.gz YSDMBLLTRZYVKV-NSHDSACASA-N 1 1 257.337 1.865 40 0 CDABMO C[NH+]1CCN(C(=S)NC(=O)c2ccccc2F)CC1 ZINC000020227288 171092998 /nfs/dbraw/zinc/09/29/98/171092998.db2.gz FDEPKEJMBXHMMF-UHFFFAOYSA-N 1 1 281.356 1.088 40 0 CDABMO CSc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000022585720 171392497 /nfs/dbraw/zinc/39/24/97/171392497.db2.gz WQRIGBCXUPETAJ-GFCCVEGCSA-N 1 1 293.436 1.983 40 0 CDABMO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)[nH]n2)c(C)o1 ZINC000072258616 176351261 /nfs/dbraw/zinc/35/12/61/176351261.db2.gz PKNBBPIQJFDWAC-UHFFFAOYSA-N 1 1 262.313 1.933 40 0 CDABMO O=C1NCC[NH2+][C@H]1Cc1ccccc1-c1ccncc1 ZINC000072351328 176374444 /nfs/dbraw/zinc/37/44/44/176374444.db2.gz UFDZSXVJQLWSRI-HNNXBMFYSA-N 1 1 267.332 1.379 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@](C)(c3cc[nH]n3)C2)cn1 ZINC000072364284 176378849 /nfs/dbraw/zinc/37/88/49/176378849.db2.gz JYTCRLPQZJNMRE-AWEZNQCLSA-N 1 1 259.357 1.697 40 0 CDABMO CNC(=O)[C@@H]1C[N@H+](C(C)C)CCN1Cc1ccccc1 ZINC000072367727 176382265 /nfs/dbraw/zinc/38/22/65/176382265.db2.gz ZLGDQZYGPPOKDH-HNNXBMFYSA-N 1 1 275.396 1.327 40 0 CDABMO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072369724 176383877 /nfs/dbraw/zinc/38/38/77/176383877.db2.gz DJBQCHLLMLJBCP-AWEZNQCLSA-N 1 1 271.368 1.816 40 0 CDABMO COC[C@H]1CN(C(C)=O)CC[N@@H+](Cc2cccnc2)C1 ZINC000072343690 277254440 /nfs/dbraw/zinc/25/44/40/277254440.db2.gz NWDDOVJCBCFEEW-OAHLLOKOSA-N 1 1 277.368 1.008 40 0 CDABMO CN(C)Cc1cc([C@@H]2CCCN2C(=O)CC[NH3+])ccn1 ZINC000257305080 289223320 /nfs/dbraw/zinc/22/33/20/289223320.db2.gz SOJFNVCDGNISIX-AWEZNQCLSA-N 1 1 276.384 1.156 40 0 CDABMO COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2N)cc1OC ZINC000218871293 333137677 /nfs/dbraw/zinc/13/76/77/333137677.db2.gz FNVWYGBIEXEYCD-STQMWFEESA-N 1 1 264.369 1.716 40 0 CDABMO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3CC2CC2)n1 ZINC000096055768 185076577 /nfs/dbraw/zinc/07/65/77/185076577.db2.gz CZWLVAICGIJEEN-JKSUJKDBSA-N 1 1 285.391 1.975 40 0 CDABMO CN(C)C(=O)N1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC000096059417 185080459 /nfs/dbraw/zinc/08/04/59/185080459.db2.gz GYMJPYSTHAFNGJ-UHFFFAOYSA-N 1 1 291.399 1.366 40 0 CDABMO Cn1nnc2c1[C@@H](COCC1CC1)C[N@@H+](CC1CC1)C2 ZINC000096060720 185082568 /nfs/dbraw/zinc/08/25/68/185082568.db2.gz BJCIWIXYGGYKOH-CYBMUJFWSA-N 1 1 276.384 1.551 40 0 CDABMO Cn1cccc1CN1CC[N@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000096063756 185083552 /nfs/dbraw/zinc/08/35/52/185083552.db2.gz QBTWMPVNQDDWLQ-DLBZAZTESA-N 1 1 289.423 1.710 40 0 CDABMO COCC[N@H+]1CCC[C@@]2(CCC(=O)N2CCF)CC1 ZINC000585100535 342212025 /nfs/dbraw/zinc/21/20/25/342212025.db2.gz MVJSCDIGRWCRIL-CQSZACIVSA-N 1 1 272.364 1.449 40 0 CDABMO C[NH+](C)[C@@]1([C@@H](CN)CO)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000072210464 342272747 /nfs/dbraw/zinc/27/27/47/342272747.db2.gz SYVBJXKIQQWHLO-NZBPQXDJSA-N 1 1 254.418 1.700 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3c2cccnc2)cn1 ZINC000106802902 186136414 /nfs/dbraw/zinc/13/64/14/186136414.db2.gz QDPYELNYEWRDNG-CABCVRRESA-N 1 1 297.362 1.195 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3c2cccnc2)cn1 ZINC000106802902 186136416 /nfs/dbraw/zinc/13/64/16/186136416.db2.gz QDPYELNYEWRDNG-CABCVRRESA-N 1 1 297.362 1.195 40 0 CDABMO C[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000062033738 362977767 /nfs/dbraw/zinc/97/77/67/362977767.db2.gz UMZOBOVYNRCVPO-BXKDBHETSA-N 1 1 268.357 1.535 40 0 CDABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C)ncc2C1 ZINC000019501628 356487826 /nfs/dbraw/zinc/48/78/26/356487826.db2.gz RHDVCCUKFYHKID-AWEZNQCLSA-N 1 1 288.395 1.928 40 0 CDABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C)ncc2C1 ZINC000019501628 356487833 /nfs/dbraw/zinc/48/78/33/356487833.db2.gz RHDVCCUKFYHKID-AWEZNQCLSA-N 1 1 288.395 1.928 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)c1c2c(nn1C)CCCC2 ZINC000019656541 356494243 /nfs/dbraw/zinc/49/42/43/356494243.db2.gz FSYCJVOSUGSPCH-UHFFFAOYSA-N 1 1 287.367 1.234 40 0 CDABMO CN(C(=O)OCc1ccccc1)[C@H]1CCC[N@@H+](CCO)C1 ZINC000079410960 356993107 /nfs/dbraw/zinc/99/31/07/356993107.db2.gz DOHVETKXYNZRRL-HNNXBMFYSA-N 1 1 292.379 1.712 40 0 CDABMO OCC[N@H+]1CC[C@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079414370 356993193 /nfs/dbraw/zinc/99/31/93/356993193.db2.gz SEASINYHCZQPHH-INIZCTEOSA-N 1 1 274.408 1.965 40 0 CDABMO OCC[NH+]1CC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414370 356993197 /nfs/dbraw/zinc/99/31/97/356993197.db2.gz SEASINYHCZQPHH-INIZCTEOSA-N 1 1 274.408 1.965 40 0 CDABMO O=C(NC[C@@H]1CC[N@H+](CCO)C1)OCc1ccccc1 ZINC000079410867 356993881 /nfs/dbraw/zinc/99/38/81/356993881.db2.gz QDJUYSXULYHLRU-AWEZNQCLSA-N 1 1 278.352 1.227 40 0 CDABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccnc2)C1 ZINC000046967435 357151127 /nfs/dbraw/zinc/15/11/27/357151127.db2.gz ROMNNZSYXKYKQS-CYBMUJFWSA-N 1 1 261.369 1.933 40 0 CDABMO c1ccc(CN2C[C@@H]3C[N@@H+]([C@@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161620 358711014 /nfs/dbraw/zinc/71/10/14/358711014.db2.gz VLCATNIEXPNVJW-IJEWVQPXSA-N 1 1 273.380 1.234 40 0 CDABMO c1ccc(CN2C[C@@H]3C[N@@H+]([C@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161622 358711381 /nfs/dbraw/zinc/71/13/81/358711381.db2.gz VLCATNIEXPNVJW-LZWOXQAQSA-N 1 1 273.380 1.234 40 0 CDABMO COCC[N@H+]1CCC[C@@]12CCCN(c1nncs1)C2 ZINC000096203234 358719232 /nfs/dbraw/zinc/71/92/32/358719232.db2.gz VLCBRYUHASKOTF-CYBMUJFWSA-N 1 1 282.413 1.619 40 0 CDABMO C[N@H+]1CC[C@H]2[C@@H](CC(=O)NCc3cccs3)OC[C@H]2C1 ZINC000096209094 358720266 /nfs/dbraw/zinc/72/02/66/358720266.db2.gz CTDPNSCLRYVHQP-MRVWCRGKSA-N 1 1 294.420 1.721 40 0 CDABMO CC(C)[N@H+]1C[C@@H]2C[C@@H](CC(=O)N3CCCCO3)O[C@@H]2C1 ZINC000096219395 358722183 /nfs/dbraw/zinc/72/21/83/358722183.db2.gz MJSRLBXJNKYAIU-MELADBBJSA-N 1 1 282.384 1.428 40 0 CDABMO Cn1cc(N2CC[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2=O)cn1 ZINC000096249146 358726901 /nfs/dbraw/zinc/72/69/01/358726901.db2.gz HVSBAXWWJADGDR-OCCSQVGLSA-N 1 1 274.368 1.115 40 0 CDABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)C(=O)N1C ZINC000096261590 358729557 /nfs/dbraw/zinc/72/95/57/358729557.db2.gz OOUGIUPWPVBXFL-DVOMOZLQSA-N 1 1 275.396 1.758 40 0 CDABMO COCC[N@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000075927062 366927812 /nfs/dbraw/zinc/92/78/12/366927812.db2.gz ASLVMIDLLVDEDE-VIFPVBQESA-N 1 1 268.279 1.023 40 0 CDABMO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@H]1COCC[NH2+]1 ZINC000225488850 374496300 /nfs/dbraw/zinc/49/63/00/374496300.db2.gz FXXUPBAXIYYWAM-VHDGCEQUSA-N 1 1 274.364 1.379 40 0 CDABMO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3cc(C)on3)C2)C1 ZINC000306130129 374967483 /nfs/dbraw/zinc/96/74/83/374967483.db2.gz IWXQOHSDCYMMHF-GFCCVEGCSA-N 1 1 293.367 1.166 40 0 CDABMO COC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)c3cc(C)on3)C2)C1 ZINC000306130129 374967489 /nfs/dbraw/zinc/96/74/89/374967489.db2.gz IWXQOHSDCYMMHF-GFCCVEGCSA-N 1 1 293.367 1.166 40 0 CDABMO COC(C[N@H+]1CCC[C@@H]1c1cnn(C)c1C)OC ZINC000162171718 375289162 /nfs/dbraw/zinc/28/91/62/375289162.db2.gz WTOVRXXFIRGPHY-GFCCVEGCSA-N 1 1 253.346 1.484 40 0 CDABMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)cn2)CC1 ZINC000226849040 375402894 /nfs/dbraw/zinc/40/28/94/375402894.db2.gz RPYOUOCMCRCLTD-UHFFFAOYSA-N 1 1 284.363 1.650 40 0 CDABMO C[C@]12CCCC[N@@H+](Cc3cnccn3)[C@H]1CCCC(=O)N2 ZINC000257201270 190010561 /nfs/dbraw/zinc/01/05/61/190010561.db2.gz AGYYSVBRQKMDID-HOCLYGCPSA-N 1 1 288.395 1.890 40 0 CDABMO CC(C)C[N@H+]1CCC[C@@H](Cc2cc(C(N)=O)ncn2)CC1 ZINC000257214526 190013297 /nfs/dbraw/zinc/01/32/97/190013297.db2.gz CMIOWPLMHKAPIC-CYBMUJFWSA-N 1 1 290.411 1.876 40 0 CDABMO Cc1cncc(C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000257233343 190017026 /nfs/dbraw/zinc/01/70/26/190017026.db2.gz GOWSCXNVXIPUEY-OAHLLOKOSA-N 1 1 288.395 1.585 40 0 CDABMO Cc1cc(CN2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)no1 ZINC000257239293 190017703 /nfs/dbraw/zinc/01/77/03/190017703.db2.gz HORNXZIOVPMSCX-OAHLLOKOSA-N 1 1 288.351 1.842 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000257244171 190019077 /nfs/dbraw/zinc/01/90/77/190019077.db2.gz IKEYGMKAMNFZNJ-CYBMUJFWSA-N 1 1 273.340 1.668 40 0 CDABMO COCC(=O)N1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257265466 190023085 /nfs/dbraw/zinc/02/30/85/190023085.db2.gz LYTTTYXPILTZCA-ZDUSSCGKSA-N 1 1 292.383 1.157 40 0 CDABMO Cc1cc(C[C@@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)n[nH]1 ZINC000191360060 378025277 /nfs/dbraw/zinc/02/52/77/378025277.db2.gz XWIPBEPZLWXVSQ-SNVBAGLBSA-N 1 1 276.388 1.785 40 0 CDABMO O=S(=O)(c1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173526967 378532585 /nfs/dbraw/zinc/53/25/85/378532585.db2.gz PXBAJCKECIGPDK-CYBMUJFWSA-N 1 1 278.377 1.321 40 0 CDABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccco2)cc1 ZINC000072227153 256703622 /nfs/dbraw/zinc/70/36/22/256703622.db2.gz GVWWAZLCGMHVFR-OLZOCXBDSA-N 1 1 258.277 1.703 40 0 CDABMO COc1ccc(CN2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000096531572 390541651 /nfs/dbraw/zinc/54/16/51/390541651.db2.gz WYDYLQCSMMRNEF-UHFFFAOYSA-N 1 1 276.380 1.650 40 0 CDABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2Cc2ccccc2)o1 ZINC000072228140 390626948 /nfs/dbraw/zinc/62/69/48/390626948.db2.gz HZLPTKYQSRNJBZ-ZIAGYGMSSA-N 1 1 256.305 1.999 40 0 CDABMO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@]2([NH3+])COC)cc1 ZINC000218541661 391083756 /nfs/dbraw/zinc/08/37/56/391083756.db2.gz XDUKOBOFCOXIML-RBSFLKMASA-N 1 1 297.420 1.493 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1ccccc1 ZINC000242688227 391589515 /nfs/dbraw/zinc/58/95/15/391589515.db2.gz VLLHTZMHRUKFDW-MCIONIFRSA-N 1 1 283.393 1.321 40 0 CDABMO COCC[N@H+]1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC000306124401 392106393 /nfs/dbraw/zinc/10/63/93/392106393.db2.gz BOTQCHMKWAFTCY-NEPJUHHUSA-N 1 1 281.381 1.078 40 0 CDABMO COc1ccc(C(=S)N2CC[NH+](C)CC2)cc1OC ZINC000009188324 170365894 /nfs/dbraw/zinc/36/58/94/170365894.db2.gz TXSVQEIFWXLJOI-UHFFFAOYSA-N 1 1 280.393 1.627 40 0 CDABMO CC[NH+](CC)CCNC[C@@H](O)Cc1ccc(OC)cc1 ZINC000022871008 171401980 /nfs/dbraw/zinc/40/19/80/171401980.db2.gz SIJLJNRZMXWXRM-HNNXBMFYSA-N 1 1 280.412 1.530 40 0 CDABMO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072350493 176373461 /nfs/dbraw/zinc/37/34/61/176373461.db2.gz LSABXAMZAKMHLN-GFCCVEGCSA-N 1 1 257.341 1.780 40 0 CDABMO CNc1ccc(C[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nn1 ZINC000072356671 176376116 /nfs/dbraw/zinc/37/61/16/176376116.db2.gz LLRLHHUXSRSINL-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1ccc(C[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nn1 ZINC000072356671 176376118 /nfs/dbraw/zinc/37/61/18/176376118.db2.gz LLRLHHUXSRSINL-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO C[N@H+]1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377394 176385785 /nfs/dbraw/zinc/38/57/85/176385785.db2.gz PLTQPIJFWJYSAI-NSHDSACASA-N 1 1 270.340 1.819 40 0 CDABMO CSCC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cnn(C)c1 ZINC000072398432 176396620 /nfs/dbraw/zinc/39/66/20/176396620.db2.gz RNARPGAFBMOIKB-LSDHHAIUSA-N 1 1 294.468 1.822 40 0 CDABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000082336481 277073070 /nfs/dbraw/zinc/07/30/70/277073070.db2.gz HBGUELWGTQNRHG-NSHDSACASA-N 1 1 276.336 1.738 40 0 CDABMO COc1cccc([C@H]([NH3+])c2nc(-c3cnccn3)n[nH]2)c1 ZINC000095533540 185006299 /nfs/dbraw/zinc/00/62/99/185006299.db2.gz BNVAOVGYAPAKPC-LBPRGKRZSA-N 1 1 282.307 1.318 40 0 CDABMO C[N@H+]1CCC[C@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049061 185072398 /nfs/dbraw/zinc/07/23/98/185072398.db2.gz QYYDLRCTHQLXTR-CQSZACIVSA-N 1 1 250.342 1.576 40 0 CDABMO CC(C)N1CCO[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000096054273 185075999 /nfs/dbraw/zinc/07/59/99/185075999.db2.gz UJUFIJLNYNTWSO-KGLIPLIRSA-N 1 1 250.342 1.573 40 0 CDABMO CC(C)N1CCO[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000096054273 185076000 /nfs/dbraw/zinc/07/60/00/185076000.db2.gz UJUFIJLNYNTWSO-KGLIPLIRSA-N 1 1 250.342 1.573 40 0 CDABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(C)C)cc1 ZINC000096054280 185076492 /nfs/dbraw/zinc/07/64/92/185076492.db2.gz HYBXIXPQBOMGOS-SJORKVTESA-N 1 1 290.407 1.989 40 0 CDABMO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C(C)C)cc1 ZINC000096054280 185076495 /nfs/dbraw/zinc/07/64/95/185076495.db2.gz HYBXIXPQBOMGOS-SJORKVTESA-N 1 1 290.407 1.989 40 0 CDABMO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C(C)C)cc1 ZINC000096054280 185076496 /nfs/dbraw/zinc/07/64/96/185076496.db2.gz HYBXIXPQBOMGOS-SJORKVTESA-N 1 1 290.407 1.989 40 0 CDABMO Fc1cnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1 ZINC000096070891 185086682 /nfs/dbraw/zinc/08/66/82/185086682.db2.gz HUCJIGDKYWXBOM-UHFFFAOYSA-N 1 1 262.332 1.538 40 0 CDABMO COCCC(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096100049 185097983 /nfs/dbraw/zinc/09/79/83/185097983.db2.gz DYWNHRKMIVAIBL-GASCZTMLSA-N 1 1 289.379 1.008 40 0 CDABMO Cc1nc(CN2CCO[C@H]3C[N@@H+](C)CC[C@H]3C2=O)cs1 ZINC000096107105 185099185 /nfs/dbraw/zinc/09/91/85/185099185.db2.gz AGBBTUGJKRDIIK-OLZOCXBDSA-N 1 1 295.408 1.131 40 0 CDABMO C[C@H]1c2ncc(COCC(=O)N3CCCC3)n2CC[N@@H+]1C ZINC000096109815 185100185 /nfs/dbraw/zinc/10/01/85/185100185.db2.gz OWKBJCIEDUOZQE-LBPRGKRZSA-N 1 1 292.383 1.029 40 0 CDABMO CNC(=O)C[C@@H]1C[N@@H+](CC2CCCC2)Cc2ccnn21 ZINC000585112115 342213368 /nfs/dbraw/zinc/21/33/68/342213368.db2.gz LOCLQGDQFIVLDR-CQSZACIVSA-N 1 1 276.384 1.566 40 0 CDABMO CCCC[N@H+]1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585295421 342260760 /nfs/dbraw/zinc/26/07/60/342260760.db2.gz YVXXGJSTFYUPBN-BZUAXINKSA-N 1 1 263.381 1.916 40 0 CDABMO O[C@@]1(COc2ccc(F)cc2)COCC[N@H+](C2CCC2)C1 ZINC000585284071 342258609 /nfs/dbraw/zinc/25/86/09/342258609.db2.gz UQASGQMKJPAYPA-MRXNPFEDSA-N 1 1 295.354 1.820 40 0 CDABMO C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@H](CO)C1 ZINC000221363674 342301843 /nfs/dbraw/zinc/30/18/43/342301843.db2.gz KCTJGCIJPLHBAV-DOMZBBRYSA-N 1 1 267.344 1.840 40 0 CDABMO CN(C)c1nc(NCCCN2CCCCCC2=O)cc[nH+]1 ZINC000077187484 350664006 /nfs/dbraw/zinc/66/40/06/350664006.db2.gz VKZCKMZKTLZMBN-UHFFFAOYSA-N 1 1 291.399 1.747 40 0 CDABMO CO[C@H](C)c1cccc(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000157700229 188333787 /nfs/dbraw/zinc/33/37/87/188333787.db2.gz WZWAKYOGBOKTJC-SKDRFNHKSA-N 1 1 266.366 1.995 40 0 CDABMO C[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000020098532 356524581 /nfs/dbraw/zinc/52/45/81/356524581.db2.gz CNMNUQSFECXAJE-LBPRGKRZSA-N 1 1 278.404 1.487 40 0 CDABMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000079407834 356991195 /nfs/dbraw/zinc/99/11/95/356991195.db2.gz YKHCEYSZRUBHOJ-NSHDSACASA-N 1 1 258.362 1.358 40 0 CDABMO COc1ccc(CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000027931970 357277978 /nfs/dbraw/zinc/27/79/78/357277978.db2.gz RDIRRJSJANXWES-CQSZACIVSA-N 1 1 274.364 1.544 40 0 CDABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](C)C[C@@H]2CCCO[C@H]12 ZINC000096040675 358706200 /nfs/dbraw/zinc/70/62/00/358706200.db2.gz URRCVSPRSFPYPJ-CFVMTHIKSA-N 1 1 264.369 1.821 40 0 CDABMO CC(=O)N1CCOC[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096202183 358719529 /nfs/dbraw/zinc/71/95/29/358719529.db2.gz OEENMNRZLVWGHZ-HNNXBMFYSA-N 1 1 294.420 1.819 40 0 CDABMO COC[C@H]1CCC2(CCN(C(=O)C3CCC3)CC2)[N@H+]1C ZINC000096209337 358721005 /nfs/dbraw/zinc/72/10/05/358721005.db2.gz KJCVVQYWHGJUIR-CQSZACIVSA-N 1 1 280.412 1.888 40 0 CDABMO COCC[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096216952 358721250 /nfs/dbraw/zinc/72/12/50/358721250.db2.gz UNWKOQNBHYOHEU-HNNXBMFYSA-N 1 1 276.384 1.415 40 0 CDABMO CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096225426 358722893 /nfs/dbraw/zinc/72/28/93/358722893.db2.gz SZNRASBBMYXIQC-OAHLLOKOSA-N 1 1 273.336 1.153 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]1O2 ZINC000096252738 358728056 /nfs/dbraw/zinc/72/80/56/358728056.db2.gz HBZNOVAEYMEHRM-HZSPNIEDSA-N 1 1 260.337 1.022 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]1O2 ZINC000096252738 358728059 /nfs/dbraw/zinc/72/80/59/358728059.db2.gz HBZNOVAEYMEHRM-HZSPNIEDSA-N 1 1 260.337 1.022 40 0 CDABMO CCN(C)c1ncnc2c1CC[N@H+](C1CCOCC1)CC2 ZINC000096255813 358728778 /nfs/dbraw/zinc/72/87/78/358728778.db2.gz BMQGAHPWNLVESL-UHFFFAOYSA-N 1 1 290.411 1.512 40 0 CDABMO O=C([C@H]1CCCC[N@H+]1C[C@@H]1CO1)N1CCCCC1 ZINC000095097825 366523251 /nfs/dbraw/zinc/52/32/51/366523251.db2.gz WVWZEJFUJALBRB-CHWSQXEVSA-N 1 1 252.358 1.252 40 0 CDABMO CCC[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000019501843 283579473 /nfs/dbraw/zinc/57/94/73/283579473.db2.gz DRUYGFVEMYZHND-LBPRGKRZSA-N 1 1 280.420 1.517 40 0 CDABMO Cc1cc(O)c2n(cn[n+]2Cc2c(F)cccc2Cl)n1 ZINC000408977758 363776349 /nfs/dbraw/zinc/77/63/49/363776349.db2.gz XJMSWEWUWVXAEY-UHFFFAOYSA-O 1 1 293.709 1.459 40 0 CDABMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccccc2)CC1 ZINC000012444462 361482481 /nfs/dbraw/zinc/48/24/81/361482481.db2.gz YOHDAYYVIJPRTD-UHFFFAOYSA-N 1 1 270.336 1.383 40 0 CDABMO Cc1cc[nH+]c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000286540073 368876681 /nfs/dbraw/zinc/87/66/81/368876681.db2.gz ITNPPAZLPXPDCL-ZDUSSCGKSA-N 1 1 297.424 1.498 40 0 CDABMO Cc1ccnc(N2CC[NH+](CCOCC(F)F)CC2)c1 ZINC000225546796 375162635 /nfs/dbraw/zinc/16/26/35/375162635.db2.gz BRSAMHPJZYCINY-UHFFFAOYSA-N 1 1 285.338 1.794 40 0 CDABMO O=c1c2ccccc2nc(C[NH2+]CCO)n1-c1ccccc1 ZINC000003204378 375585860 /nfs/dbraw/zinc/58/58/60/375585860.db2.gz YSYLTWMASWXQJZ-UHFFFAOYSA-N 1 1 295.342 1.468 40 0 CDABMO c1cc(Nc2ccc(N3CC[NH2+]CC3)nn2)ccn1 ZINC000217505441 375660860 /nfs/dbraw/zinc/66/08/60/375660860.db2.gz ZXAUARAEFYSXGM-UHFFFAOYSA-N 1 1 256.313 1.025 40 0 CDABMO CO[C@H]1C[N@H+](Cc2nccs2)CC[C@@]12CCCO2 ZINC000257282597 190026444 /nfs/dbraw/zinc/02/64/44/190026444.db2.gz OUKUHUUQOFQUMH-AAEUAGOBSA-N 1 1 268.382 1.913 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2nccs2)CC[C@@]12CCCO2 ZINC000257282597 190026445 /nfs/dbraw/zinc/02/64/45/190026445.db2.gz OUKUHUUQOFQUMH-AAEUAGOBSA-N 1 1 268.382 1.913 40 0 CDABMO Cc1nc(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NC3CC3)C2)cs1 ZINC000096227595 256828638 /nfs/dbraw/zinc/82/86/38/256828638.db2.gz GGTZWWIWQJDTQZ-UKRRQHHQSA-N 1 1 291.420 1.942 40 0 CDABMO Cc1nc(C[N@H+]2CC[C@@]3(C[C@@H]3C(=O)NC3CC3)C2)cs1 ZINC000096227595 256828641 /nfs/dbraw/zinc/82/86/41/256828641.db2.gz GGTZWWIWQJDTQZ-UKRRQHHQSA-N 1 1 291.420 1.942 40 0 CDABMO CN1CCN(c2ncccc2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000072216567 390622232 /nfs/dbraw/zinc/62/22/32/390622232.db2.gz ZCJMLWJMUMLCHN-AWEZNQCLSA-N 1 1 260.385 1.600 40 0 CDABMO CN1CCN(c2ncccc2[C@@H]2CCC[N@H+]2C)CC1 ZINC000072216567 390622235 /nfs/dbraw/zinc/62/22/35/390622235.db2.gz ZCJMLWJMUMLCHN-AWEZNQCLSA-N 1 1 260.385 1.600 40 0 CDABMO CNc1ncc(C[NH2+]Cc2ccccc2OC)cn1 ZINC000062717482 392803781 /nfs/dbraw/zinc/80/37/81/392803781.db2.gz IZVLMFUQEGBBBL-UHFFFAOYSA-N 1 1 258.325 1.817 40 0 CDABMO O=C1CCC(=O)N1OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005382577 170092323 /nfs/dbraw/zinc/09/23/23/170092323.db2.gz GUWLFGRHKJHZOJ-RYUDHWBXSA-N 1 1 266.341 1.332 40 0 CDABMO Nc1nc(N)c2c([nH+]1)CN(Cc1ccc(Cl)cc1)C2 ZINC000006512342 170208611 /nfs/dbraw/zinc/20/86/11/170208611.db2.gz FWDLDEOZIJEUGE-UHFFFAOYSA-N 1 1 275.743 1.810 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000072347451 176373281 /nfs/dbraw/zinc/37/32/81/176373281.db2.gz RARILZQGVSJULE-UHFFFAOYSA-N 1 1 273.311 1.776 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000072347451 176373282 /nfs/dbraw/zinc/37/32/82/176373282.db2.gz RARILZQGVSJULE-UHFFFAOYSA-N 1 1 273.311 1.776 40 0 CDABMO NC(=O)C[N@H+]1CC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000072367886 176382694 /nfs/dbraw/zinc/38/26/94/176382694.db2.gz CJNWREWJJNPTSL-ZDUSSCGKSA-N 1 1 269.348 1.585 40 0 CDABMO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@@H+](CCO)C1 ZINC000079408207 278377437 /nfs/dbraw/zinc/37/74/37/278377437.db2.gz ZIAOAZWYGPMUNF-ZDUSSCGKSA-N 1 1 284.400 1.843 40 0 CDABMO [NH3+]CC(=O)c1ccc(Br)c(F)c1F ZINC000098211081 295218340 /nfs/dbraw/zinc/21/83/40/295218340.db2.gz DHKCFFKEONJHQC-UHFFFAOYSA-N 1 1 250.042 1.869 40 0 CDABMO C[NH+]1CCN(C(=O)c2cccc3c2NCCC3)CC1 ZINC000050957537 523882983 /nfs/dbraw/zinc/88/29/83/523882983.db2.gz TUQXYNBKKVTJGW-UHFFFAOYSA-N 1 1 259.353 1.432 40 0 CDABMO Cn1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000930079848 728519952 /nfs/dbraw/zinc/51/99/52/728519952.db2.gz XOEZYQHVBBFZMY-LBPRGKRZSA-N 1 1 277.372 1.559 40 0 CDABMO CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096047494 185072698 /nfs/dbraw/zinc/07/26/98/185072698.db2.gz UFVTZYFUKDRUAI-MRXNPFEDSA-N 1 1 290.411 1.787 40 0 CDABMO O=C([C@@H]1CCO[C@@H]2CC[N@@H+](CC3CC3)C[C@H]21)N1CCCO1 ZINC000096058306 185078565 /nfs/dbraw/zinc/07/85/65/185078565.db2.gz DIDMPLSVJVIVRX-QLFBSQMISA-N 1 1 294.395 1.287 40 0 CDABMO COC[C@@H]1C[N@H+](Cc2cccnc2)Cc2cn(C)nc21 ZINC000096059816 185079984 /nfs/dbraw/zinc/07/99/84/185079984.db2.gz JFLLTZFBAMEODP-AWEZNQCLSA-N 1 1 272.352 1.561 40 0 CDABMO COC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2cn(C)nc21 ZINC000096059816 185079985 /nfs/dbraw/zinc/07/99/85/185079985.db2.gz JFLLTZFBAMEODP-AWEZNQCLSA-N 1 1 272.352 1.561 40 0 CDABMO COc1cc(C(=O)C[NH3+])c(OC)cc1Br ZINC000083255737 178371389 /nfs/dbraw/zinc/37/13/89/178371389.db2.gz HFYJGAIOBIDRPX-UHFFFAOYSA-N 1 1 274.114 1.608 40 0 in-vitro CDABMO c1cc2n(n1)CC[C@@H](COc1ncccn1)[N@H+](CC1CC1)C2 ZINC000585096915 342211787 /nfs/dbraw/zinc/21/17/87/342211787.db2.gz FNSBCWPPVVGCMB-HNNXBMFYSA-N 1 1 299.378 1.736 40 0 CDABMO CO[C@@H]1CSC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000247838092 362133713 /nfs/dbraw/zinc/13/37/13/362133713.db2.gz JUOCJKTWVXJCRC-LBPRGKRZSA-N 1 1 250.367 1.788 40 0 CDABMO COC[C@H]1CC[N@@H+](C)C2(CN(Cc3ccccn3)C2)C1 ZINC000248126662 362152695 /nfs/dbraw/zinc/15/26/95/362152695.db2.gz LXWFBLRBMKNSSY-AWEZNQCLSA-N 1 1 275.396 1.624 40 0 CDABMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)NC2)N1CCCCCC1 ZINC000004984452 356047420 /nfs/dbraw/zinc/04/74/20/356047420.db2.gz SNAABOBWFZLWGZ-UONOGXRCSA-N 1 1 293.411 1.132 40 0 CDABMO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(=O)NC2)N1CCCCCC1 ZINC000004984452 356047423 /nfs/dbraw/zinc/04/74/23/356047423.db2.gz SNAABOBWFZLWGZ-UONOGXRCSA-N 1 1 293.411 1.132 40 0 CDABMO CC[NH+](CC)CCNC[C@H](O)Cc1ccc(OC)cc1 ZINC000019366061 356482909 /nfs/dbraw/zinc/48/29/09/356482909.db2.gz SIJLJNRZMXWXRM-OAHLLOKOSA-N 1 1 280.412 1.530 40 0 CDABMO CCN(C[C@@H]1CC[N@@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407981 356990826 /nfs/dbraw/zinc/99/08/26/356990826.db2.gz DZHDEVWNQKHCEV-GFCCVEGCSA-N 1 1 272.389 1.558 40 0 CDABMO CC[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079416081 356995170 /nfs/dbraw/zinc/99/51/70/356995170.db2.gz QRRIBLGLNWNCID-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO CC[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000079416081 356995174 /nfs/dbraw/zinc/99/51/74/356995174.db2.gz QRRIBLGLNWNCID-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO CC[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000079416081 356995177 /nfs/dbraw/zinc/99/51/77/356995177.db2.gz QRRIBLGLNWNCID-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO O=C(COc1ccccc1F)NCCC[NH+]1CCOCC1 ZINC000047465720 357158087 /nfs/dbraw/zinc/15/80/87/357158087.db2.gz IGNYZTISBLGGNO-UHFFFAOYSA-N 1 1 296.342 1.043 40 0 CDABMO C[N@H+](C[C@H]1CCCCO1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000084093068 357115958 /nfs/dbraw/zinc/11/59/58/357115958.db2.gz SGQPAUNMPHTOCQ-UPJWGTAASA-N 1 1 275.414 1.453 40 0 CDABMO C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000084093068 357115962 /nfs/dbraw/zinc/11/59/62/357115962.db2.gz SGQPAUNMPHTOCQ-UPJWGTAASA-N 1 1 275.414 1.453 40 0 CDABMO CCc1nn2c(nc(C[NH+]3CCCCC3)cc2=O)s1 ZINC000015731831 357946884 /nfs/dbraw/zinc/94/68/84/357946884.db2.gz ZGMFFWBQERXZQK-UHFFFAOYSA-N 1 1 278.381 1.699 40 0 CDABMO CC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C)CC1 ZINC000019500590 358097371 /nfs/dbraw/zinc/09/73/71/358097371.db2.gz LOAZPRIAAGVZHG-ZDUSSCGKSA-N 1 1 278.404 1.487 40 0 CDABMO c1coc(C[N@@H+]2CCc3ncc(Cn4cncn4)n3CC2)c1 ZINC000096196979 358715852 /nfs/dbraw/zinc/71/58/52/358715852.db2.gz ZDFONVFMDINQLC-UHFFFAOYSA-N 1 1 298.350 1.174 40 0 CDABMO CC(C)C[N@H+]1CCC[C@]12CCN(C(=O)c1cnccn1)C2 ZINC000096203045 358718798 /nfs/dbraw/zinc/71/87/98/358718798.db2.gz RYSJTUAUVRHMLJ-MRXNPFEDSA-N 1 1 288.395 1.813 40 0 CDABMO C[N@H+]1C[C@@H]2C[C@@H](CC(=O)NCc3cccs3)O[C@@H]2C1 ZINC000096215383 358721431 /nfs/dbraw/zinc/72/14/31/358721431.db2.gz HSMXHGFHKCTNMU-GMXVVIOVSA-N 1 1 280.393 1.474 40 0 CDABMO OCC[N@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC000096239819 358724890 /nfs/dbraw/zinc/72/48/90/358724890.db2.gz YEVCYWIWILAQDQ-CYBMUJFWSA-N 1 1 298.337 1.006 40 0 CDABMO COc1ncnc2c1CC[N@@H+](Cc1ccoc1)CC2 ZINC000096255556 358728879 /nfs/dbraw/zinc/72/88/79/358728879.db2.gz XNLCVNPFICMGBJ-UHFFFAOYSA-N 1 1 259.309 1.679 40 0 CDABMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](C)Cc1ccccc1 ZINC000132311612 361220629 /nfs/dbraw/zinc/22/06/29/361220629.db2.gz KKEDREBDTMFYQW-CFVMTHIKSA-N 1 1 277.364 1.473 40 0 CDABMO CCOC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134884207 361661724 /nfs/dbraw/zinc/66/17/24/361661724.db2.gz ADKWJLPWNCWVKV-HIFRSBDPSA-N 1 1 280.412 1.888 40 0 CDABMO CCOC(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134884207 361661730 /nfs/dbraw/zinc/66/17/30/361661730.db2.gz ADKWJLPWNCWVKV-HIFRSBDPSA-N 1 1 280.412 1.888 40 0 CDABMO CS(=O)(=O)CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107902 366983934 /nfs/dbraw/zinc/98/39/34/366983934.db2.gz UHLAUJUTUFGHET-GJZGRUSLSA-N 1 1 297.420 1.619 40 0 CDABMO CN1c2cccnc2C[N@@H+](Cc2ccoc2)CC[C@H]1CO ZINC000225497520 374554975 /nfs/dbraw/zinc/55/49/75/374554975.db2.gz RLBCPWDTWQHMBS-AWEZNQCLSA-N 1 1 287.363 1.878 40 0 biogenic,in-vitro CDABMO CN1c2cccnc2C[N@H+](Cc2ccoc2)CC[C@H]1CO ZINC000225497520 374554980 /nfs/dbraw/zinc/55/49/80/374554980.db2.gz RLBCPWDTWQHMBS-AWEZNQCLSA-N 1 1 287.363 1.878 40 0 biogenic,in-vitro CDABMO COCC[N@@H+]1CCc2nc(-c3ccsc3)nn2CC1 ZINC000306134772 374970443 /nfs/dbraw/zinc/97/04/43/374970443.db2.gz NXUXRIHXCKBHMB-UHFFFAOYSA-N 1 1 278.381 1.511 40 0 CDABMO c1ccc(CN2C[C@H]3C[NH2+]C4(CCOCC4)[C@@H]3C2)cc1 ZINC000257202048 190010962 /nfs/dbraw/zinc/01/09/62/190010962.db2.gz AKGCSQFTEHYNIJ-HZPDHXFCSA-N 1 1 272.392 1.887 40 0 CDABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000257212988 190013416 /nfs/dbraw/zinc/01/34/16/190013416.db2.gz CFSHRLGABPMDTE-CYBMUJFWSA-N 1 1 287.367 1.922 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ccncc2C)C[C@@]12CCCO2 ZINC000257264754 190023195 /nfs/dbraw/zinc/02/31/95/190023195.db2.gz LVXDNCMMABOAJT-GJZGRUSLSA-N 1 1 262.353 1.770 40 0 CDABMO COCCC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257278189 190025380 /nfs/dbraw/zinc/02/53/80/190025380.db2.gz OBFNPJLROCMUGT-CQSZACIVSA-N 1 1 262.353 1.538 40 0 CDABMO COCCC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257278189 190025381 /nfs/dbraw/zinc/02/53/81/190025381.db2.gz OBFNPJLROCMUGT-CQSZACIVSA-N 1 1 262.353 1.538 40 0 CDABMO CNC(=O)[C@@]1(CCCc2cnccn2)CCC[N@H+]1C ZINC000257318559 190033840 /nfs/dbraw/zinc/03/38/40/190033840.db2.gz VOLJIRKAVRFYIF-CQSZACIVSA-N 1 1 262.357 1.010 40 0 CDABMO CCn1nc(C)c(C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)c1C ZINC000257334105 190035328 /nfs/dbraw/zinc/03/53/28/190035328.db2.gz YEORICXAJGKYNK-HOTGVXAUSA-N 1 1 293.411 1.636 40 0 CDABMO C[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216356 390620931 /nfs/dbraw/zinc/62/09/31/390620931.db2.gz SWJQOOXJCRPJOU-CQSZACIVSA-N 1 1 260.385 1.648 40 0 CDABMO CC(C)NC(=O)[C@H]1C[C@@H]2CC[N@H+](C3CCCC3)C[C@H]2O1 ZINC000096042684 390912084 /nfs/dbraw/zinc/91/20/84/390912084.db2.gz HZUXKIAWRONXBQ-NWANDNLSSA-N 1 1 280.412 1.933 40 0 CDABMO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC2)O1 ZINC000096057329 390912420 /nfs/dbraw/zinc/91/24/20/390912420.db2.gz VPCFBQRFXRHOIS-UPJWGTAASA-N 1 1 252.358 1.107 40 0 CDABMO CN1CCN([C@@H]2COC3(C2)CC[NH+](CC2CC2)CC3)CC1 ZINC000096048867 390912465 /nfs/dbraw/zinc/91/24/65/390912465.db2.gz QJJXYAWKDDCFQC-INIZCTEOSA-N 1 1 293.455 1.267 40 0 CDABMO CCn1nccc1-c1cnc(C[C@H]2CC[N@@H+](C)C2)cn1 ZINC000257322741 391649557 /nfs/dbraw/zinc/64/95/57/391649557.db2.gz WHEUYIYEKZHEQK-GFCCVEGCSA-N 1 1 271.368 1.854 40 0 CDABMO COc1ccc(OC)c2c(N3CC[NH2+]CC3)cc(C)nc12 ZINC000032500242 392222617 /nfs/dbraw/zinc/22/26/17/392222617.db2.gz CJGXVQQCXZXIHP-UHFFFAOYSA-N 1 1 287.363 1.970 40 0 CDABMO Cc1ccc(C)c(CC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000044839517 175263026 /nfs/dbraw/zinc/26/30/26/175263026.db2.gz UDTINSYQCYLXGB-UHFFFAOYSA-N 1 1 290.407 1.684 40 0 CDABMO NC(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000072367785 176382374 /nfs/dbraw/zinc/38/23/74/176382374.db2.gz YFJPWEKKOPDXIT-LLVKDONJSA-N 1 1 266.316 1.402 40 0 CDABMO NC(=O)C[N@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000072367785 176382375 /nfs/dbraw/zinc/38/23/75/176382375.db2.gz YFJPWEKKOPDXIT-LLVKDONJSA-N 1 1 266.316 1.402 40 0 CDABMO CC(=O)N1CC[N@H+](C)C[C@H](COc2ccccc2)C1 ZINC000072374462 176385077 /nfs/dbraw/zinc/38/50/77/176385077.db2.gz PHYBICMTHJIBAE-AWEZNQCLSA-N 1 1 262.353 1.476 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1c(F)cccc1F ZINC000072397607 176394859 /nfs/dbraw/zinc/39/48/59/176394859.db2.gz YBWGFWOFSBBTQN-SDDRHHMPSA-N 1 1 282.334 1.604 40 0 CDABMO COC[C@H]1C[N@@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096060201 277267315 /nfs/dbraw/zinc/26/73/15/277267315.db2.gz ZENHMLOKIIHUHE-CYBMUJFWSA-N 1 1 279.384 1.392 40 0 CDABMO Cc1cn[nH]c1[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000072364561 280284562 /nfs/dbraw/zinc/28/45/62/280284562.db2.gz FXRPSZBHCRPICW-CYBMUJFWSA-N 1 1 276.384 1.723 40 0 CDABMO Cc1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc(C)[nH+]1 ZINC000080674320 280628338 /nfs/dbraw/zinc/62/83/38/280628338.db2.gz VJRRIBRFHGEZIH-LLVKDONJSA-N 1 1 262.357 1.905 40 0 CDABMO O=C([C@@H]1C[N@@H+](CC2CC2)CC12CCOCC2)N1CCCC1 ZINC000096052193 185074453 /nfs/dbraw/zinc/07/44/53/185074453.db2.gz DGNJHOVPWCETDH-HNNXBMFYSA-N 1 1 292.423 1.747 40 0 CDABMO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2cnn(C)c2)C1 ZINC000096059212 185078603 /nfs/dbraw/zinc/07/86/03/185078603.db2.gz YIZGZISBVNGEKX-CQSZACIVSA-N 1 1 289.383 1.285 40 0 CDABMO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2cnn(C)c2)C1 ZINC000096059212 185078604 /nfs/dbraw/zinc/07/86/04/185078604.db2.gz YIZGZISBVNGEKX-CQSZACIVSA-N 1 1 289.383 1.285 40 0 CDABMO c1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nncs2)co1 ZINC000096083015 185092207 /nfs/dbraw/zinc/09/22/07/185092207.db2.gz ZRPAXZASVUKNEN-NEPJUHHUSA-N 1 1 276.365 1.984 40 0 CDABMO Cn1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CC2)cn1 ZINC000096100476 185097534 /nfs/dbraw/zinc/09/75/34/185097534.db2.gz IWIDBCFWATZDGI-LSDHHAIUSA-N 1 1 260.385 1.479 40 0 CDABMO c1cc2n(n1)CC[C@@H](COc1cnccn1)[N@H+](C1CCC1)C2 ZINC000585096678 342211830 /nfs/dbraw/zinc/21/18/30/342211830.db2.gz AATPPXUGCXZPKJ-HNNXBMFYSA-N 1 1 299.378 1.879 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2O1 ZINC000097953831 529929098 /nfs/dbraw/zinc/92/90/98/529929098.db2.gz QHPNTTOFLJSZIG-ZNMIVQPWSA-N 1 1 274.364 1.412 40 0 CDABMO C[N@@H+]1CCO[C@](C)(C(=O)NCc2cccc(F)c2F)C1 ZINC000257330386 362587104 /nfs/dbraw/zinc/58/71/04/362587104.db2.gz XODSAVHGGYENDM-AWEZNQCLSA-N 1 1 284.306 1.302 40 0 CDABMO C[N@H+]1CCO[C@](C)(C(=O)NCc2cccc(F)c2F)C1 ZINC000257330386 362587105 /nfs/dbraw/zinc/58/71/05/362587105.db2.gz XODSAVHGGYENDM-AWEZNQCLSA-N 1 1 284.306 1.302 40 0 CDABMO c1ccc(O[C@H]2COCC[N@H+](C3CCOCC3)C2)cc1 ZINC000085435975 179063179 /nfs/dbraw/zinc/06/31/79/179063179.db2.gz DXMNRILDMFCSRW-MRXNPFEDSA-N 1 1 277.364 1.945 40 0 biogenic,in-vitro CDABMO COCC[N@H+]1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000107785543 186190415 /nfs/dbraw/zinc/19/04/15/186190415.db2.gz QFUGTLDKZSMHCV-HUUCEWRRSA-N 1 1 278.352 1.340 40 0 CDABMO CCC[N@@H+]1CCc2nc(N)c(C(=O)N(C)C)cc2C1 ZINC000019700632 356496022 /nfs/dbraw/zinc/49/60/22/356496022.db2.gz OTCAWDBEWMWDHH-UHFFFAOYSA-N 1 1 262.357 1.134 40 0 CDABMO CCC[N@H+]1CCc2nc(N)c(C(=O)N(C)C)cc2C1 ZINC000019700632 356496024 /nfs/dbraw/zinc/49/60/24/356496024.db2.gz OTCAWDBEWMWDHH-UHFFFAOYSA-N 1 1 262.357 1.134 40 0 CDABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)ccc1O ZINC000019842574 356509918 /nfs/dbraw/zinc/50/99/18/356509918.db2.gz CQPURIXQVMTKEC-UHFFFAOYSA-N 1 1 280.393 1.714 40 0 CDABMO OCC[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000079393543 356990063 /nfs/dbraw/zinc/99/00/63/356990063.db2.gz QQLSXSJJYFZYDC-INIZCTEOSA-N 1 1 274.408 1.965 40 0 CDABMO CC[NH+]1CCN(C(=O)[C@@H](C)Oc2cccc(N)c2)CC1 ZINC000041430545 357036254 /nfs/dbraw/zinc/03/62/54/357036254.db2.gz MCZZNUDIPWYNMJ-GFCCVEGCSA-N 1 1 277.368 1.200 40 0 CDABMO O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1C[NH+]1CCCCC1 ZINC000003901115 358555848 /nfs/dbraw/zinc/55/58/48/358555848.db2.gz IWCIPIGHZWJGDL-MPZDIEGVSA-N 1 1 260.337 1.237 40 0 CDABMO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccncc2)cn1 ZINC000096184601 358714282 /nfs/dbraw/zinc/71/42/82/358714282.db2.gz PCKAUMBNIGDFOA-SJORKVTESA-N 1 1 297.406 1.664 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccncc2)cn1 ZINC000096184601 358714284 /nfs/dbraw/zinc/71/42/84/358714284.db2.gz PCKAUMBNIGDFOA-SJORKVTESA-N 1 1 297.406 1.664 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccncc2)cn1 ZINC000096184601 358714285 /nfs/dbraw/zinc/71/42/85/358714285.db2.gz PCKAUMBNIGDFOA-SJORKVTESA-N 1 1 297.406 1.664 40 0 CDABMO Cc1ccccc1N1C[C@]2(CC[N@@H+](CCO)C2)CC1=O ZINC000096239426 358724916 /nfs/dbraw/zinc/72/49/16/358724916.db2.gz WEPAXOOTBSFMOL-MRXNPFEDSA-N 1 1 274.364 1.416 40 0 CDABMO O=C(c1ccco1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000096246057 358725578 /nfs/dbraw/zinc/72/55/78/358725578.db2.gz HMOGFPKPYGOXFR-QWHCGFSZSA-N 1 1 260.337 1.836 40 0 CDABMO CCOC[C@H]1Cn2nccc2C[N@@H+](C[C@H]2CCOC2)C1 ZINC000107210542 359017556 /nfs/dbraw/zinc/01/75/56/359017556.db2.gz ZJXQTGUVMVTQJR-ZIAGYGMSSA-N 1 1 279.384 1.388 40 0 CDABMO CCOc1ccccc1OCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000075752502 360359339 /nfs/dbraw/zinc/35/93/39/360359339.db2.gz NELSNTOHPHIZDE-CYBMUJFWSA-N 1 1 292.379 1.627 40 0 CDABMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)NC1CCCCC1 ZINC000010153577 283866481 /nfs/dbraw/zinc/86/64/81/283866481.db2.gz RNELIEXFFBGTBO-IHRRRGAJSA-N 1 1 293.411 1.225 40 0 CDABMO COc1ccc(CCCCNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000225488806 374495417 /nfs/dbraw/zinc/49/54/17/374495417.db2.gz HDKYGVQVJRATSY-HNNXBMFYSA-N 1 1 292.379 1.123 40 0 CDABMO CCn1cc(C[NH2+]Cc2ccnn2CCF)cn1 ZINC000256053379 190004657 /nfs/dbraw/zinc/00/46/57/190004657.db2.gz RFFDCSSLSLURMJ-UHFFFAOYSA-N 1 1 251.309 1.359 40 0 CDABMO Cc1cc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)n(C)n1 ZINC000256054480 190005478 /nfs/dbraw/zinc/00/54/78/190005478.db2.gz WLUQVCYQRPNILV-UHFFFAOYSA-N 1 1 287.289 1.771 40 0 CDABMO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257253013 190020923 /nfs/dbraw/zinc/02/09/23/190020923.db2.gz JXFZUYAFAUABJV-LBPRGKRZSA-N 1 1 259.357 1.896 40 0 CDABMO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257253013 190020924 /nfs/dbraw/zinc/02/09/24/190020924.db2.gz JXFZUYAFAUABJV-LBPRGKRZSA-N 1 1 259.357 1.896 40 0 CDABMO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257253013 190020925 /nfs/dbraw/zinc/02/09/25/190020925.db2.gz JXFZUYAFAUABJV-LBPRGKRZSA-N 1 1 259.357 1.896 40 0 CDABMO C[C@@]1(C(N)=O)C[N@@H+](Cc2ccc3ccccc3c2)CCO1 ZINC000257301049 190030278 /nfs/dbraw/zinc/03/02/78/190030278.db2.gz RWUBTDHAVONRSZ-KRWDZBQOSA-N 1 1 284.359 1.916 40 0 CDABMO Cc1nn(CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000002776607 378053316 /nfs/dbraw/zinc/05/33/16/378053316.db2.gz ZSDQQBADYBLHBK-LLVKDONJSA-N 1 1 282.775 1.152 40 0 CDABMO CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@]2([NH3+])COC)cc1 ZINC000242464086 256699287 /nfs/dbraw/zinc/69/92/87/256699287.db2.gz DVJULQOTMMBCMX-RDBSUJKOSA-N 1 1 283.393 1.103 40 0 CDABMO CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1cnn(C)c1 ZINC000096186513 256816706 /nfs/dbraw/zinc/81/67/06/256816706.db2.gz PCLBBPNGINQEHM-KBPBESRZSA-N 1 1 276.384 1.646 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]2C1 ZINC000096249557 256834788 /nfs/dbraw/zinc/83/47/88/256834788.db2.gz PKGFRYDXLLYEED-TZMCWYRMSA-N 1 1 294.420 1.470 40 0 CDABMO C[NH+]1CCN(c2ccc([C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000072216537 390620821 /nfs/dbraw/zinc/62/08/21/390620821.db2.gz XRVZVLATRZIVIU-OAHLLOKOSA-N 1 1 274.412 1.990 40 0 CDABMO CN1CCN(c2ccc([C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000072216537 390620827 /nfs/dbraw/zinc/62/08/27/390620827.db2.gz XRVZVLATRZIVIU-OAHLLOKOSA-N 1 1 274.412 1.990 40 0 CDABMO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+]3C)n2)ncn1 ZINC000072377382 390628198 /nfs/dbraw/zinc/62/81/98/390628198.db2.gz AHMXFBLIUWHOCG-NSHDSACASA-N 1 1 285.355 1.819 40 0 CDABMO CSc1c2c(cc3c1C[N@H+](C)C[C@@H]3O)OCO2 ZINC000261829928 391711303 /nfs/dbraw/zinc/71/13/03/391711303.db2.gz ZLGGLZOUDBAFGP-VIFPVBQESA-N 1 1 253.323 1.616 40 0 CDABMO CSc1c2c(cc3c1C[N@@H+](C)C[C@@H]3O)OCO2 ZINC000261829928 391711306 /nfs/dbraw/zinc/71/13/06/391711306.db2.gz ZLGGLZOUDBAFGP-VIFPVBQESA-N 1 1 253.323 1.616 40 0 CDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccc2c(c1)OCO2 ZINC000242687316 391944966 /nfs/dbraw/zinc/94/49/66/391944966.db2.gz UEVQFQHLXDQCMU-WDEREUQCSA-N 1 1 263.293 1.234 40 0 CDABMO CCn1nnc(C)c1C[N@H+]1CCS[C@@H](C)CC1 ZINC000336208372 151360926 /nfs/dbraw/zinc/36/09/26/151360926.db2.gz FWVLFSNGELXIIL-JTQLQIEISA-N 1 1 254.403 1.934 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(N)c2)CC1 ZINC000022124764 171353864 /nfs/dbraw/zinc/35/38/64/171353864.db2.gz URWYHILDBGKDLI-UHFFFAOYSA-N 1 1 263.341 1.055 40 0 CDABMO Cc1cccc(Cl)c1NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000022451016 171387482 /nfs/dbraw/zinc/38/74/82/171387482.db2.gz PZMRXDNJCFAWEE-ZDUSSCGKSA-N 1 1 297.830 1.669 40 0 in-vitro CDABMO CCOC[C@H]1C[N@@H+](CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059851 276334416 /nfs/dbraw/zinc/33/44/16/276334416.db2.gz QGGFIDAZRLJOGX-OAHLLOKOSA-N 1 1 293.411 1.782 40 0 CDABMO CNC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096057647 277014132 /nfs/dbraw/zinc/01/41/32/277014132.db2.gz BGFIHDWENVJPOR-NWANDNLSSA-N 1 1 292.354 1.551 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000096107934 277124106 /nfs/dbraw/zinc/12/41/06/277124106.db2.gz DTRBNXWHPKSOOA-DZGCQCFKSA-N 1 1 264.344 1.588 40 0 CDABMO C[C@@H]1OC(=O)[C@@H]2[C@H]1[N@H+]1CCc3ccccc3[C@@H]1C[C@H]2O ZINC000035361461 279038937 /nfs/dbraw/zinc/03/89/37/279038937.db2.gz MPEJFJFZVUSBET-WNBCSMFUSA-N 1 1 273.332 1.281 40 0 CDABMO C[C@H]1C(=O)Nc2ccccc2N1C(=O)C[NH+]1CCCC1 ZINC000001723521 279630584 /nfs/dbraw/zinc/63/05/84/279630584.db2.gz QNMYNIDGXQPJAR-NSHDSACASA-N 1 1 273.336 1.456 40 0 CDABMO c1c[nH]c(C[NH2+]Cc2ccccc2CN2CCOCC2)n1 ZINC000067667118 526405841 /nfs/dbraw/zinc/40/58/41/526405841.db2.gz GSCIDYSFXGJLSA-UHFFFAOYSA-N 1 1 286.379 1.532 40 0 CDABMO O=S1(=O)CCC([NH2+][C@@H]2CCCC2(F)F)CC1 ZINC000379458842 733835422 /nfs/dbraw/zinc/83/54/22/733835422.db2.gz QEGXWFOVQYDSIX-SECBINFHSA-N 1 1 253.314 1.341 40 0 CDABMO CCOc1cc([C@@H]([NH3+])c2nnc(C)[nH]2)ccc1OC ZINC000095534355 185006135 /nfs/dbraw/zinc/00/61/35/185006135.db2.gz LTPVBNGDSAOBDP-GFCCVEGCSA-N 1 1 262.313 1.569 40 0 CDABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096038978 185068707 /nfs/dbraw/zinc/06/87/07/185068707.db2.gz QDVIMXPIVJKTEN-HUUCEWRRSA-N 1 1 279.384 1.438 40 0 CDABMO COCC[N@H+]1CC[C@@H]2O[C@@H](c3nnc(C4CC4)o3)C[C@H]2C1 ZINC000096045983 185071337 /nfs/dbraw/zinc/07/13/37/185071337.db2.gz WNTWQEXPCHLDBX-RWMBFGLXSA-N 1 1 293.367 1.745 40 0 CDABMO c1cnc(N[C@H]2CO[C@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096047748 185073064 /nfs/dbraw/zinc/07/30/64/185073064.db2.gz PUMJTAWIVWYEPX-UKRRQHHQSA-N 1 1 274.368 1.532 40 0 CDABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccccn3)CC2)N1 ZINC000096047456 185073066 /nfs/dbraw/zinc/07/30/66/185073066.db2.gz HBYWYXQQDJTYRG-OAHLLOKOSA-N 1 1 259.353 1.716 40 0 CDABMO c1coc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C[C@@H]2CCCO2)c1 ZINC000096054340 185076792 /nfs/dbraw/zinc/07/67/92/185076792.db2.gz VBZRHKXMFUQTDJ-XHSDSOJGSA-N 1 1 292.379 1.344 40 0 CDABMO c1coc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C[C@@H]2CCCO2)c1 ZINC000096054340 185076793 /nfs/dbraw/zinc/07/67/93/185076793.db2.gz VBZRHKXMFUQTDJ-XHSDSOJGSA-N 1 1 292.379 1.344 40 0 CDABMO CCOc1ncnc2c1CC[N@@H+](Cc1ccccn1)CC2 ZINC000096058761 185078919 /nfs/dbraw/zinc/07/89/19/185078919.db2.gz BLQJDQXOKZGIEE-UHFFFAOYSA-N 1 1 284.363 1.871 40 0 CDABMO CC[C@H](C)[N@@H+]1CCc2c([nH]nc2C(=O)N2CCOCC2)C1 ZINC000096066654 185084726 /nfs/dbraw/zinc/08/47/26/185084726.db2.gz YVGCSMJPSHZTON-NSHDSACASA-N 1 1 292.383 1.039 40 0 CDABMO CC[C@H](C)[N@H+]1CCc2c([nH]nc2C(=O)N2CCOCC2)C1 ZINC000096066654 185084728 /nfs/dbraw/zinc/08/47/28/185084728.db2.gz YVGCSMJPSHZTON-NSHDSACASA-N 1 1 292.383 1.039 40 0 CDABMO c1cncc(COCc2nnc3n2CC[N@@H+](CC2CC2)C3)c1 ZINC000096084433 185093063 /nfs/dbraw/zinc/09/30/63/185093063.db2.gz VQQDCPSSAISBPS-UHFFFAOYSA-N 1 1 299.378 1.616 40 0 CDABMO c1cncc(COCc2nnc3n2CC[N@H+](CC2CC2)C3)c1 ZINC000096084433 185093064 /nfs/dbraw/zinc/09/30/64/185093064.db2.gz VQQDCPSSAISBPS-UHFFFAOYSA-N 1 1 299.378 1.616 40 0 CDABMO Cc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)CNC(=O)[C@H]2C ZINC000096100080 185097793 /nfs/dbraw/zinc/09/77/93/185097793.db2.gz CHNFZBXJLVFDOS-QEJZJMRPSA-N 1 1 258.365 1.809 40 0 CDABMO CO[C@]1(COc2ccc(F)cc2)CC[N@@H+](CCO)C1 ZINC000585273927 342255904 /nfs/dbraw/zinc/25/59/04/342255904.db2.gz GSXIQXFQGODKOK-CQSZACIVSA-N 1 1 269.316 1.288 40 0 CDABMO CN1CC[N@@H+](Cc2cccs2)C[C@@]2(CCCC(=O)N2)C1 ZINC000248093032 362149579 /nfs/dbraw/zinc/14/95/79/362149579.db2.gz WJVRXZLBNFFSDE-OAHLLOKOSA-N 1 1 293.436 1.534 40 0 CDABMO C[N@@H+]1CCN(Cc2cccs2)C[C@@]2(CCCC(=O)N2)C1 ZINC000248093032 362149583 /nfs/dbraw/zinc/14/95/83/362149583.db2.gz WJVRXZLBNFFSDE-OAHLLOKOSA-N 1 1 293.436 1.534 40 0 CDABMO C[N@H+]1CCN(Cc2cccs2)C[C@@]2(CCCC(=O)N2)C1 ZINC000248093032 362149586 /nfs/dbraw/zinc/14/95/86/362149586.db2.gz WJVRXZLBNFFSDE-OAHLLOKOSA-N 1 1 293.436 1.534 40 0 CDABMO COC(=O)[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000355132734 362311197 /nfs/dbraw/zinc/31/11/97/362311197.db2.gz AKOCVWPOCQNYMT-LLVKDONJSA-N 1 1 255.358 1.877 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000257231857 362578986 /nfs/dbraw/zinc/57/89/86/362578986.db2.gz GIKYQHPIQIFGEB-AWEZNQCLSA-N 1 1 299.378 1.372 40 0 CDABMO CC[N@@H+]1C[C@H](NC(=O)NCc2cccnc2C)[C@@H](C)C1 ZINC000623743281 345452396 /nfs/dbraw/zinc/45/23/96/345452396.db2.gz OLBQYWDGSMBIID-FZMZJTMJSA-N 1 1 276.384 1.529 40 0 CDABMO Cn1cc(C[N@@H+]2C[C@@H]3[C@H](CC(=O)N4CCCC4)[C@@H]3C2)cn1 ZINC000107745891 186188707 /nfs/dbraw/zinc/18/87/07/186188707.db2.gz QBPNNHJTJSCCGH-QDMKHBRRSA-N 1 1 288.395 1.110 40 0 CDABMO Cc1nonc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000019558858 356491362 /nfs/dbraw/zinc/49/13/62/356491362.db2.gz AJESEGAELQESAY-NSHDSACASA-N 1 1 290.323 1.538 40 0 CDABMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000019527286 356490653 /nfs/dbraw/zinc/49/06/53/356490653.db2.gz INMVWTHYUPKDFG-LLVKDONJSA-N 1 1 276.384 1.503 40 0 CDABMO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000019527286 356490657 /nfs/dbraw/zinc/49/06/57/356490657.db2.gz INMVWTHYUPKDFG-LLVKDONJSA-N 1 1 276.384 1.503 40 0 CDABMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000019527286 356490660 /nfs/dbraw/zinc/49/06/60/356490660.db2.gz INMVWTHYUPKDFG-LLVKDONJSA-N 1 1 276.384 1.503 40 0 CDABMO CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404216 356989444 /nfs/dbraw/zinc/98/94/44/356989444.db2.gz FGPBFSWYEDBUFL-INIZCTEOSA-N 1 1 289.423 1.848 40 0 CDABMO CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CN ZINC000079404216 356989445 /nfs/dbraw/zinc/98/94/45/356989445.db2.gz FGPBFSWYEDBUFL-INIZCTEOSA-N 1 1 289.423 1.848 40 0 CDABMO C[N@H+](CC(=O)[O-])C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393365 356990119 /nfs/dbraw/zinc/99/01/19/356990119.db2.gz LFCSFILASHJVNC-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO C[NH+](CC(=O)[O-])C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393365 356990120 /nfs/dbraw/zinc/99/01/20/356990120.db2.gz LFCSFILASHJVNC-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO C[NH+](CC(=O)[O-])C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393365 356990121 /nfs/dbraw/zinc/99/01/21/356990121.db2.gz LFCSFILASHJVNC-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO O=S(=O)(c1cccc2ccccc21)N1CC[NH2+]CC1 ZINC000140901989 358066705 /nfs/dbraw/zinc/06/67/05/358066705.db2.gz RVYNIGCPJXKLSE-UHFFFAOYSA-N 1 1 276.361 1.434 40 0 CDABMO COc1cccc(OC[C@@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000019794759 358142154 /nfs/dbraw/zinc/14/21/54/358142154.db2.gz NTXXWKAREKTDBY-IHRRRGAJSA-N 1 1 295.379 1.544 40 0 CDABMO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000082333913 358160873 /nfs/dbraw/zinc/16/08/73/358160873.db2.gz YMSRKWAFXMPVTB-GFCCVEGCSA-N 1 1 275.352 1.925 40 0 CDABMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3C)cc1 ZINC000096184260 358713860 /nfs/dbraw/zinc/71/38/60/358713860.db2.gz KDZCXDOYULAJTO-UONOGXRCSA-N 1 1 280.393 1.462 40 0 CDABMO c1cncc(CO[C@H]2C[N@@H+]([C@H]3CCOC3)[C@@H]3COC[C@H]23)c1 ZINC000096185076 358714220 /nfs/dbraw/zinc/71/42/20/358714220.db2.gz ATODGBHDLSAECW-JONQDZQNSA-N 1 1 290.363 1.086 40 0 CDABMO COC[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)[N@H+]1C ZINC000096207660 358719960 /nfs/dbraw/zinc/71/99/60/358719960.db2.gz WUFWANDTFQDCDR-CQSZACIVSA-N 1 1 292.379 1.995 40 0 CDABMO CN(C)C(=O)C[C@@H]1C[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096207681 358720666 /nfs/dbraw/zinc/72/06/66/358720666.db2.gz XPDMWSVEVFCRGD-MELADBBJSA-N 1 1 278.352 1.347 40 0 CDABMO CS(=O)(=O)N1CCC[C@@]12CCC[N@H+](Cc1ccc[nH]1)C2 ZINC000096214983 358721551 /nfs/dbraw/zinc/72/15/51/358721551.db2.gz GGAWIGHLSNWSOA-CQSZACIVSA-N 1 1 297.424 1.405 40 0 CDABMO CS(=O)(=O)N1CCC[C@@]12CCC[N@@H+](Cc1ccc[nH]1)C2 ZINC000096214983 358721552 /nfs/dbraw/zinc/72/15/52/358721552.db2.gz GGAWIGHLSNWSOA-CQSZACIVSA-N 1 1 297.424 1.405 40 0 CDABMO CC(C)c1ccc(NC(=O)C[C@@H]([NH2+]CCN)C(=O)[O-])cc1 ZINC000096305818 358732454 /nfs/dbraw/zinc/73/24/54/358732454.db2.gz VTOUYQXVIYTGRQ-CYBMUJFWSA-N 1 1 293.367 1.140 40 0 CDABMO CC(C)c1ccc(NC(=O)C[C@@H]([NH2+]CC[NH3+])C(=O)[O-])cc1 ZINC000096305818 358732455 /nfs/dbraw/zinc/73/24/55/358732455.db2.gz VTOUYQXVIYTGRQ-CYBMUJFWSA-N 1 1 293.367 1.140 40 0 CDABMO O=c1cc(O)c2c([nH]1)CC[N@H+](Cc1ccccc1)C2 ZINC000095097362 374869121 /nfs/dbraw/zinc/86/91/21/374869121.db2.gz REIFYYVABNNBHI-UHFFFAOYSA-N 1 1 256.305 1.639 40 0 CDABMO OCC1CC[NH+](Cc2cnc([C@H]3CCCCO3)nc2)CC1 ZINC000257252665 190020456 /nfs/dbraw/zinc/02/04/56/190020456.db2.gz JVQHAXNWNCAUSA-OAHLLOKOSA-N 1 1 291.395 1.923 40 0 CDABMO CNc1nccnc1[C@@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000257258121 190021335 /nfs/dbraw/zinc/02/13/35/190021335.db2.gz KSLVKPOFINJXPE-ZDUSSCGKSA-N 1 1 292.383 1.318 40 0 CDABMO CNc1nccnc1[C@@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC000257258121 190021336 /nfs/dbraw/zinc/02/13/36/190021336.db2.gz KSLVKPOFINJXPE-ZDUSSCGKSA-N 1 1 292.383 1.318 40 0 CDABMO Cc1nccc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)n1 ZINC000257258327 190021388 /nfs/dbraw/zinc/02/13/88/190021388.db2.gz KTIQXBXOOJWTQP-CYBMUJFWSA-N 1 1 269.352 1.955 40 0 CDABMO Cn1ccnc1-c1cncc(C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000257327362 190034903 /nfs/dbraw/zinc/03/49/03/190034903.db2.gz XBBQSLIVNHRFPG-GFCCVEGCSA-N 1 1 271.368 1.761 40 0 CDABMO COC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)CC(C)C)C2)C1 ZINC000306125193 285279019 /nfs/dbraw/zinc/27/90/19/285279019.db2.gz CISPDMZACOVLRI-CYBMUJFWSA-N 1 1 268.401 1.602 40 0 CDABMO C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079415986 390421636 /nfs/dbraw/zinc/42/16/36/390421636.db2.gz NRIFDBSDRALQHL-AWEZNQCLSA-N 1 1 262.353 1.525 40 0 CDABMO C[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000079415986 390421640 /nfs/dbraw/zinc/42/16/40/390421640.db2.gz NRIFDBSDRALQHL-AWEZNQCLSA-N 1 1 262.353 1.525 40 0 CDABMO C[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000079415986 390421643 /nfs/dbraw/zinc/42/16/43/390421643.db2.gz NRIFDBSDRALQHL-AWEZNQCLSA-N 1 1 262.353 1.525 40 0 CDABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccco2)cc1 ZINC000072227150 390627089 /nfs/dbraw/zinc/62/70/89/390627089.db2.gz GVWWAZLCGMHVFR-QWHCGFSZSA-N 1 1 258.277 1.703 40 0 CDABMO CCn1ncc2c1[C@H](COC)C[N@@H+](CC1CCOCC1)C2 ZINC000096060167 390912223 /nfs/dbraw/zinc/91/22/23/390912223.db2.gz YBRPUZGRFWIHCW-HNNXBMFYSA-N 1 1 293.411 1.875 40 0 CDABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1 ZINC000004223145 391424412 /nfs/dbraw/zinc/42/44/12/391424412.db2.gz AIKBGOLKCFZIGN-MELADBBJSA-N 1 1 287.363 1.414 40 0 CDABMO CCn1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000005962265 170163923 /nfs/dbraw/zinc/16/39/23/170163923.db2.gz ZKZKGXIDAWIAAY-GFCCVEGCSA-N 1 1 262.357 1.132 40 0 CDABMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCOc1ccccc1 ZINC000022584714 171392362 /nfs/dbraw/zinc/39/23/62/171392362.db2.gz CERXAIIVWSSCFY-HUUCEWRRSA-N 1 1 278.396 1.452 40 0 CDABMO C[C@@H]1C[N@H+](CCOc2ccccc2)[C@H](C)CN1CCO ZINC000022584714 171392364 /nfs/dbraw/zinc/39/23/64/171392364.db2.gz CERXAIIVWSSCFY-HUUCEWRRSA-N 1 1 278.396 1.452 40 0 CDABMO C[C@@H]1C[N@@H+](CCOc2ccccc2)[C@H](C)CN1CCO ZINC000022584714 171392366 /nfs/dbraw/zinc/39/23/66/171392366.db2.gz CERXAIIVWSSCFY-HUUCEWRRSA-N 1 1 278.396 1.452 40 0 CDABMO COc1ccc(-c2cccc(C[C@@H]3[NH2+]CCNC3=O)c2)cc1 ZINC000072352842 176374153 /nfs/dbraw/zinc/37/41/53/176374153.db2.gz XRYQZOZENAXWPR-KRWDZBQOSA-N 1 1 296.370 1.993 40 0 CDABMO Cc1[nH+]ccn1CCC1CCN(C(=O)c2cnccn2)CC1 ZINC000072368280 176383351 /nfs/dbraw/zinc/38/33/51/176383351.db2.gz ZVTNVIMVJBEOOC-UHFFFAOYSA-N 1 1 299.378 1.924 40 0 CDABMO Cc1nc(C[N@@H+]2CCC[C@@H](Cc3ccc(N)nn3)C2)co1 ZINC000072387338 176392640 /nfs/dbraw/zinc/39/26/40/176392640.db2.gz SLGHXFYDDVBURN-LBPRGKRZSA-N 1 1 287.367 1.810 40 0 CDABMO Cc1nc(C[N@H+]2CCC[C@@H](Cc3ccc(N)nn3)C2)co1 ZINC000072387338 176392642 /nfs/dbraw/zinc/39/26/42/176392642.db2.gz SLGHXFYDDVBURN-LBPRGKRZSA-N 1 1 287.367 1.810 40 0 CDABMO OCC[NH+](CCO)Cc1cc(Cl)nc(Cl)c1 ZINC000075714053 260166114 /nfs/dbraw/zinc/16/61/14/260166114.db2.gz WNIJXQKGBBAPDV-UHFFFAOYSA-N 1 1 265.140 1.175 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000339470984 276171216 /nfs/dbraw/zinc/17/12/16/276171216.db2.gz KQWCSSHIRQMCBG-MGPQQGTHSA-N 1 1 295.427 1.282 40 0 CDABMO C[N@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225484452 277179384 /nfs/dbraw/zinc/17/93/84/277179384.db2.gz IWSHWZDFVPBXGU-NSHDSACASA-N 1 1 250.273 1.986 40 0 biogenic,in-vitro CDABMO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCc2ncncc2C1 ZINC000897517937 620894612 /nfs/dbraw/zinc/89/46/12/620894612.db2.gz AIXUUNBBBJHSQN-GFCCVEGCSA-N 1 1 289.383 1.029 40 0 CDABMO CCn1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)nn1 ZINC000899880332 622502282 /nfs/dbraw/zinc/50/22/82/622502282.db2.gz QLEKEDHCDVNVSS-LLVKDONJSA-N 1 1 256.300 1.919 40 0 CDABMO CCOc1ccc([C@H]([NH3+])c2nc(C)n(C)n2)cc1OCC ZINC000095534636 185006665 /nfs/dbraw/zinc/00/66/65/185006665.db2.gz PWIVVMJWOONSHD-AWEZNQCLSA-N 1 1 290.367 1.969 40 0 CDABMO Cc1noc(C)c1C[N@H+]1CCCc2c(c(=O)n(C)n2C)C1 ZINC000096070102 185085427 /nfs/dbraw/zinc/08/54/27/185085427.db2.gz OJSRSMJOCGDHCD-UHFFFAOYSA-N 1 1 290.367 1.277 40 0 CDABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1ccco1)CC[C@@H]2OC ZINC000096109416 185099469 /nfs/dbraw/zinc/09/94/69/185099469.db2.gz YGXOIRMOJABJFT-XHSDSOJGSA-N 1 1 294.395 1.447 40 0 CDABMO NC(=O)CC[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000585277399 342256316 /nfs/dbraw/zinc/25/63/16/342256316.db2.gz VZNHWOOYGOJBBL-OAHLLOKOSA-N 1 1 262.353 1.279 40 0 CDABMO Cc1ccc(OC[C@]2(O)COCC[N@H+](C3CCC3)C2)cc1 ZINC000585284283 342258660 /nfs/dbraw/zinc/25/86/60/342258660.db2.gz WOGSNWUXCVHXBM-QGZVFWFLSA-N 1 1 291.391 1.990 40 0 CDABMO C[N@@H+](CC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1)C1CCCC1 ZINC000257205240 362576825 /nfs/dbraw/zinc/57/68/25/362576825.db2.gz AYEIKLVTEYDBBL-HOCLYGCPSA-N 1 1 296.411 1.003 40 0 CDABMO O=C1CCC[C@]2(C[N@@H+](CCO)C[C@H]2c2ccccc2F)N1 ZINC000257210130 362577845 /nfs/dbraw/zinc/57/78/45/362577845.db2.gz BTGZNUYHLLTPFW-XJKSGUPXSA-N 1 1 292.354 1.256 40 0 CDABMO Cn1nc(C[NH+]2CCCCC2)c2c1CN([C@@H]1CCOC1)C2 ZINC000096084523 282803755 /nfs/dbraw/zinc/80/37/55/282803755.db2.gz COJASDLIIJDJOR-CYBMUJFWSA-N 1 1 290.411 1.511 40 0 CDABMO COC(=O)[C@H]([NH3+])Cc1ccc(O)cc1C(F)(F)F ZINC000016159121 356433208 /nfs/dbraw/zinc/43/32/08/356433208.db2.gz HDACRITYBVVSQT-SECBINFHSA-N 1 1 263.215 1.454 40 0 CDABMO CN(C)c1ncc(C[N@H+]2CCC[C@H](c3cnccn3)C2)cn1 ZINC000019585523 356492517 /nfs/dbraw/zinc/49/25/17/356492517.db2.gz RNJVCBWOBGPMEX-AWEZNQCLSA-N 1 1 298.394 1.712 40 0 CDABMO [NH3+]Cc1nc(-c2ccc(Br)cc2)no1 ZINC000020268672 356534214 /nfs/dbraw/zinc/53/42/14/356534214.db2.gz OALIRJGXZFRXRN-UHFFFAOYSA-N 1 1 254.087 1.958 40 0 CDABMO CCN(CCO)C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393507 356990038 /nfs/dbraw/zinc/99/00/38/356990038.db2.gz LOGMKGZVCKTZDN-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO CC[N@H+](CCO)C[C@H]1CCCN1Cc1ccccc1 ZINC000079393507 356990041 /nfs/dbraw/zinc/99/00/41/356990041.db2.gz LOGMKGZVCKTZDN-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO CC[N@@H+](CCO)C[C@H]1CCCN1Cc1ccccc1 ZINC000079393507 356990044 /nfs/dbraw/zinc/99/00/44/356990044.db2.gz LOGMKGZVCKTZDN-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000082336301 358160390 /nfs/dbraw/zinc/16/03/90/358160390.db2.gz KIFFZCAITNKVIM-JTQLQIEISA-N 1 1 262.309 1.696 40 0 CDABMO CN(C)C(=O)[C@H]1CO[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]12 ZINC000096219468 358722043 /nfs/dbraw/zinc/72/20/43/358722043.db2.gz LGCPYNIHVZOSOY-FRRDWIJNSA-N 1 1 280.393 1.283 40 0 CDABMO O=C1[C@H]2C[N@H+]([C@@H]3CCOC3)C[C@H]2CN1c1ccccc1 ZINC000096245156 358724620 /nfs/dbraw/zinc/72/46/20/358724620.db2.gz MLSDZISUAMWFMN-CFVMTHIKSA-N 1 1 272.348 1.370 40 0 CDABMO O=C([C@@H]1CCCC[N@H+]1C[C@@H]1CO1)N1CCCCC1 ZINC000095097824 296010265 /nfs/dbraw/zinc/01/02/65/296010265.db2.gz WVWZEJFUJALBRB-OLZOCXBDSA-N 1 1 252.358 1.252 40 0 CDABMO C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514290036 360126508 /nfs/dbraw/zinc/12/65/08/360126508.db2.gz VIASVLBKSHWERV-YQQAZPJKSA-N 1 1 288.391 1.709 40 0 biogenic,in-vitro CDABMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](C)Cc1ccccc1 ZINC000132311806 361220006 /nfs/dbraw/zinc/22/00/06/361220006.db2.gz KKEDREBDTMFYQW-YUELXQCFSA-N 1 1 277.364 1.473 40 0 CDABMO CCOC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134884185 361661387 /nfs/dbraw/zinc/66/13/87/361661387.db2.gz ADKWJLPWNCWVKV-UKRRQHHQSA-N 1 1 280.412 1.888 40 0 CDABMO CCOC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134884185 361661393 /nfs/dbraw/zinc/66/13/93/361661393.db2.gz ADKWJLPWNCWVKV-UKRRQHHQSA-N 1 1 280.412 1.888 40 0 CDABMO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](n3ccnn3)C2)o1 ZINC000333418534 205303579 /nfs/dbraw/zinc/30/35/79/205303579.db2.gz RGQKYYMNOYIGTR-NEPJUHHUSA-N 1 1 261.329 1.973 40 0 CDABMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](n3ccnn3)C2)o1 ZINC000333418534 205303584 /nfs/dbraw/zinc/30/35/84/205303584.db2.gz RGQKYYMNOYIGTR-NEPJUHHUSA-N 1 1 261.329 1.973 40 0 CDABMO C[NH+](C)[C@@]1([C@H](CN)CO)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000225467416 374467027 /nfs/dbraw/zinc/46/70/27/374467027.db2.gz SYVBJXKIQQWHLO-MYZSUADSSA-N 1 1 254.418 1.700 40 0 CDABMO c1ccc(CN2C[C@H]3[C@@H](C[NH2+]C34CCOCC4)C2)cc1 ZINC000257202047 190010821 /nfs/dbraw/zinc/01/08/21/190010821.db2.gz AKGCSQFTEHYNIJ-HOTGVXAUSA-N 1 1 272.392 1.887 40 0 CDABMO CN(C)Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cncs3)C2)n1 ZINC000257205195 190011838 /nfs/dbraw/zinc/01/18/38/190011838.db2.gz AYAOZFHTKARGNR-NSHDSACASA-N 1 1 291.424 1.917 40 0 CDABMO CNC(=O)C[N@@H+]1C[C@@H]2[C@H](Oc3cccnc3C)CC[C@@H]2C1 ZINC000257294572 190028770 /nfs/dbraw/zinc/02/87/70/190028770.db2.gz QUSXJGIHYDQFHB-VNHYZAJKSA-N 1 1 289.379 1.225 40 0 CDABMO CC(C)N(C(=O)CN)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404258 390421773 /nfs/dbraw/zinc/42/17/73/390421773.db2.gz MSXANNZUDCQRGW-INIZCTEOSA-N 1 1 289.423 1.847 40 0 CDABMO CC(C)N(C(=O)CN)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404258 390421775 /nfs/dbraw/zinc/42/17/75/390421775.db2.gz MSXANNZUDCQRGW-INIZCTEOSA-N 1 1 289.423 1.847 40 0 CDABMO COC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)[N@H+]1C ZINC000096207109 390913485 /nfs/dbraw/zinc/91/34/85/390913485.db2.gz FIIRYDROOCHAOU-ZDUSSCGKSA-N 1 1 294.374 1.695 40 0 CDABMO CO[C@H]1Cn2cccc2C[N@H+](C2CCOCC2)C1 ZINC000247917658 391423275 /nfs/dbraw/zinc/42/32/75/391423275.db2.gz ZPZJWMRQJRONOB-AWEZNQCLSA-N 1 1 250.342 1.498 40 0 CDABMO CN1CC[NH+](C[C@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022465736 171388761 /nfs/dbraw/zinc/38/87/61/171388761.db2.gz PWONMBSJTNRGNI-INIZCTEOSA-N 1 1 290.407 1.162 40 0 CDABMO C[C@@H](C(=O)N1CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000022585709 171392784 /nfs/dbraw/zinc/39/27/84/171392784.db2.gz XEPBAHKKZFWEHN-ZDUSSCGKSA-N 1 1 273.380 1.212 40 0 CDABMO Cc1ccccc1C[N@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000077266783 177247109 /nfs/dbraw/zinc/24/71/09/177247109.db2.gz IEWFLGGUYCPVFV-AWEZNQCLSA-N 1 1 259.353 1.547 40 0 biogenic,in-vitro CDABMO Cc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)CNC(=O)[C@@H]2C ZINC000096045707 185071974 /nfs/dbraw/zinc/07/19/74/185071974.db2.gz CHNFZBXJLVFDOS-SNPRPXQTSA-N 1 1 258.365 1.809 40 0 CDABMO c1ccc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)nc1 ZINC000096054997 185075616 /nfs/dbraw/zinc/07/56/16/185075616.db2.gz GIIGNWXDMJMFCV-IAGOWNOFSA-N 1 1 287.407 1.767 40 0 CDABMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nccs1 ZINC000096056464 185077630 /nfs/dbraw/zinc/07/76/30/185077630.db2.gz LLUKGKSCSHDMBL-NXEZZACHSA-N 1 1 251.355 1.338 40 0 CDABMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nccs1 ZINC000096056464 185077632 /nfs/dbraw/zinc/07/76/32/185077632.db2.gz LLUKGKSCSHDMBL-NXEZZACHSA-N 1 1 251.355 1.338 40 0 CDABMO CCOC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2cnn(C)c21 ZINC000096060056 185080971 /nfs/dbraw/zinc/08/09/71/185080971.db2.gz BZQUHSGHHCZNIF-AWEZNQCLSA-N 1 1 289.383 1.290 40 0 CDABMO CCOC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2cnn(C)c21 ZINC000096060056 185080972 /nfs/dbraw/zinc/08/09/72/185080972.db2.gz BZQUHSGHHCZNIF-AWEZNQCLSA-N 1 1 289.383 1.290 40 0 CDABMO O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CN1c1cncnc1 ZINC000096080712 185090808 /nfs/dbraw/zinc/09/08/08/185090808.db2.gz MEXOUVAVUSCMMU-HOCLYGCPSA-N 1 1 294.358 1.571 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000096107929 185099993 /nfs/dbraw/zinc/09/99/93/185099993.db2.gz ACWWOEXVLBACND-DZGCQCFKSA-N 1 1 292.354 1.157 40 0 CDABMO C[NH+](C)[C@]1([C@@H](CN)CO)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351079 361914329 /nfs/dbraw/zinc/91/43/29/361914329.db2.gz SYVBJXKIQQWHLO-JURCDPSOSA-N 1 1 254.418 1.700 40 0 CDABMO COc1cccc(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)n1 ZINC000332087622 362380530 /nfs/dbraw/zinc/38/05/30/362380530.db2.gz SNMMFBIXEZDNQA-LLVKDONJSA-N 1 1 274.324 1.771 40 0 CDABMO c1cnc(OC[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3CC2CC2)nc1 ZINC000107747280 186189499 /nfs/dbraw/zinc/18/94/99/186189499.db2.gz JMZBQEXKEWXMMM-KKUMJFAQSA-N 1 1 289.379 1.745 40 0 CDABMO CNC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1cncn1C)C2 ZINC000108535801 186222608 /nfs/dbraw/zinc/22/26/08/186222608.db2.gz RBLNWRQCEDSKPF-UKRRQHHQSA-N 1 1 276.384 1.158 40 0 CDABMO COC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000062160966 363032923 /nfs/dbraw/zinc/03/29/23/363032923.db2.gz KTSHRPVHWAMLBO-GFCCVEGCSA-N 1 1 266.341 1.254 40 0 CDABMO OC[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019405933 356485154 /nfs/dbraw/zinc/48/51/54/356485154.db2.gz BRFMGIFYRIRRDH-CYBMUJFWSA-N 1 1 284.363 1.743 40 0 CDABMO O=S1(=O)C[C@H](Nc2ccccc2)[C@@H]([NH+]2CCCCC2)C1 ZINC000033662844 356805299 /nfs/dbraw/zinc/80/52/99/356805299.db2.gz SVNYESGPIOVCGU-GJZGRUSLSA-N 1 1 294.420 1.750 40 0 CDABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(C)=O ZINC000067068607 357592979 /nfs/dbraw/zinc/59/29/79/357592979.db2.gz FQDVVBKNIFUQFH-UHFFFAOYSA-N 1 1 291.351 1.041 40 0 CDABMO C[C@@H]1CCCN1C(=O)c1[nH]nc2c1C[N@@H+](CC1CC1)CC2 ZINC000096187414 358715262 /nfs/dbraw/zinc/71/52/62/358715262.db2.gz KUYYWMWOXWKPEM-LLVKDONJSA-N 1 1 288.395 1.802 40 0 CDABMO COC[C@@H]1CCC2(CCN(C(=O)C3CCC3)CC2)[N@H+]1C ZINC000096209336 358721074 /nfs/dbraw/zinc/72/10/74/358721074.db2.gz KJCVVQYWHGJUIR-AWEZNQCLSA-N 1 1 280.412 1.888 40 0 CDABMO CS(=O)(=O)N1CCC[C@]12CCC[N@@H+](CC1CC1)C2 ZINC000096214933 358721181 /nfs/dbraw/zinc/72/11/81/358721181.db2.gz DTRJMHNIZBJPEW-ZDUSSCGKSA-N 1 1 272.414 1.286 40 0 CDABMO O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2O1)N1CCC1 ZINC000096215867 358721406 /nfs/dbraw/zinc/72/14/06/358721406.db2.gz YUVWYTMIBFXKAD-AEGPPILISA-N 1 1 290.363 1.491 40 0 CDABMO COCC[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC000096245303 358725598 /nfs/dbraw/zinc/72/55/98/358725598.db2.gz VNMYKLJWJGRQNS-ZFWWWQNUSA-N 1 1 292.354 1.362 40 0 CDABMO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)c3ccoc3)C2)n1 ZINC000096248962 358726670 /nfs/dbraw/zinc/72/66/70/358726670.db2.gz NTCVQPQKZVLINY-YOEHRIQHSA-N 1 1 297.358 1.987 40 0 CDABMO Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(NC(=O)c3ccoc3)C2)n1 ZINC000096248962 358726674 /nfs/dbraw/zinc/72/66/74/358726674.db2.gz NTCVQPQKZVLINY-YOEHRIQHSA-N 1 1 297.358 1.987 40 0 CDABMO CNC(=O)N1CCC2(CC1)C[N@@H+](C)Cc1cc(F)ccc12 ZINC000096261751 358730327 /nfs/dbraw/zinc/73/03/27/358730327.db2.gz OTKFBUQRSKQWLM-UHFFFAOYSA-N 1 1 291.370 1.944 40 0 CDABMO CN1[C@H]2CC[N@@H+](C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263878 358731020 /nfs/dbraw/zinc/73/10/20/358731020.db2.gz AKIRXLVMFCSEJU-RYUDHWBXSA-N 1 1 296.392 1.162 40 0 CDABMO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000028233029 359493080 /nfs/dbraw/zinc/49/30/80/359493080.db2.gz DZBXGWZQHYIHFT-QMMMGPOBSA-N 1 1 288.273 1.349 40 0 CDABMO O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000028233029 359493082 /nfs/dbraw/zinc/49/30/82/359493082.db2.gz DZBXGWZQHYIHFT-QMMMGPOBSA-N 1 1 288.273 1.349 40 0 CDABMO O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000028233029 359493083 /nfs/dbraw/zinc/49/30/83/359493083.db2.gz DZBXGWZQHYIHFT-QMMMGPOBSA-N 1 1 288.273 1.349 40 0 CDABMO CS[C@H]1CCC[C@@H]1[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000076147576 367003084 /nfs/dbraw/zinc/00/30/84/367003084.db2.gz KCPWTQJIEKOVMT-RYUDHWBXSA-N 1 1 256.415 1.823 40 0 CDABMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cl)cn2)[C@H](C)C1 ZINC000225425876 374359776 /nfs/dbraw/zinc/35/97/76/374359776.db2.gz SFXBFZQYRJGMHY-MNOVXSKESA-N 1 1 297.786 1.262 40 0 CDABMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cl)cn2)[C@H](C)C1 ZINC000225425876 374359779 /nfs/dbraw/zinc/35/97/79/374359779.db2.gz SFXBFZQYRJGMHY-MNOVXSKESA-N 1 1 297.786 1.262 40 0 CDABMO C[C@@H]1C[N@H+](CCn2ccnc2)CCN1C(=O)OC(C)(C)C ZINC000131907875 375376946 /nfs/dbraw/zinc/37/69/46/375376946.db2.gz NQHNKHILLJEQLQ-CYBMUJFWSA-N 1 1 294.399 1.824 40 0 CDABMO C[C@@H]1C[N@@H+](CCn2ccnc2)CCN1C(=O)OC(C)(C)C ZINC000131907875 375376953 /nfs/dbraw/zinc/37/69/53/375376953.db2.gz NQHNKHILLJEQLQ-CYBMUJFWSA-N 1 1 294.399 1.824 40 0 CDABMO Cn1cc(CNCC[NH+](C)C)c(C(F)(F)F)n1 ZINC000256049816 190003326 /nfs/dbraw/zinc/00/33/26/190003326.db2.gz BNZYEMWBMLSXRO-UHFFFAOYSA-N 1 1 250.268 1.090 40 0 CDABMO FCCn1nccc1C[NH2+]Cc1ccnn1C(F)F ZINC000256052465 190004320 /nfs/dbraw/zinc/00/43/20/190004320.db2.gz NLHDJCUFXWUUKT-UHFFFAOYSA-N 1 1 273.262 1.734 40 0 CDABMO Cn1cc(C[NH2+]Cc2ccnn2CC(F)(F)F)cn1 ZINC000256052336 190004354 /nfs/dbraw/zinc/00/43/54/190004354.db2.gz MYLXYIOIIWAYTI-UHFFFAOYSA-N 1 1 273.262 1.469 40 0 CDABMO COc1ncc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257216108 190013748 /nfs/dbraw/zinc/01/37/48/190013748.db2.gz CTCXBCORICAKQA-INIZCTEOSA-N 1 1 298.390 1.974 40 0 CDABMO CN(C)c1ncc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000257225593 190015534 /nfs/dbraw/zinc/01/55/34/190015534.db2.gz FGXOYQRMILCGRT-GFCCVEGCSA-N 1 1 272.356 1.255 40 0 CDABMO COc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2CO)cc1OC ZINC000217674245 375703121 /nfs/dbraw/zinc/70/31/21/375703121.db2.gz XHXDOFSAVHGMOV-NEPJUHHUSA-N 1 1 251.326 1.341 40 0 CDABMO CCn1cc(C[N@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257263751 190022743 /nfs/dbraw/zinc/02/27/43/190022743.db2.gz LRHGHAMJOYBGAB-CYBMUJFWSA-N 1 1 259.357 1.924 40 0 CDABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257298216 190028918 /nfs/dbraw/zinc/02/89/18/190028918.db2.gz RKRDSYRNYFEVNQ-AWEZNQCLSA-N 1 1 290.411 1.908 40 0 CDABMO CNc1nccnc1[C@@H]1C[N@@H+](C2CCCC2)CCO1 ZINC000257313875 190031982 /nfs/dbraw/zinc/03/19/82/190031982.db2.gz UULLVUIWODDCAX-LBPRGKRZSA-N 1 1 262.357 1.834 40 0 CDABMO CNc1nccnc1[C@@H]1C[N@H+](C2CCCC2)CCO1 ZINC000257313875 190031983 /nfs/dbraw/zinc/03/19/83/190031983.db2.gz UULLVUIWODDCAX-LBPRGKRZSA-N 1 1 262.357 1.834 40 0 CDABMO Nc1nc2nc([C@H]3CCCC[N@H+]3CCO)ccc2s1 ZINC000257329728 190034597 /nfs/dbraw/zinc/03/45/97/190034597.db2.gz XLGDTUAKGCVVPH-SNVBAGLBSA-N 1 1 278.381 1.793 40 0 CDABMO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](C)C[C@@H]12 ZINC000072395794 285177047 /nfs/dbraw/zinc/17/70/47/285177047.db2.gz NOGKSKVNPKUEDU-CJNGLKHVSA-N 1 1 272.348 1.665 40 0 CDABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000072227664 256703517 /nfs/dbraw/zinc/70/35/17/256703517.db2.gz QACYQZCGXABVHD-HZPDHXFCSA-N 1 1 296.326 1.873 40 0 CDABMO CCN1CCC2(CC[NH+](Cc3nccn3C)CC2)C1=O ZINC000096157724 256813410 /nfs/dbraw/zinc/81/34/10/256813410.db2.gz JXWJHIZVHQQISP-UHFFFAOYSA-N 1 1 276.384 1.255 40 0 CDABMO Cc1cnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1 ZINC000096202660 256822311 /nfs/dbraw/zinc/82/23/11/256822311.db2.gz YFTIWHUFLBDYRA-UHFFFAOYSA-N 1 1 258.369 1.707 40 0 CDABMO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1CC1CC1 ZINC000096060570 390912468 /nfs/dbraw/zinc/91/24/68/390912468.db2.gz ZRJWAHRMVLYISE-CQSZACIVSA-N 1 1 276.384 1.644 40 0 CDABMO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1CC1CC1 ZINC000096060570 390912470 /nfs/dbraw/zinc/91/24/70/390912470.db2.gz ZRJWAHRMVLYISE-CQSZACIVSA-N 1 1 276.384 1.644 40 0 CDABMO CC(C)[N@@H+](Cc1cn(C(C)(C)C)nn1)C[C@@H](C)O ZINC000331161818 391487073 /nfs/dbraw/zinc/48/70/73/391487073.db2.gz KVXRIVWJLDUACP-LLVKDONJSA-N 1 1 254.378 1.624 40 0 CDABMO CC(C)[N@H+](Cc1cn(C(C)(C)C)nn1)C[C@@H](C)O ZINC000331161818 391487076 /nfs/dbraw/zinc/48/70/76/391487076.db2.gz KVXRIVWJLDUACP-LLVKDONJSA-N 1 1 254.378 1.624 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000038859046 174157806 /nfs/dbraw/zinc/15/78/06/174157806.db2.gz CMHNFGJMQXWMQY-UHFFFAOYSA-N 1 1 298.390 1.709 40 0 CDABMO Cc1ccc([C@@]2(O)CC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000072351009 176373442 /nfs/dbraw/zinc/37/34/42/176373442.db2.gz WZBKKKZYALKMFR-OAHLLOKOSA-N 1 1 257.337 1.812 40 0 CDABMO Cc1ccc([C@@]2(O)CC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000072351009 176373444 /nfs/dbraw/zinc/37/34/44/176373444.db2.gz WZBKKKZYALKMFR-OAHLLOKOSA-N 1 1 257.337 1.812 40 0 CDABMO CNC(=O)[C@@H]1C[N@H+](C(C)C)CCN1CCc1ccccc1 ZINC000072368696 176383658 /nfs/dbraw/zinc/38/36/58/176383658.db2.gz NRWONRPQMIBPKN-INIZCTEOSA-N 1 1 289.423 1.370 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccn1C)C2 ZINC000072373676 176384922 /nfs/dbraw/zinc/38/49/22/176384922.db2.gz RMRDOORWEGISLF-UHFFFAOYSA-N 1 1 258.325 1.387 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccn1C)C2 ZINC000072373676 176384923 /nfs/dbraw/zinc/38/49/23/176384923.db2.gz RMRDOORWEGISLF-UHFFFAOYSA-N 1 1 258.325 1.387 40 0 CDABMO COc1ccc(NC(=O)[C@@]2(C)C[N@H+](C)CCO2)cc1 ZINC000072379308 176385791 /nfs/dbraw/zinc/38/57/91/176385791.db2.gz AZAJXWXKVUIEKZ-CQSZACIVSA-N 1 1 264.325 1.354 40 0 CDABMO COc1ccc(NC(=O)[C@@]2(C)C[N@@H+](C)CCO2)cc1 ZINC000072379308 176385793 /nfs/dbraw/zinc/38/57/93/176385793.db2.gz AZAJXWXKVUIEKZ-CQSZACIVSA-N 1 1 264.325 1.354 40 0 CDABMO OCC[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000072381320 176387769 /nfs/dbraw/zinc/38/77/69/176387769.db2.gz PEFAIGUWLIYXCS-QMMMGPOBSA-N 1 1 263.263 1.600 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1CCCc1ccccc1 ZINC000072397586 176394761 /nfs/dbraw/zinc/39/47/61/176394761.db2.gz FRDMDTTUQBHAQV-USXIJHARSA-N 1 1 274.408 1.759 40 0 CDABMO C[C@H]1CN2C[C@H](O)C[C@@H]2C[N@@H+]1CCCc1ccccc1 ZINC000072397586 176394762 /nfs/dbraw/zinc/39/47/62/176394762.db2.gz FRDMDTTUQBHAQV-USXIJHARSA-N 1 1 274.408 1.759 40 0 CDABMO C[C@H]1CN2C[C@H](O)C[C@@H]2C[N@H+]1CCCc1ccccc1 ZINC000072397586 176394763 /nfs/dbraw/zinc/39/47/63/176394763.db2.gz FRDMDTTUQBHAQV-USXIJHARSA-N 1 1 274.408 1.759 40 0 CDABMO CCOc1ccccc1CN1C[C@H]2C[C@@H](O)C[N@H+]2C[C@@H]1C ZINC000072397573 176394906 /nfs/dbraw/zinc/39/49/06/176394906.db2.gz YHFBDIDDXVRNDG-NUEKZKHPSA-N 1 1 290.407 1.725 40 0 CDABMO CN1CC[N@@H+](CC2(O)CCOCC2)C[C@@H]1c1ccccc1 ZINC000257244508 277104400 /nfs/dbraw/zinc/10/44/00/277104400.db2.gz ILQSNAAXONZEOY-MRXNPFEDSA-N 1 1 290.407 1.517 40 0 CDABMO O=C1NCCO[C@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]12 ZINC000096110834 280290521 /nfs/dbraw/zinc/29/05/21/280290521.db2.gz FYGUURZGHDOSSD-KGLIPLIRSA-N 1 1 266.385 1.404 40 0 CDABMO Cc1[nH+]cc(CNc2ccc(N3CCOCC3)cn2)n1C ZINC000574651561 295035174 /nfs/dbraw/zinc/03/51/74/295035174.db2.gz NUXSRCRAOCGQBA-UHFFFAOYSA-N 1 1 287.367 1.572 40 0 CDABMO CC[NH+](CC)CCC[NH2+]Cc1cccc(OCC(=O)[O-])c1 ZINC000062718599 327915546 /nfs/dbraw/zinc/91/55/46/327915546.db2.gz WGGIIAYITXIDPB-UHFFFAOYSA-N 1 1 294.395 1.972 40 0 CDABMO CCc1c(C)nc2ncnn2c1NCCc1[nH+]ccn1C ZINC001515266142 976416673 /nfs/dbraw/zinc/41/66/73/976416673.db2.gz YRMOMQBTVDFOQM-UHFFFAOYSA-N 1 1 285.355 1.383 40 0 CDABMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1scnc1C)C2 ZINC000096038770 185069020 /nfs/dbraw/zinc/06/90/20/185069020.db2.gz MYXWBXPQPSNGCD-TZMCWYRMSA-N 1 1 295.408 1.179 40 0 CDABMO c1cncc(COC[C@@H]2[NH2+]CCc3c2nnn3CC2CC2)c1 ZINC000096045421 185071287 /nfs/dbraw/zinc/07/12/87/185071287.db2.gz ITDQVOKEYCGKND-AWEZNQCLSA-N 1 1 299.378 1.487 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@]2(CO1)CCC[N@@H+](Cc1ccco1)C2 ZINC000096048877 185073562 /nfs/dbraw/zinc/07/35/62/185073562.db2.gz DWKSADKZWDYAEX-GDBMZVCRSA-N 1 1 292.379 1.739 40 0 CDABMO COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccn2)O1 ZINC000096056381 185077866 /nfs/dbraw/zinc/07/78/66/185077866.db2.gz MUPIIAPECUXWLV-RBSFLKMASA-N 1 1 262.353 1.850 40 0 CDABMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1nccn1C ZINC000096081924 185090877 /nfs/dbraw/zinc/09/08/77/185090877.db2.gz DMUYXOFAMKQXTI-LXTVHRRPSA-N 1 1 292.427 1.561 40 0 CDABMO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1nccn1C ZINC000096081924 185090878 /nfs/dbraw/zinc/09/08/78/185090878.db2.gz DMUYXOFAMKQXTI-LXTVHRRPSA-N 1 1 292.427 1.561 40 0 CDABMO Cn1cnc2c1C[C@@H](COc1ncccc1F)[NH2+]C2 ZINC000585094892 342211366 /nfs/dbraw/zinc/21/13/66/342211366.db2.gz SKMIGIDOGAOATI-VIFPVBQESA-N 1 1 262.288 1.048 40 0 CDABMO CCS(=O)(=O)N(C)[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257258249 362581198 /nfs/dbraw/zinc/58/11/98/362581198.db2.gz KSZAVRSQIIWVSK-ZDUSSCGKSA-N 1 1 297.424 1.640 40 0 CDABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C)s2)[C@@H]2CCO[C@@H]21 ZINC000108526750 186221378 /nfs/dbraw/zinc/22/13/78/186221378.db2.gz JYHUQIRDFIHWFD-YNEHKIRRSA-N 1 1 280.393 1.392 40 0 CDABMO C[C@H]1C[C@H](NCc2nncn2-c2ccccc2)CC[N@H+]1C ZINC000152621779 188032821 /nfs/dbraw/zinc/03/28/21/188032821.db2.gz BNZSPDSGMKDABE-UONOGXRCSA-N 1 1 285.395 1.840 40 0 CDABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](O)[C@@H]2COC(=O)c1ccccc1 ZINC000004409180 356030942 /nfs/dbraw/zinc/03/09/42/356030942.db2.gz TXIYBPZUJGKOLX-YJNKXOJESA-N 1 1 275.348 1.687 40 0 CDABMO Cc1[nH+]ccn1CCN(C)C(=O)c1ccc2c(c1)ncn2C ZINC000019718419 356496950 /nfs/dbraw/zinc/49/69/50/356496950.db2.gz ULZRLDMTDBBNCK-UHFFFAOYSA-N 1 1 297.362 1.850 40 0 CDABMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391646 356988152 /nfs/dbraw/zinc/98/81/52/356988152.db2.gz JESLVIJOYXCDQE-OAHLLOKOSA-N 1 1 292.379 1.569 40 0 CDABMO CN(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404136 356989358 /nfs/dbraw/zinc/98/93/58/356989358.db2.gz QHFGUARBQAPOPI-AWEZNQCLSA-N 1 1 261.369 1.068 40 0 CDABMO CN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)CN ZINC000079404136 356989362 /nfs/dbraw/zinc/98/93/62/356989362.db2.gz QHFGUARBQAPOPI-AWEZNQCLSA-N 1 1 261.369 1.068 40 0 CDABMO OCC[N@@H+](Cc1ccnc(Br)c1)C1CC1 ZINC000079421555 356996161 /nfs/dbraw/zinc/99/61/61/356996161.db2.gz GOWQDVTUNRNCOO-UHFFFAOYSA-N 1 1 271.158 1.801 40 0 CDABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000047276233 357154608 /nfs/dbraw/zinc/15/46/08/357154608.db2.gz RFWJRPQLDSBCLG-UHFFFAOYSA-N 1 1 274.364 1.545 40 0 CDABMO CCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276231 357155067 /nfs/dbraw/zinc/15/50/67/357155067.db2.gz FIUMNFAERCXMJR-UHFFFAOYSA-N 1 1 262.353 1.545 40 0 CDABMO O=C(Cc1cccc(Cl)c1)NCCC[NH+]1CCOCC1 ZINC000069367764 357669923 /nfs/dbraw/zinc/66/99/23/357669923.db2.gz LMGVJMZAROGIAI-UHFFFAOYSA-N 1 1 296.798 1.721 40 0 CDABMO CC(=O)N1CC2(C1)C[C@@H](COCc1ccccn1)C[N@@H+]2C ZINC000585093881 358099103 /nfs/dbraw/zinc/09/91/03/358099103.db2.gz MLSVWYLVWFDIAD-CQSZACIVSA-N 1 1 289.379 1.151 40 0 CDABMO CN(C)[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096040574 358706324 /nfs/dbraw/zinc/70/63/24/358706324.db2.gz LIEUKYFFGHJFRR-CFVMTHIKSA-N 1 1 264.369 1.821 40 0 CDABMO CN(C)[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096040574 358706328 /nfs/dbraw/zinc/70/63/28/358706328.db2.gz LIEUKYFFGHJFRR-CFVMTHIKSA-N 1 1 264.369 1.821 40 0 CDABMO c1ccc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)nc1 ZINC000096161575 358710915 /nfs/dbraw/zinc/71/09/15/358710915.db2.gz GZOQDSPPAMRDOG-OKILXGFUSA-N 1 1 281.363 1.440 40 0 CDABMO CS(=O)(=O)N1CCC2(C[NH+](Cc3cccs3)C2)C1 ZINC000096202607 358719114 /nfs/dbraw/zinc/71/91/14/358719114.db2.gz QURJZEZWJWCTFQ-UHFFFAOYSA-N 1 1 286.422 1.215 40 0 CDABMO COCC[N@H+]1CC[C@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096218486 358722165 /nfs/dbraw/zinc/72/21/65/358722165.db2.gz BARYWAMDNKJXDT-HOTGVXAUSA-N 1 1 277.364 1.945 40 0 CDABMO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)c3ccco3)C2)n1 ZINC000096248961 358726919 /nfs/dbraw/zinc/72/69/19/358726919.db2.gz AEXZHBMYQQHGKD-GUYCJALGSA-N 1 1 297.358 1.987 40 0 CDABMO Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(NC(=O)c3ccco3)C2)n1 ZINC000096248961 358726920 /nfs/dbraw/zinc/72/69/20/358726920.db2.gz AEXZHBMYQQHGKD-GUYCJALGSA-N 1 1 297.358 1.987 40 0 CDABMO CC(C)CC[N@H+]1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253129 358727977 /nfs/dbraw/zinc/72/79/77/358727977.db2.gz CDIQOOSQMSMVMP-QLFBSQMISA-N 1 1 280.412 1.791 40 0 CDABMO CC(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)nc1 ZINC000225458284 374437328 /nfs/dbraw/zinc/43/73/28/374437328.db2.gz JALYUSJFNXSZPO-NEPJUHHUSA-N 1 1 277.368 1.176 40 0 CDABMO CC(=O)c1ccc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)nc1 ZINC000225458284 374437330 /nfs/dbraw/zinc/43/73/30/374437330.db2.gz JALYUSJFNXSZPO-NEPJUHHUSA-N 1 1 277.368 1.176 40 0 CDABMO CC(C)COCC[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000225720274 375189812 /nfs/dbraw/zinc/18/98/12/375189812.db2.gz NNBIPYOTTADLRA-AWEZNQCLSA-N 1 1 270.417 1.896 40 0 CDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000217670469 375700459 /nfs/dbraw/zinc/70/04/59/375700459.db2.gz UEVQFQHLXDQCMU-GHMZBOCLSA-N 1 1 263.293 1.234 40 0 CDABMO O[C@@H]1C[N@@H+](CC2CC2)C[C@H]1Oc1cccc(F)c1 ZINC000257239885 190017636 /nfs/dbraw/zinc/01/76/36/190017636.db2.gz HRFOGWQOJBBGCL-ZIAGYGMSSA-N 1 1 251.301 1.660 40 0 CDABMO Cc1cnccc1C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257282995 190026505 /nfs/dbraw/zinc/02/65/05/190026505.db2.gz OWFRRDOETGFLPE-GJZGRUSLSA-N 1 1 262.353 1.506 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2cncn2C)CC[C@@]12CCCO2 ZINC000257296536 190028188 /nfs/dbraw/zinc/02/81/88/190028188.db2.gz RDFUCUIUTYRHKQ-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO CNC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000257304081 190030784 /nfs/dbraw/zinc/03/07/84/190030784.db2.gz SJZGJRKSCZIQHN-CQSZACIVSA-N 1 1 298.390 1.801 40 0 CDABMO CN1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@@H](C(N)=O)C1 ZINC000257313884 190032169 /nfs/dbraw/zinc/03/21/69/190032169.db2.gz UUMQMMWBADQMNU-HNNXBMFYSA-N 1 1 298.390 1.084 40 0 CDABMO C[N@@H+]1CCN(Cc2ccc3ncccc3c2)C[C@@H](C(N)=O)C1 ZINC000257313884 190032170 /nfs/dbraw/zinc/03/21/70/190032170.db2.gz UUMQMMWBADQMNU-HNNXBMFYSA-N 1 1 298.390 1.084 40 0 CDABMO C[N@H+]1CCN(Cc2ccc3ncccc3c2)C[C@@H](C(N)=O)C1 ZINC000257313884 190032171 /nfs/dbraw/zinc/03/21/71/190032171.db2.gz UUMQMMWBADQMNU-HNNXBMFYSA-N 1 1 298.390 1.084 40 0 CDABMO C[N@H+]1CCC[C@@H](c2ccnc(C(=O)NC3CC3)c2)C1 ZINC000257315182 190032865 /nfs/dbraw/zinc/03/28/65/190032865.db2.gz VAGVCNPAKVRPBT-GFCCVEGCSA-N 1 1 259.353 1.783 40 0 CDABMO CC[NH+]1CCN(c2c(N)cc(C(N)=O)cc2Cl)CC1 ZINC000070462680 377035951 /nfs/dbraw/zinc/03/59/51/377035951.db2.gz FWKVWRNLBKLTDO-UHFFFAOYSA-N 1 1 282.775 1.163 40 0 CDABMO COc1ccc([C@H]2C[N@@H+](C)C[C@H]2CO)cc1OC ZINC000242718283 256697746 /nfs/dbraw/zinc/69/77/46/256697746.db2.gz XHXDOFSAVHGMOV-NWDGAFQWSA-N 1 1 251.326 1.341 40 0 CDABMO COCCN1CC[N@@H+]([C@H]2CCOC2)Cc2ccc(C)nc21 ZINC000107779644 390587333 /nfs/dbraw/zinc/58/73/33/390587333.db2.gz ZJDAPAHAGRORSE-HNNXBMFYSA-N 1 1 291.395 1.447 40 0 CDABMO COCCN1CC[N@H+]([C@H]2CCOC2)Cc2ccc(C)nc21 ZINC000107779644 390587340 /nfs/dbraw/zinc/58/73/40/390587340.db2.gz ZJDAPAHAGRORSE-HNNXBMFYSA-N 1 1 291.395 1.447 40 0 CDABMO CCS(=O)(=O)[C@H](CO)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000096525203 390539802 /nfs/dbraw/zinc/53/98/02/390539802.db2.gz CSWJOJYMXIALKI-GHMZBOCLSA-N 1 1 277.773 1.135 40 0 CDABMO CCC(=O)N1CC[C@@H](OC)[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000096108610 390912963 /nfs/dbraw/zinc/91/29/63/390912963.db2.gz REMSGRMJYCWMBG-RRFJBIMHSA-N 1 1 292.379 1.737 40 0 CDABMO COCCC[N@H+]1CCCC12CCN(C(C)=O)CC2 ZINC000096075276 398069528 /nfs/dbraw/zinc/06/95/28/398069528.db2.gz HUEIXDVPSIDMKU-UHFFFAOYSA-N 1 1 254.374 1.500 40 0 CDABMO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCOCC1)C2 ZINC000035590744 172287283 /nfs/dbraw/zinc/28/72/83/172287283.db2.gz HDJZSUCCPSQOJP-KLZNWCGWSA-N 1 1 297.439 1.911 40 0 CDABMO C[C@@H]1Cc2ccccc2N1C[C@]1(O)CCC[N@@H+](C)C1 ZINC000072240971 176348691 /nfs/dbraw/zinc/34/86/91/176348691.db2.gz XHIONXYOTPIENM-CJNGLKHVSA-N 1 1 260.381 1.894 40 0 CDABMO Cc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)o1 ZINC000072397565 176395107 /nfs/dbraw/zinc/39/51/07/176395107.db2.gz LCVHXNSVPJGZNT-CYZMBNFOSA-N 1 1 250.342 1.227 40 0 CDABMO CCC[NH+]1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000072397970 176395597 /nfs/dbraw/zinc/39/55/97/176395597.db2.gz ITRFFXPXAJELBY-UHFFFAOYSA-N 1 1 299.378 1.640 40 0 CDABMO CCC[N@H+]1CCCN(C(=O)c2nccn3ccnc23)CC1 ZINC000077988056 177314608 /nfs/dbraw/zinc/31/46/08/177314608.db2.gz VELHYILNAUGFSP-UHFFFAOYSA-N 1 1 287.367 1.287 40 0 CDABMO CCOc1cc(C(N)=[NH2+])cc(Br)c1O ZINC000228917969 260317128 /nfs/dbraw/zinc/31/71/28/260317128.db2.gz SPAOPYHOMZKWQA-UHFFFAOYSA-N 1 1 259.103 1.837 40 0 CDABMO CC[N@@H+](CCO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391669 279209482 /nfs/dbraw/zinc/20/94/82/279209482.db2.gz ZVVXLQXDMAQQGH-HNNXBMFYSA-N 1 1 292.379 1.712 40 0 CDABMO C[N@H+]1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040050 185068854 /nfs/dbraw/zinc/06/88/54/185068854.db2.gz FWARSUXQPVHYOF-HUUCEWRRSA-N 1 1 262.353 1.961 40 0 CDABMO c1cnc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](CC2CC2)C3)nc1 ZINC000096048400 185072428 /nfs/dbraw/zinc/07/24/28/185072428.db2.gz DGERXOLUBVBWDX-GDBMZVCRSA-N 1 1 288.395 1.922 40 0 CDABMO COC[C@@H]1CCC[C@@]12C[N@@H+](CC1CCOCC1)CCO2 ZINC000096051858 185074746 /nfs/dbraw/zinc/07/47/46/185074746.db2.gz RYPHHTLTHSHJLM-JKSUJKDBSA-N 1 1 283.412 1.931 40 0 CDABMO c1nncn1[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000096073845 185087586 /nfs/dbraw/zinc/08/75/86/185087586.db2.gz OIPNZFOHLDQELK-JKSUJKDBSA-N 1 1 299.378 1.669 40 0 CDABMO CN(C)C(=O)C[N@H+]1C[C@H]2CCCN(Cc3ccoc3)[C@H]2C1 ZINC000096081529 185091536 /nfs/dbraw/zinc/09/15/36/185091536.db2.gz UUZOBMBOMAWISW-CABCVRRESA-N 1 1 291.395 1.264 40 0 CDABMO CN(C)C(=O)CN1C[C@H]2CCC[N@H+](Cc3ccoc3)[C@H]2C1 ZINC000096081529 185091538 /nfs/dbraw/zinc/09/15/38/185091538.db2.gz UUZOBMBOMAWISW-CABCVRRESA-N 1 1 291.395 1.264 40 0 CDABMO CN(C)C(=O)CN1C[C@H]2CCC[N@@H+](Cc3ccoc3)[C@H]2C1 ZINC000096081529 185091540 /nfs/dbraw/zinc/09/15/40/185091540.db2.gz UUZOBMBOMAWISW-CABCVRRESA-N 1 1 291.395 1.264 40 0 CDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)OCc1ccccc1 ZINC000228980728 539088621 /nfs/dbraw/zinc/08/86/21/539088621.db2.gz PFWDUAUMYWDGNJ-OLZOCXBDSA-N 1 1 277.320 1.081 40 0 CDABMO CC[C@H](C)[N@H+]1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099475 342212263 /nfs/dbraw/zinc/21/22/63/342212263.db2.gz MBXKHOHUZYIKIJ-WFASDCNBSA-N 1 1 274.368 1.704 40 0 CDABMO Cc1ccc(OCC2(O)CC[NH+](C3COC3)CC2)c(C)c1 ZINC000585281922 342257985 /nfs/dbraw/zinc/25/79/85/342257985.db2.gz UIMPJUIMNHTAAL-UHFFFAOYSA-N 1 1 291.391 1.908 40 0 CDABMO COCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccco3)CC[C@H]21 ZINC000247840085 362135319 /nfs/dbraw/zinc/13/53/19/362135319.db2.gz KOUAPVKUYYGZHZ-CHWSQXEVSA-N 1 1 278.352 1.462 40 0 CDABMO Cc1nnc2n1[C@H]1C[N@H+](Cc3cccnc3)C[C@H]1CC2 ZINC000019288368 282365826 /nfs/dbraw/zinc/36/58/26/282365826.db2.gz FRLQNCNNAWEIAQ-KGLIPLIRSA-N 1 1 269.352 1.601 40 0 CDABMO O=C(C[C@H]1[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]12)N1CCCC1 ZINC000107745918 186189633 /nfs/dbraw/zinc/18/96/33/186189633.db2.gz IHFCXQMKPAFSSP-MUJYYYPQSA-N 1 1 285.391 1.772 40 0 CDABMO COc1ccccc1C[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108527663 186220775 /nfs/dbraw/zinc/22/07/75/186220775.db2.gz IVKXSHZMECDRTA-HOCLYGCPSA-N 1 1 276.380 1.600 40 0 CDABMO CNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000108530015 186222575 /nfs/dbraw/zinc/22/25/75/186222575.db2.gz CJJZFCXGSMEJIR-HOCLYGCPSA-N 1 1 273.380 1.820 40 0 CDABMO CC(C)(C(N)=O)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000002022550 355958261 /nfs/dbraw/zinc/95/82/61/355958261.db2.gz AKLPHRCLDQKBEQ-UHFFFAOYSA-N 1 1 281.787 1.726 40 0 CDABMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)c1C ZINC000019527293 356490599 /nfs/dbraw/zinc/49/05/99/356490599.db2.gz QGTJQCGDUVDFDI-LBPRGKRZSA-N 1 1 264.373 1.333 40 0 CDABMO C[N@H+](Cc1cccc2cccnc21)[C@H]1CCS(=O)(=O)C1 ZINC000019586477 356492628 /nfs/dbraw/zinc/49/26/28/356492628.db2.gz PQGAXGYJZFXAGL-AWEZNQCLSA-N 1 1 290.388 1.854 40 0 CDABMO C[N@@H+](Cc1cccc2cccnc21)[C@H]1CCS(=O)(=O)C1 ZINC000019586477 356492632 /nfs/dbraw/zinc/49/26/32/356492632.db2.gz PQGAXGYJZFXAGL-AWEZNQCLSA-N 1 1 290.388 1.854 40 0 CDABMO C[N@H+](Cc1cccc2cccnc21)[C@@H]1CCS(=O)(=O)C1 ZINC000019586475 356492701 /nfs/dbraw/zinc/49/27/01/356492701.db2.gz PQGAXGYJZFXAGL-CQSZACIVSA-N 1 1 290.388 1.854 40 0 CDABMO C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCS(=O)(=O)C1 ZINC000019586475 356492704 /nfs/dbraw/zinc/49/27/04/356492704.db2.gz PQGAXGYJZFXAGL-CQSZACIVSA-N 1 1 290.388 1.854 40 0 CDABMO CN(C)C(=O)c1cc2c(nc1N)CC[N@H+](CC1CC1)C2 ZINC000019700612 356496010 /nfs/dbraw/zinc/49/60/10/356496010.db2.gz RTPSBTGKPPNIRI-UHFFFAOYSA-N 1 1 274.368 1.134 40 0 CDABMO CN(C)C(=O)c1cc2c(nc1N)CC[N@@H+](CC1CC1)C2 ZINC000019700612 356496012 /nfs/dbraw/zinc/49/60/12/356496012.db2.gz RTPSBTGKPPNIRI-UHFFFAOYSA-N 1 1 274.368 1.134 40 0 CDABMO CC(C)(C)OC(=O)N(C[C@H]1CC[N@@H+](CCO)C1)C1CC1 ZINC000079408197 356992597 /nfs/dbraw/zinc/99/25/97/356992597.db2.gz PPFICRCNTMBZCF-LBPRGKRZSA-N 1 1 284.400 1.700 40 0 CDABMO C[C@H]1C[N@H+](CCO)CCN1C(=O)OCc1ccccc1 ZINC000079419847 356995104 /nfs/dbraw/zinc/99/51/04/356995104.db2.gz LXIYQIGTEAXZQK-ZDUSSCGKSA-N 1 1 278.352 1.322 40 0 CDABMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)OCc1ccccc1 ZINC000079419847 356995106 /nfs/dbraw/zinc/99/51/06/356995106.db2.gz LXIYQIGTEAXZQK-ZDUSSCGKSA-N 1 1 278.352 1.322 40 0 CDABMO [NH3+]CCCN1CCN(Cc2ccccc2)CCC1=O ZINC000072398102 357832961 /nfs/dbraw/zinc/83/29/61/357832961.db2.gz HHMYGCZDAYDUNI-UHFFFAOYSA-N 1 1 261.369 1.070 40 0 CDABMO CSCC[C@H](C)[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000072666054 358544619 /nfs/dbraw/zinc/54/46/19/358544619.db2.gz AIGZIGFVSBFLBY-RWMBFGLXSA-N 1 1 288.457 1.696 40 0 CDABMO CCS(=O)(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096049307 358707190 /nfs/dbraw/zinc/70/71/90/358707190.db2.gz LJZSHLDLKBSBRU-UHFFFAOYSA-N 1 1 286.441 1.677 40 0 CDABMO CN(C)[C@@H]1COC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000096185720 358714186 /nfs/dbraw/zinc/71/41/86/358714186.db2.gz UHKAYCGIZRZTQR-HRCADAONSA-N 1 1 260.381 1.695 40 0 CDABMO CCO[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@H]1Cc1ccccc1 ZINC000096200402 358718605 /nfs/dbraw/zinc/71/86/05/358718605.db2.gz MOQUYTTVTHBJNW-HOTGVXAUSA-N 1 1 290.407 1.797 40 0 CDABMO c1cnn(Cc2nnc3n2CCC[N@H+](CC2CC2)C3)c1 ZINC000096259657 358729626 /nfs/dbraw/zinc/72/96/26/358729626.db2.gz JSCOYWPJIAMGEV-UHFFFAOYSA-N 1 1 272.356 1.139 40 0 CDABMO O=S1(=O)C=C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000082343727 359770598 /nfs/dbraw/zinc/77/05/98/359770598.db2.gz DFLQOAFWTDGPBI-NSHDSACASA-N 1 1 257.742 1.740 40 0 CDABMO CNC(=O)c1ccc(C[N@@H+](C)CC[C@@H](C)O)cc1 ZINC000075782313 360464142 /nfs/dbraw/zinc/46/41/42/360464142.db2.gz UDNBUWCORHYSOU-LLVKDONJSA-N 1 1 250.342 1.249 40 0 CDABMO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000225599855 375170392 /nfs/dbraw/zinc/17/03/92/375170392.db2.gz MFMQUBZPKOGKQK-AAEUAGOBSA-N 1 1 254.374 1.090 40 0 CDABMO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000225599855 375170398 /nfs/dbraw/zinc/17/03/98/375170398.db2.gz MFMQUBZPKOGKQK-AAEUAGOBSA-N 1 1 254.374 1.090 40 0 CDABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000072227365 390626062 /nfs/dbraw/zinc/62/60/62/390626062.db2.gz NZHJLUDLENUZJT-CABCVRRESA-N 1 1 282.299 1.831 40 0 CDABMO CO[C@H]1CCN(C(C)=O)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096109486 390912972 /nfs/dbraw/zinc/91/29/72/390912972.db2.gz MFYKBMBQZHAKGG-XHSDSOJGSA-N 1 1 289.379 1.149 40 0 CDABMO Cc1nc(N2CCOCC2)nc2c1C[N@@H+](CC1CC1)CC2 ZINC000096253885 390913497 /nfs/dbraw/zinc/91/34/97/390913497.db2.gz UAIKKXCCTQTCHN-UHFFFAOYSA-N 1 1 288.395 1.390 40 0 CDABMO Nc1cc(Cl)ccc1NC(=O)C[NH+]1CCCC1 ZINC000008732434 170351699 /nfs/dbraw/zinc/35/16/99/170351699.db2.gz RZARHSUHAWUPIS-UHFFFAOYSA-N 1 1 253.733 1.957 40 0 CDABMO C[NH+]1CCN(CC(=O)N[C@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)CC1 ZINC000022587103 171393180 /nfs/dbraw/zinc/39/31/80/171393180.db2.gz XPFLSDZPNQYQTE-JJRVBVJISA-N 1 1 293.455 1.565 40 0 CDABMO COCC(=O)N1CCC[C@H](Cn2cc[nH+]c2C)C1 ZINC000072357132 176376111 /nfs/dbraw/zinc/37/61/11/176376111.db2.gz CDYRXSHAYMAWKK-GFCCVEGCSA-N 1 1 251.330 1.077 40 0 CDABMO OCC[N@H+]1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000072361627 176377537 /nfs/dbraw/zinc/37/75/37/176377537.db2.gz DINJBUVFGRUTJQ-CYBMUJFWSA-N 1 1 299.378 1.787 40 0 CDABMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000072368534 176383833 /nfs/dbraw/zinc/38/38/33/176383833.db2.gz QQGONMHHJCQLTA-ZDUSSCGKSA-N 1 1 287.367 1.477 40 0 CDABMO NC(=O)C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1 ZINC000072373475 176384760 /nfs/dbraw/zinc/38/47/60/176384760.db2.gz IBMVKVZFQCTKSF-UHFFFAOYSA-N 1 1 262.309 1.080 40 0 CDABMO CNC(=O)c1cc([C@@H]2CCC[N@H+](C(C)C)C2)n[nH]1 ZINC000072380443 176387190 /nfs/dbraw/zinc/38/71/90/176387190.db2.gz HAQUIAJYKYRZRQ-SNVBAGLBSA-N 1 1 250.346 1.357 40 0 CDABMO CNc1ccc(C[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)nn1 ZINC000072387288 176392651 /nfs/dbraw/zinc/39/26/51/176392651.db2.gz SPTTYAJDDNAUEI-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1ccc(C[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)nn1 ZINC000072387288 176392653 /nfs/dbraw/zinc/39/26/53/176392653.db2.gz SPTTYAJDDNAUEI-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1ccc(C[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)nn1 ZINC000072387288 176392654 /nfs/dbraw/zinc/39/26/54/176392654.db2.gz SPTTYAJDDNAUEI-GFCCVEGCSA-N 1 1 286.383 1.696 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1CCCc1ccccc1 ZINC000072397650 176394695 /nfs/dbraw/zinc/39/46/95/176394695.db2.gz FRDMDTTUQBHAQV-DJIMGWMZSA-N 1 1 274.408 1.759 40 0 CDABMO C[C@@H]1CN2C[C@H](O)C[C@@H]2C[N@@H+]1CCCc1ccccc1 ZINC000072397650 176394697 /nfs/dbraw/zinc/39/46/97/176394697.db2.gz FRDMDTTUQBHAQV-DJIMGWMZSA-N 1 1 274.408 1.759 40 0 CDABMO C[C@@H]1CN2C[C@H](O)C[C@@H]2C[N@H+]1CCCc1ccccc1 ZINC000072397650 176394698 /nfs/dbraw/zinc/39/46/98/176394698.db2.gz FRDMDTTUQBHAQV-DJIMGWMZSA-N 1 1 274.408 1.759 40 0 CDABMO CCCCNC(=O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000077356740 177257313 /nfs/dbraw/zinc/25/73/13/177257313.db2.gz SVXVJGGLVUVGKF-UHFFFAOYSA-N 1 1 256.390 1.792 40 0 CDABMO Cc1ncc(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000077957489 177312771 /nfs/dbraw/zinc/31/27/71/177312771.db2.gz MXHYTRMDMIOAFF-LBPRGKRZSA-N 1 1 298.408 1.965 40 0 CDABMO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccco2)N1c1cncnc1 ZINC000096081346 275021025 /nfs/dbraw/zinc/02/10/25/275021025.db2.gz OHUPWUWRLUWPMV-KGLIPLIRSA-N 1 1 284.319 1.449 40 0 CDABMO COc1c2c(cc3c1C[N@@H+](C(C)C)C[C@H]3O)OCO2 ZINC000095611595 277365551 /nfs/dbraw/zinc/36/55/51/277365551.db2.gz KETJNJHLSQRJLW-LLVKDONJSA-N 1 1 265.309 1.681 40 0 CDABMO COc1c2c(cc3c1C[N@H+](C(C)C)C[C@H]3O)OCO2 ZINC000095611595 277365552 /nfs/dbraw/zinc/36/55/52/277365552.db2.gz KETJNJHLSQRJLW-LLVKDONJSA-N 1 1 265.309 1.681 40 0 CDABMO CC(C)C[C@H]1CCCCC[N@H+]1CC(=O)NC(N)=O ZINC000077364607 279204043 /nfs/dbraw/zinc/20/40/43/279204043.db2.gz CMZZTMBVFUOBBT-LLVKDONJSA-N 1 1 255.362 1.472 40 0 CDABMO COCc1cc(N(C)C[C@@H]2CCC[N@H+]2C)ncn1 ZINC000562927251 293217910 /nfs/dbraw/zinc/21/79/10/293217910.db2.gz KISZIGCWDVZGRQ-LBPRGKRZSA-N 1 1 250.346 1.153 40 0 CDABMO COCc1cncc2c1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096059255 185078730 /nfs/dbraw/zinc/07/87/30/185078730.db2.gz NNJBACQPGYOZEY-UHFFFAOYSA-N 1 1 272.352 1.520 40 0 CDABMO COCc1cncc2c1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096059255 185078731 /nfs/dbraw/zinc/07/87/31/185078731.db2.gz NNJBACQPGYOZEY-UHFFFAOYSA-N 1 1 272.352 1.520 40 0 CDABMO O[C@@H]1CC[N@@H+](Cc2ccco2)[C@H]1Cc1cccnc1 ZINC000096061598 185083220 /nfs/dbraw/zinc/08/32/20/185083220.db2.gz VLXBMIWDEHXYOR-LSDHHAIUSA-N 1 1 258.321 1.853 40 0 CDABMO Cn1ccc(C(=O)N2CC[C@@]3(CC[N@H+]3CC3CC3)C2)n1 ZINC000096075994 185090185 /nfs/dbraw/zinc/09/01/85/185090185.db2.gz JPDXZLZSIYCSJI-OAHLLOKOSA-N 1 1 274.368 1.121 40 0 CDABMO COCC[N@H+]1CC[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000096075962 185090364 /nfs/dbraw/zinc/09/03/64/185090364.db2.gz XBFRTFIFUGDROR-HNNXBMFYSA-N 1 1 266.385 1.500 40 0 CDABMO O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccccn2)N1c1cncnc1 ZINC000096081351 185091566 /nfs/dbraw/zinc/09/15/66/185091566.db2.gz XJBGVXAKVUSHQZ-GJZGRUSLSA-N 1 1 295.346 1.251 40 0 CDABMO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CN(C)C3=O)C2)s1 ZINC000585099323 342212105 /nfs/dbraw/zinc/21/21/05/342212105.db2.gz DYKRKFKSFAQHJV-AWEZNQCLSA-N 1 1 279.409 1.814 40 0 CDABMO COCC[N@H+]1CCC[C@](O)(COc2ccc(C)cc2)C1 ZINC000585268910 342254463 /nfs/dbraw/zinc/25/44/63/342254463.db2.gz DFIVNKXMAFPZKG-MRXNPFEDSA-N 1 1 279.380 1.847 40 0 CDABMO Cn1cnc2c1[C@H](C(=O)N1CC=CC1)C[N@@H+](C1CCC1)C2 ZINC000248025196 362144624 /nfs/dbraw/zinc/14/46/24/362144624.db2.gz JIIWEJCHFIMZQZ-CYBMUJFWSA-N 1 1 286.379 1.270 40 0 CDABMO Cn1cnc2c1[C@H](C(=O)N1CC=CC1)C[N@H+](C1CCC1)C2 ZINC000248025196 362144628 /nfs/dbraw/zinc/14/46/28/362144628.db2.gz JIIWEJCHFIMZQZ-CYBMUJFWSA-N 1 1 286.379 1.270 40 0 CDABMO C[NH+]1CC2(C1)C[C@@H](CCOCC(=O)N1CCCC1)CCO2 ZINC000248023435 362145777 /nfs/dbraw/zinc/14/57/77/362145777.db2.gz KFNASYXTLXMHRV-AWEZNQCLSA-N 1 1 296.411 1.126 40 0 CDABMO O=C(c1ccco1)N1CC[N@H+]2C[C@@H](OCC3CC3)C[C@H]2C1 ZINC000107746674 186189483 /nfs/dbraw/zinc/18/94/83/186189483.db2.gz IAXBEFAQFSYVPF-KBPBESRZSA-N 1 1 290.363 1.605 40 0 CDABMO COc1ccc(C[N@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000108531329 186221712 /nfs/dbraw/zinc/22/17/12/186221712.db2.gz ULIQMUFEQUMSEN-HOTGVXAUSA-N 1 1 276.380 1.600 40 0 CDABMO CNC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000108535037 186221910 /nfs/dbraw/zinc/22/19/10/186221910.db2.gz WWXJGNFSFMFEPB-UKRRQHHQSA-N 1 1 276.384 1.158 40 0 CDABMO CCN1C[C@H]([NH2+][C@H](C)c2cc3n(n2)CCC3)CC1=O ZINC000333948646 363255729 /nfs/dbraw/zinc/25/57/29/363255729.db2.gz WMTRQLQITOJZLA-GHMZBOCLSA-N 1 1 262.357 1.101 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C)c1 ZINC000004497869 356033178 /nfs/dbraw/zinc/03/31/78/356033178.db2.gz MLRCYIBLWFRYGA-AWEZNQCLSA-N 1 1 289.379 1.534 40 0 CDABMO C[C@@H]1C[N@H+](CCOc2ccccc2)[C@@H](C)CN1CCO ZINC000019365090 356483018 /nfs/dbraw/zinc/48/30/18/356483018.db2.gz CERXAIIVWSSCFY-CABCVRRESA-N 1 1 278.396 1.452 40 0 CDABMO C[C@@H]1C[N@@H+](CCOc2ccccc2)[C@@H](C)CN1CCO ZINC000019365090 356483021 /nfs/dbraw/zinc/48/30/21/356483021.db2.gz CERXAIIVWSSCFY-CABCVRRESA-N 1 1 278.396 1.452 40 0 CDABMO CC[C@H](OC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000034930193 356824460 /nfs/dbraw/zinc/82/44/60/356824460.db2.gz GVESYJYZESSUIU-CVEARBPZSA-N 1 1 279.380 1.847 40 0 CDABMO CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404227 356989570 /nfs/dbraw/zinc/98/95/70/356989570.db2.gz FBTPCJVPZGJPPR-INIZCTEOSA-N 1 1 289.423 1.706 40 0 CDABMO NC(=O)NC(=O)CC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000060041751 357438947 /nfs/dbraw/zinc/43/89/47/357438947.db2.gz POSJYFMZRHSNCG-UHFFFAOYSA-N 1 1 289.379 1.874 40 0 CDABMO C[NH+]1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000060866120 357445871 /nfs/dbraw/zinc/44/58/71/357445871.db2.gz FVQMXMUMFPFTRE-UHFFFAOYSA-N 1 1 250.317 1.532 40 0 CDABMO C[N@@H+]1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1c1ccccc1 ZINC000062259362 357472273 /nfs/dbraw/zinc/47/22/73/357472273.db2.gz WESJKXWIWXJXJE-HNNXBMFYSA-N 1 1 297.358 1.504 40 0 CDABMO C[N@H+]1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1c1ccccc1 ZINC000062259362 357472276 /nfs/dbraw/zinc/47/22/76/357472276.db2.gz WESJKXWIWXJXJE-HNNXBMFYSA-N 1 1 297.358 1.504 40 0 CDABMO CCOC[C@@H]1C[N@@H+](C)C2(CN(C(=O)c3ccncc3)C2)C1 ZINC000585093793 358099179 /nfs/dbraw/zinc/09/91/79/358099179.db2.gz GFFFENYKUBYTGP-ZDUSSCGKSA-N 1 1 289.379 1.264 40 0 CDABMO Cc1ccccc1C(=O)N1CC2(C1)C[C@H](CO)C[N@@H+]2C ZINC000585093989 358099898 /nfs/dbraw/zinc/09/98/98/358099898.db2.gz WONQYENQIOPEKO-ZDUSSCGKSA-N 1 1 274.364 1.134 40 0 CDABMO Cc1cccc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000023230531 358371771 /nfs/dbraw/zinc/37/17/71/358371771.db2.gz WRRZGGPVQRQSAH-RBSFLKMASA-N 1 1 279.380 1.844 40 0 CDABMO c1cnc(N2CC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)nc1 ZINC000096062519 358707065 /nfs/dbraw/zinc/70/70/65/358707065.db2.gz IXVGQSHXQZQIDI-MRXNPFEDSA-N 1 1 288.395 1.415 40 0 CDABMO c1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)CCO[C@@H]3C2)nc1 ZINC000096207292 358720095 /nfs/dbraw/zinc/72/00/95/358720095.db2.gz ZQNSZYRDUMRWFU-DOTOQJQBSA-N 1 1 287.407 1.624 40 0 CDABMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000096215228 358721284 /nfs/dbraw/zinc/72/12/84/358721284.db2.gz RVNWPTBSTOMODB-CYBMUJFWSA-N 1 1 265.382 1.701 40 0 CDABMO O=C1[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CN1c1cccnc1 ZINC000096245178 358725379 /nfs/dbraw/zinc/72/53/79/358725379.db2.gz KGYSCHPUBQWCGN-BBRMVZONSA-N 1 1 294.358 1.571 40 0 CDABMO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3C(C)C)n1 ZINC000096245752 358725426 /nfs/dbraw/zinc/72/54/26/358725426.db2.gz ZMQNNQXKYCQABV-CABCVRRESA-N 1 1 273.380 1.974 40 0 CDABMO Cc1nc(CN2CCO[C@H]3C[N@H+](C(C)C)C[C@H]32)cs1 ZINC000096248778 358726579 /nfs/dbraw/zinc/72/65/79/358726579.db2.gz ZNUZKASKQQOQJH-KGLIPLIRSA-N 1 1 281.425 1.745 40 0 CDABMO COc1ncnc2c1CC[N@@H+](Cc1cccnc1)CC2 ZINC000096255565 358728554 /nfs/dbraw/zinc/72/85/54/358728554.db2.gz FVAFKEJIKHLAEX-UHFFFAOYSA-N 1 1 270.336 1.481 40 0 CDABMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccsn2)CCCO1 ZINC000296937396 200040219 /nfs/dbraw/zinc/04/02/19/200040219.db2.gz XIFSDKZICIMZGG-NSHDSACASA-N 1 1 283.397 1.374 40 0 CDABMO COC(=O)CC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000063996205 360088571 /nfs/dbraw/zinc/08/85/71/360088571.db2.gz QXFXTFUTWXACJK-UHFFFAOYSA-N 1 1 280.343 1.506 40 0 CDABMO CC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)CCN2C(C)(C)C1 ZINC000253401988 373691029 /nfs/dbraw/zinc/69/10/29/373691029.db2.gz NVDLTKYJOURYDF-AWEZNQCLSA-N 1 1 265.401 1.023 40 0 biogenic,in-vitro CDABMO OC[C@H]1C[C@H](O)C[N@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000225400247 374286653 /nfs/dbraw/zinc/28/66/53/374286653.db2.gz ZGRRBGYRSBKYBW-ZJUUUORDSA-N 1 1 289.734 1.285 40 0 CDABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306130471 374968295 /nfs/dbraw/zinc/96/82/95/374968295.db2.gz JHKGJFIQZQPKEW-GFCCVEGCSA-N 1 1 250.342 1.623 40 0 CDABMO O=C(c1ccc2c(c1)OCO2)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932874 375162942 /nfs/dbraw/zinc/16/29/42/375162942.db2.gz IFOPIPXPEHXBCY-GFCCVEGCSA-N 1 1 274.320 1.336 40 0 CDABMO C[C@H](Cc1ccccc1)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000132264111 375429824 /nfs/dbraw/zinc/42/98/24/375429824.db2.gz AWVJPKFHLGAVTO-OCCSQVGLSA-N 1 1 262.353 1.051 40 0 CDABMO C[C@@H](Cc1ccccc1)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000132265233 375429940 /nfs/dbraw/zinc/42/99/40/375429940.db2.gz KGMFQPSWOHKWCD-AWEZNQCLSA-N 1 1 275.396 1.952 40 0 CDABMO CCn1nc(C)c(C[NH2+]Cc2cnn(CCF)c2)c1F ZINC000256049706 190002467 /nfs/dbraw/zinc/00/24/67/190002467.db2.gz BBHWJNSSULRGCH-UHFFFAOYSA-N 1 1 283.326 1.806 40 0 CDABMO CCn1cc(C[NH2+]Cc2ccnn2C(F)F)cn1 ZINC000256053903 190004671 /nfs/dbraw/zinc/00/46/71/190004671.db2.gz UCKXRMFGVBUIFD-UHFFFAOYSA-N 1 1 255.272 1.784 40 0 CDABMO Cc1cc(C(=O)NCc2c[nH]c([C@@H]3CC[N@H+](C)C3)n2)no1 ZINC000257225611 190015723 /nfs/dbraw/zinc/01/57/23/190015723.db2.gz FGZOBJLIAXLURD-SNVBAGLBSA-N 1 1 289.339 1.055 40 0 CDABMO Cc1cc(C(=O)NCc2cnc([C@@H]3CC[N@@H+](C)C3)[nH]2)no1 ZINC000257225611 190015724 /nfs/dbraw/zinc/01/57/24/190015724.db2.gz FGZOBJLIAXLURD-SNVBAGLBSA-N 1 1 289.339 1.055 40 0 CDABMO Cc1cc(C(=O)NCc2cnc([C@@H]3CC[N@H+](C)C3)[nH]2)no1 ZINC000257225611 190015725 /nfs/dbraw/zinc/01/57/25/190015725.db2.gz FGZOBJLIAXLURD-SNVBAGLBSA-N 1 1 289.339 1.055 40 0 CDABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cccn1C ZINC000257231001 190015953 /nfs/dbraw/zinc/01/59/53/190015953.db2.gz GETVBIVJPWZDEW-HNNXBMFYSA-N 1 1 299.374 1.820 40 0 CDABMO CNC(=O)[C@@H]1CN(Cc2cccc(Cl)c2)CC[N@@H+](C)C1 ZINC000257223829 190014826 /nfs/dbraw/zinc/01/48/26/190014826.db2.gz DZBYOBIWWAKSQB-ZDUSSCGKSA-N 1 1 295.814 1.450 40 0 CDABMO Cc1cncc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257332984 190035652 /nfs/dbraw/zinc/03/56/52/190035652.db2.gz XZNZYVJBFYGIKR-GFCCVEGCSA-N 1 1 257.341 1.888 40 0 CDABMO Cc1cncc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257332984 190035653 /nfs/dbraw/zinc/03/56/53/190035653.db2.gz XZNZYVJBFYGIKR-GFCCVEGCSA-N 1 1 257.341 1.888 40 0 CDABMO C[NH+]1CCN(c2ncc(NC(=O)C3CCCC3)cn2)CC1 ZINC000224250992 376317073 /nfs/dbraw/zinc/31/70/73/376317073.db2.gz WPSCQZMPRQXWBP-UHFFFAOYSA-N 1 1 289.383 1.357 40 0 CDABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1ccc(Br)cc1 ZINC000096525997 256730655 /nfs/dbraw/zinc/73/06/55/256730655.db2.gz QJALUGOGYBCIFM-NXEZZACHSA-N 1 1 269.142 1.680 40 0 CDABMO COC[C@H]1CNC(=O)[C@@H]2CC[N@@H+](Cc3ccco3)CC[C@H]12 ZINC000097953624 390442871 /nfs/dbraw/zinc/44/28/71/390442871.db2.gz KTZCJBFZKFGJAM-BPLDGKMQSA-N 1 1 292.379 1.500 40 0 CDABMO CC(=O)N1CCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1C ZINC000072219618 390623288 /nfs/dbraw/zinc/62/32/88/390623288.db2.gz QSRSOMJHNKXPBD-HNNXBMFYSA-N 1 1 289.379 1.910 40 0 CDABMO Cc1cc([C@@H]2[NH2+]CCc3cc4c(cc32)OCO4)on1 ZINC000072398460 390628374 /nfs/dbraw/zinc/62/83/74/390628374.db2.gz YZNVDIPFQVESBJ-CQSZACIVSA-N 1 1 258.277 1.947 40 0 CDABMO CC(C)CC[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2C ZINC000306123446 392105140 /nfs/dbraw/zinc/10/51/40/392105140.db2.gz ANEFRZGDMJIKNJ-KGLIPLIRSA-N 1 1 261.369 1.845 40 0 CDABMO COc1ccc(CNCC[NH+](C)C)c(OC)c1OC ZINC000020215546 171078220 /nfs/dbraw/zinc/07/82/20/171078220.db2.gz MWIPBVZPSGNZCT-UHFFFAOYSA-N 1 1 268.357 1.364 40 0 CDABMO CC[N@H+]1CCC[C@](O)(CNCc2ccc3c(c2)OCO3)C1 ZINC000046087457 175391702 /nfs/dbraw/zinc/39/17/02/175391702.db2.gz WXKCFHMOMCMXJD-INIZCTEOSA-N 1 1 292.379 1.352 40 0 CDABMO COc1ccc(C(=O)N(C)CCn2cc[nH+]c2C)cn1 ZINC000072398507 176397009 /nfs/dbraw/zinc/39/70/09/176397009.db2.gz VZUJXILVWTZXRQ-UHFFFAOYSA-N 1 1 274.324 1.367 40 0 CDABMO CC(C)Nc1ncc(C[NH2+]Cc2ccccn2)cn1 ZINC000062717640 262302465 /nfs/dbraw/zinc/30/24/65/262302465.db2.gz CIODOJSSTCUZKE-UHFFFAOYSA-N 1 1 257.341 1.982 40 0 CDABMO CNC(=O)c1cnn2c1nccc2[C@@H]1CC[N@H+](C(C)C)C1 ZINC000257281056 277261728 /nfs/dbraw/zinc/26/17/28/277261728.db2.gz ONLAUQVCHPLKBX-LLVKDONJSA-N 1 1 287.367 1.287 40 0 CDABMO CCc1onc(C)c1C[N@H+]1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000931763507 771071350 /nfs/dbraw/zinc/07/13/50/771071350.db2.gz CCRUFYZUCQWCPG-NWDGAFQWSA-N 1 1 277.368 1.741 40 0 CDABMO CCOc1cc([C@H]([NH3+])c2ncn(C)n2)ccc1OC ZINC000095534492 185005561 /nfs/dbraw/zinc/00/55/61/185005561.db2.gz XKNNOJCSLGODHH-LBPRGKRZSA-N 1 1 262.313 1.271 40 0 CDABMO COc1ccc([C@@H]([NH3+])c2nnc(C(C)C)[nH]2)cc1OC ZINC000095533794 185007620 /nfs/dbraw/zinc/00/76/20/185007620.db2.gz DUBBPRAGONAVOF-GFCCVEGCSA-N 1 1 276.340 1.993 40 0 CDABMO CCN(C)c1ncnc2c1CC[N@@H+](Cc1ccncc1)CC2 ZINC000096058798 185078534 /nfs/dbraw/zinc/07/85/34/185078534.db2.gz WPWSZHDTUJEOPV-UHFFFAOYSA-N 1 1 297.406 1.929 40 0 CDABMO O=C1[C@H]2C[N@@H+](CCN3CCCC3)C[C@H]2CN1c1ccccc1 ZINC000096080727 185090748 /nfs/dbraw/zinc/09/07/48/185090748.db2.gz APYVMRXARGALSL-RDJZCZTQSA-N 1 1 299.418 1.677 40 0 CDABMO O=C1[C@H]2CN(CC[NH+]3CCCC3)C[C@H]2CN1c1ccccc1 ZINC000096080727 185090750 /nfs/dbraw/zinc/09/07/50/185090750.db2.gz APYVMRXARGALSL-RDJZCZTQSA-N 1 1 299.418 1.677 40 0 CDABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1ccoc1)CC[C@@H]2OC ZINC000096109418 185099628 /nfs/dbraw/zinc/09/96/28/185099628.db2.gz PBOXMQFQZLQLBT-XHSDSOJGSA-N 1 1 294.395 1.447 40 0 CDABMO Cc1noc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000585110164 342213133 /nfs/dbraw/zinc/21/31/33/342213133.db2.gz RHRRVIRLISAGSH-TXEJJXNPSA-N 1 1 278.356 1.004 40 0 CDABMO C[N@@H+](Cc1cnccn1)[C@H]1CCCN(c2ccccn2)C1 ZINC000585182309 342232717 /nfs/dbraw/zinc/23/27/17/342232717.db2.gz SGOQICKQEWNCPH-HNNXBMFYSA-N 1 1 283.379 1.972 40 0 CDABMO CC1(C)[C@@H]2CC[C@@]1(C)[C@@]([C@@H](C[NH3+])CO)(N1CCOCC1)C2 ZINC000072210473 342272805 /nfs/dbraw/zinc/27/28/05/342272805.db2.gz UIXKQOSLDXLKKT-YALNPMBYSA-N 1 1 296.455 1.471 40 0 CDABMO C[N@@H+]1Cc2cccn2C[C@@H](C(=O)NCc2cccnc2)C1 ZINC000248149790 362154531 /nfs/dbraw/zinc/15/45/31/362154531.db2.gz SWLNAXYLFHIWSB-AWEZNQCLSA-N 1 1 284.363 1.261 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1COc2ccccc2O1 ZINC000052192749 362480672 /nfs/dbraw/zinc/48/06/72/362480672.db2.gz ONYAJAVWYAMBPM-AWEZNQCLSA-N 1 1 287.319 1.148 40 0 CDABMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](C)Cc1ccccc1 ZINC000170084903 362845916 /nfs/dbraw/zinc/84/59/16/362845916.db2.gz KKEDREBDTMFYQW-QEJZJMRPSA-N 1 1 277.364 1.473 40 0 CDABMO COc1ccc(/C=C2\C[N@@H+](C)CC[C@H]2O)c(OC)c1OC ZINC000252483496 350378222 /nfs/dbraw/zinc/37/82/22/350378222.db2.gz FCPUVZDRDDWWNC-CNELAYHGSA-N 1 1 293.363 1.792 40 0 CDABMO Cc1noc(C)c1CN1CC[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC000107800696 186191963 /nfs/dbraw/zinc/19/19/63/186191963.db2.gz NQUOQZQZIHOLRM-GLQYFDAESA-N 1 1 293.411 1.426 40 0 CDABMO CNC(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000108530019 186221799 /nfs/dbraw/zinc/22/17/99/186221799.db2.gz CJJZFCXGSMEJIR-ZBFHGGJFSA-N 1 1 273.380 1.820 40 0 CDABMO CCN1C[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)CC1=O ZINC000333948649 363255789 /nfs/dbraw/zinc/25/57/89/363255789.db2.gz WMTRQLQITOJZLA-WDEREUQCSA-N 1 1 262.357 1.101 40 0 CDABMO C[N@@H+]1CC=C(CNC(=O)c2cnc3ccccc3n2)CC1 ZINC000271872378 191380807 /nfs/dbraw/zinc/38/08/07/191380807.db2.gz LSOXFZSMVMQVKO-UHFFFAOYSA-N 1 1 282.347 1.622 40 0 CDABMO O=C1CCCC(=O)N1[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005382579 356053049 /nfs/dbraw/zinc/05/30/49/356053049.db2.gz RIXNCQKSTKRRRI-NWDGAFQWSA-N 1 1 250.342 1.542 40 0 biogenic,in-vitro CDABMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1nc(C)cc1C ZINC000019527281 356490083 /nfs/dbraw/zinc/49/00/83/356490083.db2.gz KTDKSIMZFIHISB-AWEZNQCLSA-N 1 1 278.400 1.491 40 0 CDABMO C[C@H]1C[C@H](OC[C@H](O)CN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000022588898 356617470 /nfs/dbraw/zinc/61/74/70/356617470.db2.gz YVAWMZJIRZQCSS-XHSDSOJGSA-N 1 1 298.471 1.826 40 0 CDABMO O[C@H](CNc1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000031719551 356768192 /nfs/dbraw/zinc/76/81/92/356768192.db2.gz RGHGAOGQDSBDTB-CYBMUJFWSA-N 1 1 270.760 1.445 40 0 CDABMO O=C(COc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932741 358612422 /nfs/dbraw/zinc/61/24/22/358612422.db2.gz DXGYHRYOWBFUIE-CYBMUJFWSA-N 1 1 260.337 1.372 40 0 CDABMO COc1cc(N2CCC3(CCCC[N@H+]3C)CC2)ncn1 ZINC000096217548 358722377 /nfs/dbraw/zinc/72/23/77/358722377.db2.gz XSBVHCLWMXZLQC-UHFFFAOYSA-N 1 1 276.384 1.940 40 0 CDABMO C[N@H+]1CCOC[C@]2(CCCN(c3nncs3)C2)C1 ZINC000096229336 358723949 /nfs/dbraw/zinc/72/39/49/358723949.db2.gz HGDCSRANUYKBFA-GFCCVEGCSA-N 1 1 268.386 1.087 40 0 CDABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096228871 358724047 /nfs/dbraw/zinc/72/40/47/358724047.db2.gz DWSHPBBWCOAHES-INIZCTEOSA-N 1 1 292.379 1.854 40 0 CDABMO Cn1ccnc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 ZINC000096245159 358724750 /nfs/dbraw/zinc/72/47/50/358724750.db2.gz BKUGKVVPIMQOIS-ZFWWWQNUSA-N 1 1 296.374 1.515 40 0 CDABMO Cn1ccnc1C[N@H+]1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 ZINC000096245159 358724755 /nfs/dbraw/zinc/72/47/55/358724755.db2.gz BKUGKVVPIMQOIS-ZFWWWQNUSA-N 1 1 296.374 1.515 40 0 CDABMO Cc1nc(C)c2c(n1)CC[N@H+](Cc1cncn1C)CC2 ZINC000096254519 358728036 /nfs/dbraw/zinc/72/80/36/358728036.db2.gz IJFDKVQTQZVVFR-UHFFFAOYSA-N 1 1 271.368 1.428 40 0 CDABMO CC[N@@H+]1CCc2onc(CNc3ncccn3)c2C1 ZINC000096259735 358729755 /nfs/dbraw/zinc/72/97/55/358729755.db2.gz ZJZZVTVCUSJQNO-UHFFFAOYSA-N 1 1 259.313 1.455 40 0 CDABMO CC[N@H+]1CCc2onc(CNc3ncccn3)c2C1 ZINC000096259735 358729759 /nfs/dbraw/zinc/72/97/59/358729759.db2.gz ZJZZVTVCUSJQNO-UHFFFAOYSA-N 1 1 259.313 1.455 40 0 CDABMO O=C([C@H]1CCC[N@@H+](C[C@@H]2CO2)C1)N1CCCCC1 ZINC000095097817 366522784 /nfs/dbraw/zinc/52/27/84/366522784.db2.gz PDGPTTPQFVCBMQ-QWHCGFSZSA-N 1 1 252.358 1.110 40 0 CDABMO C[C@H]1CCC[C@H](C)N1C(=O)CN1CC[NH+](C)CC1 ZINC000022585635 359079593 /nfs/dbraw/zinc/07/95/93/359079593.db2.gz ULCMUCMZJIMHJG-STQMWFEESA-N 1 1 253.390 1.023 40 0 CDABMO CN(C)c1cc[nH+]c(N2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000301768083 201183804 /nfs/dbraw/zinc/18/38/04/201183804.db2.gz OLRYHSHQNRNZFE-SNVBAGLBSA-N 1 1 276.262 1.046 40 0 CDABMO CCN1CCN([C@H](C[NH3+])c2ccc(OC)c(OC)c2)CC1 ZINC000019795706 367280634 /nfs/dbraw/zinc/28/06/34/367280634.db2.gz QZBMFDWYLAINFN-CQSZACIVSA-N 1 1 293.411 1.341 40 0 CDABMO C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000225453324 374429174 /nfs/dbraw/zinc/42/91/74/374429174.db2.gz NTYPKJXETYHLKQ-HIFRSBDPSA-N 1 1 276.380 1.913 40 0 CDABMO C[C@H](C(=O)[O-])[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225453324 374429178 /nfs/dbraw/zinc/42/91/78/374429178.db2.gz NTYPKJXETYHLKQ-HIFRSBDPSA-N 1 1 276.380 1.913 40 0 CDABMO C[C@H](C(=O)[O-])[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225453324 374429185 /nfs/dbraw/zinc/42/91/85/374429185.db2.gz NTYPKJXETYHLKQ-HIFRSBDPSA-N 1 1 276.380 1.913 40 0 CDABMO Cc1cnn(C)c1C[NH2+]Cc1cc(C(C)C)nn1C ZINC000256051957 190003475 /nfs/dbraw/zinc/00/34/75/190003475.db2.gz LGTASAZSYWQFRT-UHFFFAOYSA-N 1 1 261.373 1.875 40 0 CDABMO OC1(C[N@H+]2CCC[C@H](c3ccncn3)C2)CCOCC1 ZINC000257273949 190025053 /nfs/dbraw/zinc/02/50/53/190025053.db2.gz NIXGTOCSSUGAHI-ZDUSSCGKSA-N 1 1 277.368 1.198 40 0 CDABMO CCOCCN1CCO[C@@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257297716 190029545 /nfs/dbraw/zinc/02/95/45/190029545.db2.gz RIOKBKNJTXJNDI-OAHLLOKOSA-N 1 1 279.384 1.842 40 0 CDABMO OC1(C[N@@H+]2CCNC[C@H]2c2ccccc2)CCOCC1 ZINC000257332360 190035841 /nfs/dbraw/zinc/03/58/41/190035841.db2.gz XWYPBKRAFAINFA-HNNXBMFYSA-N 1 1 276.380 1.174 40 0 CDABMO OC1(C[N@H+]2CCNC[C@H]2c2ccccc2)CCOCC1 ZINC000257332360 190035842 /nfs/dbraw/zinc/03/58/42/190035842.db2.gz XWYPBKRAFAINFA-HNNXBMFYSA-N 1 1 276.380 1.174 40 0 CDABMO CC[N@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000334824747 377670553 /nfs/dbraw/zinc/67/05/53/377670553.db2.gz MOUUWWAEWODECL-HNNXBMFYSA-N 1 1 258.365 1.612 40 0 CDABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@@H]1CCCCN1C=O ZINC000072219657 390622984 /nfs/dbraw/zinc/62/29/84/390622984.db2.gz KDSVNFJBCSWCEB-HNNXBMFYSA-N 1 1 289.379 1.910 40 0 CDABMO COc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000033325851 391903421 /nfs/dbraw/zinc/90/34/21/391903421.db2.gz CCGHVAGELGVBQD-MCIONIFRSA-N 1 1 295.379 1.544 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](S(C)(=O)=O)[C@H]1c1cccc(F)c1 ZINC000252515722 392797070 /nfs/dbraw/zinc/79/70/70/392797070.db2.gz MZRPQOXAXMZYCU-UPJWGTAASA-N 1 1 287.356 1.070 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@]1([NH3+])COC ZINC000252516028 392798275 /nfs/dbraw/zinc/79/82/75/392798275.db2.gz PHUVZNWYQZQNBN-YNEHKIRRSA-N 1 1 287.356 1.070 40 0 CDABMO CN1CC[NH+](C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022465744 171388600 /nfs/dbraw/zinc/38/86/00/171388600.db2.gz PWONMBSJTNRGNI-MRXNPFEDSA-N 1 1 290.407 1.162 40 0 CDABMO Cc1cc(C(=O)NC(C)C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365638 176381001 /nfs/dbraw/zinc/38/10/01/176381001.db2.gz JKMKQTSXQCYJEQ-LBPRGKRZSA-N 1 1 276.384 1.732 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(Cl)c1 ZINC000072397648 176394852 /nfs/dbraw/zinc/39/48/52/176394852.db2.gz ITXBMAQQUQPOCO-KCPJHIHWSA-N 1 1 280.799 1.979 40 0 CDABMO O=C1N(c2ccccn2)C[C@H]2C[N@H+](CC3CC3)CCN12 ZINC000077266460 177247406 /nfs/dbraw/zinc/24/74/06/177247406.db2.gz DUWHVTWPCLJVGO-CYBMUJFWSA-N 1 1 272.352 1.418 40 0 biogenic,in-vitro CDABMO Cc1nnc([C@@H]2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]3O2)[nH]1 ZINC000096045886 185071104 /nfs/dbraw/zinc/07/11/04/185071104.db2.gz CBWJXUNWTCFDLE-MELADBBJSA-N 1 1 292.383 1.302 40 0 CDABMO Cc1nc([C@@H]2C[C@H]3C[N@H+](CC4CCOCC4)C[C@H]3O2)n[nH]1 ZINC000096045886 185071106 /nfs/dbraw/zinc/07/11/06/185071106.db2.gz CBWJXUNWTCFDLE-MELADBBJSA-N 1 1 292.383 1.302 40 0 CDABMO Cc1nc([C@@H]2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]3O2)n[nH]1 ZINC000096045886 185071107 /nfs/dbraw/zinc/07/11/07/185071107.db2.gz CBWJXUNWTCFDLE-MELADBBJSA-N 1 1 292.383 1.302 40 0 CDABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccncc2)N1c1cccnc1 ZINC000096055707 185076052 /nfs/dbraw/zinc/07/60/52/185076052.db2.gz BASKQVLHKSZTKK-JKSUJKDBSA-N 1 1 294.358 1.856 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096066268 185084211 /nfs/dbraw/zinc/08/42/11/185084211.db2.gz OKFVGCIOKQWXMU-MJBXVCDLSA-N 1 1 294.420 1.816 40 0 CDABMO Cc1cc(C[N@@H+]2CCC[C@]3(CN(C(C)C)C3=O)C2)n(C)n1 ZINC000585099688 342212112 /nfs/dbraw/zinc/21/21/12/342212112.db2.gz XTRYSIITZUFQKK-MRXNPFEDSA-N 1 1 290.411 1.561 40 0 CDABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)c1conc1C)C2 ZINC000585102777 342212580 /nfs/dbraw/zinc/21/25/80/342212580.db2.gz HICDMSUPONHFGG-IUODEOHRSA-N 1 1 293.367 1.023 40 0 CDABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccnc(NC)c1 ZINC000585181462 342232691 /nfs/dbraw/zinc/23/26/91/342232691.db2.gz RVAANDOVTTYJNU-AWEZNQCLSA-N 1 1 290.411 1.551 40 0 CDABMO O=C1CCC(=O)N1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000000035446 344858932 /nfs/dbraw/zinc/85/89/32/344858932.db2.gz GUWLFGRHKJHZOJ-NWDGAFQWSA-N 1 1 266.341 1.332 40 0 CDABMO COCc1ccc([C@@H]2CCC[N@H+]2C[C@@](C)(O)C(C)=O)o1 ZINC000332386901 362500323 /nfs/dbraw/zinc/50/03/23/362500323.db2.gz QCEOFVMKDGVYEC-DZGCQCFKSA-N 1 1 281.352 1.903 40 0 CDABMO CS(=O)(=O)NC1CC2(C1)CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC000108528021 186221201 /nfs/dbraw/zinc/22/12/01/186221201.db2.gz DETIWEGAMRAYFS-NFOMZHRRSA-N 1 1 298.452 1.746 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000012146860 356288882 /nfs/dbraw/zinc/28/88/82/356288882.db2.gz CWVBEJMQFRYEHT-UHFFFAOYSA-N 1 1 296.334 1.407 40 0 CDABMO C[N@H+]1C[C@@H](CO)CC12CN(C(=O)C1=CCCCC1)C2 ZINC000585093829 358098599 /nfs/dbraw/zinc/09/85/99/358098599.db2.gz ICZOCYKNRLBKRF-LBPRGKRZSA-N 1 1 264.369 1.012 40 0 CDABMO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000082332081 358160954 /nfs/dbraw/zinc/16/09/54/358160954.db2.gz YLIGKPBAHZMKCJ-LLVKDONJSA-N 1 1 278.352 1.984 40 0 CDABMO C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCc2cccs2)C1 ZINC000096206143 358719986 /nfs/dbraw/zinc/71/99/86/358719986.db2.gz CTDPNSCLRYVHQP-BNOWGMLFSA-N 1 1 294.420 1.721 40 0 CDABMO C[N@H+]1CCOC[C@@]2(CCCN(c3nncs3)C2)C1 ZINC000096229337 358724231 /nfs/dbraw/zinc/72/42/31/358724231.db2.gz HGDCSRANUYKBFA-LBPRGKRZSA-N 1 1 268.386 1.087 40 0 CDABMO c1nc2c(c(C3CC3)n1)CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096255122 358728612 /nfs/dbraw/zinc/72/86/12/358728612.db2.gz GQHGGXVFUPOSQK-LBPRGKRZSA-N 1 1 273.380 1.791 40 0 CDABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](CCOC)C[C@@H]32)C(=O)N1CC ZINC000096261621 358729477 /nfs/dbraw/zinc/72/94/77/358729477.db2.gz MDIQSAPWXDOTCP-DVOMOZLQSA-N 1 1 293.411 1.384 40 0 CDABMO CCn1cc(C[NH2+]Cc2cn(C)nc2C(F)(F)F)cn1 ZINC000130673306 372357314 /nfs/dbraw/zinc/35/73/14/372357314.db2.gz JJOPSDSQRIHHJR-UHFFFAOYSA-N 1 1 287.289 1.945 40 0 CDABMO COc1ccc(Cl)c(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000225400099 374286606 /nfs/dbraw/zinc/28/66/06/374286606.db2.gz APDWMRDKELUCHH-WDEREUQCSA-N 1 1 271.744 1.276 40 0 CDABMO COc1ccc(Cl)c(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000225400099 374286613 /nfs/dbraw/zinc/28/66/13/374286613.db2.gz APDWMRDKELUCHH-WDEREUQCSA-N 1 1 271.744 1.276 40 0 CDABMO Cc1cccc(COCc2cnc3n2CC[NH2+][C@H]3C)n1 ZINC000306131323 374970369 /nfs/dbraw/zinc/97/03/69/374970369.db2.gz KBWRRSSWIUFYNF-LBPRGKRZSA-N 1 1 272.352 1.968 40 0 CDABMO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)C3(F)CC3)C2)C1 ZINC000306142281 374972759 /nfs/dbraw/zinc/97/27/59/374972759.db2.gz WVKUKCHWKOPDEA-GFCCVEGCSA-N 1 1 284.375 1.448 40 0 CDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)C3(F)CC3)C2)C1 ZINC000306142281 374972766 /nfs/dbraw/zinc/97/27/66/374972766.db2.gz WVKUKCHWKOPDEA-GFCCVEGCSA-N 1 1 284.375 1.448 40 0 CDABMO O=C1C[C@H]([C@H]2CCCC[N@H+]2CCO[C@@H]2CCCCO2)CN1 ZINC000225530983 375161153 /nfs/dbraw/zinc/16/11/53/375161153.db2.gz VVZZJYWKSVYZCZ-SQWLQELKSA-N 1 1 296.411 1.520 40 0 CDABMO Cn1nccc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256051274 190003543 /nfs/dbraw/zinc/00/35/43/190003543.db2.gz IMQMGVFZSGDWSH-UHFFFAOYSA-N 1 1 255.272 1.172 40 0 CDABMO CCn1nc(C)c(C[NH2+]Cc2cn(C)nc2C)c1F ZINC000256051178 190003817 /nfs/dbraw/zinc/00/38/17/190003817.db2.gz IAOQDLHKVVVLOH-UHFFFAOYSA-N 1 1 265.336 1.682 40 0 CDABMO Cc1nn(C)c2nc([C@@]3(C)CCC[N@@H+](CCO)C3)ccc12 ZINC000257205179 190011654 /nfs/dbraw/zinc/01/16/54/190011654.db2.gz AXYWFHVRVNGYSM-INIZCTEOSA-N 1 1 288.395 1.623 40 0 CDABMO Cc1cc(C)nc([C@@H]2C[N@H+](CC3CCOCC3)CCO2)n1 ZINC000257215897 190012936 /nfs/dbraw/zinc/01/29/36/190012936.db2.gz CSCHZNXUQYDHKT-HNNXBMFYSA-N 1 1 291.395 1.893 40 0 CDABMO Cc1cc(C)nc([C@@H]2C[N@@H+](CC3CCOCC3)CCO2)n1 ZINC000257215897 190012937 /nfs/dbraw/zinc/01/29/37/190012937.db2.gz CSCHZNXUQYDHKT-HNNXBMFYSA-N 1 1 291.395 1.893 40 0 CDABMO Cc1n[nH]c(C)c1-c1cnc(C[C@H]2CC[N@H+](C)C2)cn1 ZINC000257212633 190013044 /nfs/dbraw/zinc/01/30/44/190013044.db2.gz CEHDDLFYROJRLC-GFCCVEGCSA-N 1 1 271.368 1.978 40 0 CDABMO C[N@H+]1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257213791 190013302 /nfs/dbraw/zinc/01/33/02/190013302.db2.gz CJBPDSMHBNYUCE-NSHDSACASA-N 1 1 270.340 1.819 40 0 CDABMO CCOCC[N@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257215966 190013925 /nfs/dbraw/zinc/01/39/25/190013925.db2.gz CSLXIODPXKDPTD-ZIAGYGMSSA-N 1 1 269.316 1.286 40 0 CDABMO NC(=O)C1CC[NH+](Cc2ccnc([C@H]3CCCO3)n2)CC1 ZINC000257233644 190016815 /nfs/dbraw/zinc/01/68/15/190016815.db2.gz GQCGUBLSHDOGSA-CYBMUJFWSA-N 1 1 290.367 1.025 40 0 CDABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000257236879 190017573 /nfs/dbraw/zinc/01/75/73/190017573.db2.gz HEDVNPXRPYOCQE-LBPRGKRZSA-N 1 1 276.384 1.734 40 0 CDABMO Cc1nc(C(=O)NC2CC2)cc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257271751 190024126 /nfs/dbraw/zinc/02/41/26/190024126.db2.gz MZRJGFUQTDUEAI-LLVKDONJSA-N 1 1 274.368 1.486 40 0 CDABMO Cc1ncsc1C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257282640 190026147 /nfs/dbraw/zinc/02/61/47/190026147.db2.gz OUPMAQYSPAMUPD-STQMWFEESA-N 1 1 268.382 1.567 40 0 CDABMO Cc1cc(C)nc([C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257290424 190027861 /nfs/dbraw/zinc/02/78/61/190027861.db2.gz QCXGKNFWFKIFLE-AWEZNQCLSA-N 1 1 288.395 1.505 40 0 CDABMO Cc1cc(C)nc([C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257290424 190027862 /nfs/dbraw/zinc/02/78/62/190027862.db2.gz QCXGKNFWFKIFLE-AWEZNQCLSA-N 1 1 288.395 1.505 40 0 CDABMO O=C1CCCN1C[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000257305039 190030416 /nfs/dbraw/zinc/03/04/16/190030416.db2.gz SOEJLQSNCTWCMZ-OAHLLOKOSA-N 1 1 273.380 1.916 40 0 CDABMO Cn1ccnc1C(=O)N1CCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257305691 190031267 /nfs/dbraw/zinc/03/12/67/190031267.db2.gz SRBGOAMZNDFELH-WFASDCNBSA-N 1 1 276.384 1.509 40 0 CDABMO COCc1cc(CC2([NH2+]Cc3ccccc3)COC2)no1 ZINC000067897950 377285665 /nfs/dbraw/zinc/28/56/65/377285665.db2.gz UVCYJIFBZZLMCI-UHFFFAOYSA-N 1 1 288.347 1.922 40 0 biogenic,in-vitro CDABMO CC(C)[N@@H+]1CCc2[nH]c(=O)c(Br)cc2C1 ZINC000096510616 390530347 /nfs/dbraw/zinc/53/03/47/390530347.db2.gz NBKYGETUZBQUNS-UHFFFAOYSA-N 1 1 271.158 1.904 40 0 CDABMO CC(C)[N@H+]1CCc2[nH]c(=O)c(Br)cc2C1 ZINC000096510616 390530350 /nfs/dbraw/zinc/53/03/50/390530350.db2.gz NBKYGETUZBQUNS-UHFFFAOYSA-N 1 1 271.158 1.904 40 0 CDABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096526075 390540766 /nfs/dbraw/zinc/54/07/66/390540766.db2.gz FFVTWRQYJMZTKR-ZJUUUORDSA-N 1 1 258.243 1.936 40 0 CDABMO CN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(Br)cc1 ZINC000072228265 390627111 /nfs/dbraw/zinc/62/71/11/390627111.db2.gz BNTXXYCWNCYPJH-BDAKNGLRSA-N 1 1 255.115 1.290 40 0 CDABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(c1ncccn1)CC2 ZINC000096206508 390913559 /nfs/dbraw/zinc/91/35/59/390913559.db2.gz VXENXUWBSNLJNX-ZDUSSCGKSA-N 1 1 276.384 1.414 40 0 CDABMO COC[C@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O ZINC000242437277 393071680 /nfs/dbraw/zinc/07/16/80/393071680.db2.gz BVYZNJDIDHFNJL-TUAOUCFPSA-N 1 1 289.784 1.194 40 0 CDABMO CC[NH+]1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000047339644 397844217 /nfs/dbraw/zinc/84/42/17/397844217.db2.gz NAMYMMUAOHKTMT-UHFFFAOYSA-N 1 1 264.344 1.922 40 0 CDABMO O=C1N/C(=C\c2ccccc2)C(=O)N1C[NH+]1CCCC1 ZINC000005854827 170147272 /nfs/dbraw/zinc/14/72/72/170147272.db2.gz YWFZGMGVLRPMFC-RAXLEYEMSA-N 1 1 271.320 1.633 40 0 CDABMO COCCNc1nccnc1C[C@H]1CCC[N@@H+](C)CC1 ZINC000072386652 176392002 /nfs/dbraw/zinc/39/20/02/176392002.db2.gz KPRZOJJFDBCNOG-ZDUSSCGKSA-N 1 1 278.400 1.809 40 0 CDABMO COCCNc1nccnc1C[C@@H]1CCC[N@@H+](C)CC1 ZINC000072386653 176392358 /nfs/dbraw/zinc/39/23/58/176392358.db2.gz KPRZOJJFDBCNOG-CYBMUJFWSA-N 1 1 278.400 1.809 40 0 CDABMO COc1cccc(CN2CCO[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC000063527650 278010798 /nfs/dbraw/zinc/01/07/98/278010798.db2.gz GCZJWEOPCPBICK-KRWDZBQOSA-N 1 1 290.407 1.992 40 0 CDABMO COc1ccccc1[C@H]1CN(c2cnccn2)CC[N@@H+]1C ZINC000072366655 278063200 /nfs/dbraw/zinc/06/32/00/278063200.db2.gz DQSSBOLVYRDZGZ-CQSZACIVSA-N 1 1 284.363 1.978 40 0 CDABMO COc1ccccc1[C@H]1CN(c2cnccn2)CC[N@H+]1C ZINC000072366655 278063201 /nfs/dbraw/zinc/06/32/01/278063201.db2.gz DQSSBOLVYRDZGZ-CQSZACIVSA-N 1 1 284.363 1.978 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](CCc3ccccc3)C[C@@H]2O1 ZINC000096043221 185070221 /nfs/dbraw/zinc/07/02/21/185070221.db2.gz FKVIWXOCZQSIDV-XHSDSOJGSA-N 1 1 288.391 1.455 40 0 CDABMO CCn1nnc2c1[C@H](COC)C[N@@H+](CC1CC1)C2 ZINC000096060847 185082422 /nfs/dbraw/zinc/08/24/22/185082422.db2.gz XRAQBQYEJPJKAU-NSHDSACASA-N 1 1 250.346 1.254 40 0 CDABMO COCC(=O)N1CCC[C@@]2(C[C@@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000096075665 185089919 /nfs/dbraw/zinc/08/99/19/185089919.db2.gz HMKYSGSLGKCSAA-XJKSGUPXSA-N 1 1 296.411 1.125 40 0 CDABMO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)no1 ZINC000096110048 185099744 /nfs/dbraw/zinc/09/97/44/185099744.db2.gz VXFYFNORYHWFIR-BXUZGUMPSA-N 1 1 290.323 1.074 40 0 CDABMO Cc1cc(C[N@H+]2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)no1 ZINC000096110048 185099745 /nfs/dbraw/zinc/09/97/45/185099745.db2.gz VXFYFNORYHWFIR-BXUZGUMPSA-N 1 1 290.323 1.074 40 0 CDABMO O[C@H]1C[N@H+](Cc2c[nH]cn2)CC[C@@H]1Cc1ccccc1 ZINC000585277285 342256336 /nfs/dbraw/zinc/25/63/36/342256336.db2.gz HLEWMTPPRXAHSS-ZBFHGGJFSA-N 1 1 271.364 1.835 40 0 CDABMO O[C@H]1C[N@@H+](Cc2c[nH]cn2)CC[C@@H]1Cc1ccccc1 ZINC000585277285 342256337 /nfs/dbraw/zinc/25/63/37/342256337.db2.gz HLEWMTPPRXAHSS-ZBFHGGJFSA-N 1 1 271.364 1.835 40 0 CDABMO O[C@H]1C[N@H+](Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585277285 342256338 /nfs/dbraw/zinc/25/63/38/342256338.db2.gz HLEWMTPPRXAHSS-ZBFHGGJFSA-N 1 1 271.364 1.835 40 0 CDABMO O[C@H]1C[N@@H+](Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585277285 342256339 /nfs/dbraw/zinc/25/63/39/342256339.db2.gz HLEWMTPPRXAHSS-ZBFHGGJFSA-N 1 1 271.364 1.835 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1CC(=O)N(C)C ZINC000585276556 342256430 /nfs/dbraw/zinc/25/64/30/342256430.db2.gz PPJNLIIJWJLLDM-ZFWWWQNUSA-N 1 1 291.395 1.315 40 0 CDABMO Cc1cc[nH+]c(N2CCN(C(=O)CCc3c[nH]cn3)CC2)c1 ZINC000329515858 136379938 /nfs/dbraw/zinc/37/99/38/136379938.db2.gz DHQZANKJFQIUPU-UHFFFAOYSA-N 1 1 299.378 1.395 40 0 CDABMO O=C1NC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CCN12 ZINC000085436142 179063003 /nfs/dbraw/zinc/06/30/03/179063003.db2.gz MDGNVWMPZDQPHT-LBPRGKRZSA-N 1 1 299.296 1.915 40 0 biogenic,in-vitro CDABMO O=C1NC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CCN12 ZINC000085436142 179063005 /nfs/dbraw/zinc/06/30/05/179063005.db2.gz MDGNVWMPZDQPHT-LBPRGKRZSA-N 1 1 299.296 1.915 40 0 biogenic,in-vitro CDABMO O=C1NC[C@H]2C[N@@H+](CCCc3ccccc3)CCN12 ZINC000085436133 179063015 /nfs/dbraw/zinc/06/30/15/179063015.db2.gz FQEQDZVFRYLGCP-AWEZNQCLSA-N 1 1 259.353 1.329 40 0 biogenic,in-vitro CDABMO Cc1ccc(C[N@@H+]2CC[C@@H]([NH+](C)C)C[C@H]2C(=O)[O-])cc1 ZINC000107214425 186163427 /nfs/dbraw/zinc/16/34/27/186163427.db2.gz HQRWHMJJEVALCL-CABCVRRESA-N 1 1 276.380 1.974 40 0 CDABMO c1cc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)ccn1 ZINC000108222870 186207894 /nfs/dbraw/zinc/20/78/94/186207894.db2.gz DABADBDWDFLXAT-SJORKVTESA-N 1 1 287.407 1.767 40 0 CDABMO CN(C)C(=O)NC1CC2(C1)CC[N@@H+](Cc1cncn1C)C2 ZINC000108529844 186221830 /nfs/dbraw/zinc/22/18/30/186221830.db2.gz OHNZHCQIOBCQOF-UHFFFAOYSA-N 1 1 291.399 1.046 40 0 CDABMO CC(C)c1nnc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000074996620 366145198 /nfs/dbraw/zinc/14/51/98/366145198.db2.gz MPQGYLWMXHYOKL-NEPJUHHUSA-N 1 1 264.373 1.862 40 0 CDABMO C[C@H]1C[NH+](C[C@H](O)COc2ccccc2)C[C@H](C)O1 ZINC000034118516 356809890 /nfs/dbraw/zinc/80/98/90/356809890.db2.gz SMXAAYNAUFATPY-IHRRRGAJSA-N 1 1 265.353 1.536 40 0 CDABMO CCN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)CN ZINC000079404188 358068980 /nfs/dbraw/zinc/06/89/80/358068980.db2.gz ZQGIHLJCGMEUGZ-OAHLLOKOSA-N 1 1 275.396 1.458 40 0 CDABMO CCN(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)CN ZINC000079404188 358068981 /nfs/dbraw/zinc/06/89/81/358068981.db2.gz ZQGIHLJCGMEUGZ-OAHLLOKOSA-N 1 1 275.396 1.458 40 0 CDABMO CC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C)CC1 ZINC000019500589 358097263 /nfs/dbraw/zinc/09/72/63/358097263.db2.gz LOAZPRIAAGVZHG-CYBMUJFWSA-N 1 1 278.404 1.487 40 0 CDABMO CCOC[C@@H]1C[N@@H+](C)C2(CN(c3ncccn3)C2)C1 ZINC000585093869 358099190 /nfs/dbraw/zinc/09/91/90/358099190.db2.gz LRKUUONCUUWRLR-LBPRGKRZSA-N 1 1 262.357 1.024 40 0 CDABMO O=C([C@@H]1CO[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2C1)N1CCCO1 ZINC000096058174 358707485 /nfs/dbraw/zinc/70/74/85/358707485.db2.gz AKVXBOOLSGOPSZ-SOUVJXGZSA-N 1 1 294.395 1.287 40 0 CDABMO NC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096161720 358711129 /nfs/dbraw/zinc/71/11/29/358711129.db2.gz AHTWIFJNVSMNIA-TXEJJXNPSA-N 1 1 263.316 1.268 40 0 CDABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](C)[C@@H]2CCCO[C@H]12 ZINC000096185987 358713703 /nfs/dbraw/zinc/71/37/03/358713703.db2.gz GCSWIXZAFFPDKA-MCIONIFRSA-N 1 1 250.342 1.573 40 0 CDABMO COCC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccno1)C2 ZINC000096203229 358718936 /nfs/dbraw/zinc/71/89/36/358718936.db2.gz PEZINMJSHPJKIF-HNNXBMFYSA-N 1 1 293.367 1.392 40 0 CDABMO Cc1cnc(N2CC3(C2)CC[N@H+](Cc2cnn(C)c2)C3)nc1 ZINC000096202671 358719460 /nfs/dbraw/zinc/71/94/60/358719460.db2.gz MMGJBEMKYMUTDB-UHFFFAOYSA-N 1 1 298.394 1.231 40 0 CDABMO CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC000096205920 358719980 /nfs/dbraw/zinc/71/99/80/358719980.db2.gz BYPUIJOPZUZCAZ-GDBMZVCRSA-N 1 1 295.427 1.681 40 0 CDABMO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096216311 358721497 /nfs/dbraw/zinc/72/14/97/358721497.db2.gz IPEDRKSMTRBLCH-DOTOQJQBSA-N 1 1 288.391 1.727 40 0 CDABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)CO)C[C@@H]21 ZINC000096251700 358726648 /nfs/dbraw/zinc/72/66/48/358726648.db2.gz OLSGVSYOBDTJSH-ZOBUZTSGSA-N 1 1 288.391 1.616 40 0 CDABMO COc1ncnc2c1CC[N@@H+](Cc1cccc(C)n1)CC2 ZINC000096255567 358728888 /nfs/dbraw/zinc/72/88/88/358728888.db2.gz KFLGJPJDFKSTKN-UHFFFAOYSA-N 1 1 284.363 1.789 40 0 CDABMO COc1ncnc2c1CC[N@@H+](Cc1ccccn1)CC2 ZINC000096255564 358728920 /nfs/dbraw/zinc/72/89/20/358728920.db2.gz LWLBBUADQVEEBK-UHFFFAOYSA-N 1 1 270.336 1.481 40 0 CDABMO CCOCc1nnc2n1CC[N@H+](Cc1ccsc1)CC2 ZINC000096259192 358728925 /nfs/dbraw/zinc/72/89/25/358728925.db2.gz LXJVKGHGBLWAFH-UHFFFAOYSA-N 1 1 292.408 1.934 40 0 CDABMO C[N@H+]1CCC[C@@]2(CN(C(=O)c3ccncc3)CCO2)C1 ZINC000096268587 358730617 /nfs/dbraw/zinc/73/06/17/358730617.db2.gz IAMGLIMEOVXARE-HNNXBMFYSA-N 1 1 275.352 1.018 40 0 CDABMO COc1cccc(OC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000033293993 359701510 /nfs/dbraw/zinc/70/15/10/359701510.db2.gz NTXXWKAREKTDBY-MCIONIFRSA-N 1 1 295.379 1.544 40 0 CDABMO CN(C)c1ccccc1C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000075714740 359943411 /nfs/dbraw/zinc/94/34/11/359943411.db2.gz WONLKTGALONBHO-CQSZACIVSA-N 1 1 275.396 1.983 40 0 CDABMO CCCC[N@@H+](C)C[C@@H]1OC[C@H](NC(=O)C2CCCC2)[C@H]1O ZINC000514289091 360125495 /nfs/dbraw/zinc/12/54/95/360125495.db2.gz NWUZQBAROQHEHX-SOUVJXGZSA-N 1 1 298.427 1.153 40 0 biogenic,in-vitro CDABMO COC(=O)[C@H]([NH3+])Cc1c[nH]c2c1cccc2Cl ZINC000032303351 364657904 /nfs/dbraw/zinc/65/79/04/364657904.db2.gz WCSCFRDQHOTFSS-SNVBAGLBSA-N 1 1 252.701 1.864 40 0 CDABMO NC(=O)NC(=O)CC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000048579634 373979808 /nfs/dbraw/zinc/97/98/08/373979808.db2.gz ZAUYCBZCMRODJR-UHFFFAOYSA-N 1 1 295.770 1.889 40 0 CDABMO Fc1cccc(-c2nc(CN3CC[NH2+]CC3)n[nH]2)c1 ZINC000064875479 374240970 /nfs/dbraw/zinc/24/09/70/374240970.db2.gz VGJQKQBSLAFFIB-UHFFFAOYSA-N 1 1 261.304 1.016 40 0 CDABMO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)C3(F)CCC3)C2)C1 ZINC000306141755 374972916 /nfs/dbraw/zinc/97/29/16/374972916.db2.gz WFNDWBDTJJGOKV-ZDUSSCGKSA-N 1 1 298.402 1.838 40 0 CDABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)C3(F)CCC3)C2)C1 ZINC000306141755 374972927 /nfs/dbraw/zinc/97/29/27/374972927.db2.gz WFNDWBDTJJGOKV-ZDUSSCGKSA-N 1 1 298.402 1.838 40 0 CDABMO Cn1cccc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256050728 190002982 /nfs/dbraw/zinc/00/29/82/190002982.db2.gz GGMDEUISOOHWNC-UHFFFAOYSA-N 1 1 254.284 1.777 40 0 CDABMO C[N@H+]1CCC[C@H]1c1ccnc(C(=O)NCC2CC2)c1 ZINC000257205128 190011235 /nfs/dbraw/zinc/01/12/35/190011235.db2.gz AXUPWHQQNRFMSN-AWEZNQCLSA-N 1 1 259.353 1.988 40 0 CDABMO CC(C)Oc1ccc([C@@H]2CNCCN2C(=O)CC[NH3+])cc1 ZINC000257209931 190012157 /nfs/dbraw/zinc/01/21/57/190012157.db2.gz BSLUXMSOIIDVPH-HNNXBMFYSA-N 1 1 291.395 1.296 40 0 CDABMO Cc1n[nH]cc1-c1cnc([C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257214573 190012773 /nfs/dbraw/zinc/01/27/73/190012773.db2.gz CMMVWTXJJMXRQO-LLVKDONJSA-N 1 1 257.341 1.984 40 0 CDABMO CC(C)C(=O)N1CC[C@@H](c2nc(C[NH+](C)C)c[nH]2)C1 ZINC000257226656 190015491 /nfs/dbraw/zinc/01/54/91/190015491.db2.gz FLPDNWJPBVHKBS-LLVKDONJSA-N 1 1 264.373 1.443 40 0 CDABMO CC(C)C(=O)N1CC[C@@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257226656 190015492 /nfs/dbraw/zinc/01/54/92/190015492.db2.gz FLPDNWJPBVHKBS-LLVKDONJSA-N 1 1 264.373 1.443 40 0 CDABMO Cc1cc(N)cc([C@H]2CN(Cc3cnn(C)c3)CCO2)[nH+]1 ZINC000257249767 190019944 /nfs/dbraw/zinc/01/99/44/190019944.db2.gz JJRIOTKHDUXUSH-OAHLLOKOSA-N 1 1 287.367 1.279 40 0 CDABMO CNC(=O)C[N@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257273880 190025002 /nfs/dbraw/zinc/02/50/02/190025002.db2.gz NIOSZRZJFKYLQH-ZDUSSCGKSA-N 1 1 283.375 1.845 40 0 CDABMO Cc1cncc(C2CC[NH+](Cc3ccn(C)n3)CC2)n1 ZINC000257298905 190028936 /nfs/dbraw/zinc/02/89/36/190028936.db2.gz RNUFGROAWXZKLK-UHFFFAOYSA-N 1 1 271.368 1.898 40 0 CDABMO OC1(C[N@@H+]2CCNC[C@@H]2c2ccccc2)CCOCC1 ZINC000257332361 190035264 /nfs/dbraw/zinc/03/52/64/190035264.db2.gz XWYPBKRAFAINFA-OAHLLOKOSA-N 1 1 276.380 1.174 40 0 CDABMO OC1(C[N@H+]2CCNC[C@@H]2c2ccccc2)CCOCC1 ZINC000257332361 190035265 /nfs/dbraw/zinc/03/52/65/190035265.db2.gz XWYPBKRAFAINFA-OAHLLOKOSA-N 1 1 276.380 1.174 40 0 CDABMO CS(=O)(=O)[C@@H](CO)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096525109 256730738 /nfs/dbraw/zinc/73/07/38/256730738.db2.gz VLSBBLXMZXMBDE-VHSXEESVSA-N 1 1 298.191 1.399 40 0 CDABMO O=C(C[C@@H]1C[C@H]2C[N@@H+](CC3CC3)C[C@H]2O1)N1CCCCO1 ZINC000096215433 256825667 /nfs/dbraw/zinc/82/56/67/256825667.db2.gz BOSHHIUXRVCKHJ-SOUVJXGZSA-N 1 1 294.395 1.430 40 0 CDABMO CCOC[C@]1([NH3+])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)CC ZINC000242688229 391589327 /nfs/dbraw/zinc/58/93/27/391589327.db2.gz VLLHTZMHRUKFDW-MJBXVCDLSA-N 1 1 283.393 1.321 40 0 CDABMO COC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O ZINC000242688496 391944759 /nfs/dbraw/zinc/94/47/59/391944759.db2.gz VQQPKIRSACCTKV-TUAOUCFPSA-N 1 1 289.784 1.194 40 0 CDABMO Cc1cccc(NC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000022270354 171383526 /nfs/dbraw/zinc/38/35/26/171383526.db2.gz VIDQUAQSNCYXFG-UHFFFAOYSA-N 1 1 294.424 1.399 40 0 CDABMO C[NH2+][C@@H](C(N)=O)c1cc(Br)ccc1OC ZINC000037869832 173815196 /nfs/dbraw/zinc/81/51/96/173815196.db2.gz FUWISXRNFUFADM-SECBINFHSA-N 1 1 273.130 1.204 40 0 CDABMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](O)C1 ZINC000039519490 174169716 /nfs/dbraw/zinc/16/97/16/174169716.db2.gz OTFKJOKCYFMJEP-ONGXEEELSA-N 1 1 283.759 1.519 40 0 CDABMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](O)C1 ZINC000039519490 174169718 /nfs/dbraw/zinc/16/97/18/174169718.db2.gz OTFKJOKCYFMJEP-ONGXEEELSA-N 1 1 283.759 1.519 40 0 CDABMO CC[NH+]1CCN(C(=O)c2cc(N)ccc2N(C)C)CC1 ZINC000040293272 174222314 /nfs/dbraw/zinc/22/23/14/174222314.db2.gz CIQYQJZXIOAVAW-UHFFFAOYSA-N 1 1 276.384 1.113 40 0 CDABMO CCn1nccc1C(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC000072252824 176349921 /nfs/dbraw/zinc/34/99/21/176349921.db2.gz MIARNDTVOWQFAP-UHFFFAOYSA-N 1 1 276.384 1.461 40 0 CDABMO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000072385822 176390640 /nfs/dbraw/zinc/39/06/40/176390640.db2.gz GTRQRVMINLYHBR-ZDUSSCGKSA-N 1 1 272.356 1.520 40 0 CDABMO Cn1cc(C[N@H+]2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000072385822 176390641 /nfs/dbraw/zinc/39/06/41/176390641.db2.gz GTRQRVMINLYHBR-ZDUSSCGKSA-N 1 1 272.356 1.520 40 0 CDABMO Cc1nc(C[N@@H+]2CCC[C@H](Cc3ccc(N)nn3)C2)co1 ZINC000072387337 176392521 /nfs/dbraw/zinc/39/25/21/176392521.db2.gz SLGHXFYDDVBURN-GFCCVEGCSA-N 1 1 287.367 1.810 40 0 CDABMO Cc1nc(C[N@H+]2CCC[C@H](Cc3ccc(N)nn3)C2)co1 ZINC000072387337 176392522 /nfs/dbraw/zinc/39/25/22/176392522.db2.gz SLGHXFYDDVBURN-GFCCVEGCSA-N 1 1 287.367 1.810 40 0 CDABMO CC[N@H+]1CCc2nc(NC[C@H]3CCCO3)ncc2C1 ZINC000072415046 176399151 /nfs/dbraw/zinc/39/91/51/176399151.db2.gz FCNIFPRVILNZLP-GFCCVEGCSA-N 1 1 262.357 1.446 40 0 CDABMO CN1C[C@H]2C[N@@H+](Cc3c[nH]c4ccccc34)CCN2C1=O ZINC000077266760 177247396 /nfs/dbraw/zinc/24/73/96/177247396.db2.gz GGYZJMXQHJJXEU-ZDUSSCGKSA-N 1 1 284.363 1.720 40 0 biogenic,in-vitro CDABMO CS(=O)(=O)CC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000079311562 278105858 /nfs/dbraw/zinc/10/58/58/278105858.db2.gz BWRIVPBADPVLCI-HNNXBMFYSA-N 1 1 297.420 1.403 40 0 CDABMO CS(=O)(=O)CC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000079311562 278105859 /nfs/dbraw/zinc/10/58/59/278105859.db2.gz BWRIVPBADPVLCI-HNNXBMFYSA-N 1 1 297.420 1.403 40 0 CDABMO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(F)cncc1F ZINC000929519113 933244497 /nfs/dbraw/zinc/24/44/97/933244497.db2.gz XNDIVENRMJQIOP-SECBINFHSA-N 1 1 269.295 1.590 40 0 CDABMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1c(F)cncc1F ZINC000929519113 933244503 /nfs/dbraw/zinc/24/45/03/933244503.db2.gz XNDIVENRMJQIOP-SECBINFHSA-N 1 1 269.295 1.590 40 0 CDABMO CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096039319 185069706 /nfs/dbraw/zinc/06/97/06/185069706.db2.gz WPFGANVDWNSCQZ-HZPDHXFCSA-N 1 1 293.411 1.828 40 0 CDABMO CCOC[C@H]1C[N@@H+](CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060095 185081292 /nfs/dbraw/zinc/08/12/92/185081292.db2.gz WLQDSCJRDKSCRH-OAHLLOKOSA-N 1 1 293.411 1.782 40 0 CDABMO O=C(N[C@@H]1C[N@H+](Cc2ccoc2)[C@@H]2CCCO[C@H]12)C1CC1 ZINC000096064563 185083622 /nfs/dbraw/zinc/08/36/22/185083622.db2.gz IALJEWKKIISBCS-RBSFLKMASA-N 1 1 290.363 1.538 40 0 CDABMO O=C(N[C@@H]1C[N@@H+](Cc2ccoc2)[C@@H]2CCCO[C@H]12)C1CC1 ZINC000096064563 185083624 /nfs/dbraw/zinc/08/36/24/185083624.db2.gz IALJEWKKIISBCS-RBSFLKMASA-N 1 1 290.363 1.538 40 0 CDABMO CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096108061 185100133 /nfs/dbraw/zinc/10/01/33/185100133.db2.gz BHQPTAXJMAAYBR-GDBMZVCRSA-N 1 1 292.354 1.505 40 0 CDABMO COc1ccccc1C[N@@H+]1Cc2cncn2CC[C@H]1CO ZINC000585096859 342211809 /nfs/dbraw/zinc/21/18/09/342211809.db2.gz DUBDTDKYZGPVGI-AWEZNQCLSA-N 1 1 287.363 1.659 40 0 CDABMO COc1ccccc1C[N@H+]1Cc2cncn2CC[C@H]1CO ZINC000585096859 342211810 /nfs/dbraw/zinc/21/18/10/342211810.db2.gz DUBDTDKYZGPVGI-AWEZNQCLSA-N 1 1 287.363 1.659 40 0 CDABMO NC(=O)CC[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000585277398 342256402 /nfs/dbraw/zinc/25/64/02/342256402.db2.gz VZNHWOOYGOJBBL-HNNXBMFYSA-N 1 1 262.353 1.279 40 0 CDABMO O=C(C[N@@H+]1CCC[C@]2(CCC(=O)O2)C1)NC1CCCCC1 ZINC000585283557 342258440 /nfs/dbraw/zinc/25/84/40/342258440.db2.gz ANTXOAMUJIBMIM-INIZCTEOSA-N 1 1 294.395 1.607 40 0 CDABMO O=C(C[N@H+]1CCC[C@]2(CCC(=O)O2)C1)NC1CCCCC1 ZINC000585283557 342258441 /nfs/dbraw/zinc/25/84/41/342258441.db2.gz ANTXOAMUJIBMIM-INIZCTEOSA-N 1 1 294.395 1.607 40 0 CDABMO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCOCC1 ZINC000585282565 342258545 /nfs/dbraw/zinc/25/85/45/342258545.db2.gz GZTZKANZWIJTML-KBPBESRZSA-N 1 1 296.411 1.003 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)[C@@H]1O ZINC000585291139 342258883 /nfs/dbraw/zinc/25/88/83/342258883.db2.gz KQZQNDUCLKGAJZ-OAGGEKHMSA-N 1 1 279.380 1.510 40 0 CDABMO COc1ccccc1[C@@H]1CN(c2ccncn2)CC[N@@H+]1C ZINC000257229343 362579364 /nfs/dbraw/zinc/57/93/64/362579364.db2.gz FXSXWEBHNQSENL-AWEZNQCLSA-N 1 1 284.363 1.978 40 0 CDABMO COc1ccccc1[C@@H]1CN(c2ccncn2)CC[N@H+]1C ZINC000257229343 362579367 /nfs/dbraw/zinc/57/93/67/362579367.db2.gz FXSXWEBHNQSENL-AWEZNQCLSA-N 1 1 284.363 1.978 40 0 CDABMO O=C1NC[C@H]2C[N@H+](Cc3ccnc4ccccc34)CCN12 ZINC000085436149 179062898 /nfs/dbraw/zinc/06/28/98/179062898.db2.gz NTFUCROTYCWQKI-ZDUSSCGKSA-N 1 1 282.347 1.444 40 0 biogenic,in-vitro CDABMO O=C1NC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCN12 ZINC000085436149 179062901 /nfs/dbraw/zinc/06/29/01/179062901.db2.gz NTFUCROTYCWQKI-ZDUSSCGKSA-N 1 1 282.347 1.444 40 0 biogenic,in-vitro CDABMO CN(C[C@@H]1CCC[N@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407865 356991410 /nfs/dbraw/zinc/99/14/10/356991410.db2.gz XQZIQWQYQOVKEB-NSHDSACASA-N 1 1 258.362 1.310 40 0 CDABMO CN(C[C@H]1CCC[N@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079410936 356993659 /nfs/dbraw/zinc/99/36/59/356993659.db2.gz WGRPIUODNVOVRW-OAHLLOKOSA-N 1 1 292.379 1.712 40 0 CDABMO OCCN1CC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414339 356994184 /nfs/dbraw/zinc/99/41/84/356994184.db2.gz YMRUNCIESDOUHQ-MRXNPFEDSA-N 1 1 260.381 1.718 40 0 CDABMO OCC[N@@H+]1CC[C@@H](N(Cc2ccccc2)C2CC2)C1 ZINC000079414339 356994189 /nfs/dbraw/zinc/99/41/89/356994189.db2.gz YMRUNCIESDOUHQ-MRXNPFEDSA-N 1 1 260.381 1.718 40 0 CDABMO OCC[N@H+]1CC[C@@H](N(Cc2ccccc2)C2CC2)C1 ZINC000079414339 356994192 /nfs/dbraw/zinc/99/41/92/356994192.db2.gz YMRUNCIESDOUHQ-MRXNPFEDSA-N 1 1 260.381 1.718 40 0 CDABMO Cc1cccnc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000061242407 357449281 /nfs/dbraw/zinc/44/92/81/357449281.db2.gz XQALAFDXMVSTEY-UHFFFAOYSA-N 1 1 294.424 1.399 40 0 CDABMO CCC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](C)CC1 ZINC000019501851 358096851 /nfs/dbraw/zinc/09/68/51/358096851.db2.gz WFRPNEQOTDQBFF-ZDUSSCGKSA-N 1 1 294.447 1.907 40 0 CDABMO CCc1ccc(C(=O)N2CC3(C2)C[C@@H](CO)C[N@H+]3C)cc1 ZINC000585093827 358098978 /nfs/dbraw/zinc/09/89/78/358098978.db2.gz IASUVTCCRLIPSD-CQSZACIVSA-N 1 1 288.391 1.388 40 0 CDABMO c1cnc(N2CC[C@]3(C2)COCC[N@H+](CC2CC2)C3)nc1 ZINC000096062518 358707560 /nfs/dbraw/zinc/70/75/60/358707560.db2.gz IXVGQSHXQZQIDI-INIZCTEOSA-N 1 1 288.395 1.415 40 0 CDABMO Cc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)c1 ZINC000096184510 358714178 /nfs/dbraw/zinc/71/41/78/358714178.db2.gz XSEJLYUQDLZWEU-CABCVRRESA-N 1 1 294.420 1.603 40 0 CDABMO C[N@H+]1CC[C@]2(C1)COCCN(C(=O)Cc1cccs1)C2 ZINC000096201945 358719290 /nfs/dbraw/zinc/71/92/90/358719290.db2.gz ASLODNBODIZTSV-OAHLLOKOSA-N 1 1 294.420 1.471 40 0 CDABMO CS(=O)(=O)N1CCC[C@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096215006 358720901 /nfs/dbraw/zinc/72/09/01/358720901.db2.gz SONYKKZEMFEPHR-AWEZNQCLSA-N 1 1 298.408 1.670 40 0 CDABMO CS(=O)(=O)N1CCC[C@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096215006 358720907 /nfs/dbraw/zinc/72/09/07/358720907.db2.gz SONYKKZEMFEPHR-AWEZNQCLSA-N 1 1 298.408 1.670 40 0 CDABMO CC[N@H+]1CCO[C@@H]2CN(Cc3scnc3C)C[C@@H]2C1 ZINC000096219595 358722453 /nfs/dbraw/zinc/72/24/53/358722453.db2.gz WAKXXDGTDIKCAF-QWHCGFSZSA-N 1 1 281.425 1.604 40 0 CDABMO CO[C@@H]1CC[N@@H+](C)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096220316 358722788 /nfs/dbraw/zinc/72/27/88/358722788.db2.gz ZNLIDARQVRMBQI-BFHYXJOUSA-N 1 1 281.425 1.602 40 0 CDABMO COCCN1CC[C@]2(CCC[N@@H+](Cc3ccoc3)C2)C1=O ZINC000096223953 358723196 /nfs/dbraw/zinc/72/31/96/358723196.db2.gz YKARZTBVCBGXCO-INIZCTEOSA-N 1 1 292.379 1.741 40 0 CDABMO Cc1ccc(CN2CCO[C@]3(C2)COCC[N@H+](C)C3)s1 ZINC000096229376 358723765 /nfs/dbraw/zinc/72/37/65/358723765.db2.gz VIWTYLKVIUDWKX-OAHLLOKOSA-N 1 1 296.436 1.590 40 0 CDABMO O=C1C[C@@]2(CC[N@@H+](Cc3ccco3)C2)CN1c1cncnc1 ZINC000096239198 358724448 /nfs/dbraw/zinc/72/44/48/358724448.db2.gz KMCQCUIYLRBJCF-MRXNPFEDSA-N 1 1 298.346 1.699 40 0 CDABMO c1coc(CN2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)c1 ZINC000096246074 358725743 /nfs/dbraw/zinc/72/57/43/358725743.db2.gz FSGRPDZZEFBKGQ-OFQRWUPVSA-N 1 1 276.380 1.822 40 0 CDABMO COc1cccc(OC)c1/C=C/C(=O)N1CC[NH+](C)CC1 ZINC000409234260 363983033 /nfs/dbraw/zinc/98/30/33/363983033.db2.gz JQRYAZJVSUQFOJ-BQYQJAHWSA-N 1 1 290.363 1.491 40 0 CDABMO C[N@@H+](CCNC(=O)c1cccnc1)Cc1ccccc1 ZINC000053349671 364962597 /nfs/dbraw/zinc/96/25/97/364962597.db2.gz QHKNRKNDUZEXKN-UHFFFAOYSA-N 1 1 269.348 1.943 40 0 CDABMO CN1CC[C@H]([N@H+]2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000075864082 366906223 /nfs/dbraw/zinc/90/62/23/366906223.db2.gz PSLYIYOXMTWNHE-HOTGVXAUSA-N 1 1 288.391 1.756 40 0 CDABMO CCC[N@H+]1CCCC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000079351807 374795411 /nfs/dbraw/zinc/79/54/11/374795411.db2.gz CATMOQWUUWEMTL-CQSZACIVSA-N 1 1 278.400 1.654 40 0 CDABMO COCC[C@H]1CO[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]12 ZINC000306133009 374970614 /nfs/dbraw/zinc/97/06/14/374970614.db2.gz LYSZPFILNOENJD-KKUMJFAQSA-N 1 1 262.353 1.565 40 0 CDABMO c1cnc(O[C@@H]2CCOC3(C[NH+](C4CCC4)C3)C2)cn1 ZINC000253588902 189995092 /nfs/dbraw/zinc/99/50/92/189995092.db2.gz YPLUFCIDECJKTG-CYBMUJFWSA-N 1 1 275.352 1.641 40 0 CDABMO Cc1ncc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000257235429 190017096 /nfs/dbraw/zinc/01/70/96/190017096.db2.gz GXUWHDXJSCVXTK-CYBMUJFWSA-N 1 1 257.341 1.888 40 0 CDABMO NC(=[NH2+])NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000058434350 375759162 /nfs/dbraw/zinc/75/91/62/375759162.db2.gz OLRFHRLDXKDCEF-UHFFFAOYSA-N 1 1 266.776 1.787 40 0 CDABMO CCS(=O)(=O)NCC[NH2+]Cc1cccc(Cl)c1F ZINC000133337501 375759779 /nfs/dbraw/zinc/75/97/79/375759779.db2.gz JACBTYXXALFBIN-UHFFFAOYSA-N 1 1 294.779 1.508 40 0 CDABMO Cc1ncc(C[N@H+]2CCC[C@@H](Cc3nccnc3N)C2)cn1 ZINC000257308964 190031506 /nfs/dbraw/zinc/03/15/06/190031506.db2.gz TYYCFUYEFUUQBH-ZDUSSCGKSA-N 1 1 298.394 1.612 40 0 CDABMO C[C@H](Oc1ncc(Br)cn1)[C@@H]1CC[N@@H+](C)C1 ZINC000096515818 390532604 /nfs/dbraw/zinc/53/26/04/390532604.db2.gz ZRRRAEIZYIQRST-DTWKUNHWSA-N 1 1 286.173 1.958 40 0 CDABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccco1 ZINC000072228206 390626871 /nfs/dbraw/zinc/62/68/71/390626871.db2.gz FBBAATKYZJCIJL-QWHCGFSZSA-N 1 1 260.268 1.830 40 0 CDABMO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000005699859 533324237 /nfs/dbraw/zinc/32/42/37/533324237.db2.gz LLPOLZWFYMWNKH-VVDPLQPHSA-N 1 1 299.370 1.933 40 0 CDABMO CN(C)C(=O)NC[C@H]1CO[C@@H]2C[N@H+](C3CCCC3)C[C@H]12 ZINC000306131977 392106224 /nfs/dbraw/zinc/10/62/24/392106224.db2.gz KUMZTPVPVGKWPZ-IACUBPJLSA-N 1 1 281.400 1.147 40 0 CDABMO COc1cccc([C@H]([NH3+])c2nc(Cn3cccn3)n[nH]2)c1 ZINC000095533556 393150090 /nfs/dbraw/zinc/15/00/90/393150090.db2.gz OCQIGHWFHDDDFG-ZDUSSCGKSA-N 1 1 284.323 1.106 40 0 CDABMO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000350261859 154357026 /nfs/dbraw/zinc/35/70/26/154357026.db2.gz GHDJMMSFAXTLNT-JKSUJKDBSA-N 1 1 284.359 1.676 40 0 CDABMO COc1cc(N)ccc1NC(=O)C[NH+]1CCCCC1 ZINC000008703618 170347815 /nfs/dbraw/zinc/34/78/15/170347815.db2.gz WCHJLBJPKXUFDZ-UHFFFAOYSA-N 1 1 263.341 1.702 40 0 CDABMO CC[C@@H]1[N@@H+](CC2CCOCC2)CCC[C@]12CCC(=O)N2 ZINC000096052409 287312733 /nfs/dbraw/zinc/31/27/33/287312733.db2.gz LDHJBXPZPOBIDR-HOCLYGCPSA-N 1 1 280.412 1.936 40 0 CDABMO O=C1NCC[NH2+][C@H]1Cc1cccc(-c2ccccc2)c1 ZINC000072352880 176374450 /nfs/dbraw/zinc/37/44/50/176374450.db2.gz UHIUCFNEYIDWLL-INIZCTEOSA-N 1 1 266.344 1.984 40 0 CDABMO Cc1nc([C@H]2CCC[N@H+](C(C)C)C2)ncc1C(N)=O ZINC000072351999 176374553 /nfs/dbraw/zinc/37/45/53/176374553.db2.gz ZSNHDLZLOJIRJO-NSHDSACASA-N 1 1 262.357 1.472 40 0 CDABMO OCC[N@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377402 176385563 /nfs/dbraw/zinc/38/55/63/176385563.db2.gz CXQAYBQIKAGLAA-LBPRGKRZSA-N 1 1 286.339 1.139 40 0 CDABMO CCC[NH+]1CCN(C(=O)c2c(C)nn3cccnc23)CC1 ZINC000072398353 176396662 /nfs/dbraw/zinc/39/66/62/176396662.db2.gz HTYPVDKQFCPRES-UHFFFAOYSA-N 1 1 287.367 1.206 40 0 CDABMO COCC[N@@H+]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000078663176 177367678 /nfs/dbraw/zinc/36/76/78/177367678.db2.gz PGUOROYSLNVTFH-CYBMUJFWSA-N 1 1 270.323 1.775 40 0 CDABMO COCC[N@H+]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000078663176 177367679 /nfs/dbraw/zinc/36/76/79/177367679.db2.gz PGUOROYSLNVTFH-CYBMUJFWSA-N 1 1 270.323 1.775 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C[C@H]2O1 ZINC000096058220 277253787 /nfs/dbraw/zinc/25/37/87/277253787.db2.gz CLIXLRIRTYPQKP-NWANDNLSSA-N 1 1 292.354 1.551 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2O1 ZINC000096058220 277253789 /nfs/dbraw/zinc/25/37/89/277253789.db2.gz CLIXLRIRTYPQKP-NWANDNLSSA-N 1 1 292.354 1.551 40 0 CDABMO O=S1(=O)C[C@H](N2CCCCC2)[C@H]1C[NH+]1CCCCC1 ZINC000001721955 280351710 /nfs/dbraw/zinc/35/17/10/280351710.db2.gz UMXQSISCAZISLA-UONOGXRCSA-N 1 1 286.441 1.124 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3scnc3C)C[C@@H]2O1 ZINC000096043224 185069943 /nfs/dbraw/zinc/06/99/43/185069943.db2.gz UJCJXTARYHAWDL-TUAOUCFPSA-N 1 1 295.408 1.177 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3scnc3C)C[C@@H]2O1 ZINC000096043224 185069945 /nfs/dbraw/zinc/06/99/45/185069945.db2.gz UJCJXTARYHAWDL-TUAOUCFPSA-N 1 1 295.408 1.177 40 0 CDABMO COCCN1CC[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1=O ZINC000096054610 185076046 /nfs/dbraw/zinc/07/60/46/185076046.db2.gz CQRSJTKSJPQWRQ-JSGCOSHPSA-N 1 1 294.420 1.675 40 0 CDABMO C[N@H+]1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC000096107574 185100039 /nfs/dbraw/zinc/10/00/39/185100039.db2.gz FNZNYYRHADTYCN-FZMZJTMJSA-N 1 1 266.316 1.853 40 0 CDABMO C[N@@H+]1Cc2cccn2C[C@H](CC(=O)NCC2CC2)C1 ZINC000585099201 342212152 /nfs/dbraw/zinc/21/21/52/342212152.db2.gz UIAICESIJKTZFS-CYBMUJFWSA-N 1 1 261.369 1.466 40 0 CDABMO CC(C)N1C[C@@]2(CCC[N@@H+](C[C@@H]3CCCO3)C2)C1=O ZINC000585099570 342212159 /nfs/dbraw/zinc/21/21/59/342212159.db2.gz QMPQJYRSQSHVIS-ZFWWWQNUSA-N 1 1 266.385 1.498 40 0 CDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)N3CCCC3)C2)C1 ZINC000585103055 342212608 /nfs/dbraw/zinc/21/26/08/342212608.db2.gz ONSQJUZVBCNTRW-CQSZACIVSA-N 1 1 295.427 1.635 40 0 CDABMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccncc2)[C@H](CO)[C@@H]1O ZINC000585295356 342260757 /nfs/dbraw/zinc/26/07/57/342260757.db2.gz WLJLWPLTKPWWIX-KZNAEPCWSA-N 1 1 298.386 1.711 40 0 CDABMO CN(C)C(=O)CO[C@@H]1Cn2cccc2C[N@H+](C2CCC2)C1 ZINC000248053609 362146615 /nfs/dbraw/zinc/14/66/15/362146615.db2.gz XXUGOLJHBWCPDV-OAHLLOKOSA-N 1 1 291.395 1.330 40 0 CDABMO c1cc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@H]3C2)co1 ZINC000253588456 362440164 /nfs/dbraw/zinc/44/01/64/362440164.db2.gz DEOKXVDOAVQACW-JKSUJKDBSA-N 1 1 276.380 1.965 40 0 CDABMO CN1C(=O)CCC[C@@H]2C[N@@H+](Cc3ncc[nH]3)CC[C@H]21 ZINC000257278630 362582619 /nfs/dbraw/zinc/58/26/19/362582619.db2.gz OCZMOQDSRPXFMO-VXGBXAGGSA-N 1 1 262.357 1.243 40 0 CDABMO CN1C(=O)CCC[C@@H]2C[N@H+](Cc3ncc[nH]3)CC[C@H]21 ZINC000257278630 362582625 /nfs/dbraw/zinc/58/26/25/362582625.db2.gz OCZMOQDSRPXFMO-VXGBXAGGSA-N 1 1 262.357 1.243 40 0 CDABMO C1=CC[C@@H]2C[N@H+](CCCN3CCOCC3)C[C@@H]2C1 ZINC000001682896 355947343 /nfs/dbraw/zinc/94/73/43/355947343.db2.gz QPZDDNOFYNQODF-GASCZTMLSA-N 1 1 250.386 1.607 40 0 CDABMO Cc1ccc(-c2cc(=O)[nH]c(N3CC[NH+](C)CC3)n2)cc1 ZINC000009668437 356244041 /nfs/dbraw/zinc/24/40/41/356244041.db2.gz ZFSIEAXFSUYIFZ-UHFFFAOYSA-N 1 1 284.363 1.497 40 0 CDABMO CCN(C(=O)OCc1ccccc1)[C@@H]1CC[N@@H+](CCO)C1 ZINC000079411012 356994214 /nfs/dbraw/zinc/99/42/14/356994214.db2.gz KRNZIZUIDWCTMY-OAHLLOKOSA-N 1 1 292.379 1.712 40 0 CDABMO CCOc1ccccc1OCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000060411203 357664997 /nfs/dbraw/zinc/66/49/97/357664997.db2.gz UGQXXJQKZNJKFQ-CYBMUJFWSA-N 1 1 292.379 1.675 40 0 CDABMO c1csc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)n1 ZINC000096055848 358707090 /nfs/dbraw/zinc/70/70/90/358707090.db2.gz DRIXGNNWUBZQKT-NEPJUHHUSA-N 1 1 287.392 1.786 40 0 CDABMO c1csc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)n1 ZINC000096055848 358707092 /nfs/dbraw/zinc/70/70/92/358707092.db2.gz DRIXGNNWUBZQKT-NEPJUHHUSA-N 1 1 287.392 1.786 40 0 CDABMO c1nc2c(c(N3CCCC3)n1)CC[N@@H+](CC1CC1)CC2 ZINC000096058729 358707587 /nfs/dbraw/zinc/70/75/87/358707587.db2.gz YHJQOGPYMIGFOP-UHFFFAOYSA-N 1 1 272.396 1.887 40 0 CDABMO O=C1C[C@H]2[C@@H](CC[N@H+]2C[C@H]2CCOC2)N1c1ccsc1 ZINC000096184151 358712765 /nfs/dbraw/zinc/71/27/65/358712765.db2.gz YTPHLRILXYOMSB-BNOWGMLFSA-N 1 1 292.404 1.964 40 0 CDABMO CCO[C@@H]1C[C@H]2CN(C(=O)c3ccncc3)CC[N@H+]2C1 ZINC000096183151 358713222 /nfs/dbraw/zinc/71/32/22/358713222.db2.gz CNTMVCKNQBYPGK-UONOGXRCSA-N 1 1 275.352 1.017 40 0 CDABMO CC(C)C[N@H+]1CCc2n[nH]c(C(=O)N3CCCC3)c2C1 ZINC000096187390 358715029 /nfs/dbraw/zinc/71/50/29/358715029.db2.gz NPNRMECJTPKGAH-UHFFFAOYSA-N 1 1 276.384 1.660 40 0 CDABMO COCCN1CC[C@]2(CCC[N@@H+](Cc3ccco3)C2)C1=O ZINC000096223961 358723261 /nfs/dbraw/zinc/72/32/61/358723261.db2.gz DIBVYDVHAQSSLR-INIZCTEOSA-N 1 1 292.379 1.741 40 0 CDABMO CC(C)C[N@H+]1CCO[C@H]2CCN(c3cnccn3)CC[C@@H]21 ZINC000096249250 358726550 /nfs/dbraw/zinc/72/65/50/358726550.db2.gz VDSPLGZYEDORDQ-GJZGRUSLSA-N 1 1 290.411 1.802 40 0 CDABMO COc1ncc(C[N@H+](CCO)Cc2cccs2)cn1 ZINC000013997562 358823825 /nfs/dbraw/zinc/82/38/25/358823825.db2.gz SFNIMNLWUWXMPH-UHFFFAOYSA-N 1 1 279.365 1.541 40 0 CDABMO COc1ncc(C[N@@H+](CCO)Cc2cccs2)cn1 ZINC000013997562 358823832 /nfs/dbraw/zinc/82/38/32/358823832.db2.gz SFNIMNLWUWXMPH-UHFFFAOYSA-N 1 1 279.365 1.541 40 0 CDABMO COC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C ZINC000072559960 360580865 /nfs/dbraw/zinc/58/08/65/360580865.db2.gz LWWHCFUPNYHMSG-CQSZACIVSA-N 1 1 290.363 1.961 40 0 CDABMO COC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C ZINC000072559960 360580869 /nfs/dbraw/zinc/58/08/69/360580869.db2.gz LWWHCFUPNYHMSG-CQSZACIVSA-N 1 1 290.363 1.961 40 0 CDABMO COC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000075838895 366892652 /nfs/dbraw/zinc/89/26/52/366892652.db2.gz OOBDHEYVBWJEML-HOTGVXAUSA-N 1 1 278.396 1.897 40 0 CDABMO CN1CC[C@H]([N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)C1=O ZINC000076075187 366969335 /nfs/dbraw/zinc/96/93/35/366969335.db2.gz NISBGRIODMBHNH-PMPSAXMXSA-N 1 1 288.391 1.805 40 0 CDABMO C[NH+](C)CC(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000171225226 372152526 /nfs/dbraw/zinc/15/25/26/372152526.db2.gz FVXAINSSNNYDFX-UHFFFAOYSA-N 1 1 263.341 1.903 40 0 CDABMO COC[C@@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218466218 372829296 /nfs/dbraw/zinc/82/92/96/372829296.db2.gz VQQPKIRSACCTKV-GRYCIOLGSA-N 1 1 289.784 1.194 40 0 CDABMO O=C(COc1ccccc1)NCCn1cc[nH+]c1C1CC1 ZINC000225566228 375164824 /nfs/dbraw/zinc/16/48/24/375164824.db2.gz CKPNDSSLCIJBMU-UHFFFAOYSA-N 1 1 285.347 1.956 40 0 CDABMO O=C(c1ccccc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000225626822 375173768 /nfs/dbraw/zinc/17/37/68/375173768.db2.gz ODLAEIAPODOAPQ-HNNXBMFYSA-N 1 1 274.364 1.358 40 0 CDABMO Cc1c[nH]c([C@H]2CCC[N@H+]2CC2(O)CCOCC2)n1 ZINC000257206843 190011761 /nfs/dbraw/zinc/01/17/61/190011761.db2.gz BFCIANYOSLSYDU-GFCCVEGCSA-N 1 1 265.357 1.397 40 0 CDABMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](Cc3ccccc3)CC[C@@H]2C1 ZINC000257248924 190020059 /nfs/dbraw/zinc/02/00/59/190020059.db2.gz JFUXVSSSVOOBGY-RBSFLKMASA-N 1 1 258.365 1.672 40 0 CDABMO Cn1cnc(C[NH+]2CCC(c3ccnc4ccnn43)CC2)c1 ZINC000257292379 190027486 /nfs/dbraw/zinc/02/74/86/190027486.db2.gz QLEYDLOPHXDXKX-UHFFFAOYSA-N 1 1 296.378 1.842 40 0 CDABMO CN(C)C(=O)[C@@H]1CN(C)CC[N@@H+](CCc2ccccc2)C1 ZINC000257294921 190028161 /nfs/dbraw/zinc/02/81/61/190028161.db2.gz QWHGARRKAPEOPA-MRXNPFEDSA-N 1 1 289.423 1.181 40 0 CDABMO CN(C)C(=O)[C@H]1CN(CCc2ccccc2)CC[N@H+](C)C1 ZINC000257294921 190028162 /nfs/dbraw/zinc/02/81/62/190028162.db2.gz QWHGARRKAPEOPA-MRXNPFEDSA-N 1 1 289.423 1.181 40 0 CDABMO CN(C)C(=O)[C@H]1CN(CCc2ccccc2)CC[N@@H+](C)C1 ZINC000257294921 190028163 /nfs/dbraw/zinc/02/81/63/190028163.db2.gz QWHGARRKAPEOPA-MRXNPFEDSA-N 1 1 289.423 1.181 40 0 CDABMO CNC(=O)c1cccc([C@@H]2C[N@@H+](CC3CC3)CCN2C)c1 ZINC000257314545 190032375 /nfs/dbraw/zinc/03/23/75/190032375.db2.gz UXLAUYFIIHVWLB-INIZCTEOSA-N 1 1 287.407 1.745 40 0 CDABMO Cn1ccnc1-c1cncc(C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257327363 190035085 /nfs/dbraw/zinc/03/50/85/190035085.db2.gz XBBQSLIVNHRFPG-LBPRGKRZSA-N 1 1 271.368 1.761 40 0 CDABMO CN1C(=O)CO[C@H]2C[N@H+](CCCc3ccccc3)C[C@H]21 ZINC000067897248 377286356 /nfs/dbraw/zinc/28/63/56/377286356.db2.gz JANVOAYGGQUHEK-CABCVRRESA-N 1 1 274.364 1.161 40 0 biogenic,in-vitro CDABMO O[C@@H](COCC[C@H]1C[C@H]2CC[C@@H]1C2)C[NH+]1CCOCC1 ZINC000041690377 285307517 /nfs/dbraw/zinc/30/75/17/285307517.db2.gz ZIWGXIQGRCSITN-XUWVNRHRSA-N 1 1 283.412 1.522 40 0 CDABMO CN1CCN(c2ccc([C@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000072225535 390624088 /nfs/dbraw/zinc/62/40/88/390624088.db2.gz VDSCHGWBYUKGNE-QGZVFWFLSA-N 1 1 282.391 1.882 40 0 CDABMO Cc1cccc(N2CCC[C@]3(CCN(C)C3=O)C2)[nH+]1 ZINC000096073920 398069770 /nfs/dbraw/zinc/06/97/70/398069770.db2.gz IFNMZBQVQFIWCZ-HNNXBMFYSA-N 1 1 259.353 1.839 40 0 CDABMO Cc1cc(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)n(C)n1 ZINC000096076139 398070273 /nfs/dbraw/zinc/07/02/73/398070273.db2.gz PQECDKOXLBPWBW-INIZCTEOSA-N 1 1 298.394 1.373 40 0 CDABMO COc1ccc([C@@]23CCC(=O)N2CCCC[NH2+]3)cc1 ZINC000035572423 286365956 /nfs/dbraw/zinc/36/59/56/286365956.db2.gz HMBRWTJVKPNYST-OAHLLOKOSA-N 1 1 260.337 1.854 40 0 CDABMO C[NH+](C)CCNCC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000022587062 171393060 /nfs/dbraw/zinc/39/30/60/171393060.db2.gz DIHCJCFCGAWNMT-WOSRLPQWSA-N 1 1 281.444 1.469 40 0 CDABMO OCC[N@H+]1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369815 176384196 /nfs/dbraw/zinc/38/41/96/176384196.db2.gz WNRPKNWHGLWFGV-GFCCVEGCSA-N 1 1 259.309 1.518 40 0 CDABMO Cc1nc([C@H]2CCC[N@@H+](C)C2)ncc1C(=O)N(C)C ZINC000072370068 176384374 /nfs/dbraw/zinc/38/43/74/176384374.db2.gz SMKVSZIJBJFFBH-NSHDSACASA-N 1 1 262.357 1.296 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@](O)(c3nccn3C)CC2)cn1 ZINC000072369581 176384398 /nfs/dbraw/zinc/38/43/98/176384398.db2.gz VYLINYIPDKVRLX-HNNXBMFYSA-N 1 1 289.383 1.027 40 0 CDABMO COc1ccc(CNC(=O)[C@@]2(C)C[N@H+](C)CCO2)cc1 ZINC000072379330 176386751 /nfs/dbraw/zinc/38/67/51/176386751.db2.gz YSYPBWRKLRUGKY-OAHLLOKOSA-N 1 1 278.352 1.032 40 0 CDABMO COc1ccc(CNC(=O)[C@@]2(C)C[N@@H+](C)CCO2)cc1 ZINC000072379330 176386752 /nfs/dbraw/zinc/38/67/52/176386752.db2.gz YSYPBWRKLRUGKY-OAHLLOKOSA-N 1 1 278.352 1.032 40 0 CDABMO OC[C@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000072397800 176395615 /nfs/dbraw/zinc/39/56/15/176395615.db2.gz NVYCAEJWPWCUKR-ZDUSSCGKSA-N 1 1 257.337 1.834 40 0 CDABMO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000076708883 277058199 /nfs/dbraw/zinc/05/81/99/277058199.db2.gz GFTZAYYUWMMUST-ZFWWWQNUSA-N 1 1 295.427 1.378 40 0 CDABMO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000076708883 277058202 /nfs/dbraw/zinc/05/82/02/277058202.db2.gz GFTZAYYUWMMUST-ZFWWWQNUSA-N 1 1 295.427 1.378 40 0 CDABMO CNc1ncccc1C[N@H+]1C[C@H](OC)[C@]2(CCCO2)C1 ZINC000257304835 277306025 /nfs/dbraw/zinc/30/60/25/277306025.db2.gz SNJCZLMIIACHDE-ZFWWWQNUSA-N 1 1 277.368 1.503 40 0 CDABMO CSc1c2c(cc3c1C[N@H+](C)C[C@H]3O)OCO2 ZINC000261829926 278169456 /nfs/dbraw/zinc/16/94/56/278169456.db2.gz ZLGGLZOUDBAFGP-SECBINFHSA-N 1 1 253.323 1.616 40 0 CDABMO CSc1c2c(cc3c1C[N@@H+](C)C[C@H]3O)OCO2 ZINC000261829926 278169457 /nfs/dbraw/zinc/16/94/57/278169457.db2.gz ZLGGLZOUDBAFGP-SECBINFHSA-N 1 1 253.323 1.616 40 0 CDABMO O=C1CCCN1C[C@@H]1C[N@H+](CC2CCC2)Cc2ccnn21 ZINC000248003699 280252537 /nfs/dbraw/zinc/25/25/37/280252537.db2.gz RUDHVXRLIJAOCH-HNNXBMFYSA-N 1 1 288.395 1.662 40 0 CDABMO O=C1CCCN1C[C@@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000248003699 280252540 /nfs/dbraw/zinc/25/25/40/280252540.db2.gz RUDHVXRLIJAOCH-HNNXBMFYSA-N 1 1 288.395 1.662 40 0 CDABMO COc1c(Br)cc(C[NH3+])cc1CN(C)C ZINC000225723508 333182273 /nfs/dbraw/zinc/18/22/73/333182273.db2.gz WTFMBYLCSJUJBX-UHFFFAOYSA-N 1 1 273.174 1.978 40 0 CDABMO Nc1ncc(C[NH2+]Cc2nc3ccccc3[nH]2)cn1 ZINC000062718385 342491708 /nfs/dbraw/zinc/49/17/08/342491708.db2.gz YDPSMFUUSFOSIG-UHFFFAOYSA-N 1 1 254.297 1.225 40 0 CDABMO CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096047495 185073220 /nfs/dbraw/zinc/07/32/20/185073220.db2.gz UFVTZYFUKDRUAI-INIZCTEOSA-N 1 1 290.411 1.787 40 0 CDABMO O=C(c1ccco1)N1CC[N@H+]2C[C@@H](OCC3CC3)C[C@@H]2C1 ZINC000096054999 185075750 /nfs/dbraw/zinc/07/57/50/185075750.db2.gz IAXBEFAQFSYVPF-KGLIPLIRSA-N 1 1 290.363 1.605 40 0 CDABMO C[C@@H]1C(=O)NC[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000096066497 185084414 /nfs/dbraw/zinc/08/44/14/185084414.db2.gz HYUPVXCEZXOOTE-DRZSPHRISA-N 1 1 288.347 1.229 40 0 CDABMO CS(=O)(=O)N1CCC[C@@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096071542 185086356 /nfs/dbraw/zinc/08/63/56/185086356.db2.gz FKTGYVBOURUORR-CQSZACIVSA-N 1 1 298.408 1.670 40 0 CDABMO CS(=O)(=O)N1CCC[C@@]12CCC[N@@H+](Cc1ccco1)C2 ZINC000096071542 185086357 /nfs/dbraw/zinc/08/63/57/185086357.db2.gz FKTGYVBOURUORR-CQSZACIVSA-N 1 1 298.408 1.670 40 0 CDABMO CC[N@H+]1CC[C@]12CCN(Cc1cccnc1OC)C2 ZINC000096075920 185089952 /nfs/dbraw/zinc/08/99/52/185089952.db2.gz JEKKBKOATBSJAI-HNNXBMFYSA-N 1 1 261.369 1.760 40 0 CDABMO CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N(C)C)C1 ZINC000585109470 342213475 /nfs/dbraw/zinc/21/34/75/342213475.db2.gz RUFNPUIWEFFVTG-KFWWJZLASA-N 1 1 282.428 1.848 40 0 CDABMO CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)c1)C2 ZINC000585103434 342212705 /nfs/dbraw/zinc/21/27/05/342212705.db2.gz CFNXTBANYRJVDD-MRXNPFEDSA-N 1 1 292.354 1.506 40 0 CDABMO Cn1ccc(C[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000093687390 342236000 /nfs/dbraw/zinc/23/60/00/342236000.db2.gz KWILDPFCTAIGGZ-UHFFFAOYSA-N 1 1 274.343 1.881 40 0 CDABMO Cc1cccc(N2CCC[C@@H](NC(=O)c3cnco3)C2)[nH+]1 ZINC000257262282 362581404 /nfs/dbraw/zinc/58/14/04/362581404.db2.gz LKUUJRUIEWALPV-GFCCVEGCSA-N 1 1 286.335 1.777 40 0 CDABMO Cc1csc(C[N@H+]2CCC[C@]3(CCNC3=O)CC2)n1 ZINC000108525625 186221352 /nfs/dbraw/zinc/22/13/52/186221352.db2.gz QDMHAJPFWOMLBX-AWEZNQCLSA-N 1 1 279.409 1.944 40 0 CDABMO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3C)C[C@@H]21 ZINC000108533849 186221778 /nfs/dbraw/zinc/22/17/78/186221778.db2.gz WFSOCSAIGFEWEP-IRXDYDNUSA-N 1 1 288.391 1.817 40 0 CDABMO C[C@H]1CCC[C@@H]1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000035093048 355958481 /nfs/dbraw/zinc/95/84/81/355958481.db2.gz NOPQVBCPBSUPGR-AHDPXTMNSA-N 1 1 271.401 1.662 40 0 CDABMO CN(C(=O)OCc1ccccc1)[C@@H]1CC[N@@H+](CCO)C1 ZINC000079410921 356994160 /nfs/dbraw/zinc/99/41/60/356994160.db2.gz LCNXOURDJOISIN-CQSZACIVSA-N 1 1 278.352 1.322 40 0 CDABMO Cn1cc2c(n1)[C@H](C[NH2+]Cc1nccs1)OCC2 ZINC000096059678 358707040 /nfs/dbraw/zinc/70/70/40/358707040.db2.gz ISIXXUKFOWPOMC-JTQLQIEISA-N 1 1 264.354 1.280 40 0 CDABMO CN(C)C[C@@H]1C[C@@H]2CN(Cc3nccs3)CC[C@@H]2[N@H+]1C ZINC000096185548 358713580 /nfs/dbraw/zinc/71/35/80/358713580.db2.gz HXWXEALJLMONTB-RDBSUJKOSA-N 1 1 294.468 1.599 40 0 CDABMO COc1ncccc1CN1CC[C@@H]2C[N@@H+](C)CCO[C@@H]2C1 ZINC000096249551 358726190 /nfs/dbraw/zinc/72/61/90/358726190.db2.gz XXZNHVDHLQGCLA-UKRRQHHQSA-N 1 1 291.395 1.243 40 0 CDABMO COCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc(C)o1 ZINC000096248810 358726885 /nfs/dbraw/zinc/72/68/85/358726885.db2.gz OVAHZBLSSFGDNO-CABCVRRESA-N 1 1 280.368 1.119 40 0 CDABMO CCCOCC(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000330604591 203027757 /nfs/dbraw/zinc/02/77/57/203027757.db2.gz HCOMCZZDBPOUFN-UHFFFAOYSA-N 1 1 265.357 1.617 40 0 CDABMO C[C@@]1(C(N)=O)C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257270872 190023906 /nfs/dbraw/zinc/02/39/06/190023906.db2.gz MVZPYRSYKIILHF-HNNXBMFYSA-N 1 1 290.388 1.978 40 0 CDABMO C[C@@]1(C(N)=O)C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257270872 190023907 /nfs/dbraw/zinc/02/39/07/190023907.db2.gz MVZPYRSYKIILHF-HNNXBMFYSA-N 1 1 290.388 1.978 40 0 CDABMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccon2)C[C@@H]1CC ZINC000133374754 375765867 /nfs/dbraw/zinc/76/58/67/375765867.db2.gz FDLXOUPNLOBFCS-LBPRGKRZSA-N 1 1 296.371 1.639 40 0 CDABMO CCOCC[N@H+]1CCN(C(=O)Nc2ccon2)C[C@@H]1CC ZINC000133374754 375765877 /nfs/dbraw/zinc/76/58/77/375765877.db2.gz FDLXOUPNLOBFCS-LBPRGKRZSA-N 1 1 296.371 1.639 40 0 CDABMO COC[C@@H]1CN(C(=O)CCc2ccccc2)CC[N@@H+](C)C1 ZINC000257273314 190025091 /nfs/dbraw/zinc/02/50/91/190025091.db2.gz NGBXNJDOWDSVTF-INIZCTEOSA-N 1 1 290.407 1.656 40 0 CDABMO O[C@H]1CC[N@H+](Cc2c[nH]cn2)CC[C@@H]1Oc1cccnc1 ZINC000257293155 190028534 /nfs/dbraw/zinc/02/85/34/190028534.db2.gz QOJGZGNGKLJZAC-GJZGRUSLSA-N 1 1 288.351 1.209 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2c[nH]cn2)CC[C@@H]1Oc1cccnc1 ZINC000257293155 190028535 /nfs/dbraw/zinc/02/85/35/190028535.db2.gz QOJGZGNGKLJZAC-GJZGRUSLSA-N 1 1 288.351 1.209 40 0 CDABMO O=C1CCCN1C[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000257305038 190030731 /nfs/dbraw/zinc/03/07/31/190030731.db2.gz SOEJLQSNCTWCMZ-HNNXBMFYSA-N 1 1 273.380 1.916 40 0 CDABMO CN1CC[N@@H+](CC2CCOCC2)Cc2cccnc21 ZINC000096198817 256819610 /nfs/dbraw/zinc/81/96/10/256819610.db2.gz IGRGQEHKLXKQJN-UHFFFAOYSA-N 1 1 261.369 1.760 40 0 CDABMO NCC(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096268289 256838814 /nfs/dbraw/zinc/83/88/14/256838814.db2.gz KWHHNKXJUHQBME-UHFFFAOYSA-N 1 1 279.771 1.267 40 0 CDABMO CN(C)C(=O)NCC[C@@]12CCO[C@@H]1CC[N@H+](C1CCC1)C2 ZINC000096208088 256824341 /nfs/dbraw/zinc/82/43/41/256824341.db2.gz QEHDMFCVWYKPLZ-ZBFHGGJFSA-N 1 1 295.427 1.681 40 0 CDABMO C[C@H](Oc1ncc(Br)cn1)[C@H]1CC[N@@H+](C)C1 ZINC000096515820 390533274 /nfs/dbraw/zinc/53/32/74/390533274.db2.gz ZRRRAEIZYIQRST-IUCAKERBSA-N 1 1 286.173 1.958 40 0 CDABMO CCS(=O)(=O)[C@H](CO)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000096525181 390539680 /nfs/dbraw/zinc/53/96/80/390539680.db2.gz VLANXVUVEXCGFH-MNOVXSKESA-N 1 1 277.773 1.135 40 0 CDABMO CC(C)C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096043394 390912087 /nfs/dbraw/zinc/91/20/87/390912087.db2.gz PYLVLNLBWUPDMB-QLFBSQMISA-N 1 1 296.411 1.533 40 0 CDABMO CC(C)[N@H+]1C[C@H]2CCN(c3cncnc3)C(=O)[C@@H]2C1 ZINC000096249129 390913588 /nfs/dbraw/zinc/91/35/88/390913588.db2.gz PVDVGTPEUHALEB-DGCLKSJQSA-N 1 1 260.341 1.170 40 0 CDABMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000011695620 170433130 /nfs/dbraw/zinc/43/31/30/170433130.db2.gz PQMAWRIUSVTODN-UHFFFAOYSA-N 1 1 288.326 1.522 40 0 CDABMO Cn1nccc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000020349934 171155133 /nfs/dbraw/zinc/15/51/33/171155133.db2.gz BZTIDMQOAJOVRO-UHFFFAOYSA-N 1 1 273.262 1.462 40 0 CDABMO C[C@H](NCC[NH+](C)C)C(=O)N1CCc2ccccc21 ZINC000022586168 171393380 /nfs/dbraw/zinc/39/33/80/171393380.db2.gz NHSODKFYYNGQJT-LBPRGKRZSA-N 1 1 261.369 1.115 40 0 CDABMO COC[C@H]1CN(C(C)=O)CC[N@@H+](Cc2ccccn2)C1 ZINC000072343692 176371890 /nfs/dbraw/zinc/37/18/90/176371890.db2.gz XMIHMWMIMPQJEE-CQSZACIVSA-N 1 1 277.368 1.008 40 0 CDABMO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358296 176376195 /nfs/dbraw/zinc/37/61/95/176376195.db2.gz JAAOLXJDUMLUCX-ZDUSSCGKSA-N 1 1 289.379 1.363 40 0 CDABMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072367791 176382326 /nfs/dbraw/zinc/38/23/26/176382326.db2.gz UJLXYWWJNSRLCH-NSHDSACASA-N 1 1 272.352 1.238 40 0 CDABMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072367791 176382328 /nfs/dbraw/zinc/38/23/28/176382328.db2.gz UJLXYWWJNSRLCH-NSHDSACASA-N 1 1 272.352 1.238 40 0 CDABMO Cc1nc(C(=O)N2CCCC2)cc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072382865 176388404 /nfs/dbraw/zinc/38/84/04/176388404.db2.gz NESNLYDACRCPIG-ZDUSSCGKSA-N 1 1 288.395 1.830 40 0 CDABMO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)o1 ZINC000072397564 176395036 /nfs/dbraw/zinc/39/50/36/176395036.db2.gz LCVHXNSVPJGZNT-WCFLWFBJSA-N 1 1 250.342 1.227 40 0 CDABMO OCCCn1cc(C[N@H+]2CCC[C@@H](O)C2)c2ccccc21 ZINC000072397870 176395527 /nfs/dbraw/zinc/39/55/27/176395527.db2.gz UVXZNOJGBSLHPF-OAHLLOKOSA-N 1 1 288.391 1.980 40 0 CDABMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2ccnc(F)c2)C1 ZINC000077957496 177312700 /nfs/dbraw/zinc/31/27/00/177312700.db2.gz OWEZPQRLKRHDLB-CYBMUJFWSA-N 1 1 296.342 1.734 40 0 CDABMO CC(C)C[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000019446779 279004091 /nfs/dbraw/zinc/00/40/91/279004091.db2.gz UMQSJYGTASTFRM-ZDUSSCGKSA-N 1 1 294.447 1.763 40 0 CDABMO CCS(=O)(=O)NCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000075837692 280025298 /nfs/dbraw/zinc/02/52/98/280025298.db2.gz RBZCOTIIGANSMM-UPJWGTAASA-N 1 1 274.430 1.579 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@H]1CCC=CO1)CC2 ZINC000019576536 282007277 /nfs/dbraw/zinc/00/72/77/282007277.db2.gz JZRWWLBJRXLPCS-LLVKDONJSA-N 1 1 261.325 1.129 40 0 CDABMO CC1(C)O[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](CO)[C@@H]2O1 ZINC000036406655 1165751119 /nfs/dbraw/zinc/75/11/19/1165751119.db2.gz AUVSIAZDYGROKK-MJBXVCDLSA-N 1 1 263.337 1.383 40 0 CDABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cccnc2)N1c1cccnc1 ZINC000096055706 185076528 /nfs/dbraw/zinc/07/65/28/185076528.db2.gz CZAWBDCTCNMHAY-JKSUJKDBSA-N 1 1 294.358 1.856 40 0 CDABMO c1nc(CN2CCC3(CC2)COCC[N@@H+]3CC2CC2)c[nH]1 ZINC000096074631 185087809 /nfs/dbraw/zinc/08/78/09/185087809.db2.gz MQGQXDXMCZVPJE-UHFFFAOYSA-N 1 1 290.411 1.487 40 0 CDABMO c1ncc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)[nH]1 ZINC000096074631 185087811 /nfs/dbraw/zinc/08/78/11/185087811.db2.gz MQGQXDXMCZVPJE-UHFFFAOYSA-N 1 1 290.411 1.487 40 0 CDABMO c1ncc(CN2CCC3(CC2)COCC[N@@H+]3CC2CC2)[nH]1 ZINC000096074631 185087813 /nfs/dbraw/zinc/08/78/13/185087813.db2.gz MQGQXDXMCZVPJE-UHFFFAOYSA-N 1 1 290.411 1.487 40 0 CDABMO C[N@H+]1CCOCC12CCN(Cc1nccs1)CC2 ZINC000096074707 185088531 /nfs/dbraw/zinc/08/85/31/185088531.db2.gz IBEPXRVIRKKKFZ-UHFFFAOYSA-N 1 1 267.398 1.440 40 0 CDABMO Cc1ccc(CN2C[C@@H]3C[N@@H+](C)CCO[C@@H]3C2)s1 ZINC000096107926 185100405 /nfs/dbraw/zinc/10/04/05/185100405.db2.gz YZNLHIWWAYPHCB-GXTWGEPZSA-N 1 1 266.410 1.819 40 0 CDABMO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C)CCO[C@@H]3C2)s1 ZINC000096107926 185100406 /nfs/dbraw/zinc/10/04/06/185100406.db2.gz YZNLHIWWAYPHCB-GXTWGEPZSA-N 1 1 266.410 1.819 40 0 CDABMO Cc1ccc(C[N@H+]2C[C@@H]3CN(C)CCO[C@@H]3C2)s1 ZINC000096107926 185100407 /nfs/dbraw/zinc/10/04/07/185100407.db2.gz YZNLHIWWAYPHCB-GXTWGEPZSA-N 1 1 266.410 1.819 40 0 CDABMO CC[C@H](C)N1C[C@@]2(CCC[N@H+](Cc3nccn3C)C2)C1=O ZINC000585099356 342212164 /nfs/dbraw/zinc/21/21/64/342212164.db2.gz HMFNBGVAGBXIIB-BBRMVZONSA-N 1 1 290.411 1.643 40 0 CDABMO CC[C@H](C)N1C[C@@]2(CCC[N@@H+](Cc3nccn3C)C2)C1=O ZINC000585099356 342212165 /nfs/dbraw/zinc/21/21/65/342212165.db2.gz HMFNBGVAGBXIIB-BBRMVZONSA-N 1 1 290.411 1.643 40 0 CDABMO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000585109532 342213113 /nfs/dbraw/zinc/21/31/13/342213113.db2.gz AURHOOSERZEVEB-OFQRWUPVSA-N 1 1 296.374 1.550 40 0 CDABMO CNC(=O)C[C@@H]1C[N@H+](CC2CCC2)Cc2ccnn21 ZINC000585112300 342213578 /nfs/dbraw/zinc/21/35/78/342213578.db2.gz OGVSKKIAWHSUGQ-CYBMUJFWSA-N 1 1 262.357 1.176 40 0 CDABMO CNC(=O)C[C@@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000585112300 342213579 /nfs/dbraw/zinc/21/35/79/342213579.db2.gz OGVSKKIAWHSUGQ-CYBMUJFWSA-N 1 1 262.357 1.176 40 0 CDABMO CNC(=O)C[C@@H]1C[N@@H+](Cc2cccc(C)n2)CC[C@H]1OC ZINC000585275403 342256066 /nfs/dbraw/zinc/25/60/66/342256066.db2.gz BHUNHKUWRUKTLM-UKRRQHHQSA-N 1 1 291.395 1.363 40 0 CDABMO CNC(=O)[C@]1(C)CCC[N@@H+](CC2(O)CCCC2)C1 ZINC000585282583 342258535 /nfs/dbraw/zinc/25/85/35/342258535.db2.gz HMYXWUFXXRPDDO-CYBMUJFWSA-N 1 1 254.374 1.140 40 0 CDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C(=O)OCc1ccccc1 ZINC000230489093 348756392 /nfs/dbraw/zinc/75/63/92/348756392.db2.gz PFWDUAUMYWDGNJ-CHWSQXEVSA-N 1 1 277.320 1.081 40 0 CDABMO Cc1nc(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)NC3CC3)C2)cs1 ZINC000107234144 186163176 /nfs/dbraw/zinc/16/31/76/186163176.db2.gz GGTZWWIWQJDTQZ-ZFWWWQNUSA-N 1 1 291.420 1.942 40 0 CDABMO Cc1nc(C[N@H+]2CC[C@]3(C[C@H]3C(=O)NC3CC3)C2)cs1 ZINC000107234144 186163177 /nfs/dbraw/zinc/16/31/77/186163177.db2.gz GGTZWWIWQJDTQZ-ZFWWWQNUSA-N 1 1 291.420 1.942 40 0 CDABMO Cc1cc(=O)[nH]c([C@H]2CC[N@@H+](Cc3ccccn3)C2)n1 ZINC000019118490 356475221 /nfs/dbraw/zinc/47/52/21/356475221.db2.gz FYNJFRQLFVGBFV-LBPRGKRZSA-N 1 1 270.336 1.463 40 0 CDABMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391650 356988580 /nfs/dbraw/zinc/98/85/80/356988580.db2.gz DTTWTJTZTGLXCU-HNNXBMFYSA-N 1 1 292.379 1.712 40 0 CDABMO CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404225 356989485 /nfs/dbraw/zinc/98/94/85/356989485.db2.gz FBTPCJVPZGJPPR-MRXNPFEDSA-N 1 1 289.423 1.706 40 0 CDABMO CC[N@H+](Cc1ccccc1)C[C@H]1CCN(CCO)C1 ZINC000079414196 356993519 /nfs/dbraw/zinc/99/35/19/356993519.db2.gz BJKGRXLGDNZUTM-MRXNPFEDSA-N 1 1 262.397 1.823 40 0 CDABMO COCCNC(=O)[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000072389401 357831895 /nfs/dbraw/zinc/83/18/95/357831895.db2.gz UICCAWRGFMGAQP-CYBMUJFWSA-N 1 1 292.383 1.072 40 0 CDABMO CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccn2C)O1 ZINC000096186046 358714306 /nfs/dbraw/zinc/71/43/06/358714306.db2.gz VOLVQYSETIKISE-IHRRRGAJSA-N 1 1 279.384 1.579 40 0 CDABMO CCOC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccn2C)O1 ZINC000096186046 358714307 /nfs/dbraw/zinc/71/43/07/358714307.db2.gz VOLVQYSETIKISE-IHRRRGAJSA-N 1 1 279.384 1.579 40 0 CDABMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1CCOC1 ZINC000096184589 358714330 /nfs/dbraw/zinc/71/43/30/358714330.db2.gz FVUCYKDGHVQXKR-RTXFEEFZSA-N 1 1 293.392 1.221 40 0 CDABMO C[N@H+]1C[C@@H]2C[C@H](CC(=O)NCc3cccs3)O[C@@H]2C1 ZINC000096208114 358720562 /nfs/dbraw/zinc/72/05/62/358720562.db2.gz HSMXHGFHKCTNMU-DMDPSCGWSA-N 1 1 280.393 1.474 40 0 CDABMO COC[C@H]1Cn2cncc2C[N@H+](Cc2c(C)noc2C)C1 ZINC000096217318 358721512 /nfs/dbraw/zinc/72/15/12/358721512.db2.gz FYSQWVBRBWIQSO-CYBMUJFWSA-N 1 1 290.367 1.766 40 0 CDABMO COC[C@H]1Cn2cncc2C[N@@H+](Cc2c(C)noc2C)C1 ZINC000096217318 358721513 /nfs/dbraw/zinc/72/15/13/358721513.db2.gz FYSQWVBRBWIQSO-CYBMUJFWSA-N 1 1 290.367 1.766 40 0 CDABMO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccsc3)CC[C@H]21 ZINC000096249247 358726914 /nfs/dbraw/zinc/72/69/14/358726914.db2.gz FALPQJAWYHQSDC-ZIAGYGMSSA-N 1 1 294.420 1.612 40 0 CDABMO CC(C)Oc1ncnc2c1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096255652 358728814 /nfs/dbraw/zinc/72/88/14/358728814.db2.gz SDESNTHNNCKRNZ-CYBMUJFWSA-N 1 1 291.395 1.701 40 0 CDABMO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CNC(=O)C2)N1CCCCCC1 ZINC000013563507 366484366 /nfs/dbraw/zinc/48/43/66/366484366.db2.gz SNAABOBWFZLWGZ-KGLIPLIRSA-N 1 1 293.411 1.132 40 0 CDABMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CNC(=O)C2)N1CCCCCC1 ZINC000013563507 366484371 /nfs/dbraw/zinc/48/43/71/366484371.db2.gz SNAABOBWFZLWGZ-KGLIPLIRSA-N 1 1 293.411 1.132 40 0 CDABMO COc1ccccc1/C=C/C(=O)N1CC[NH+](C)CC1 ZINC000059095185 359805453 /nfs/dbraw/zinc/80/54/53/359805453.db2.gz LNFHHSXNVWFJBW-BQYQJAHWSA-N 1 1 260.337 1.482 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)c1ccc2nsnc2c1 ZINC000049460888 373999639 /nfs/dbraw/zinc/99/96/39/373999639.db2.gz CXXIKAATBWXFBS-UHFFFAOYSA-N 1 1 287.348 1.626 40 0 CDABMO COc1ccc(C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000049460751 373999927 /nfs/dbraw/zinc/99/99/27/373999927.db2.gz JHDYHFQGCQUMCQ-UHFFFAOYSA-N 1 1 259.309 1.630 40 0 CDABMO Clc1cccc(-c2nc(CN3CC[NH2+]CC3)n[nH]2)c1 ZINC000064875459 374240618 /nfs/dbraw/zinc/24/06/18/374240618.db2.gz XWYKOZAMMIABTQ-UHFFFAOYSA-N 1 1 277.759 1.530 40 0 CDABMO Clc1cccc(-c2n[nH]c(CN3CC[NH2+]CC3)n2)c1 ZINC000064875459 374240625 /nfs/dbraw/zinc/24/06/25/374240625.db2.gz XWYKOZAMMIABTQ-UHFFFAOYSA-N 1 1 277.759 1.530 40 0 CDABMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCNC(=O)C1(C)C ZINC000334329705 374915044 /nfs/dbraw/zinc/91/50/44/374915044.db2.gz OIDIHDSNCDSPAD-CYBMUJFWSA-N 1 1 267.417 1.460 40 0 CDABMO Cc1c(C[NH2+]Cc2cnn(C)c2C(F)(F)F)cnn1C ZINC000256054040 190005022 /nfs/dbraw/zinc/00/50/22/190005022.db2.gz USKALKVSRGZOPX-UHFFFAOYSA-N 1 1 287.289 1.771 40 0 CDABMO CCn1nccc1C[NH2+]Cc1ccnn1C(F)F ZINC000256049628 190002397 /nfs/dbraw/zinc/00/23/97/190002397.db2.gz ARJFSZVVMWSLAS-UHFFFAOYSA-N 1 1 255.272 1.784 40 0 CDABMO CC(C)n1nc(C2CC2)cc1CNCC[NH+](C)C ZINC000256051563 190003607 /nfs/dbraw/zinc/00/36/07/190003607.db2.gz JQUDINIXPMVJJV-UHFFFAOYSA-N 1 1 250.390 1.993 40 0 CDABMO Cc1nn(C)c(F)c1C[NH2+]Cc1cnn(C)c1C ZINC000256052803 190004162 /nfs/dbraw/zinc/00/41/62/190004162.db2.gz OTBOPCQCGQRXHK-UHFFFAOYSA-N 1 1 251.309 1.199 40 0 CDABMO Cn1nccc1-c1cccc(C[C@H]2CC[N@@H+](C)C2)n1 ZINC000257245490 190019450 /nfs/dbraw/zinc/01/94/50/190019450.db2.gz IPSLBVMIGPEFTI-GFCCVEGCSA-N 1 1 256.353 1.976 40 0 CDABMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000257269717 190023972 /nfs/dbraw/zinc/02/39/72/190023972.db2.gz MRBYRVUNCKKYIP-LLVKDONJSA-N 1 1 288.351 1.694 40 0 CDABMO Cc1nc(C(=O)NC2CC2)cc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257271752 190024190 /nfs/dbraw/zinc/02/41/90/190024190.db2.gz MZRJGFUQTDUEAI-NSHDSACASA-N 1 1 274.368 1.486 40 0 CDABMO Cc1nc[nH]c1CN1CCO[C@@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257280851 190025618 /nfs/dbraw/zinc/02/56/18/190025618.db2.gz OMQXVPNWXBHSNS-OAHLLOKOSA-N 1 1 287.367 1.577 40 0 CDABMO O[C@@H]1C[N@H+](Cc2cnccn2)C[C@H]1Oc1ccccc1 ZINC000257286964 190027346 /nfs/dbraw/zinc/02/73/46/190027346.db2.gz PNVICOLUHHDWEJ-HUUCEWRRSA-N 1 1 271.320 1.101 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2cnccn2)C[C@H]1Oc1ccccc1 ZINC000257286964 190027347 /nfs/dbraw/zinc/02/73/47/190027347.db2.gz PNVICOLUHHDWEJ-HUUCEWRRSA-N 1 1 271.320 1.101 40 0 CDABMO Cn1cc(C(=O)N2CCC[C@H]3[N@@H+](C)CCC[C@@]32C)cn1 ZINC000257273536 190024886 /nfs/dbraw/zinc/02/48/86/190024886.db2.gz NHAKCSOQWPEAHV-HIFRSBDPSA-N 1 1 276.384 1.509 40 0 CDABMO NC(=O)c1cncnc1[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000257308057 190030918 /nfs/dbraw/zinc/03/09/18/190030918.db2.gz TVGGTDHMQRBSBF-AWEZNQCLSA-N 1 1 296.374 1.608 40 0 CDABMO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257328605 190034692 /nfs/dbraw/zinc/03/46/92/190034692.db2.gz XGKFOGOBGFJWJK-CYBMUJFWSA-N 1 1 259.357 1.831 40 0 CDABMO CCOCC[N@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257328643 190035170 /nfs/dbraw/zinc/03/51/70/190035170.db2.gz XGNZVPSTLJCTPK-CYBMUJFWSA-N 1 1 290.367 1.998 40 0 CDABMO C[N@H+]1CCN(Cc2cccc(Cl)c2)C[C@H](C(N)=O)C1 ZINC000257334608 190036492 /nfs/dbraw/zinc/03/64/92/190036492.db2.gz YGQOPGGAIQJDAL-GFCCVEGCSA-N 1 1 281.787 1.189 40 0 CDABMO CCn1cc(Cl)c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000002767070 378053170 /nfs/dbraw/zinc/05/31/70/378053170.db2.gz CXSAIDGRPUMDSK-SNVBAGLBSA-N 1 1 282.775 1.477 40 0 CDABMO O=C1[N-]c2cccc[n+]2C1=C1C(=O)Nc2cccc[n+]21 ZINC000227014919 285243174 /nfs/dbraw/zinc/24/31/74/285243174.db2.gz ZXWRIXZOOFQCKJ-VAWYXSNFSA-P 1 1 266.260 1.291 40 0 CDABMO O[C@@H]1CC=C2CC[N@H+]3Cc4cc5c(cc4[C@@H]1[C@H]23)OCO5 ZINC000005734929 285309816 /nfs/dbraw/zinc/30/98/16/285309816.db2.gz XKYSLILSDJBMCU-KCXAZCMYSA-N 1 1 271.316 1.778 40 0 CDABMO c1cc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)ccn1 ZINC000253588447 390942397 /nfs/dbraw/zinc/94/23/97/390942397.db2.gz DABADBDWDFLXAT-IRXDYDNUSA-N 1 1 287.407 1.767 40 0 CDABMO O=S(=O)(c1cccs1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000014223646 392538824 /nfs/dbraw/zinc/53/88/24/392538824.db2.gz VTNLUIGVWOISTF-SNVBAGLBSA-N 1 1 272.395 1.217 40 0 CDABMO O=S(=O)(c1cccs1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000014223646 392538827 /nfs/dbraw/zinc/53/88/27/392538827.db2.gz VTNLUIGVWOISTF-SNVBAGLBSA-N 1 1 272.395 1.217 40 0 CDABMO COc1ccc(C[C@@H]2C[N@@H+](C)CC[C@@H]2O)c(OC)c1OC ZINC000252497671 392794885 /nfs/dbraw/zinc/79/48/85/392794885.db2.gz QMQMRMFUDUJKIO-OLZOCXBDSA-N 1 1 295.379 1.568 40 0 CDABMO CCn1nnc(C)c1C[N@H+]1CCS[C@H](C)CC1 ZINC000336208373 151360583 /nfs/dbraw/zinc/36/05/83/151360583.db2.gz FWVLFSNGELXIIL-SNVBAGLBSA-N 1 1 254.403 1.934 40 0 CDABMO Cc1c(C[NH2+]Cc2cc(C(F)(F)F)nn2C)cnn1C ZINC000020349880 171155316 /nfs/dbraw/zinc/15/53/16/171155316.db2.gz XAFWAGXZRWSZND-UHFFFAOYSA-N 1 1 287.289 1.771 40 0 CDABMO CCNC(=O)c1cc(C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072369340 176383958 /nfs/dbraw/zinc/38/39/58/176383958.db2.gz PEKHDQRPUNSAAA-LLVKDONJSA-N 1 1 262.357 1.344 40 0 CDABMO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000082334257 277079333 /nfs/dbraw/zinc/07/93/33/277079333.db2.gz OSXQCUVXIBGRLJ-LBPRGKRZSA-N 1 1 275.352 1.925 40 0 CDABMO CO[C@H]1C[N@H+](Cc2cncs2)C[C@@]12CCCO2 ZINC000257259444 277343943 /nfs/dbraw/zinc/34/39/43/277343943.db2.gz KYJYHTMJJWLWOR-RYUDHWBXSA-N 1 1 254.355 1.523 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2cncs2)C[C@@]12CCCO2 ZINC000257259444 277343944 /nfs/dbraw/zinc/34/39/44/277343944.db2.gz KYJYHTMJJWLWOR-RYUDHWBXSA-N 1 1 254.355 1.523 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000074946734 567903653 /nfs/dbraw/zinc/90/36/53/567903653.db2.gz QGYONIINPKASKM-UHFFFAOYSA-N 1 1 266.316 1.612 40 0 CDABMO [NH3+][C@H](c1nc(Cn2cccn2)n[nH]1)c1ccc(F)cc1 ZINC000095533291 185006364 /nfs/dbraw/zinc/00/63/64/185006364.db2.gz CIAVOBGDQOAOJY-LBPRGKRZSA-N 1 1 272.287 1.237 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2ccncc2)[C@H]1Cc1ccncc1 ZINC000096061653 185082659 /nfs/dbraw/zinc/08/26/59/185082659.db2.gz KXMZCDIIJIBPKV-HOTGVXAUSA-N 1 1 269.348 1.655 40 0 CDABMO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(c1nncs1)C2 ZINC000096071639 185086367 /nfs/dbraw/zinc/08/63/67/185086367.db2.gz PLPXQEPXLASPOJ-AWEZNQCLSA-N 1 1 295.456 1.392 40 0 CDABMO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(c1nncs1)C2 ZINC000096071639 185086368 /nfs/dbraw/zinc/08/63/68/185086368.db2.gz PLPXQEPXLASPOJ-AWEZNQCLSA-N 1 1 295.456 1.392 40 0 CDABMO COCCN1C(=O)CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccoc1 ZINC000096083139 185091950 /nfs/dbraw/zinc/09/19/50/185091950.db2.gz IKRPSGXTDZHOHC-KGLIPLIRSA-N 1 1 278.352 1.491 40 0 CDABMO COCC[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)noc3C)C[C@@H]21 ZINC000585108610 342213270 /nfs/dbraw/zinc/21/32/70/342213270.db2.gz LRDXYQXRNUJEKI-OLZOCXBDSA-N 1 1 293.367 1.084 40 0 CDABMO O=C(CN1CCOCC1)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253493092 342429804 /nfs/dbraw/zinc/42/98/04/342429804.db2.gz SDSXUQAOBNTGTH-HUUCEWRRSA-N 1 1 296.411 1.126 40 0 CDABMO CNc1cncc([C@@H]2CCC[N@H+]2C2CCN(C)CC2)n1 ZINC000257261972 362580562 /nfs/dbraw/zinc/58/05/62/362580562.db2.gz LJMPYJRMTJXMIW-AWEZNQCLSA-N 1 1 275.400 1.749 40 0 CDABMO CNc1cncc([C@@H]2CCCN2C2CC[NH+](C)CC2)n1 ZINC000257261972 362580565 /nfs/dbraw/zinc/58/05/65/362580565.db2.gz LJMPYJRMTJXMIW-AWEZNQCLSA-N 1 1 275.400 1.749 40 0 CDABMO O=C1NCC[C@]12CCC[N@@H+](Cc1ccncc1)CC2 ZINC000108526765 186221335 /nfs/dbraw/zinc/22/13/35/186221335.db2.gz HBLSKPPHUIOCIS-HNNXBMFYSA-N 1 1 259.353 1.574 40 0 CDABMO CNC(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000108530009 186222343 /nfs/dbraw/zinc/22/23/43/186222343.db2.gz CJJZFCXGSMEJIR-GOEBONIOSA-N 1 1 273.380 1.820 40 0 CDABMO CNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cnc(C)nc1)C2 ZINC000108535584 186222411 /nfs/dbraw/zinc/22/24/11/186222411.db2.gz WLDHZKNCVXTDRC-HOCLYGCPSA-N 1 1 288.395 1.523 40 0 CDABMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000012396461 356297789 /nfs/dbraw/zinc/29/77/89/356297789.db2.gz FQHLJVSSOPTSPG-LBPRGKRZSA-N 1 1 251.330 1.195 40 0 CDABMO CC[N@@H+](CCO)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393514 356989341 /nfs/dbraw/zinc/98/93/41/356989341.db2.gz MHKVOFXLYJGGFP-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO CCN(CCO)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393514 356989345 /nfs/dbraw/zinc/98/93/45/356989345.db2.gz MHKVOFXLYJGGFP-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO CCN(CCO)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393514 356989349 /nfs/dbraw/zinc/98/93/49/356989349.db2.gz MHKVOFXLYJGGFP-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO CC(C)[N@H+]1CCC[C@H](c2cnc(N3CCOCC3)cn2)C1 ZINC000072364847 357830993 /nfs/dbraw/zinc/83/09/93/357830993.db2.gz VPTIORFCROQAMX-AWEZNQCLSA-N 1 1 290.411 1.901 40 0 CDABMO COCC[N@H+]1CCC[C@]12CCCN(Cc1cnn(C)c1)C2 ZINC000096203220 358718893 /nfs/dbraw/zinc/71/88/93/358718893.db2.gz JXAWNKQTRAIZNV-INIZCTEOSA-N 1 1 292.427 1.497 40 0 CDABMO C[N@H+]1CC[C@@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096201938 358719313 /nfs/dbraw/zinc/71/93/13/358719313.db2.gz NSFNFCONZOBXSR-AWEZNQCLSA-N 1 1 280.393 1.542 40 0 CDABMO Cc1nnc(C[C@H]2C[C@H]3C[N@@H+](Cc4ccoc4)C[C@H]3O2)o1 ZINC000096215980 358721473 /nfs/dbraw/zinc/72/14/73/358721473.db2.gz AQMOIDXWULQUCB-BFHYXJOUSA-N 1 1 289.335 1.803 40 0 CDABMO CN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc[nH]1)C2 ZINC000096229705 358724192 /nfs/dbraw/zinc/72/41/92/358724192.db2.gz CFXFMORMJVPPRP-OAHLLOKOSA-N 1 1 261.369 1.992 40 0 CDABMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccoc1)C2 ZINC000097953346 358806943 /nfs/dbraw/zinc/80/69/43/358806943.db2.gz JPMLLRBHPMMCJA-TZMCWYRMSA-N 1 1 264.325 1.007 40 0 CDABMO C[NH2+]Cc1cnc(N2CCN(C(C)C)CC2)c(C)c1 ZINC000072222676 359055726 /nfs/dbraw/zinc/05/57/26/359055726.db2.gz VZRGJACPOIMPOH-UHFFFAOYSA-N 1 1 262.401 1.640 40 0 CDABMO COCC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000223741598 359451881 /nfs/dbraw/zinc/45/18/81/359451881.db2.gz XAIPZMDPNSFVCL-UHFFFAOYSA-N 1 1 259.309 1.443 40 0 CDABMO CCN(C(=O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000060512612 359829476 /nfs/dbraw/zinc/82/94/76/359829476.db2.gz CIEGNGXAEJDRFD-UHFFFAOYSA-N 1 1 261.369 1.287 40 0 CDABMO CCC[N@@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1C(=O)N2C ZINC000514289639 360119932 /nfs/dbraw/zinc/11/99/32/360119932.db2.gz MPIFQIDBIZUFJK-NEPJUHHUSA-N 1 1 261.325 1.009 40 0 biogenic,in-vitro CDABMO C[N@H+]1CCC[C@H](CNC(=O)NCCC(F)(F)F)C1 ZINC000074161588 360582077 /nfs/dbraw/zinc/58/20/77/360582077.db2.gz NCYMHJWWWMONMY-SECBINFHSA-N 1 1 267.295 1.580 40 0 CDABMO C[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015674978 360770477 /nfs/dbraw/zinc/77/04/77/360770477.db2.gz PFJSSAVIPNZWQN-ZJUUUORDSA-N 1 1 289.291 1.203 40 0 biogenic,in-vitro CDABMO C[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015674978 360770483 /nfs/dbraw/zinc/77/04/83/360770483.db2.gz PFJSSAVIPNZWQN-ZJUUUORDSA-N 1 1 289.291 1.203 40 0 biogenic,in-vitro CDABMO Cc1[nH+]ccn1CCNS(=O)(=O)Cc1cccc(C)c1 ZINC000049461347 373999532 /nfs/dbraw/zinc/99/95/32/373999532.db2.gz UVLRTJQIZVEBSF-UHFFFAOYSA-N 1 1 293.392 1.620 40 0 CDABMO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3cc(C)on3)C2)C1 ZINC000306130130 374968538 /nfs/dbraw/zinc/96/85/38/374968538.db2.gz IWXQOHSDCYMMHF-LBPRGKRZSA-N 1 1 293.367 1.166 40 0 CDABMO COC[C@H]1CC[N@@H+](C)C2(CN(C(=O)c3cc(C)on3)C2)C1 ZINC000306130130 374968541 /nfs/dbraw/zinc/96/85/41/374968541.db2.gz IWXQOHSDCYMMHF-LBPRGKRZSA-N 1 1 293.367 1.166 40 0 CDABMO CC(C)Cn1cc(C[NH2+]Cc2ccnn2CCF)cn1 ZINC000256054194 190005208 /nfs/dbraw/zinc/00/52/08/190005208.db2.gz VHNJXUJZHZYRFM-UHFFFAOYSA-N 1 1 279.363 1.995 40 0 CDABMO CC(C)Cn1nccc1C[NH2+]Cc1ccnn1CCF ZINC000256049924 190002962 /nfs/dbraw/zinc/00/29/62/190002962.db2.gz BZDLBJIMSDPRJH-UHFFFAOYSA-N 1 1 279.363 1.995 40 0 CDABMO Cc1cnn(C)c1C[NH2+]Cc1ccnn1C(F)F ZINC000256049957 190003158 /nfs/dbraw/zinc/00/31/58/190003158.db2.gz CBPLMYQAOUEBMX-UHFFFAOYSA-N 1 1 255.272 1.610 40 0 CDABMO Cc1nn(C)c(F)c1C[NH2+]Cc1ccnn1C(C)C ZINC000256054867 190005733 /nfs/dbraw/zinc/00/57/33/190005733.db2.gz YCXJJFOITUFSCV-UHFFFAOYSA-N 1 1 265.336 1.935 40 0 CDABMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000257207604 190011780 /nfs/dbraw/zinc/01/17/80/190011780.db2.gz BILQVCCARYOOOM-GJZGRUSLSA-N 1 1 262.353 1.148 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@]12CCCO2 ZINC000257226934 190015336 /nfs/dbraw/zinc/01/53/36/190015336.db2.gz FMUNDACWBCJZGP-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO C[N@H+]1CCC[C@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257300543 190029012 /nfs/dbraw/zinc/02/90/12/190029012.db2.gz RURBJGPKDXTDQP-NSHDSACASA-N 1 1 261.325 1.847 40 0 CDABMO COc1ccc([C@@H]2C[NH2+]CCN2Cc2cnc[nH]2)cc1 ZINC000257321968 190033889 /nfs/dbraw/zinc/03/38/89/190033889.db2.gz WECDYXDNKUZSFD-HNNXBMFYSA-N 1 1 272.352 1.565 40 0 CDABMO Cc1c[nH]c([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257330363 190034797 /nfs/dbraw/zinc/03/47/97/190034797.db2.gz XOBAEPIRNPEXIE-ZDUSSCGKSA-N 1 1 276.384 1.520 40 0 CDABMO CCOCC[N@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257328644 190034863 /nfs/dbraw/zinc/03/48/63/190034863.db2.gz XGNZVPSTLJCTPK-ZDUSSCGKSA-N 1 1 290.367 1.998 40 0 CDABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)N3CCCC3)C2)C1 ZINC000096049622 285349178 /nfs/dbraw/zinc/34/91/78/285349178.db2.gz WSAZDTAKHVDRCR-INIZCTEOSA-N 1 1 295.427 1.637 40 0 CDABMO C[NH+]1CCN([C@H]2c3ccccc3OC(C)(C)[C@H]2O)CC1 ZINC000019366513 390226994 /nfs/dbraw/zinc/22/69/94/390226994.db2.gz BKTHJGILZXJQLV-GJZGRUSLSA-N 1 1 276.380 1.507 40 0 CDABMO C[NH+]1CCN(C(=S)NC(=O)c2ccc(F)cc2)CC1 ZINC000020218692 171082226 /nfs/dbraw/zinc/08/22/26/171082226.db2.gz CAKZVILUOZVIEK-UHFFFAOYSA-N 1 1 281.356 1.088 40 0 CDABMO Cc1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1C ZINC000022795327 171399451 /nfs/dbraw/zinc/39/94/51/171399451.db2.gz LXOHRVXUXOHDAZ-UHFFFAOYSA-N 1 1 261.369 1.489 40 0 CDABMO Cc1cccc(OC[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000072367783 176382776 /nfs/dbraw/zinc/38/27/76/176382776.db2.gz HXMIWBPHZSSUQU-CYBMUJFWSA-N 1 1 262.353 1.571 40 0 CDABMO OCC[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000072381319 176387788 /nfs/dbraw/zinc/38/77/88/176387788.db2.gz PEFAIGUWLIYXCS-MRVPVSSYSA-N 1 1 263.263 1.600 40 0 CDABMO C[N@H+]1CCc2ncnc(-c3ccc4c(c3)OCO4)c2CC1 ZINC000096084010 277189457 /nfs/dbraw/zinc/18/94/57/277189457.db2.gz LBSSNTKDDUGMRK-UHFFFAOYSA-N 1 1 283.331 1.903 40 0 CDABMO C[C@@H]1Cc2ccccc2N1C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000226216208 279019590 /nfs/dbraw/zinc/01/95/90/279019590.db2.gz XHIONXYOTPIENM-CZUORRHYSA-N 1 1 260.381 1.894 40 0 CDABMO Cc1cc(=O)cc([C@H]2CCC[N@H+]2C2CCOCC2)[nH]1 ZINC000072364353 301066265 /nfs/dbraw/zinc/06/62/65/301066265.db2.gz ITGDSPLUYOQEHF-OAHLLOKOSA-N 1 1 262.353 1.999 40 0 CDABMO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000922026201 921252262 /nfs/dbraw/zinc/25/22/62/921252262.db2.gz NAFMKHRCHJPOMW-LLVKDONJSA-N 1 1 260.403 1.141 40 0 CDABMO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)C1CC1 ZINC000922026201 921252266 /nfs/dbraw/zinc/25/22/66/921252266.db2.gz NAFMKHRCHJPOMW-LLVKDONJSA-N 1 1 260.403 1.141 40 0 CDABMO C[C@@]1(C(=O)N2CC[NH2+]Cc3ccccc32)CCOC1 ZINC000687359565 934282459 /nfs/dbraw/zinc/28/24/59/934282459.db2.gz SSEWUMBWNWRGHE-OAHLLOKOSA-N 1 1 260.337 1.549 40 0 CDABMO O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001547139904 974833588 /nfs/dbraw/zinc/83/35/88/974833588.db2.gz GSVVZNYQAGBDOE-YJNKXOJESA-N 1 1 260.381 1.895 40 0 CDABMO COc1cccc([C@@H]([NH3+])c2nc(-c3ccccn3)n[nH]2)c1 ZINC000095533539 185007655 /nfs/dbraw/zinc/00/76/55/185007655.db2.gz BTUFOKDUPZCLER-CYBMUJFWSA-N 1 1 281.319 1.923 40 0 CDABMO [NH3+][C@@H](Cc1ccccc1)c1nnc(Cn2cccn2)[nH]1 ZINC000095534872 185008167 /nfs/dbraw/zinc/00/81/67/185008167.db2.gz DCAIXEXLOGVKAO-LBPRGKRZSA-N 1 1 268.324 1.292 40 0 CDABMO CNC(=O)[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2N1C ZINC000096054208 185076142 /nfs/dbraw/zinc/07/61/42/185076142.db2.gz RGEQVYSZTPZWDV-AEGPPILISA-N 1 1 291.370 1.076 40 0 CDABMO CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2[N@@H+]1C ZINC000096054208 185076143 /nfs/dbraw/zinc/07/61/43/185076143.db2.gz RGEQVYSZTPZWDV-AEGPPILISA-N 1 1 291.370 1.076 40 0 CDABMO CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2[N@H+]1C ZINC000096054208 185076144 /nfs/dbraw/zinc/07/61/44/185076144.db2.gz RGEQVYSZTPZWDV-AEGPPILISA-N 1 1 291.370 1.076 40 0 CDABMO c1ccc(CO[C@@H]2C[C@H]3C[N@@H+](CC4CC4)CCN3C2)nc1 ZINC000096055126 185076155 /nfs/dbraw/zinc/07/61/55/185076155.db2.gz XFZIQEZBAUMNGZ-DLBZAZTESA-N 1 1 287.407 1.767 40 0 CDABMO c1ccc(CO[C@@H]2C[C@H]3CN(CC4CC4)CC[N@@H+]3C2)nc1 ZINC000096055126 185076156 /nfs/dbraw/zinc/07/61/56/185076156.db2.gz XFZIQEZBAUMNGZ-DLBZAZTESA-N 1 1 287.407 1.767 40 0 CDABMO c1ccc(CO[C@@H]2C[C@H]3CN(CC4CC4)CC[N@H+]3C2)nc1 ZINC000096055126 185076157 /nfs/dbraw/zinc/07/61/57/185076157.db2.gz XFZIQEZBAUMNGZ-DLBZAZTESA-N 1 1 287.407 1.767 40 0 CDABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(CC1CC1)C2 ZINC000096061790 185083455 /nfs/dbraw/zinc/08/34/55/185083455.db2.gz QSPDHYPZIOHQFK-UHFFFAOYSA-N 1 1 262.401 1.949 40 0 CDABMO CC[N@H+]1CC[C@H]2C[C@@H](C(=O)NCC3CCOCC3)O[C@@H]2C1 ZINC000096066193 185083608 /nfs/dbraw/zinc/08/36/08/185083608.db2.gz SVZMIOXENYKSNV-SOUVJXGZSA-N 1 1 296.411 1.029 40 0 CDABMO CC(C)[N@H+]1CCOC[C@](O)(COc2cccc(F)c2)C1 ZINC000585268966 342254472 /nfs/dbraw/zinc/25/44/72/342254472.db2.gz GAUVHKXYPRMRIC-HNNXBMFYSA-N 1 1 283.343 1.676 40 0 CDABMO CO[C@@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000585276421 342256438 /nfs/dbraw/zinc/25/64/38/342256438.db2.gz OMYVCKRYKHIHJU-OAHLLOKOSA-N 1 1 294.399 1.259 40 0 CDABMO CO[C@@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585276421 342256439 /nfs/dbraw/zinc/25/64/39/342256439.db2.gz OMYVCKRYKHIHJU-OAHLLOKOSA-N 1 1 294.399 1.259 40 0 CDABMO CNc1cc(CC[C@@H]2CN(c3cnccn3)CCO2)cc[nH+]1 ZINC000257211545 362577730 /nfs/dbraw/zinc/57/77/30/362577730.db2.gz BZHVFOPDKMJPLG-CQSZACIVSA-N 1 1 299.378 1.751 40 0 CDABMO Cc1cc(N2CC[C@H]3NC(=O)CCC[C@H]32)nc(C)[nH+]1 ZINC000019713259 348736098 /nfs/dbraw/zinc/73/60/98/348736098.db2.gz QLUNVUSSLQFHLY-VXGBXAGGSA-N 1 1 260.341 1.341 40 0 CDABMO CC(C)NC(=O)C[C@H]1[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]12 ZINC000107745854 186189120 /nfs/dbraw/zinc/18/91/20/186189120.db2.gz CXBFRXBQHVEJIP-BTTYYORXSA-N 1 1 276.384 1.013 40 0 CDABMO CC(C)(O)C[N@H+]1CCC[C@@]2(C[C@@H](c3cncnc3)CO2)C1 ZINC000107787174 186191989 /nfs/dbraw/zinc/19/19/89/186191989.db2.gz BMOFOBUCYAPTBV-CZUORRHYSA-N 1 1 291.395 1.586 40 0 CDABMO OC[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2C[C@@H](O)C1 ZINC000005664245 356058116 /nfs/dbraw/zinc/05/81/16/356058116.db2.gz PWWVJGCOINBXJP-BFQNTYOBSA-N 1 1 286.375 1.830 40 0 CDABMO OC[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2C[C@@H](O)C1 ZINC000005664245 356058122 /nfs/dbraw/zinc/05/81/22/356058122.db2.gz PWWVJGCOINBXJP-BFQNTYOBSA-N 1 1 286.375 1.830 40 0 CDABMO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404616 356990484 /nfs/dbraw/zinc/99/04/84/356990484.db2.gz ZHIKMZFDHZAZOP-CVEARBPZSA-N 1 1 289.423 1.751 40 0 CDABMO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404619 356991042 /nfs/dbraw/zinc/99/10/42/356991042.db2.gz ZHIKMZFDHZAZOP-HOTGVXAUSA-N 1 1 289.423 1.751 40 0 CDABMO c1cnc(NCc2nnn3c2C[N@@H+](CC2CC2)CCC3)nc1 ZINC000096259496 358728832 /nfs/dbraw/zinc/72/88/32/358728832.db2.gz KSDBYZLVWRMXRX-UHFFFAOYSA-N 1 1 299.382 1.296 40 0 CDABMO C(c1noc2c1C[N@@H+](C[C@H]1CCOC1)CC2)N1CCCC1 ZINC000096259730 358729520 /nfs/dbraw/zinc/72/95/20/358729520.db2.gz VEHWFCBHTZNXOD-CYBMUJFWSA-N 1 1 291.395 1.665 40 0 CDABMO C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000305212687 364890919 /nfs/dbraw/zinc/89/09/19/364890919.db2.gz HMOSRHFGTRUENM-CZUORRHYSA-N 1 1 294.395 1.078 40 0 CDABMO COC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218466448 372828397 /nfs/dbraw/zinc/82/83/97/372828397.db2.gz VQQPKIRSACCTKV-SRVKXCTJSA-N 1 1 289.784 1.194 40 0 CDABMO CN1c2ncccc2C[N@@H+](Cc2cccnc2)CC[C@H]1CO ZINC000225492805 374546291 /nfs/dbraw/zinc/54/62/91/374546291.db2.gz UFEBCYGJWZMCRO-INIZCTEOSA-N 1 1 298.390 1.680 40 0 biogenic,in-vitro CDABMO CN1c2ncccc2C[N@H+](Cc2cccnc2)CC[C@H]1CO ZINC000225492805 374546294 /nfs/dbraw/zinc/54/62/94/374546294.db2.gz UFEBCYGJWZMCRO-INIZCTEOSA-N 1 1 298.390 1.680 40 0 biogenic,in-vitro CDABMO C[C@H]1[NH2+]CCn2c(COCC3CCOCC3)cnc21 ZINC000306136834 374969910 /nfs/dbraw/zinc/96/99/10/374969910.db2.gz QERFJIWDRBREHG-LLVKDONJSA-N 1 1 265.357 1.491 40 0 CDABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)C3CCC3)C2)C1 ZINC000306127133 374968155 /nfs/dbraw/zinc/96/81/55/374968155.db2.gz FPFIGXKVLARIJS-ZDUSSCGKSA-N 1 1 280.412 1.746 40 0 CDABMO Cc1nnc(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)nc1C ZINC000225586486 375166242 /nfs/dbraw/zinc/16/62/42/375166242.db2.gz GZAKYIXGALLMSH-AWEZNQCLSA-N 1 1 289.383 1.303 40 0 CDABMO CCn1cc(C[NH2+]Cc2c(C)nn(CC)c2F)cn1 ZINC000256052089 190004375 /nfs/dbraw/zinc/00/43/75/190004375.db2.gz LWURIUHLCWSPPK-UHFFFAOYSA-N 1 1 265.336 1.857 40 0 CDABMO CC(C)Cn1nccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000256052074 190004518 /nfs/dbraw/zinc/00/45/18/190004518.db2.gz LUUIIMIFDIACAC-UHFFFAOYSA-N 1 1 279.363 1.995 40 0 CDABMO CCN(CC)CC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256054565 190005583 /nfs/dbraw/zinc/00/55/83/190005583.db2.gz WVMZWPYLQXLCTI-UHFFFAOYSA-N 1 1 278.322 1.870 40 0 CDABMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(c2cnccn2)CC1 ZINC000257209503 190012206 /nfs/dbraw/zinc/01/22/06/190012206.db2.gz BQRHDKJGQHDANL-AWEZNQCLSA-N 1 1 274.368 1.277 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@@]12CCCO2 ZINC000257230916 190016554 /nfs/dbraw/zinc/01/65/54/190016554.db2.gz GEMNEHRELGWSPO-GJZGRUSLSA-N 1 1 265.328 1.942 40 0 CDABMO CNC(=O)[C@H]1CN(Cc2cccc(Cl)c2)CC[N@@H+](C)C1 ZINC000257223828 190014559 /nfs/dbraw/zinc/01/45/59/190014559.db2.gz DZBYOBIWWAKSQB-CYBMUJFWSA-N 1 1 295.814 1.450 40 0 CDABMO O[C@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@]12CCCO2 ZINC000257282631 190026236 /nfs/dbraw/zinc/02/62/36/190026236.db2.gz OUOKJZCDYNSQJM-GJZGRUSLSA-N 1 1 281.327 1.430 40 0 CDABMO CO[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H]1O ZINC000257272784 190024662 /nfs/dbraw/zinc/02/46/62/190024662.db2.gz NDWFTEBUNYTGES-YRGRVCCFSA-N 1 1 295.383 1.051 40 0 CDABMO C[N@@H+]1CCN(Cc2cnccn2)C[C@@H]1c1ccccc1 ZINC000257333856 190035946 /nfs/dbraw/zinc/03/59/46/190035946.db2.gz YDJYFADTBPYTIG-MRXNPFEDSA-N 1 1 268.364 1.965 40 0 CDABMO C[N@H+]1CCN(Cc2cnccn2)C[C@@H]1c1ccccc1 ZINC000257333856 190035947 /nfs/dbraw/zinc/03/59/47/190035947.db2.gz YDJYFADTBPYTIG-MRXNPFEDSA-N 1 1 268.364 1.965 40 0 CDABMO CCN1CC[NH+](C[C@@H](O)COC2CCC(C)CC2)CC1 ZINC000041690168 379449275 /nfs/dbraw/zinc/44/92/75/379449275.db2.gz SOMFTOZWGVTKOY-HWOWSKLDSA-N 1 1 284.444 1.580 40 0 CDABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000072227362 390625765 /nfs/dbraw/zinc/62/57/65/390625765.db2.gz NZHJLUDLENUZJT-LSDHHAIUSA-N 1 1 282.299 1.831 40 0 CDABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000072227665 390625923 /nfs/dbraw/zinc/62/59/23/390625923.db2.gz QACYQZCGXABVHD-CVEARBPZSA-N 1 1 296.326 1.873 40 0 CDABMO CC(=O)N1CCCC2(CC[NH+](CCN3CCCC3)CC2)C1 ZINC000096071866 398069516 /nfs/dbraw/zinc/06/95/16/398069516.db2.gz JWRBTWURNRLOCQ-UHFFFAOYSA-N 1 1 293.455 1.807 40 0 CDABMO CO[C@H]1C[N@H+](C2CCOCC2)CC[C@@]12CCCO2 ZINC000257260515 286072962 /nfs/dbraw/zinc/07/29/62/286072962.db2.gz LDFBPUQQAFJSQY-KBPBESRZSA-N 1 1 255.358 1.435 40 0 CDABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](CC1CC1)C2 ZINC000225495062 292377241 /nfs/dbraw/zinc/37/72/41/292377241.db2.gz MOFKCFJZIXAKHF-HNNXBMFYSA-N 1 1 275.396 1.803 40 0 biogenic,in-vitro CDABMO C[C@@H](C(=O)Nc1ccccc1F)N1CC[NH+](C)CC1 ZINC000022585671 171392619 /nfs/dbraw/zinc/39/26/19/171392619.db2.gz YKEZDHNVVCHLTE-NSHDSACASA-N 1 1 265.332 1.400 40 0 CDABMO CCC[N@H+]1C[C@H]2[C@H](C1)N(CC1CC1)C(=O)c1cccn12 ZINC000306141444 276014564 /nfs/dbraw/zinc/01/45/64/276014564.db2.gz VWKUIKSVVUPRLY-GJZGRUSLSA-N 1 1 273.380 1.989 40 0 CDABMO CC[N@H+]1CCOCC12CCN(c1cnccn1)CC2 ZINC000096226156 276204181 /nfs/dbraw/zinc/20/41/81/276204181.db2.gz ZWWLQLAKGUWHRO-UHFFFAOYSA-N 1 1 262.357 1.168 40 0 CDABMO CS[C@H]1CCC[C@@H]1[N@@H+](C)CC(=O)N1CCOCC1 ZINC000076147205 278161785 /nfs/dbraw/zinc/16/17/85/278161785.db2.gz PRPJFNRITHLYGP-RYUDHWBXSA-N 1 1 272.414 1.061 40 0 CDABMO C[C@]1(C(=O)N2CCOCC2)C[N@H+](C2CCCCC2)CCO1 ZINC000072379388 280145709 /nfs/dbraw/zinc/14/57/09/280145709.db2.gz ROUPPRWLGRZFNR-MRXNPFEDSA-N 1 1 296.411 1.269 40 0 CDABMO CC(C)c1[nH+]ccn1CCNc1ncnc2c1ncn2C ZINC000895989517 619939129 /nfs/dbraw/zinc/93/91/29/619939129.db2.gz RGDDEGWSISBKDA-UHFFFAOYSA-N 1 1 285.355 1.795 40 0 CDABMO CCCOC(=O)[C@@H]1CC(c2cnc(NCC)nc2)=[NH+]O1 ZINC000226080306 1160425436 /nfs/dbraw/zinc/42/54/36/1160425436.db2.gz LCUXACGGORARTB-NSHDSACASA-N 1 1 278.312 1.355 40 0 CDABMO CCOC(=O)C[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000259324126 1180497530 /nfs/dbraw/zinc/49/75/30/1180497530.db2.gz BYKNFCFZIWMFDF-JTQLQIEISA-N 1 1 272.345 1.149 40 0 CDABMO CC(=O)N[C@H]1C[N@H+](C)C2(C1)CC[NH+](C1CCCCC1)CC2 ZINC000019695874 342538516 /nfs/dbraw/zinc/53/85/16/342538516.db2.gz ORBXWUGYJAWTAH-OAHLLOKOSA-N 1 1 293.455 1.994 40 0 CDABMO CC(=O)N[C@H]1CN(C)C2(C1)CC[NH+](C1CCCCC1)CC2 ZINC000019695874 342538517 /nfs/dbraw/zinc/53/85/17/342538517.db2.gz ORBXWUGYJAWTAH-OAHLLOKOSA-N 1 1 293.455 1.994 40 0 CDABMO CC(=O)N[C@H]1C[N@@H+](C)C2(C1)CCN(C1CCCCC1)CC2 ZINC000019695874 342538518 /nfs/dbraw/zinc/53/85/18/342538518.db2.gz ORBXWUGYJAWTAH-OAHLLOKOSA-N 1 1 293.455 1.994 40 0 CDABMO CC(=O)N[C@H]1C[N@H+](C)C2(C1)CCN(C1CCCCC1)CC2 ZINC000019695874 342538519 /nfs/dbraw/zinc/53/85/19/342538519.db2.gz ORBXWUGYJAWTAH-OAHLLOKOSA-N 1 1 293.455 1.994 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccncc3)C[C@@H]2O1 ZINC000096043162 185071019 /nfs/dbraw/zinc/07/10/19/185071019.db2.gz BEDORPOVLGEILD-ZNMIVQPWSA-N 1 1 289.379 1.149 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccncc3)C[C@@H]2O1 ZINC000096043162 185071021 /nfs/dbraw/zinc/07/10/21/185071021.db2.gz BEDORPOVLGEILD-ZNMIVQPWSA-N 1 1 289.379 1.149 40 0 CDABMO O=C1C[C@@]2(CC[N@@H+](Cc3ccoc3)C2)CN1c1cncnc1 ZINC000096050824 185074213 /nfs/dbraw/zinc/07/42/13/185074213.db2.gz RMECSFACCLOEBG-MRXNPFEDSA-N 1 1 298.346 1.699 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1scnc1C)CC[C@H]2OC ZINC000096108531 185099536 /nfs/dbraw/zinc/09/95/36/185099536.db2.gz NWLPRWALAPKJFG-BFHYXJOUSA-N 1 1 295.452 1.993 40 0 CDABMO Cc1snnc1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000585108111 342213330 /nfs/dbraw/zinc/21/33/30/342213330.db2.gz FHTSXBSFSPLEMU-NWDGAFQWSA-N 1 1 292.408 1.545 40 0 CDABMO COCc1nnc2n1CC[N@H+](Cc1ccco1)[C@H](C)C2 ZINC000585097091 342211904 /nfs/dbraw/zinc/21/19/04/342211904.db2.gz FQQOGILJRPCNFV-LLVKDONJSA-N 1 1 276.340 1.464 40 0 CDABMO Cc1nnsc1C(=O)N1CCC[C@@]12CCC[N@H+](C)CC2 ZINC000585100603 342211940 /nfs/dbraw/zinc/21/19/40/342211940.db2.gz PHOSJFJIXQLLJN-CQSZACIVSA-N 1 1 294.424 1.937 40 0 CDABMO CO[C@H]1C[N@H+](Cc2ncccc2F)C[C@H]1CC(=O)N(C)C ZINC000585276236 342256256 /nfs/dbraw/zinc/25/62/56/342256256.db2.gz DZKCWVGSEFTDNW-RISCZKNCSA-N 1 1 295.358 1.146 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ncccc2F)C[C@H]1CC(=O)N(C)C ZINC000585276236 342256257 /nfs/dbraw/zinc/25/62/57/342256257.db2.gz DZKCWVGSEFTDNW-RISCZKNCSA-N 1 1 295.358 1.146 40 0 CDABMO COC[C@@H]1CC[N@@H+](C)C2(CN(c3cc(OC)ncn3)C2)C1 ZINC000248083977 362149488 /nfs/dbraw/zinc/14/94/88/362149488.db2.gz AVNKHVXUCZWPAR-GFCCVEGCSA-N 1 1 292.383 1.032 40 0 CDABMO COCc1ccc([C@H]2CCC[N@H+]2C[C@](C)(O)C(C)=O)o1 ZINC000332386903 362500548 /nfs/dbraw/zinc/50/05/48/362500548.db2.gz QCEOFVMKDGVYEC-HIFRSBDPSA-N 1 1 281.352 1.903 40 0 CDABMO Cn1c2ccccc2nc1C1CC[NH+](CC(N)=O)CC1 ZINC000257273837 362582700 /nfs/dbraw/zinc/58/27/00/362582700.db2.gz NILOHAGQPIFXIZ-UHFFFAOYSA-N 1 1 272.352 1.238 40 0 CDABMO C(CN1CCOCC1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001676235 355945800 /nfs/dbraw/zinc/94/58/00/355945800.db2.gz RIRPALZBRVUNDU-GASCZTMLSA-N 1 1 252.402 1.831 40 0 CDABMO C[NH+]1CCN([C@@H]2c3ccccc3OC(C)(C)[C@H]2O)CC1 ZINC000019366514 356482374 /nfs/dbraw/zinc/48/23/74/356482374.db2.gz BKTHJGILZXJQLV-CABCVRRESA-N 1 1 276.380 1.507 40 0 CDABMO CCc1ncc(C[N@H+]2CCCC[C@@H]2CCNC(C)=O)cn1 ZINC000019745878 356498932 /nfs/dbraw/zinc/49/89/32/356498932.db2.gz DLLITCOBJWUFFJ-OAHLLOKOSA-N 1 1 290.411 1.920 40 0 CDABMO Cc1cc(N2CCN(Cc3cnn(C)c3)CC2)nc(C)[nH+]1 ZINC000072367981 357830928 /nfs/dbraw/zinc/83/09/28/357830928.db2.gz XXKGVUOKGUJBEZ-UHFFFAOYSA-N 1 1 286.383 1.149 40 0 CDABMO C[N@H+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000082307829 358158139 /nfs/dbraw/zinc/15/81/39/358158139.db2.gz RGXPNAKKVJCQJJ-GFCCVEGCSA-N 1 1 276.336 1.373 40 0 CDABMO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096187229 358715496 /nfs/dbraw/zinc/71/54/96/358715496.db2.gz FLWVQBGTGWDTLC-MGPQQGTHSA-N 1 1 294.420 1.958 40 0 CDABMO O[C@@H]1CC[N@@H+](C[C@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200039 358718075 /nfs/dbraw/zinc/71/80/75/358718075.db2.gz LZKVVOHGYNJTET-OWCLPIDISA-N 1 1 261.365 1.701 40 0 CDABMO CO[C@@H]1CC[N@@H+](C[C@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200149 358718537 /nfs/dbraw/zinc/71/85/37/358718537.db2.gz OPHSKPHKPVVZEQ-OWCLPIDISA-N 1 1 276.380 1.750 40 0 CDABMO O=C1C[C@@]2(CC[N@@H+](CC3CC3)C2)CN1c1cccnc1 ZINC000096239130 358724087 /nfs/dbraw/zinc/72/40/87/358724087.db2.gz VDVMXJYPNRJPQQ-MRXNPFEDSA-N 1 1 271.364 1.920 40 0 CDABMO C[N@H+]1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244281 358725114 /nfs/dbraw/zinc/72/51/14/358725114.db2.gz WROPEUSVOUHQBO-INIZCTEOSA-N 1 1 282.347 1.642 40 0 CDABMO Cn1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2=O)cn1 ZINC000096245258 358725355 /nfs/dbraw/zinc/72/53/55/358725355.db2.gz WYIJKEDZMIQWDK-HOCLYGCPSA-N 1 1 296.374 1.515 40 0 CDABMO CC(C)Nc1ncnc2c1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096255541 358728429 /nfs/dbraw/zinc/72/84/29/358728429.db2.gz VOUHAGOKCXNOJP-CYBMUJFWSA-N 1 1 290.411 1.734 40 0 CDABMO COC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000075838896 366893812 /nfs/dbraw/zinc/89/38/12/366893812.db2.gz OOBDHEYVBWJEML-JKSUJKDBSA-N 1 1 278.396 1.897 40 0 CDABMO CC(C)(C)NC(=O)N1CCC[N@@H+](CCn2cccn2)CC1 ZINC000075162621 367948931 /nfs/dbraw/zinc/94/89/31/367948931.db2.gz QHUCQJJJVGWDKM-UHFFFAOYSA-N 1 1 293.415 1.399 40 0 CDABMO Cc1c(C[NH2+]Cc2cn(C)nc2C(F)(F)F)cnn1C ZINC000119275354 372356002 /nfs/dbraw/zinc/35/60/02/372356002.db2.gz ZMHPEXXRDUVFEZ-UHFFFAOYSA-N 1 1 287.289 1.771 40 0 CDABMO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1cnn(C)c1 ZINC000096081915 296187440 /nfs/dbraw/zinc/18/74/40/296187440.db2.gz AHLHTZHQRRSCAB-HLPPOEQASA-N 1 1 292.427 1.561 40 0 CDABMO c1c[nH]c(C[N@@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)n1 ZINC000049169626 373982094 /nfs/dbraw/zinc/98/20/94/373982094.db2.gz QXHXZWIMQDFIFJ-LBPRGKRZSA-N 1 1 296.334 1.844 40 0 biogenic,in-vitro CDABMO c1c[nH]c(C[N@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)n1 ZINC000049169626 373982097 /nfs/dbraw/zinc/98/20/97/373982097.db2.gz QXHXZWIMQDFIFJ-LBPRGKRZSA-N 1 1 296.334 1.844 40 0 biogenic,in-vitro CDABMO CC(C)COCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000225426976 374359962 /nfs/dbraw/zinc/35/99/62/374359962.db2.gz UMOJEDJTZYOFSW-LBPRGKRZSA-N 1 1 263.403 1.026 40 0 CDABMO CC(C)COCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000225426976 374359964 /nfs/dbraw/zinc/35/99/64/374359964.db2.gz UMOJEDJTZYOFSW-LBPRGKRZSA-N 1 1 263.403 1.026 40 0 CDABMO CCCNC(=O)CCCC(=O)N1CCC[N@@H+](CC)CC1 ZINC000079001691 374754482 /nfs/dbraw/zinc/75/44/82/374754482.db2.gz PIJQVGHCYJTTGT-UHFFFAOYSA-N 1 1 283.416 1.237 40 0 CDABMO CCOC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000079355231 374795715 /nfs/dbraw/zinc/79/57/15/374795715.db2.gz WBIUPXVTPZEVTL-ZFWWWQNUSA-N 1 1 265.353 1.537 40 0 CDABMO C[NH+](C)CCNCc1cnn(CC(F)(F)F)c1 ZINC000256053802 190004674 /nfs/dbraw/zinc/00/46/74/190004674.db2.gz SXJYZZIQEXJFRT-UHFFFAOYSA-N 1 1 250.268 1.097 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@@H](c3n[nH]cc3C)C2)CC1 ZINC000257205533 190011520 /nfs/dbraw/zinc/01/15/20/190011520.db2.gz AZMWZGPTBTYUCZ-CYBMUJFWSA-N 1 1 276.384 1.518 40 0 CDABMO C[C@]1(C(N)=O)C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257270873 190024335 /nfs/dbraw/zinc/02/43/35/190024335.db2.gz MVZPYRSYKIILHF-OAHLLOKOSA-N 1 1 290.388 1.978 40 0 CDABMO C[C@]1(C(N)=O)C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257270873 190024336 /nfs/dbraw/zinc/02/43/36/190024336.db2.gz MVZPYRSYKIILHF-OAHLLOKOSA-N 1 1 290.388 1.978 40 0 CDABMO CCn1cc(Cl)c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000002767069 378053876 /nfs/dbraw/zinc/05/38/76/378053876.db2.gz CXSAIDGRPUMDSK-JTQLQIEISA-N 1 1 282.775 1.477 40 0 CDABMO Cn1c(C(=O)N2CC[NH+](C)CC2)cc2ccc(F)cc21 ZINC000040789151 378726003 /nfs/dbraw/zinc/72/60/03/378726003.db2.gz YIUCYMOCDFRIAU-UHFFFAOYSA-N 1 1 275.327 1.705 40 0 CDABMO C[N@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216507 390620627 /nfs/dbraw/zinc/62/06/27/390620627.db2.gz QWCOKQBOPGXDAF-AWEZNQCLSA-N 1 1 260.385 1.600 40 0 CDABMO CN1CCN(c2ccc([C@@H]3CCC[N@@H+]3C)cn2)CC1 ZINC000072216507 390620634 /nfs/dbraw/zinc/62/06/34/390620634.db2.gz QWCOKQBOPGXDAF-AWEZNQCLSA-N 1 1 260.385 1.600 40 0 CDABMO COc1ccc([C@@H]([NH3+])c2nnc(C3CC3)[nH]2)cc1OC ZINC000095533875 390608715 /nfs/dbraw/zinc/60/87/15/390608715.db2.gz SMAZMJHDQCNWDK-GFCCVEGCSA-N 1 1 274.324 1.747 40 0 CDABMO c1csc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)n1 ZINC000096110658 390947538 /nfs/dbraw/zinc/94/75/38/390947538.db2.gz LXWQKQJTXNFQOM-VXGBXAGGSA-N 1 1 287.392 1.501 40 0 CDABMO O=C1C[C@@H]([NH2+]Cc2ncc[nH]2)CN1c1ccccc1 ZINC000238107663 390905114 /nfs/dbraw/zinc/90/51/14/390905114.db2.gz PQVQWNOIFMSNPF-LLVKDONJSA-N 1 1 256.309 1.305 40 0 CDABMO COC[C@@H]1C[N@H+](Cc2ccncc2)Cc2cn(C)nc21 ZINC000096059818 390912413 /nfs/dbraw/zinc/91/24/13/390912413.db2.gz DAIUYAHHLCDWQJ-AWEZNQCLSA-N 1 1 272.352 1.561 40 0 CDABMO COC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2cn(C)nc21 ZINC000096059818 390912414 /nfs/dbraw/zinc/91/24/14/390912414.db2.gz DAIUYAHHLCDWQJ-AWEZNQCLSA-N 1 1 272.352 1.561 40 0 CDABMO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@@H+](C)C1 ZINC000257322594 391649780 /nfs/dbraw/zinc/64/97/80/391649780.db2.gz WGPUJYJHJUBJSH-VIFPVBQESA-N 1 1 290.392 1.812 40 0 CDABMO CCc1nc2c(c(=O)n1C)CC[N@@H+](CC1CCC1)CC2 ZINC000306132223 392104982 /nfs/dbraw/zinc/10/49/82/392104982.db2.gz LCCVMOJXRPDOIM-UHFFFAOYSA-N 1 1 275.396 1.543 40 0 CDABMO C[N@H+]1CCC[C@@H](CNC(=S)NCc2ccco2)C1 ZINC000009876514 170388181 /nfs/dbraw/zinc/38/81/81/170388181.db2.gz YEQARTZAKPVZCP-NSHDSACASA-N 1 1 267.398 1.586 40 0 CDABMO COc1cc(-c2noc(C[NH3+])n2)cc(OC)c1OC ZINC000020268666 171124944 /nfs/dbraw/zinc/12/49/44/171124944.db2.gz IGFBXAMJVLUPDY-UHFFFAOYSA-N 1 1 265.269 1.221 40 0 CDABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000038832758 174157371 /nfs/dbraw/zinc/15/73/71/174157371.db2.gz ITBFIMAOTSQBRG-UHFFFAOYSA-N 1 1 285.347 1.712 40 0 CDABMO COCCn1cnnc1[C@H]1CCC[N@H+](C(C)C)C1 ZINC000072359878 176377034 /nfs/dbraw/zinc/37/70/34/176377034.db2.gz DMQJZFPJQKXYRK-LBPRGKRZSA-N 1 1 252.362 1.512 40 0 CDABMO Cc1cc(Nc2ccnc(C3C[NH+](C)C3)n2)ncn1 ZINC000072378177 176385983 /nfs/dbraw/zinc/38/59/83/176385983.db2.gz SAKCKXJRVFKXCU-UHFFFAOYSA-N 1 1 256.313 1.348 40 0 CDABMO C[C@@]1(C(=O)N2CCOCC2)C[N@H+](C2CCCCC2)CCO1 ZINC000072379389 176386416 /nfs/dbraw/zinc/38/64/16/176386416.db2.gz ROUPPRWLGRZFNR-INIZCTEOSA-N 1 1 296.411 1.269 40 0 CDABMO C[C@@H](O)C[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC000096071878 278396148 /nfs/dbraw/zinc/39/61/48/278396148.db2.gz JXYKAAZUXKAMII-CQSZACIVSA-N 1 1 290.411 1.540 40 0 CDABMO Cc1nnc(NCCn2cc[nH+]c2C(C)C)nc1C ZINC000895987712 619938398 /nfs/dbraw/zinc/93/83/98/619938398.db2.gz KNRRNUGCLHRUFZ-UHFFFAOYSA-N 1 1 260.345 1.920 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096040974 185068714 /nfs/dbraw/zinc/06/87/14/185068714.db2.gz OKFVGCIOKQWXMU-IHRRRGAJSA-N 1 1 294.420 1.816 40 0 CDABMO COCC[N@@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC000096042137 185070614 /nfs/dbraw/zinc/07/06/14/185070614.db2.gz GRIGSASYORTSGJ-SOUVJXGZSA-N 1 1 278.352 1.339 40 0 CDABMO COCC[N@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC000096042137 185070616 /nfs/dbraw/zinc/07/06/16/185070616.db2.gz GRIGSASYORTSGJ-SOUVJXGZSA-N 1 1 278.352 1.339 40 0 CDABMO O=C1C[C@@]2(CC[N@@H+](CC3CC3)C2)CN1c1ccccn1 ZINC000096050812 185073776 /nfs/dbraw/zinc/07/37/76/185073776.db2.gz CNWSXTCOJHZHRU-MRXNPFEDSA-N 1 1 271.364 1.920 40 0 CDABMO c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@H+](CC2CC2)C3)cn1 ZINC000096052082 185074662 /nfs/dbraw/zinc/07/46/62/185074662.db2.gz PKAXKJCIPPEIKT-HZPDHXFCSA-N 1 1 291.395 1.401 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccoc2)O1 ZINC000096055561 185075578 /nfs/dbraw/zinc/07/55/78/185075578.db2.gz WHMJKGJCEBSYAR-UPJWGTAASA-N 1 1 264.325 1.100 40 0 CDABMO COCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cscn1 ZINC000096063971 185083897 /nfs/dbraw/zinc/08/38/97/185083897.db2.gz BOTQCHMKWAFTCY-RYUDHWBXSA-N 1 1 281.381 1.078 40 0 CDABMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1nccn1C ZINC000096081923 185090888 /nfs/dbraw/zinc/09/08/88/185090888.db2.gz DMUYXOFAMKQXTI-BYNSBNAKSA-N 1 1 292.427 1.561 40 0 CDABMO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1nccn1C ZINC000096081923 185090889 /nfs/dbraw/zinc/09/08/89/185090889.db2.gz DMUYXOFAMKQXTI-BYNSBNAKSA-N 1 1 292.427 1.561 40 0 CDABMO COCC[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1cnn(C)c1 ZINC000096081913 185091230 /nfs/dbraw/zinc/09/12/30/185091230.db2.gz GORYBEZABZZINZ-SQWLQELKSA-N 1 1 292.427 1.827 40 0 CDABMO Cc1ccc(OC[C@@]2(O)C[N@H+](C3CCC3)CC[C@@H]2O)cc1 ZINC000585283176 342258549 /nfs/dbraw/zinc/25/85/49/342258549.db2.gz QRYNBWDHUDLOIY-IRXDYDNUSA-N 1 1 291.391 1.724 40 0 CDABMO Cc1ccc(OC[C@@]2(O)COCC[N@H+](C3CCC3)C2)cc1 ZINC000585284281 342258565 /nfs/dbraw/zinc/25/85/65/342258565.db2.gz WOGSNWUXCVHXBM-KRWDZBQOSA-N 1 1 291.391 1.990 40 0 CDABMO COCc1noc([C@@H](C)N2CC[N@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000333449452 362994638 /nfs/dbraw/zinc/99/46/38/362994638.db2.gz RKEPFNQLFHPMRT-NWDGAFQWSA-N 1 1 294.399 1.693 40 0 CDABMO CN1CC[C@@H]([N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)C1=O ZINC000195531546 363455990 /nfs/dbraw/zinc/45/59/90/363455990.db2.gz NISBGRIODMBHNH-BZUAXINKSA-N 1 1 288.391 1.805 40 0 CDABMO CC(C)Oc1cc(CCC(=O)N[C@@H]2CCC[N@@H+](C)C2)on1 ZINC000019450527 356485516 /nfs/dbraw/zinc/48/55/16/356485516.db2.gz KVPBTGWGXRMVJM-GFCCVEGCSA-N 1 1 295.383 1.605 40 0 CDABMO Cc1c(C[N@H+]2CC[C@H](C(=O)NC3CCCC3)C2)cnn1C ZINC000019747835 356499281 /nfs/dbraw/zinc/49/92/81/356499281.db2.gz CMSNPIJHMGFNMH-ZDUSSCGKSA-N 1 1 290.411 1.609 40 0 CDABMO CC[N@@H+](CCO)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393512 356990158 /nfs/dbraw/zinc/99/01/58/356990158.db2.gz MHKVOFXLYJGGFP-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO CCN(CCO)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393512 356990159 /nfs/dbraw/zinc/99/01/59/356990159.db2.gz MHKVOFXLYJGGFP-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO CCN(CCO)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393512 356990160 /nfs/dbraw/zinc/99/01/60/356990160.db2.gz MHKVOFXLYJGGFP-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO Fc1cnc(N2CCO[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)nc1 ZINC000096248861 358726876 /nfs/dbraw/zinc/72/68/76/358726876.db2.gz QPXMYRIRWRLUGX-KGLIPLIRSA-N 1 1 292.358 1.305 40 0 CDABMO CN(C)c1ncnc2c1CC[N@@H+](Cc1ccoc1)CC2 ZINC000096255384 358728382 /nfs/dbraw/zinc/72/83/82/358728382.db2.gz RNYSYZRILWJNCU-UHFFFAOYSA-N 1 1 272.352 1.736 40 0 CDABMO COCC[N@H+]1CCc2ncnc(NC3CC3)c2CC1 ZINC000096255490 358728772 /nfs/dbraw/zinc/72/87/72/358728772.db2.gz MEUQXWOQJNUISO-UHFFFAOYSA-N 1 1 262.357 1.098 40 0 CDABMO c1coc(CN2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)c1 ZINC000107252162 359017765 /nfs/dbraw/zinc/01/77/65/359017765.db2.gz FSGRPDZZEFBKGQ-IJEWVQPXSA-N 1 1 276.380 1.822 40 0 CDABMO O=C([C@@H]1CCO[C@@H]2CC[N@@H+](CC3CC3)C[C@H]21)N1CCCC1 ZINC000096058271 296039046 /nfs/dbraw/zinc/03/90/46/296039046.db2.gz NERABSQRMSCSFL-OWCLPIDISA-N 1 1 292.423 1.746 40 0 CDABMO CS[C@H]1CCC[C@H]1[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000076147573 367003203 /nfs/dbraw/zinc/00/32/03/367003203.db2.gz KCPWTQJIEKOVMT-NEPJUHHUSA-N 1 1 256.415 1.823 40 0 CDABMO CCS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@]1([NH3+])COC ZINC000218585357 373047203 /nfs/dbraw/zinc/04/72/03/373047203.db2.gz DIKLLSFLPFJZPF-AGIUHOORSA-N 1 1 287.356 1.070 40 0 CDABMO COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCC(=O)[O-] ZINC000062718547 374168527 /nfs/dbraw/zinc/16/85/27/374168527.db2.gz TXDJAHPNBDGZJD-UHFFFAOYSA-N 1 1 296.367 1.200 40 0 CDABMO CC(C)CCOCC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000079355216 374795937 /nfs/dbraw/zinc/79/59/37/374795937.db2.gz KGMBOMOHSGPTHB-AWEZNQCLSA-N 1 1 283.416 1.539 40 0 CDABMO CCOC[C@@H](O)C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000079099758 374770054 /nfs/dbraw/zinc/77/00/54/374770054.db2.gz PNIIHBAFQBJTNH-AWEZNQCLSA-N 1 1 292.379 1.401 40 0 CDABMO O=C([C@H]1C[N@@H+](C2CCC2)Cc2ccnn21)N1CC(F)(F)C1 ZINC000306137193 374969648 /nfs/dbraw/zinc/96/96/48/374969648.db2.gz QOGLCUCNWKMPIE-GFCCVEGCSA-N 1 1 296.321 1.270 40 0 CDABMO O=C([C@H]1C[N@H+](C2CCC2)Cc2ccnn21)N1CC(F)(F)C1 ZINC000306137193 374969653 /nfs/dbraw/zinc/96/96/53/374969653.db2.gz QOGLCUCNWKMPIE-GFCCVEGCSA-N 1 1 296.321 1.270 40 0 CDABMO CCOC[C@@H](O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000225633642 375174803 /nfs/dbraw/zinc/17/48/03/375174803.db2.gz CSQLBMVRESQGGG-STQMWFEESA-N 1 1 250.342 1.268 40 0 CDABMO CCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000230177900 375532538 /nfs/dbraw/zinc/53/25/38/375532538.db2.gz DIIJGYMCKOAPRN-MGPQQGTHSA-N 1 1 267.373 1.163 40 0 CDABMO FCCn1cc(C[NH2+]Cc2ccnn2C(F)F)cn1 ZINC000256050822 190003298 /nfs/dbraw/zinc/00/32/98/190003298.db2.gz GQGLZKAXPLLTQB-UHFFFAOYSA-N 1 1 273.262 1.734 40 0 CDABMO Cc1c[nH]c([C@@H]2CCC[N@H+]2CC2(O)CCOCC2)n1 ZINC000257206844 190011854 /nfs/dbraw/zinc/01/18/54/190011854.db2.gz BFCIANYOSLSYDU-LBPRGKRZSA-N 1 1 265.357 1.397 40 0 CDABMO Cn1cc(CN2CCC[C@@]3(C)[C@H]2CCC[N@H+]3C)cn1 ZINC000257278897 190025543 /nfs/dbraw/zinc/02/55/43/190025543.db2.gz OECOGBMJSPSETA-CABCVRRESA-N 1 1 262.401 1.869 40 0 CDABMO Cn1nccc1-c1cc(C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC000257287345 190027277 /nfs/dbraw/zinc/02/72/77/190027277.db2.gz PPNILNOXVBNLQA-ZDUSSCGKSA-N 1 1 256.353 1.976 40 0 CDABMO CCc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@@H](OC)C[C@@H]2C1 ZINC000257296989 190028977 /nfs/dbraw/zinc/02/89/77/190028977.db2.gz RFHKJUIGLYMTRX-ITGUQSILSA-N 1 1 277.368 1.329 40 0 CDABMO O=c1cc(C[C@H]2COCC[N@@H+](Cc3ccccc3)C2)nc[nH]1 ZINC000257321247 190033413 /nfs/dbraw/zinc/03/34/13/190033413.db2.gz WAVCABKZBUJQQT-OAHLLOKOSA-N 1 1 299.374 1.873 40 0 CDABMO C[N@@H+]1CCN(Cc2cnccn2)C[C@H]1c1ccccc1 ZINC000257333855 190035382 /nfs/dbraw/zinc/03/53/82/190035382.db2.gz YDJYFADTBPYTIG-INIZCTEOSA-N 1 1 268.364 1.965 40 0 CDABMO C[N@H+]1CCN(Cc2cnccn2)C[C@H]1c1ccccc1 ZINC000257333855 190035383 /nfs/dbraw/zinc/03/53/83/190035383.db2.gz YDJYFADTBPYTIG-INIZCTEOSA-N 1 1 268.364 1.965 40 0 CDABMO CC[N@H+]1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000334824749 377671394 /nfs/dbraw/zinc/67/13/94/377671394.db2.gz MOUUWWAEWODECL-OAHLLOKOSA-N 1 1 258.365 1.612 40 0 CDABMO C[N@H+]1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2O)C1 ZINC000004102420 391498963 /nfs/dbraw/zinc/49/89/63/391498963.db2.gz OYSGWKOGUVOGFQ-RBOXIYTFSA-N 1 1 273.332 1.547 40 0 in-vitro CDABMO [NH3+][C@H](Cc1ccccc1)c1nnc(Cn2cccn2)[nH]1 ZINC000095534873 393149542 /nfs/dbraw/zinc/14/95/42/393149542.db2.gz DCAIXEXLOGVKAO-GFCCVEGCSA-N 1 1 268.324 1.292 40 0 CDABMO C[N@@H+]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1c1ccccc1 ZINC000074563383 397943841 /nfs/dbraw/zinc/94/38/41/397943841.db2.gz CQKJYQJGKUEKNF-CQSZACIVSA-N 1 1 298.346 1.311 40 0 CDABMO C[N@H+]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1c1ccccc1 ZINC000074563383 397943845 /nfs/dbraw/zinc/94/38/45/397943845.db2.gz CQKJYQJGKUEKNF-CQSZACIVSA-N 1 1 298.346 1.311 40 0 CDABMO Nc1ncncc1-c1noc([C@@H]2CCC[N@H+]2CC2CC2)n1 ZINC000035426067 172193851 /nfs/dbraw/zinc/19/38/51/172193851.db2.gz UJSFTAWFJWRZNC-NSHDSACASA-N 1 1 286.339 1.656 40 0 biogenic,in-vitro CDABMO OCCCn1cc(C[N@H+]2CCC[C@H](O)C2)c2ccccc21 ZINC000072397869 176395702 /nfs/dbraw/zinc/39/57/02/176395702.db2.gz UVXZNOJGBSLHPF-HNNXBMFYSA-N 1 1 288.391 1.980 40 0 CDABMO CC(C)C[N@H+]1CCO[C@H](COC(=O)c2ccnc(F)c2)C1 ZINC000077957493 177312681 /nfs/dbraw/zinc/31/26/81/177312681.db2.gz OWEZPQRLKRHDLB-ZDUSSCGKSA-N 1 1 296.342 1.734 40 0 CDABMO N=C1NC(=[NH2+])NC2(CCCCC2)N1c1ccc(O)cc1 ZINC000000269193 303360036 /nfs/dbraw/zinc/36/00/36/303360036.db2.gz PVXSMHGBXBWSFK-UHFFFAOYSA-N 1 1 273.340 1.502 40 0 CDABMO Cc1cccc(NCC2(S(N)(=O)=O)CCC2)[nH+]1 ZINC000721536052 842841227 /nfs/dbraw/zinc/84/12/27/842841227.db2.gz RNKMZKCTLCORLH-UHFFFAOYSA-N 1 1 255.343 1.013 40 0 CDABMO c1cnc(N[C@H]2CO[C@]3(C2)CCC[N@H+](CC2CC2)C3)nc1 ZINC000096048402 185072708 /nfs/dbraw/zinc/07/27/08/185072708.db2.gz DGERXOLUBVBWDX-ZBFHGGJFSA-N 1 1 288.395 1.922 40 0 CDABMO Cn1cc(C[C@H]2[C@H](O)CC[N@H+]2Cc2cccs2)cn1 ZINC000096061611 185082216 /nfs/dbraw/zinc/08/22/16/185082216.db2.gz GVMWDQLQXASADU-UONOGXRCSA-N 1 1 277.393 1.660 40 0 CDABMO CCOCC(=O)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccn1 ZINC000096064028 185083982 /nfs/dbraw/zinc/08/39/82/185083982.db2.gz VXLFBMKHSFVVRJ-HUUCEWRRSA-N 1 1 289.379 1.293 40 0 CDABMO O=C1CCC[C@@]2(CCC[N@@H+](Cc3ccncc3)C2)N1 ZINC000096076996 185089173 /nfs/dbraw/zinc/08/91/73/185089173.db2.gz IJBCBPKCTVCSFV-HNNXBMFYSA-N 1 1 259.353 1.716 40 0 CDABMO CCC(CC)C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)COC)C1 ZINC000096108411 185099405 /nfs/dbraw/zinc/09/94/05/185099405.db2.gz YTXVNLPNQBXCEI-ZBFHGGJFSA-N 1 1 298.427 1.134 40 0 CDABMO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)no1 ZINC000096108740 185100012 /nfs/dbraw/zinc/10/00/12/185100012.db2.gz NLYLVXCOBYZAFI-GDBMZVCRSA-N 1 1 292.379 1.858 40 0 CDABMO Cc1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)no1 ZINC000096108740 185100013 /nfs/dbraw/zinc/10/00/13/185100013.db2.gz NLYLVXCOBYZAFI-GDBMZVCRSA-N 1 1 292.379 1.858 40 0 CDABMO CN(Cc1cccnc1)C[C@@H]1CC[C@@]2(C[NH2+]CCOC2)O1 ZINC000248007219 362143876 /nfs/dbraw/zinc/14/38/76/362143876.db2.gz ATCPTTQXVGVUEM-HOTGVXAUSA-N 1 1 291.395 1.051 40 0 CDABMO COC[C@@H]1CC[N@H+](C)C2(CN(c3nnc(C)s3)C2)C1 ZINC000248101810 362150231 /nfs/dbraw/zinc/15/02/31/362150231.db2.gz DYFWEWOGQVVCKW-LLVKDONJSA-N 1 1 282.413 1.394 40 0 CDABMO COC[C@@H]1CC[N@@H+](C)C2(CN(c3nnc(C)s3)C2)C1 ZINC000248101810 362150236 /nfs/dbraw/zinc/15/02/36/362150236.db2.gz DYFWEWOGQVVCKW-LLVKDONJSA-N 1 1 282.413 1.394 40 0 CDABMO CCC[N@H+]1CCN(C)C(=O)[C@@H](Cc2ccccn2)C1 ZINC000019700823 348736065 /nfs/dbraw/zinc/73/60/65/348736065.db2.gz UKBUOKHPVYGZNW-ZDUSSCGKSA-N 1 1 261.369 1.424 40 0 CDABMO OCC[N@@H+]1CCO[C@@H](Cc2cccc(Cl)c2)C1 ZINC000205676399 348744115 /nfs/dbraw/zinc/74/41/15/348744115.db2.gz XIDYSNWGYXBJDZ-ZDUSSCGKSA-N 1 1 255.745 1.576 40 0 CDABMO OCC[N@H+]1CCO[C@@H](Cc2cccc(Cl)c2)C1 ZINC000205676399 348744118 /nfs/dbraw/zinc/74/41/18/348744118.db2.gz XIDYSNWGYXBJDZ-ZDUSSCGKSA-N 1 1 255.745 1.576 40 0 CDABMO CNC(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1cncn1C)C2 ZINC000108535807 186222366 /nfs/dbraw/zinc/22/23/66/186222366.db2.gz RBLNWRQCEDSKPF-HIFRSBDPSA-N 1 1 276.384 1.158 40 0 CDABMO C[C@@H]1C[C@@H](NCc2nncn2-c2ccccc2)CC[N@H+]1C ZINC000152621872 188032272 /nfs/dbraw/zinc/03/22/72/188032272.db2.gz BNZSPDSGMKDABE-KGLIPLIRSA-N 1 1 285.395 1.840 40 0 CDABMO COC(=O)[C@H]([NH3+])CNc1ccc2cc(C(C)=O)ccc2c1 ZINC000215110774 356465944 /nfs/dbraw/zinc/46/59/44/356465944.db2.gz FWSYHNBFWPCECP-OAHLLOKOSA-N 1 1 286.331 1.955 40 0 CDABMO O=C1O[C@H](c2ccc(F)cc2)C[C@H]1C[NH+]1CCOCC1 ZINC000031795398 356769785 /nfs/dbraw/zinc/76/97/85/356769785.db2.gz NVVNTNPYGSSVPP-JSGCOSHPSA-N 1 1 279.311 1.762 40 0 CDABMO CN(C)c1nccnc1[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000072364354 357830977 /nfs/dbraw/zinc/83/09/77/357830977.db2.gz ZKXNTVNVDAXERO-ZDUSSCGKSA-N 1 1 276.384 1.859 40 0 CDABMO Cn1ccnc1C[N@@H+]1CC[C@H](c2ccnc3nccn32)C1 ZINC000072368058 357831255 /nfs/dbraw/zinc/83/12/55/357831255.db2.gz NCJAFZFJWAIUAZ-LBPRGKRZSA-N 1 1 282.351 1.452 40 0 CDABMO Cn1ccnc1C[N@H+]1CC[C@H](c2ccnc3nccn32)C1 ZINC000072368058 357831256 /nfs/dbraw/zinc/83/12/56/357831256.db2.gz NCJAFZFJWAIUAZ-LBPRGKRZSA-N 1 1 282.351 1.452 40 0 CDABMO COCC[N@@H+]1CC[C@H]1c1cc(N2CCOCC2)nc(C)n1 ZINC000072387441 357832209 /nfs/dbraw/zinc/83/22/09/357832209.db2.gz ATMFAQKTXAOTPT-AWEZNQCLSA-N 1 1 292.383 1.015 40 0 CDABMO COCC[N@H+]1CC[C@H]1c1cc(N2CCOCC2)nc(C)n1 ZINC000072387441 357832212 /nfs/dbraw/zinc/83/22/12/357832212.db2.gz ATMFAQKTXAOTPT-AWEZNQCLSA-N 1 1 292.383 1.015 40 0 CDABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397378 357832948 /nfs/dbraw/zinc/83/29/48/357832948.db2.gz BCHDRTJILNPJNE-OKILXGFUSA-N 1 1 290.411 1.791 40 0 CDABMO COCCO[C@@H]1C[C@H]2CN(Cc3ccccn3)CC[N@H+]2C1 ZINC000096183181 358713303 /nfs/dbraw/zinc/71/33/03/358713303.db2.gz WWROIWGKUFBFHM-JKSUJKDBSA-N 1 1 291.395 1.003 40 0 CDABMO Cc1cccc(N2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)[nH+]1 ZINC000096184492 358713952 /nfs/dbraw/zinc/71/39/52/358713952.db2.gz CGADQZBIBXVLIT-NEPJUHHUSA-N 1 1 281.381 1.003 40 0 CDABMO CCc1ccc(C[N@H+]2C[C@H](OC)[C@H]3COC[C@H]32)o1 ZINC000096184959 358714164 /nfs/dbraw/zinc/71/41/64/358714164.db2.gz LVHAVYWHLMNWBD-MJBXVCDLSA-N 1 1 251.326 1.688 40 0 CDABMO C[C@H]1CCCN1C(=O)c1[nH]nc2c1C[N@@H+](CC1CC1)CC2 ZINC000096187415 358714901 /nfs/dbraw/zinc/71/49/01/358714901.db2.gz KUYYWMWOXWKPEM-NSHDSACASA-N 1 1 288.395 1.802 40 0 CDABMO Cn1c(=O)ccc2c1CC[N@@H+](Cc1ccoc1)CC2 ZINC000096196633 358716305 /nfs/dbraw/zinc/71/63/05/358716305.db2.gz VKTSMQBIXITCKW-UHFFFAOYSA-N 1 1 258.321 1.579 40 0 CDABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(c1ncc(F)cn1)CC2 ZINC000096206928 358720025 /nfs/dbraw/zinc/72/00/25/358720025.db2.gz ZXUCPKUGVAUDEW-ZDUSSCGKSA-N 1 1 294.374 1.553 40 0 CDABMO CCC(=O)N1C[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@@H]2C1 ZINC000096246157 358725944 /nfs/dbraw/zinc/72/59/44/358725944.db2.gz DHSMBPFOBVLFKC-UONOGXRCSA-N 1 1 291.395 1.982 40 0 CDABMO Cc1ncnc2c1CC[N@@H+](Cc1ccncc1)CC2 ZINC000096254960 358727748 /nfs/dbraw/zinc/72/77/48/358727748.db2.gz SJEPCBJXDJZIMY-UHFFFAOYSA-N 1 1 254.337 1.781 40 0 CDABMO CCOc1ncnc2c1CC[N@H+]([C@H]1CCOC1)CC2 ZINC000096255625 358728869 /nfs/dbraw/zinc/72/88/69/358728869.db2.gz HYWBIHHQCXNICM-NSHDSACASA-N 1 1 263.341 1.065 40 0 CDABMO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC000096268740 358731028 /nfs/dbraw/zinc/73/10/28/358731028.db2.gz JNJRQUXPVHIVDQ-KRWDZBQOSA-N 1 1 288.391 1.900 40 0 CDABMO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC000096268740 358731030 /nfs/dbraw/zinc/73/10/30/358731030.db2.gz JNJRQUXPVHIVDQ-KRWDZBQOSA-N 1 1 288.391 1.900 40 0 CDABMO O[C@@H](C[C@H]1CCC[N@H+]1CCn1cncn1)c1ccccc1 ZINC000076106978 366980686 /nfs/dbraw/zinc/98/06/86/366980686.db2.gz WRPKONRKGMSSNK-CVEARBPZSA-N 1 1 286.379 1.866 40 0 CDABMO C[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 ZINC000306125054 374968625 /nfs/dbraw/zinc/96/86/25/374968625.db2.gz CFWOKLCLDPVUQZ-LSDHHAIUSA-N 1 1 282.347 1.394 40 0 CDABMO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](C1CCOCC1)C2 ZINC000096111769 375057581 /nfs/dbraw/zinc/05/75/81/375057581.db2.gz IEPUTEQHOCQNSJ-JSGCOSHPSA-N 1 1 288.347 1.639 40 0 biogenic,in-vitro CDABMO CN(C)c1cccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000027932863 375162374 /nfs/dbraw/zinc/16/23/74/375162374.db2.gz ZBMPDEROBVWRCX-OAHLLOKOSA-N 1 1 273.380 1.673 40 0 CDABMO CNc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)ccn1 ZINC000257203259 190011904 /nfs/dbraw/zinc/01/19/04/190011904.db2.gz APGHNIBMWXVRSH-AWEZNQCLSA-N 1 1 288.395 1.883 40 0 CDABMO CNc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)ccn1 ZINC000257203259 190011905 /nfs/dbraw/zinc/01/19/05/190011905.db2.gz APGHNIBMWXVRSH-AWEZNQCLSA-N 1 1 288.395 1.883 40 0 CDABMO Cc1cc(C[N@@H+]2CCC[C@@H](Cc3nccnc3N)C2)no1 ZINC000257238967 190017472 /nfs/dbraw/zinc/01/74/72/190017472.db2.gz HNHPOLFNQUZUKD-LBPRGKRZSA-N 1 1 287.367 1.810 40 0 CDABMO Cc1cc(C[N@H+]2CCC[C@@H](Cc3nccnc3N)C2)no1 ZINC000257238967 190017473 /nfs/dbraw/zinc/01/74/73/190017473.db2.gz HNHPOLFNQUZUKD-LBPRGKRZSA-N 1 1 287.367 1.810 40 0 CDABMO COc1cc(C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)ccc1F ZINC000257246673 190019147 /nfs/dbraw/zinc/01/91/47/190019147.db2.gz IVFMYMTVVDHKNF-HOTGVXAUSA-N 1 1 295.354 1.950 40 0 CDABMO COc1cc(C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)ccc1F ZINC000257246673 190019148 /nfs/dbraw/zinc/01/91/48/190019148.db2.gz IVFMYMTVVDHKNF-HOTGVXAUSA-N 1 1 295.354 1.950 40 0 CDABMO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000257244159 190019173 /nfs/dbraw/zinc/01/91/73/190019173.db2.gz IKDRWRMUHCNPSL-ZDUSSCGKSA-N 1 1 273.384 1.906 40 0 CDABMO CNC(=O)C[N@H+]1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257273879 190024672 /nfs/dbraw/zinc/02/46/72/190024672.db2.gz NIOSZRZJFKYLQH-CYBMUJFWSA-N 1 1 283.375 1.845 40 0 CDABMO C[N@H+](Cc1cc[nH]n1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257294224 190028199 /nfs/dbraw/zinc/02/81/99/190028199.db2.gz QTCSBMVFXDIQCW-PMPSAXMXSA-N 1 1 287.363 1.812 40 0 CDABMO C[N@@H+](Cc1cc[nH]n1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257294224 190028200 /nfs/dbraw/zinc/02/82/00/190028200.db2.gz QTCSBMVFXDIQCW-PMPSAXMXSA-N 1 1 287.363 1.812 40 0 CDABMO COC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[N@@H+](C)C1 ZINC000257294767 190028352 /nfs/dbraw/zinc/02/83/52/190028352.db2.gz QVQCSINPPKBWGX-LBPRGKRZSA-N 1 1 280.343 1.476 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257326518 190034760 /nfs/dbraw/zinc/03/47/60/190034760.db2.gz WXLZSFLFSVFSLF-ZDUSSCGKSA-N 1 1 287.367 1.396 40 0 CDABMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2cn(C)nn2)C1 ZINC000328649758 375908090 /nfs/dbraw/zinc/90/80/90/375908090.db2.gz IVMCBCZUTZHDTD-CYBMUJFWSA-N 1 1 274.372 1.411 40 0 CDABMO CC[N@H+]1CCC[C@](O)(CN2CCc3sccc3C2)C1 ZINC000041124083 379336383 /nfs/dbraw/zinc/33/63/83/379336383.db2.gz LKGPJZSPNNIOQE-OAHLLOKOSA-N 1 1 280.437 1.953 40 0 CDABMO COCC[N@H+]1CC[C@H]2CN(C(=O)CC(C)C)C[C@H]2C1 ZINC000096081403 285060643 /nfs/dbraw/zinc/06/06/43/285060643.db2.gz OPOXMVYFOCHHCR-UONOGXRCSA-N 1 1 268.401 1.459 40 0 CDABMO O[C@@H](COC[C@H]1C[C@@H]2CC[C@H]1C2)C[NH+]1CCOCC1 ZINC000035354147 285307093 /nfs/dbraw/zinc/30/70/93/285307093.db2.gz YQHLULJNYGIRMM-LXTVHRRPSA-N 1 1 269.385 1.132 40 0 CDABMO O=C1C[C@@]2(CC[N@H+](CCO)C2)CN1c1cccc(F)c1 ZINC000096239428 256829750 /nfs/dbraw/zinc/82/97/50/256829750.db2.gz SWNBLDFMJTWMGU-OAHLLOKOSA-N 1 1 278.327 1.247 40 0 CDABMO O=C(c1ccco1)N1C[C@@H]2C[C@]2([NH2+]Cc2nccs2)C1 ZINC000096248956 256834855 /nfs/dbraw/zinc/83/48/55/256834855.db2.gz PXZBTPLSFDPCAE-HZMBPMFUSA-N 1 1 289.360 1.740 40 0 CDABMO C[N@H+](CC(=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393352 390421704 /nfs/dbraw/zinc/42/17/04/390421704.db2.gz KLKISZADWOFJCZ-AWEZNQCLSA-N 1 1 262.353 1.525 40 0 CDABMO C[NH+](CC(=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393352 390421707 /nfs/dbraw/zinc/42/17/07/390421707.db2.gz KLKISZADWOFJCZ-AWEZNQCLSA-N 1 1 262.353 1.525 40 0 CDABMO C[NH+](CC(=O)[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393352 390421709 /nfs/dbraw/zinc/42/17/09/390421709.db2.gz KLKISZADWOFJCZ-AWEZNQCLSA-N 1 1 262.353 1.525 40 0 CDABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 ZINC000072227553 390625752 /nfs/dbraw/zinc/62/57/52/390625752.db2.gz LIWOJILYQSYCQK-CABCVRRESA-N 1 1 282.299 1.831 40 0 CDABMO COc1c2c(cc3c1C[N@@H+](C(C)C)C[C@@H]3O)OCO2 ZINC000095611596 390911295 /nfs/dbraw/zinc/91/12/95/390911295.db2.gz KETJNJHLSQRJLW-NSHDSACASA-N 1 1 265.309 1.681 40 0 CDABMO COc1c2c(cc3c1C[N@H+](C(C)C)C[C@@H]3O)OCO2 ZINC000095611596 390911296 /nfs/dbraw/zinc/91/12/96/390911296.db2.gz KETJNJHLSQRJLW-NSHDSACASA-N 1 1 265.309 1.681 40 0 CDABMO CCn1cc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)cn1 ZINC000020349895 171155446 /nfs/dbraw/zinc/15/54/46/171155446.db2.gz SNLYUWYTKPXTOM-UHFFFAOYSA-N 1 1 287.289 1.945 40 0 CDABMO CCN(CC)CC[NH2+][C@H](C)C(=O)N1CCc2ccccc21 ZINC000022586271 171393202 /nfs/dbraw/zinc/39/32/02/171393202.db2.gz GENAEMYXVFBVFV-CQSZACIVSA-N 1 1 289.423 1.896 40 0 CDABMO COC(=O)[C@@H]([NH3+])Cc1ccc(Oc2cccnc2)cc1 ZINC000035630203 172311640 /nfs/dbraw/zinc/31/16/40/172311640.db2.gz KCDFQZJZENUBND-AWEZNQCLSA-N 1 1 272.304 1.917 40 0 CDABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072355934 176375432 /nfs/dbraw/zinc/37/54/32/176375432.db2.gz AVNBHEZQGHTFQM-ZDUSSCGKSA-N 1 1 271.368 1.898 40 0 CDABMO Cc1nccc([C@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072355934 176375433 /nfs/dbraw/zinc/37/54/33/176375433.db2.gz AVNBHEZQGHTFQM-ZDUSSCGKSA-N 1 1 271.368 1.898 40 0 CDABMO C[N@H+]1CCC[C@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377391 176385641 /nfs/dbraw/zinc/38/56/41/176385641.db2.gz BJXLFBSGAAWKEA-LBPRGKRZSA-N 1 1 256.313 1.777 40 0 CDABMO C[N@H+]1CCC[C@@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1 ZINC000072382863 176387903 /nfs/dbraw/zinc/38/79/03/176387903.db2.gz XYHFLLYGORLYLT-ZDUSSCGKSA-N 1 1 288.395 1.597 40 0 CDABMO C[C@H](C(N)=O)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000078611036 177360034 /nfs/dbraw/zinc/36/00/34/177360034.db2.gz HQSMPCGVNBBRDV-SECBINFHSA-N 1 1 285.185 1.797 40 0 CDABMO C[N@@H+]1CCO[C@@](C)(C(=O)N2CCC3(C2)CCCCC3)C1 ZINC000072378283 277125713 /nfs/dbraw/zinc/12/57/13/277125713.db2.gz DTPBAPXFZIQCPH-OAHLLOKOSA-N 1 1 280.412 1.890 40 0 CDABMO C[N@H+]1CCO[C@@](C)(C(=O)N2CCC3(C2)CCCCC3)C1 ZINC000072378283 277125714 /nfs/dbraw/zinc/12/57/14/277125714.db2.gz DTPBAPXFZIQCPH-OAHLLOKOSA-N 1 1 280.412 1.890 40 0 CDABMO CCOc1ccc([C@@H]([NH3+])c2ncn(C)n2)cc1OC ZINC000095534349 185005828 /nfs/dbraw/zinc/00/58/28/185005828.db2.gz MPEKBLRPZMGGGZ-GFCCVEGCSA-N 1 1 262.313 1.271 40 0 CDABMO [NH3+][C@@H](c1nc(Cn2cccn2)n[nH]1)c1ccccc1 ZINC000095533429 185006754 /nfs/dbraw/zinc/00/67/54/185006754.db2.gz BKYFGSXQPHXWQX-GFCCVEGCSA-N 1 1 254.297 1.098 40 0 CDABMO CCOc1ccc([C@H]([NH3+])c2ncn(C)n2)cc1OCC ZINC000095534634 185006854 /nfs/dbraw/zinc/00/68/54/185006854.db2.gz BTHBUHGCSXSDQC-ZDUSSCGKSA-N 1 1 276.340 1.661 40 0 CDABMO CCN1CCC2(CC[NH+](Cc3nccs3)CC2)C1=O ZINC000096046738 185072010 /nfs/dbraw/zinc/07/20/10/185072010.db2.gz HNEFLILGXKEZEA-UHFFFAOYSA-N 1 1 279.409 1.978 40 0 CDABMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccsc1 ZINC000096056463 185077167 /nfs/dbraw/zinc/07/71/67/185077167.db2.gz URUVNTWGDQTZMM-VXGBXAGGSA-N 1 1 250.367 1.943 40 0 CDABMO COCCN1CC[N@@H+](CC2CC2)Cc2cccnc21 ZINC000096060939 185083373 /nfs/dbraw/zinc/08/33/73/185083373.db2.gz XXTLQNQNWFVVJF-UHFFFAOYSA-N 1 1 261.369 1.760 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@@H]3O[C@@H](c4ccncn4)C[C@H]3C2)cn1 ZINC000096070570 185086826 /nfs/dbraw/zinc/08/68/26/185086826.db2.gz YPWAOSOFXBIBKF-CWRNSKLLSA-N 1 1 299.378 1.562 40 0 CDABMO CCN1C(=O)C[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(C)n1 ZINC000096081182 185090939 /nfs/dbraw/zinc/09/09/39/185090939.db2.gz MXOBEFGLJUQCRZ-UONOGXRCSA-N 1 1 259.353 1.585 40 0 CDABMO c1ccc(CN2CCc3c(C[NH+]4CCCC4)n[nH]c3C2)nc1 ZINC000096084109 185092490 /nfs/dbraw/zinc/09/24/90/185092490.db2.gz NNHFNAVLOVUWDR-UHFFFAOYSA-N 1 1 297.406 1.959 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1)CC[C@H]2OC ZINC000096110972 185100727 /nfs/dbraw/zinc/10/07/27/185100727.db2.gz RMTHSGVXJAFBHS-ARFHVFGLSA-N 1 1 288.391 1.868 40 0 CDABMO Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)n1 ZINC000585292805 342258999 /nfs/dbraw/zinc/25/89/99/342258999.db2.gz OIHQAAVLXHTQEX-KZNAEPCWSA-N 1 1 298.386 1.711 40 0 CDABMO CN(C)C(=O)CO[C@H]1Cn2cccc2C[N@H+](C2CCC2)C1 ZINC000248053606 362147325 /nfs/dbraw/zinc/14/73/25/362147325.db2.gz XXUGOLJHBWCPDV-HNNXBMFYSA-N 1 1 291.395 1.330 40 0 CDABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C)[C@H]2C1 ZINC000107260292 186164841 /nfs/dbraw/zinc/16/48/41/186164841.db2.gz DVLZWPLMKDAPIO-HOTGVXAUSA-N 1 1 258.365 1.881 40 0 CDABMO CSCC[C@H]([NH3+])C(=O)N1CCN(C2CCCCC2)CC1 ZINC000157566670 188325364 /nfs/dbraw/zinc/32/53/64/188325364.db2.gz CGPJNKRPAIQEAO-AWEZNQCLSA-N 1 1 299.484 1.544 40 0 CDABMO O=S1(=O)C[C@@H](N2CCCCC2)[C@H]1C[NH+]1CCCCC1 ZINC000001721957 355949490 /nfs/dbraw/zinc/94/94/90/355949490.db2.gz UMXQSISCAZISLA-ZIAGYGMSSA-N 1 1 286.441 1.124 40 0 CDABMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)NC1CCCCC1 ZINC000010153574 356252157 /nfs/dbraw/zinc/25/21/57/356252157.db2.gz RNELIEXFFBGTBO-MJBXVCDLSA-N 1 1 293.411 1.225 40 0 CDABMO C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2Cn2cccn2)C1 ZINC000019588530 356492660 /nfs/dbraw/zinc/49/26/60/356492660.db2.gz DTGKKUWJBIJIJO-OAHLLOKOSA-N 1 1 298.390 1.755 40 0 CDABMO CN(C(=O)OCc1ccccc1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079410955 356993743 /nfs/dbraw/zinc/99/37/43/356993743.db2.gz DOHVETKXYNZRRL-OAHLLOKOSA-N 1 1 292.379 1.712 40 0 CDABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nccc(N)n1 ZINC000135070381 357431876 /nfs/dbraw/zinc/43/18/76/357431876.db2.gz NTLLYAGFNHDQJX-CQSZACIVSA-N 1 1 297.406 1.765 40 0 CDABMO Cc1nc(CCC(N)=O)cc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366557 357831277 /nfs/dbraw/zinc/83/12/77/357831277.db2.gz IEDDUQVLUGAFLT-AWEZNQCLSA-N 1 1 276.384 1.748 40 0 CDABMO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000096056505 358707422 /nfs/dbraw/zinc/70/74/22/358707422.db2.gz XISIPXXDVQCAFL-CHWSQXEVSA-N 1 1 252.358 1.108 40 0 CDABMO Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC2CC2)cn1 ZINC000096186514 358714419 /nfs/dbraw/zinc/71/44/19/358714419.db2.gz XKENXDTVVZHRMX-ZIAGYGMSSA-N 1 1 274.368 1.400 40 0 CDABMO COCC[N@H+]1CCC[C@@]12CCCN(Cc1cnn(C)c1)C2 ZINC000096203221 358719141 /nfs/dbraw/zinc/71/91/41/358719141.db2.gz JXAWNKQTRAIZNV-MRXNPFEDSA-N 1 1 292.427 1.497 40 0 CDABMO OCC[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096239817 358724673 /nfs/dbraw/zinc/72/46/73/358724673.db2.gz RWGQXEWBUALLBJ-CYBMUJFWSA-N 1 1 298.337 1.006 40 0 CDABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(CCO)C[C@H]12 ZINC000096251836 358727681 /nfs/dbraw/zinc/72/76/81/358727681.db2.gz KTKVBRBKVDEJEQ-HOTGVXAUSA-N 1 1 260.381 1.327 40 0 CDABMO CN1CC[C@@]2(c3ccccc3)CC[N@H+](CCO)C[C@H]12 ZINC000096251836 358727683 /nfs/dbraw/zinc/72/76/83/358727683.db2.gz KTKVBRBKVDEJEQ-HOTGVXAUSA-N 1 1 260.381 1.327 40 0 CDABMO CN1CC[C@@]2(c3ccccc3)CC[N@@H+](CCO)C[C@H]12 ZINC000096251836 358727687 /nfs/dbraw/zinc/72/76/87/358727687.db2.gz KTKVBRBKVDEJEQ-HOTGVXAUSA-N 1 1 260.381 1.327 40 0 CDABMO CC(C)CC[N@H+]1C[C@H]2C[C@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000096252906 358728020 /nfs/dbraw/zinc/72/80/20/358728020.db2.gz WWOUFUXPKOXBOC-HZSPNIEDSA-N 1 1 268.401 1.646 40 0 CDABMO CC(C)C[NH+]1CCC(N2CCC(C(=O)N(C)C)CC2)CC1 ZINC000096260818 358729464 /nfs/dbraw/zinc/72/94/64/358729464.db2.gz FKEUGMLSKYTUCJ-UHFFFAOYSA-N 1 1 295.471 1.907 40 0 CDABMO CC(=O)Nc1nc(C(=O)N2CC[N@@H+](C)CC2(C)C)cs1 ZINC000346919822 359101511 /nfs/dbraw/zinc/10/15/11/359101511.db2.gz WKBCEIBZHLGGRK-UHFFFAOYSA-N 1 1 296.396 1.268 40 0 CDABMO CC(=O)Nc1nc(C(=O)N2CC[N@H+](C)CC2(C)C)cs1 ZINC000346919822 359101516 /nfs/dbraw/zinc/10/15/16/359101516.db2.gz WKBCEIBZHLGGRK-UHFFFAOYSA-N 1 1 296.396 1.268 40 0 CDABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](C)CC[C@@]1(C)O ZINC000514289979 360120418 /nfs/dbraw/zinc/12/04/18/360120418.db2.gz RZUBOAVGRPKRHF-MELADBBJSA-N 1 1 298.408 1.007 40 0 biogenic,in-vitro CDABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](C)CC[C@@]1(C)O ZINC000514289979 360120422 /nfs/dbraw/zinc/12/04/22/360120422.db2.gz RZUBOAVGRPKRHF-MELADBBJSA-N 1 1 298.408 1.007 40 0 biogenic,in-vitro CDABMO CC[C@@H]1C[N@H+](CC(=O)NCc2ccco2)CCS1 ZINC000076072287 366967641 /nfs/dbraw/zinc/96/76/41/366967641.db2.gz XJKXBNRNAMRXIS-GFCCVEGCSA-N 1 1 268.382 1.723 40 0 CDABMO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)CCS1 ZINC000076072287 366967647 /nfs/dbraw/zinc/96/76/47/366967647.db2.gz XJKXBNRNAMRXIS-GFCCVEGCSA-N 1 1 268.382 1.723 40 0 CDABMO Cn1cncc1C[N@H+]1CCOC[C@@H](Cc2cccnc2)C1 ZINC000257223194 190015035 /nfs/dbraw/zinc/01/50/35/190015035.db2.gz DWHWNPIVEMAUER-HNNXBMFYSA-N 1 1 286.379 1.506 40 0 CDABMO O[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1Oc1ccccc1 ZINC000257260111 190022160 /nfs/dbraw/zinc/02/21/60/190022160.db2.gz LBIPNAZPDZDQEA-HZPDHXFCSA-N 1 1 288.322 1.845 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1Oc1ccccc1 ZINC000257260111 190022161 /nfs/dbraw/zinc/02/21/61/190022161.db2.gz LBIPNAZPDZDQEA-HZPDHXFCSA-N 1 1 288.322 1.845 40 0 CDABMO Cn1nccc1-c1cc(C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC000257287344 190027084 /nfs/dbraw/zinc/02/70/84/190027084.db2.gz PPNILNOXVBNLQA-CYBMUJFWSA-N 1 1 256.353 1.976 40 0 CDABMO Cc1nccc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@@H+]3C)n1 ZINC000257289925 190027404 /nfs/dbraw/zinc/02/74/04/190027404.db2.gz QAVAOWCKSUVKQL-HOCLYGCPSA-N 1 1 288.395 1.874 40 0 CDABMO CNC(=O)[C@@H]1CN(Cc2cc(F)ccc2F)CC[N@@H+](C)C1 ZINC000257310410 190031777 /nfs/dbraw/zinc/03/17/77/190031777.db2.gz UEZAGOAQHMZUOM-LBPRGKRZSA-N 1 1 297.349 1.074 40 0 CDABMO Cc1c(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cnn1C ZINC000257303511 190030089 /nfs/dbraw/zinc/03/00/89/190030089.db2.gz SHNQBVYPOCMMRT-HZPDHXFCSA-N 1 1 287.363 1.353 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2cncn2C)C[C@@]12CCCO2 ZINC000257309505 190030870 /nfs/dbraw/zinc/03/08/70/190030870.db2.gz UBESYBXYKDJMRC-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO c1cc([C@H]2CC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)n[nH]1 ZINC000257315965 190032506 /nfs/dbraw/zinc/03/25/06/190032506.db2.gz VDNPYRGUHNHIBX-ZDUSSCGKSA-N 1 1 298.394 1.789 40 0 CDABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000000000056 377935871 /nfs/dbraw/zinc/93/58/71/377935871.db2.gz RKUNBYITZUJHSG-VFSICIBPSA-N 1 1 289.375 1.931 40 0 biogenic,in-vitro CDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000306123098 392105306 /nfs/dbraw/zinc/10/53/06/392105306.db2.gz AEIMMDQKHJRTPC-MJBXVCDLSA-N 1 1 280.412 1.602 40 0 CDABMO Cc1cccc(N2CCC[C@@]3(CCN(C)C3=O)C2)[nH+]1 ZINC000096073921 398069475 /nfs/dbraw/zinc/06/94/75/398069475.db2.gz IFNMZBQVQFIWCZ-OAHLLOKOSA-N 1 1 259.353 1.839 40 0 CDABMO CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CCC[C@H]12)C(C)C ZINC000008618659 170343246 /nfs/dbraw/zinc/34/32/46/170343246.db2.gz AORFDVNAPHMKAU-XNRPHZJLSA-N 1 1 297.395 1.356 40 0 CDABMO C[NH+]1CCN(CC(=O)N[C@]2(C)[C@H]3CC[C@H](C3)C2(C)C)CC1 ZINC000022587099 171393437 /nfs/dbraw/zinc/39/34/37/171393437.db2.gz XPFLSDZPNQYQTE-JKIFEVAISA-N 1 1 293.455 1.565 40 0 CDABMO Cn1ccnc1CNc1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365425 176380535 /nfs/dbraw/zinc/38/05/35/176380535.db2.gz YILAZSLNWVJNGD-GFCCVEGCSA-N 1 1 286.383 1.631 40 0 CDABMO CCO[C@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000076402196 177017902 /nfs/dbraw/zinc/01/79/02/177017902.db2.gz FAWLERHHMLOCOY-AWEZNQCLSA-N 1 1 277.368 1.199 40 0 CDABMO CCO[C@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000076402196 177017903 /nfs/dbraw/zinc/01/79/03/177017903.db2.gz FAWLERHHMLOCOY-AWEZNQCLSA-N 1 1 277.368 1.199 40 0 CDABMO C[N@H+]1CCC[C@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087384 423939185 /nfs/dbraw/zinc/93/91/85/423939185.db2.gz LNEZLZQNIHGLNV-GOSISDBHSA-N 1 1 299.418 1.983 40 0 CDABMO O=c1[nH]c(N2CC[N@H+]3CCC[C@H]3C2)nc2ccccc21 ZINC000242701554 275062131 /nfs/dbraw/zinc/06/21/31/275062131.db2.gz WIGUXPUMEWFJAL-NSHDSACASA-N 1 1 270.336 1.620 40 0 CDABMO CC(C)OC(=O)[C@]1(C)CC(c2cnc(N(C)C)nc2)=[NH+]O1 ZINC000226083785 1161388596 /nfs/dbraw/zinc/38/85/96/1161388596.db2.gz HSLJHQSNXKQMHR-AWEZNQCLSA-N 1 1 292.339 1.377 40 0 CDABMO c1ccc(CO[C@@H]2C[C@@H]3C[N@@H+](CC4CC4)CCN3C2)nc1 ZINC000096055124 185075869 /nfs/dbraw/zinc/07/58/69/185075869.db2.gz XFZIQEZBAUMNGZ-IAGOWNOFSA-N 1 1 287.407 1.767 40 0 CDABMO c1ccc(CO[C@@H]2C[C@@H]3CN(CC4CC4)CC[N@@H+]3C2)nc1 ZINC000096055124 185075871 /nfs/dbraw/zinc/07/58/71/185075871.db2.gz XFZIQEZBAUMNGZ-IAGOWNOFSA-N 1 1 287.407 1.767 40 0 CDABMO c1ccc(CO[C@@H]2C[C@@H]3CN(CC4CC4)CC[N@H+]3C2)nc1 ZINC000096055124 185075872 /nfs/dbraw/zinc/07/58/72/185075872.db2.gz XFZIQEZBAUMNGZ-IAGOWNOFSA-N 1 1 287.407 1.767 40 0 CDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N1CCCC1 ZINC000096057218 185078049 /nfs/dbraw/zinc/07/80/49/185078049.db2.gz WOVGFTLMRMRVLR-OAGGEKHMSA-N 1 1 292.423 1.603 40 0 CDABMO Cc1cccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cnn(C)c2)n1 ZINC000096063975 185084299 /nfs/dbraw/zinc/08/42/99/185084299.db2.gz SAYGZLGRSMOSSE-HOTGVXAUSA-N 1 1 297.406 1.977 40 0 CDABMO CCOCC(=O)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccn1 ZINC000096064026 185084502 /nfs/dbraw/zinc/08/45/02/185084502.db2.gz VXLFBMKHSFVVRJ-CABCVRRESA-N 1 1 289.379 1.293 40 0 CDABMO COCC[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096072448 185088420 /nfs/dbraw/zinc/08/84/20/185088420.db2.gz QFUGTLDKZSMHCV-GJZGRUSLSA-N 1 1 278.352 1.340 40 0 CDABMO COc1cccc(CN2C[C@@H]3C[N@@H+](C)CCO[C@@H]3C2)c1 ZINC000096107935 185099964 /nfs/dbraw/zinc/09/99/64/185099964.db2.gz JCXRBHOFZVLSQL-GOEBONIOSA-N 1 1 276.380 1.458 40 0 CDABMO COc1cccc(C[N@@H+]2C[C@@H]3CN(C)CCO[C@@H]3C2)c1 ZINC000096107935 185099965 /nfs/dbraw/zinc/09/99/65/185099965.db2.gz JCXRBHOFZVLSQL-GOEBONIOSA-N 1 1 276.380 1.458 40 0 CDABMO COc1cccc(C[N@H+]2C[C@@H]3CN(C)CCO[C@@H]3C2)c1 ZINC000096107935 185099967 /nfs/dbraw/zinc/09/99/67/185099967.db2.gz JCXRBHOFZVLSQL-GOEBONIOSA-N 1 1 276.380 1.458 40 0 CDABMO Cn1cnc2c1C[C@@H](CO)[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000585094554 342211259 /nfs/dbraw/zinc/21/12/59/342211259.db2.gz AXMCYGWFLIERTA-ZDUSSCGKSA-N 1 1 296.374 1.821 40 0 CDABMO Cn1cnc2c1C[C@@H](CO)[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC000585094554 342211260 /nfs/dbraw/zinc/21/12/60/342211260.db2.gz AXMCYGWFLIERTA-ZDUSSCGKSA-N 1 1 296.374 1.821 40 0 CDABMO c1cc2n(n1)CC[C@H](COc1cnccn1)[N@H+](CC1CC1)C2 ZINC000585098167 342211642 /nfs/dbraw/zinc/21/16/42/342211642.db2.gz VLJOFWMKEWSZPS-OAHLLOKOSA-N 1 1 299.378 1.736 40 0 CDABMO Cc1nc(C[N@@H+]2CCC[C@]3(CN(C)C3=O)C2)cs1 ZINC000585099665 342212282 /nfs/dbraw/zinc/21/22/82/342212282.db2.gz VROYJZKWNDHFTO-ZDUSSCGKSA-N 1 1 265.382 1.506 40 0 CDABMO Cc1ccccc1OC[C@@]1(O)COCC[N@H+](C)C1 ZINC000585275701 342256033 /nfs/dbraw/zinc/25/60/33/342256033.db2.gz IGFWTEXDSSBVMT-AWEZNQCLSA-N 1 1 251.326 1.067 40 0 CDABMO CCc1nc(C)c(C[N@H+](C)[C@@H]2COC[C@@H](OC)[C@H]2OC)[nH]1 ZINC000585291330 342258907 /nfs/dbraw/zinc/25/89/07/342258907.db2.gz PBPKWFXSKOGNAO-NFAWXSAZSA-N 1 1 297.399 1.141 40 0 CDABMO CCc1nc(C)c(C[N@@H+](C)[C@@H]2COC[C@@H](OC)[C@H]2OC)[nH]1 ZINC000585291330 342258908 /nfs/dbraw/zinc/25/89/08/342258908.db2.gz PBPKWFXSKOGNAO-NFAWXSAZSA-N 1 1 297.399 1.141 40 0 CDABMO c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3CC2CC2)nc1 ZINC000253591102 362439774 /nfs/dbraw/zinc/43/97/74/362439774.db2.gz JMZBQEXKEWXMMM-ZNMIVQPWSA-N 1 1 289.379 1.745 40 0 CDABMO C[N@H+]1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000257250796 362580547 /nfs/dbraw/zinc/58/05/47/362580547.db2.gz JOAQLSGPYBQTJS-MRVPVSSYSA-N 1 1 285.273 1.952 40 0 CDABMO Cc1ccc(CC23CN4CC(C[N@@H+](C2)CC4)C3=O)c(C)c1 ZINC000085822020 179183936 /nfs/dbraw/zinc/18/39/36/179183936.db2.gz VINLQVKHIQKNQW-UHFFFAOYSA-N 1 1 284.403 1.662 40 0 CDABMO Cc1ncc(CN2CCC3(CC([NH+](C)C)C3)C2)cn1 ZINC000108527075 186221032 /nfs/dbraw/zinc/22/10/32/186221032.db2.gz HIYTUINIRGIVCB-UHFFFAOYSA-N 1 1 260.385 1.701 40 0 CDABMO COC(=O)CC[N@H+]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC000154738817 351329958 /nfs/dbraw/zinc/32/99/58/351329958.db2.gz FHVXABKJNCBASF-ZDUSSCGKSA-N 1 1 291.395 1.459 40 0 CDABMO COC(=O)CCN1CC[N@H+](Cc2cccnc2C)[C@@H](C)C1 ZINC000154738817 351329966 /nfs/dbraw/zinc/32/99/66/351329966.db2.gz FHVXABKJNCBASF-ZDUSSCGKSA-N 1 1 291.395 1.459 40 0 CDABMO COC(=O)CCN1CC[N@@H+](Cc2cccnc2C)[C@@H](C)C1 ZINC000154738817 351329970 /nfs/dbraw/zinc/32/99/70/351329970.db2.gz FHVXABKJNCBASF-ZDUSSCGKSA-N 1 1 291.395 1.459 40 0 CDABMO COCCN1CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000155465094 351378172 /nfs/dbraw/zinc/37/81/72/351378172.db2.gz POLKLJVGISNMDE-CQSZACIVSA-N 1 1 298.427 1.230 40 0 CDABMO O=C([O-])CCC[C@H]1[NH2+]C[C@H]2CCC[N@@H+]3CCC[C@@H]1[C@@H]23 ZINC000003881320 304051591 /nfs/dbraw/zinc/05/15/91/304051591.db2.gz AZXHMEMRJYOODA-QVHKTLOISA-N 1 1 266.385 1.704 40 0 CDABMO O=C([O-])CCC[C@H]1[NH2+]C[C@H]2CCC[N@H+]3CCC[C@@H]1[C@@H]23 ZINC000003881320 304051593 /nfs/dbraw/zinc/05/15/93/304051593.db2.gz AZXHMEMRJYOODA-QVHKTLOISA-N 1 1 266.385 1.704 40 0 CDABMO CN(C[C@@H]1CCC[N@@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407912 356991144 /nfs/dbraw/zinc/99/11/44/356991144.db2.gz FJCKMBBHVDETNU-LBPRGKRZSA-N 1 1 272.389 1.558 40 0 CDABMO CN(C)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000062107132 357468656 /nfs/dbraw/zinc/46/86/56/357468656.db2.gz SQEZZZFIFPDTFU-UHFFFAOYSA-N 1 1 290.367 1.168 40 0 CDABMO Cn1ccnc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096161540 358711200 /nfs/dbraw/zinc/71/12/00/358711200.db2.gz FCFBQYUZNPOGSB-CALCHBBNSA-N 1 1 296.418 1.984 40 0 CDABMO c1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)co1 ZINC000096184800 358714260 /nfs/dbraw/zinc/71/42/60/358714260.db2.gz LJOYYFIOZPKVRB-KGLIPLIRSA-N 1 1 270.336 1.923 40 0 CDABMO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C(C)C)o1 ZINC000096248680 358726682 /nfs/dbraw/zinc/72/66/82/358726682.db2.gz PBFVMAWXUBKRCL-CABCVRRESA-N 1 1 264.369 1.881 40 0 CDABMO CCC[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(F)ccc1C(=O)N2C ZINC000514288654 360123580 /nfs/dbraw/zinc/12/35/80/360123580.db2.gz NMYYAFCTWVYTQQ-OCCSQVGLSA-N 1 1 278.327 1.753 40 0 biogenic,in-vitro CDABMO CN1C(=O)c2cccnc2O[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC000514290184 360126023 /nfs/dbraw/zinc/12/60/23/360126023.db2.gz URXDVXVCODBKTQ-KGLIPLIRSA-N 1 1 287.363 1.541 40 0 biogenic,in-vitro CDABMO CS[C@H]1CCC[C@@H]1[N@@H+](C)CC(=O)NCc1cccnc1 ZINC000076146344 367003275 /nfs/dbraw/zinc/00/32/75/367003275.db2.gz DWXKTPNKHXATGG-KBPBESRZSA-N 1 1 293.436 1.914 40 0 CDABMO CCN(CC)CC[NH2+]Cc1ccnn1CC(C)C ZINC000256051564 190003753 /nfs/dbraw/zinc/00/37/53/190003753.db2.gz JQZAVPSMYTUKIS-UHFFFAOYSA-N 1 1 252.406 1.971 40 0 CDABMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(c2cnccn2)CC1 ZINC000257209504 190012676 /nfs/dbraw/zinc/01/26/76/190012676.db2.gz BQRHDKJGQHDANL-CQSZACIVSA-N 1 1 274.368 1.277 40 0 CDABMO Cc1nc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cs1 ZINC000257213726 190012830 /nfs/dbraw/zinc/01/28/30/190012830.db2.gz CIVJEMOVHPQWNV-STQMWFEESA-N 1 1 268.382 1.567 40 0 CDABMO Cc1nc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cs1 ZINC000257213726 190012831 /nfs/dbraw/zinc/01/28/31/190012831.db2.gz CIVJEMOVHPQWNV-STQMWFEESA-N 1 1 268.382 1.567 40 0 CDABMO O[C@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@@]12CCCO2 ZINC000257231149 190016055 /nfs/dbraw/zinc/01/60/55/190016055.db2.gz GFMVZOMUXCNDIV-KBPBESRZSA-N 1 1 266.316 1.337 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@@]12CCCO2 ZINC000257231149 190016056 /nfs/dbraw/zinc/01/60/56/190016056.db2.gz GFMVZOMUXCNDIV-KBPBESRZSA-N 1 1 266.316 1.337 40 0 CDABMO CC(C)[N@H+]1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@H]2C1 ZINC000257235301 190017042 /nfs/dbraw/zinc/01/70/42/190017042.db2.gz GXFZIPWPBVOUHM-GJZGRUSLSA-N 1 1 292.354 1.646 40 0 CDABMO Cc1c[nH]nc1[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000257238623 190018172 /nfs/dbraw/zinc/01/81/72/190018172.db2.gz HLVPVYOHWJOYMK-GFCCVEGCSA-N 1 1 273.340 1.239 40 0 CDABMO CNC(=O)c1cc(C[C@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000257247379 190019659 /nfs/dbraw/zinc/01/96/59/190019659.db2.gz IYTRDNOHYJSUFS-LLVKDONJSA-N 1 1 262.357 1.029 40 0 CDABMO Cc1n[nH]cc1C[N@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257249314 190020098 /nfs/dbraw/zinc/02/00/98/190020098.db2.gz JHQJAUJHKQMOIP-UHFFFAOYSA-N 1 1 298.394 1.975 40 0 CDABMO Cn1cc(CN2CCC[C@H]3[N@@H+](C)CCC[C@@]32C)cn1 ZINC000257271285 190024161 /nfs/dbraw/zinc/02/41/61/190024161.db2.gz MXRMKTSLVLKDNT-CABCVRRESA-N 1 1 262.401 1.869 40 0 CDABMO COCC[N@H+]1CCC[C@@H]1c1nccnc1-c1cc[nH]n1 ZINC000257305774 190030959 /nfs/dbraw/zinc/03/09/59/190030959.db2.gz SRLZAKDICDGENJ-GFCCVEGCSA-N 1 1 273.340 1.650 40 0 CDABMO c1cc([C@@H]2CC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)n[nH]1 ZINC000257315964 190033021 /nfs/dbraw/zinc/03/30/21/190033021.db2.gz VDNPYRGUHNHIBX-CYBMUJFWSA-N 1 1 298.394 1.789 40 0 CDABMO COc1ccc([C@H]2CN(Cc3c[nH]cn3)CC[N@@H+]2C)cc1 ZINC000257319040 190033308 /nfs/dbraw/zinc/03/33/08/190033308.db2.gz VQKQIPKSCGGDQU-MRXNPFEDSA-N 1 1 286.379 1.907 40 0 CDABMO COc1ccc([C@H]2CN(Cc3c[nH]cn3)CC[N@H+]2C)cc1 ZINC000257319040 190033309 /nfs/dbraw/zinc/03/33/09/190033309.db2.gz VQKQIPKSCGGDQU-MRXNPFEDSA-N 1 1 286.379 1.907 40 0 CDABMO Cn1nccc1CN1CCC[C@@]2(C)[C@H]1CCC[N@H+]2C ZINC000257327254 190034767 /nfs/dbraw/zinc/03/47/67/190034767.db2.gz XARHLMNETOXJKM-CABCVRRESA-N 1 1 262.401 1.869 40 0 CDABMO CC(=O)N1CCN(c2cc(C)c([C@H](C)O)c[nH+]2)CC1 ZINC000072223732 390429334 /nfs/dbraw/zinc/42/93/34/390429334.db2.gz YIMCCOVLIMKCOB-NSHDSACASA-N 1 1 263.341 1.112 40 0 CDABMO c1cncc(N2CCO[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)c1 ZINC000107801666 390588474 /nfs/dbraw/zinc/58/84/74/390588474.db2.gz SFVFBDLXHMYXQE-BMFZPTHFSA-N 1 1 289.379 1.008 40 0 CDABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000072228146 390627328 /nfs/dbraw/zinc/62/73/28/390627328.db2.gz VMPLZYBGHYRCFN-JKSUJKDBSA-N 1 1 296.326 1.826 40 0 CDABMO C[N@@H+]1CCO[C@@](C)(C(=O)Nc2cnc3ccccc3c2)C1 ZINC000257201304 391648253 /nfs/dbraw/zinc/64/82/53/391648253.db2.gz AHCGQJWQRTVZOI-MRXNPFEDSA-N 1 1 285.347 1.894 40 0 CDABMO C[N@H+]1CCO[C@@](C)(C(=O)Nc2cnc3ccccc3c2)C1 ZINC000257201304 391648257 /nfs/dbraw/zinc/64/82/57/391648257.db2.gz AHCGQJWQRTVZOI-MRXNPFEDSA-N 1 1 285.347 1.894 40 0 CDABMO CCN(CC)C(=O)CN(CC)c1cc(C)[nH+]c(C)n1 ZINC000005469497 170102412 /nfs/dbraw/zinc/10/24/12/170102412.db2.gz LOYBLURXACBBGC-UHFFFAOYSA-N 1 1 264.373 1.788 40 0 CDABMO CO[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CCC[C@H]12)C(C)C ZINC000008618661 170343213 /nfs/dbraw/zinc/34/32/13/170343213.db2.gz AORFDVNAPHMKAU-JGGQBBKZSA-N 1 1 297.395 1.356 40 0 CDABMO CCOc1ccc(N)cc1C(=O)N1CC[NH+](C)CC1 ZINC000020155824 171038805 /nfs/dbraw/zinc/03/88/05/171038805.db2.gz XKKSEWJEZLZHOW-UHFFFAOYSA-N 1 1 263.341 1.055 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cc(F)ccc1F ZINC000072397677 176394960 /nfs/dbraw/zinc/39/49/60/176394960.db2.gz CXRGNYDKPUQGJC-DDTOSNHZSA-N 1 1 282.334 1.604 40 0 CDABMO Cc1cc2c(cc1C[N@H+]1CCC[C@H](CO)C1)OCO2 ZINC000072397876 176395645 /nfs/dbraw/zinc/39/56/45/176395645.db2.gz PXJVUWDPNBJNIO-LBPRGKRZSA-N 1 1 263.337 1.928 40 0 CDABMO CCCNc1ncc(C[NH2+]Cc2ccccn2)cn1 ZINC000062717714 262302446 /nfs/dbraw/zinc/30/24/46/262302446.db2.gz UTJCZMGEENVUEP-UHFFFAOYSA-N 1 1 257.341 1.983 40 0 CDABMO C[C@@H]1C(=O)Nc2ccccc2N1C(=O)C[NH+]1CCCC1 ZINC000004984365 274281688 /nfs/dbraw/zinc/28/16/88/274281688.db2.gz QNMYNIDGXQPJAR-LLVKDONJSA-N 1 1 273.336 1.456 40 0 CDABMO C[N@H+]1C[C@@H](C(=O)NC2CC2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595570 1159317332 /nfs/dbraw/zinc/31/73/32/1159317332.db2.gz GSHFATLNXYGLMA-IPYPFGDCSA-N 1 1 272.348 1.577 40 0 CDABMO CCN1CC(=O)N([C@@H]2C[N@H+](C)Cc3ccccc32)C1=O ZINC000777663493 709606870 /nfs/dbraw/zinc/60/68/70/709606870.db2.gz FITKAUQUSHTCQZ-CYBMUJFWSA-N 1 1 273.336 1.457 40 0 CDABMO CCN1CC(=O)N([C@@H]2C[N@@H+](C)Cc3ccccc32)C1=O ZINC000777663493 709606893 /nfs/dbraw/zinc/60/68/93/709606893.db2.gz FITKAUQUSHTCQZ-CYBMUJFWSA-N 1 1 273.336 1.457 40 0 CDABMO CN1CC[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1CO ZINC000931397945 711505855 /nfs/dbraw/zinc/50/58/55/711505855.db2.gz CLMPFUVNKUQXBM-CQSZACIVSA-N 1 1 252.402 1.565 40 0 CDABMO CCOc1ccc([C@@H]([NH3+])c2nnc(C)[nH]2)cc1OCC ZINC000095534499 185006399 /nfs/dbraw/zinc/00/63/99/185006399.db2.gz QRSOISCMKRBDDS-CYBMUJFWSA-N 1 1 276.340 1.959 40 0 CDABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cnn(C)c1 ZINC000096055773 185075556 /nfs/dbraw/zinc/07/55/56/185075556.db2.gz XYIWOVTZPFGSHV-LSDHHAIUSA-N 1 1 262.401 1.725 40 0 CDABMO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccncc2)N1CC1CC1 ZINC000096081286 185091257 /nfs/dbraw/zinc/09/12/57/185091257.db2.gz KOYGPXBKSNQJAG-CABCVRRESA-N 1 1 271.364 1.667 40 0 CDABMO CO[C@@H]1CCN(C(C)=O)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096108579 185099700 /nfs/dbraw/zinc/09/97/00/185099700.db2.gz QDZFBVJCIVTETL-ARFHVFGLSA-N 1 1 289.379 1.149 40 0 CDABMO C[C@@H]1[NH2+]CCn2c(COCc3ccccn3)cnc21 ZINC000096109903 185099820 /nfs/dbraw/zinc/09/98/20/185099820.db2.gz FAVUXCIAYBEAIE-NSHDSACASA-N 1 1 258.325 1.659 40 0 CDABMO CCCC[N@H+]1CCC[C@]2(CC(C(=O)NC)=NO2)C1 ZINC000585101298 342212333 /nfs/dbraw/zinc/21/23/33/342212333.db2.gz WGPJCZKHPTWNIZ-ZDUSSCGKSA-N 1 1 253.346 1.143 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2c[nH]c3ccccc23)C[C@@H]1CC(N)=O ZINC000585277643 342256386 /nfs/dbraw/zinc/25/63/86/342256386.db2.gz NYZMZHGCSOUDFY-NHYWBVRUSA-N 1 1 287.363 1.490 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2c[nH]c3ccccc23)C[C@H]1CC(N)=O ZINC000585277642 342256494 /nfs/dbraw/zinc/25/64/94/342256494.db2.gz NYZMZHGCSOUDFY-ABAIWWIYSA-N 1 1 287.363 1.490 40 0 CDABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(F)(F)F ZINC000254303150 342434296 /nfs/dbraw/zinc/43/42/96/342434296.db2.gz GHBNKDTUGOITPV-NXEZZACHSA-N 1 1 264.291 1.929 40 0 CDABMO C[NH+]1CCC(C(=O)N2CCNC[C@@H]2c2ccccc2)CC1 ZINC000257318083 362585594 /nfs/dbraw/zinc/58/55/94/362585594.db2.gz VMLFTHBYLOWNTJ-MRXNPFEDSA-N 1 1 287.407 1.501 40 0 CDABMO c1cnnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4cncnc4)C[C@H]23)c1 ZINC000257344200 362588339 /nfs/dbraw/zinc/58/83/39/362588339.db2.gz ZWDNHKUWSULSHM-QLFBSQMISA-N 1 1 296.378 1.589 40 0 CDABMO C[C@H](C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000215602274 346439285 /nfs/dbraw/zinc/43/92/85/346439285.db2.gz ONYSJKIEDCRUAN-JTNHKYCSSA-N 1 1 280.343 1.504 40 0 CDABMO COC(=O)CC[N@H+]1CCN(Cc2cccn2C)[C@H](C)C1 ZINC000154775321 351336092 /nfs/dbraw/zinc/33/60/92/351336092.db2.gz PIBYXKDUUXRAIY-CYBMUJFWSA-N 1 1 279.384 1.094 40 0 CDABMO COC(=O)CCN1CC[N@H+](Cc2cccn2C)[C@H](C)C1 ZINC000154775321 351336094 /nfs/dbraw/zinc/33/60/94/351336094.db2.gz PIBYXKDUUXRAIY-CYBMUJFWSA-N 1 1 279.384 1.094 40 0 CDABMO COC(=O)CCN1CC[N@@H+](Cc2cccn2C)[C@H](C)C1 ZINC000154775321 351336096 /nfs/dbraw/zinc/33/60/96/351336096.db2.gz PIBYXKDUUXRAIY-CYBMUJFWSA-N 1 1 279.384 1.094 40 0 CDABMO O=C([O-])CCC[C@H]1[NH2+]C[C@@H]2CCC[N@@H+]3CCC[C@@H]1[C@H]23 ZINC000004082032 304051801 /nfs/dbraw/zinc/05/18/01/304051801.db2.gz AZXHMEMRJYOODA-XPCVCDNBSA-N 1 1 266.385 1.704 40 0 biogenic CDABMO O=C([O-])CCC[C@H]1[NH2+]C[C@@H]2CCC[N@H+]3CCC[C@@H]1[C@H]23 ZINC000004082032 304051804 /nfs/dbraw/zinc/05/18/04/304051804.db2.gz AZXHMEMRJYOODA-XPCVCDNBSA-N 1 1 266.385 1.704 40 0 biogenic CDABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccn(C(F)F)n1)C2 ZINC000002790889 358502562 /nfs/dbraw/zinc/50/25/62/358502562.db2.gz OSBBEYDYVYSHQG-PBINXNQUSA-N 1 1 284.310 1.633 40 0 CDABMO CN1CCN(CCC[NH+]2C[C@H]3CC=CC[C@@H]3C2)CC1 ZINC000019366874 356482742 /nfs/dbraw/zinc/48/27/42/356482742.db2.gz FNUJFJIIMIYYBY-HZPDHXFCSA-N 1 1 263.429 1.522 40 0 CDABMO C[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000079393358 356989511 /nfs/dbraw/zinc/98/95/11/356989511.db2.gz PHWJXFLAHFILCC-UHFFFAOYSA-N 1 1 262.353 1.667 40 0 CDABMO C[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000079393358 356989514 /nfs/dbraw/zinc/98/95/14/356989514.db2.gz PHWJXFLAHFILCC-UHFFFAOYSA-N 1 1 262.353 1.667 40 0 CDABMO CN(C[C@H]1CC[N@@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079407880 356991226 /nfs/dbraw/zinc/99/12/26/356991226.db2.gz IJSLDRLGZISIDT-LLVKDONJSA-N 1 1 258.362 1.168 40 0 CDABMO COC(=O)c1ccccc1Nc1cc(N)[nH+]c(C)n1 ZINC000049467314 357215472 /nfs/dbraw/zinc/21/54/72/357215472.db2.gz NMMFJPSHBPESEN-UHFFFAOYSA-N 1 1 258.281 1.897 40 0 CDABMO COCCc1nc(N)cc(Nc2ccc(OC)cc2)[nH+]1 ZINC000049467741 357216308 /nfs/dbraw/zinc/21/63/08/357216308.db2.gz ITHHCDQKQZYLNU-UHFFFAOYSA-N 1 1 274.324 2.000 40 0 CDABMO COc1ccc([C@@H]2CCC[N@@H+]2CC(N)=O)cc1OC ZINC000051283584 357252119 /nfs/dbraw/zinc/25/21/19/357252119.db2.gz CVGGIJXQEXCXKK-NSHDSACASA-N 1 1 264.325 1.326 40 0 CDABMO COc1ccc([C@@H]2CCC[N@H+]2CC(N)=O)cc1OC ZINC000051283584 357252121 /nfs/dbraw/zinc/25/21/21/357252121.db2.gz CVGGIJXQEXCXKK-NSHDSACASA-N 1 1 264.325 1.326 40 0 CDABMO COc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000027932418 357947591 /nfs/dbraw/zinc/94/75/91/357947591.db2.gz QVEXLZPLUKRTBR-ZDUSSCGKSA-N 1 1 290.363 1.624 40 0 CDABMO CC[N@H+]1CCC2(CN(C(=O)NCc3ccccc3)C2)C1 ZINC000096202739 358719096 /nfs/dbraw/zinc/71/90/96/358719096.db2.gz MMDJRHNVVASERJ-UHFFFAOYSA-N 1 1 273.380 1.924 40 0 CDABMO CCOC[C@@H]1CCC2(CCN(c3ncccn3)CC2)[N@H+]1C ZINC000096207112 358719974 /nfs/dbraw/zinc/71/99/74/358719974.db2.gz KWAOHHPLXZJIOQ-AWEZNQCLSA-N 1 1 290.411 1.946 40 0 CDABMO O=C(C[C@]12COC[C@H]1C[N@@H+](CC1CCC1)C2)N1CCCC1 ZINC000096206019 358720603 /nfs/dbraw/zinc/72/06/03/358720603.db2.gz SDKAFSQCOYPGPV-WBVHZDCISA-N 1 1 292.423 1.747 40 0 CDABMO C[N@@H+]1CCOCC12CCN(C(=O)c1cscn1)CC2 ZINC000096226204 358723166 /nfs/dbraw/zinc/72/31/66/358723166.db2.gz HONZSKPUFCVPTD-UHFFFAOYSA-N 1 1 281.381 1.080 40 0 CDABMO C[N@H+]1CCOCC12CCN(C(=O)c1cscn1)CC2 ZINC000096226204 358723168 /nfs/dbraw/zinc/72/31/68/358723168.db2.gz HONZSKPUFCVPTD-UHFFFAOYSA-N 1 1 281.381 1.080 40 0 CDABMO O=C1[C@H]2C[N@@H+](CC3CC3)C[C@H]2CN1Cc1ccncc1 ZINC000096245133 358724507 /nfs/dbraw/zinc/72/45/07/358724507.db2.gz WOWDIJNJOIPQKY-GJZGRUSLSA-N 1 1 271.364 1.382 40 0 CDABMO CN(C)Cc1nnn2c1C[N@H+](Cc1cccnc1)CCC2 ZINC000096259478 358728631 /nfs/dbraw/zinc/72/86/31/358728631.db2.gz FGTDHZWGORAKNH-UHFFFAOYSA-N 1 1 286.383 1.141 40 0 CDABMO CN(C)Cc1nnn2c1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096259478 358728634 /nfs/dbraw/zinc/72/86/34/358728634.db2.gz FGTDHZWGORAKNH-UHFFFAOYSA-N 1 1 286.383 1.141 40 0 CDABMO CC(C)Oc1ncnc2c1CC[N@H+]([C@@H]1CCOC1)CC2 ZINC000096255653 358728706 /nfs/dbraw/zinc/72/87/06/358728706.db2.gz SSFFRKWISHZVLT-GFCCVEGCSA-N 1 1 277.368 1.453 40 0 CDABMO CC(C)OCc1nn(CC2CC2)c2c1C[N@H+](CCO)CC2 ZINC000096259825 358729531 /nfs/dbraw/zinc/72/95/31/358729531.db2.gz CNXVJAGXPHLFBZ-UHFFFAOYSA-N 1 1 293.411 1.569 40 0 CDABMO CC(C)OCc1nn(CC2CC2)c2c1C[N@@H+](CCO)CC2 ZINC000096259825 358729532 /nfs/dbraw/zinc/72/95/32/358729532.db2.gz CNXVJAGXPHLFBZ-UHFFFAOYSA-N 1 1 293.411 1.569 40 0 CDABMO Cc1cccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1F ZINC000225426091 359587838 /nfs/dbraw/zinc/58/78/38/359587838.db2.gz WOQWVHNICMRCRU-OLZOCXBDSA-N 1 1 294.370 1.661 40 0 CDABMO Cc1cccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1F ZINC000225426091 359587841 /nfs/dbraw/zinc/58/78/41/359587841.db2.gz WOQWVHNICMRCRU-OLZOCXBDSA-N 1 1 294.370 1.661 40 0 CDABMO CN1C(=O)c2cccnc2O[C@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000514289729 360119959 /nfs/dbraw/zinc/11/99/59/360119959.db2.gz NWMPLMILXZPERC-OLZOCXBDSA-N 1 1 273.336 1.151 40 0 biogenic,in-vitro CDABMO CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@]2([NH3+])COC)cc1 ZINC000218493876 372926227 /nfs/dbraw/zinc/92/62/27/372926227.db2.gz DVJULQOTMMBCMX-MGPQQGTHSA-N 1 1 283.393 1.103 40 0 CDABMO COc1ccc(CCCCNC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000225488773 374495802 /nfs/dbraw/zinc/49/58/02/374495802.db2.gz HDKYGVQVJRATSY-OAHLLOKOSA-N 1 1 292.379 1.123 40 0 CDABMO C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H](C)N1C[C@H]1CCOC1 ZINC000225598761 375170068 /nfs/dbraw/zinc/17/00/68/375170068.db2.gz DXKAABMWUJOQEF-XUWVNRHRSA-N 1 1 282.428 1.454 40 0 CDABMO C[C@@H]1CN(C[C@@H]2CCOC2)C[C@H](C)[N@H+]1C[C@H]1CCOC1 ZINC000225598761 375170077 /nfs/dbraw/zinc/17/00/77/375170077.db2.gz DXKAABMWUJOQEF-XUWVNRHRSA-N 1 1 282.428 1.454 40 0 CDABMO C[C@@H]1CN(C[C@@H]2CCOC2)C[C@H](C)[N@@H+]1C[C@H]1CCOC1 ZINC000225598761 375170083 /nfs/dbraw/zinc/17/00/83/375170083.db2.gz DXKAABMWUJOQEF-XUWVNRHRSA-N 1 1 282.428 1.454 40 0 CDABMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H]1C(C)=CCC[C@@H]1C ZINC000230311831 375561057 /nfs/dbraw/zinc/56/10/57/375561057.db2.gz GVMYSEUEEJARIT-XUXIUFHCSA-N 1 1 267.369 1.587 40 0 CDABMO CCN(CC)CC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256050462 190003264 /nfs/dbraw/zinc/00/32/64/190003264.db2.gz FCEHFSFSDJGWNH-UHFFFAOYSA-N 1 1 278.322 1.870 40 0 CDABMO CCn1ncc(C[NH2+]Cc2cnn(CCF)c2)c1F ZINC000256052955 190004350 /nfs/dbraw/zinc/00/43/50/190004350.db2.gz PIWBRDNOFIRKFG-UHFFFAOYSA-N 1 1 269.299 1.498 40 0 CDABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000257201477 190011118 /nfs/dbraw/zinc/01/11/18/190011118.db2.gz AHVRZNSFWZVUOF-CYBMUJFWSA-N 1 1 259.357 1.831 40 0 CDABMO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@H]12 ZINC000257203438 190011490 /nfs/dbraw/zinc/01/14/90/190011490.db2.gz AQAWGKVDACZHMZ-VHDGCEQUSA-N 1 1 298.394 1.547 40 0 CDABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000257288285 190026763 /nfs/dbraw/zinc/02/67/63/190026763.db2.gz PTPJVTAWHTZZPS-GFCCVEGCSA-N 1 1 257.341 1.806 40 0 CDABMO Cc1nnc(Nc2cc(C3C[NH2+]C3)nc(C)n2)s1 ZINC000257278232 190025151 /nfs/dbraw/zinc/02/51/51/190025151.db2.gz OBJWJCNTGQEVPU-UHFFFAOYSA-N 1 1 262.342 1.375 40 0 CDABMO Nc1nccnc1C[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000257332311 190035294 /nfs/dbraw/zinc/03/52/94/190035294.db2.gz XWSGGSGCRIHLJE-NSHDSACASA-N 1 1 289.408 1.970 40 0 CDABMO Nc1nccnc1C[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000257332311 190035295 /nfs/dbraw/zinc/03/52/95/190035295.db2.gz XWSGGSGCRIHLJE-NSHDSACASA-N 1 1 289.408 1.970 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@@H](c3nccc(C)n3)C2)CC1 ZINC000257333304 190035640 /nfs/dbraw/zinc/03/56/40/190035640.db2.gz YBALMMPAUMWYJU-CQSZACIVSA-N 1 1 288.395 1.585 40 0 CDABMO Cn1c(C(=O)N2CC[NH+](C)CC2)cc2c1cccc2F ZINC000040788379 378725929 /nfs/dbraw/zinc/72/59/29/378725929.db2.gz WNCQDDAZCJTXKY-UHFFFAOYSA-N 1 1 275.327 1.705 40 0 CDABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc(Br)cc1 ZINC000096525995 256730694 /nfs/dbraw/zinc/73/06/94/256730694.db2.gz QJALUGOGYBCIFM-UWVGGRQHSA-N 1 1 269.142 1.680 40 0 CDABMO CS(=O)(=O)[C@H](CO)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096525111 390539928 /nfs/dbraw/zinc/53/99/28/390539928.db2.gz VLSBBLXMZXMBDE-NXEZZACHSA-N 1 1 298.191 1.399 40 0 CDABMO CN1CCN(c2ccc([C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000072216535 390621365 /nfs/dbraw/zinc/62/13/65/390621365.db2.gz QDJDBDQKADVQHC-CQSZACIVSA-N 1 1 260.385 1.648 40 0 CDABMO CCOc1ncnc2c1CC[N@@H+](CC1CCOCC1)CC2 ZINC000096058773 390912416 /nfs/dbraw/zinc/91/24/16/390912416.db2.gz KHJQYUCWERCWFL-UHFFFAOYSA-N 1 1 291.395 1.703 40 0 CDABMO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@H+](C1CCC1)C2 ZINC000096109179 390913121 /nfs/dbraw/zinc/91/31/21/390913121.db2.gz VIUQQTIPHNHOIS-CJNGLKHVSA-N 1 1 280.412 1.746 40 0 CDABMO CCC[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000019501842 391323711 /nfs/dbraw/zinc/32/37/11/391323711.db2.gz DRUYGFVEMYZHND-GFCCVEGCSA-N 1 1 280.420 1.517 40 0 CDABMO CCNc1ncc(CNC[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000062718430 391575716 /nfs/dbraw/zinc/57/57/16/391575716.db2.gz FTJVUOKDJGNQRH-ZDUSSCGKSA-N 1 1 263.389 1.482 40 0 CDABMO CCNc1ncc(CNC[C@@H]2CCC[N@H+]2CC)cn1 ZINC000062718430 391575721 /nfs/dbraw/zinc/57/57/21/391575721.db2.gz FTJVUOKDJGNQRH-ZDUSSCGKSA-N 1 1 263.389 1.482 40 0 CDABMO CC(C)CC[N@H+]1C[C@H]2[C@H](C1)N(C)C(=O)c1cccn12 ZINC000306123445 392105188 /nfs/dbraw/zinc/10/51/88/392105188.db2.gz ANEFRZGDMJIKNJ-KBPBESRZSA-N 1 1 261.369 1.845 40 0 CDABMO CN(C)C(=O)[C@H]1CN(Cc2ccsc2)CC[N@@H+](C)C1 ZINC000257275080 397607398 /nfs/dbraw/zinc/60/73/98/397607398.db2.gz NNVKGWFZLBKZTP-CYBMUJFWSA-N 1 1 281.425 1.200 40 0 CDABMO CN(C)C(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccsc2)C1 ZINC000257275080 397607399 /nfs/dbraw/zinc/60/73/99/397607399.db2.gz NNVKGWFZLBKZTP-CYBMUJFWSA-N 1 1 281.425 1.200 40 0 CDABMO CN(C)C(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccsc2)C1 ZINC000257275080 397607400 /nfs/dbraw/zinc/60/74/00/397607400.db2.gz NNVKGWFZLBKZTP-CYBMUJFWSA-N 1 1 281.425 1.200 40 0 CDABMO COc1ccc(NC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000005510109 170105823 /nfs/dbraw/zinc/10/58/23/170105823.db2.gz GNTXMSCWTRRBCZ-UHFFFAOYSA-N 1 1 279.340 1.483 40 0 CDABMO CC(=O)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2C)n1 ZINC000072355403 176374724 /nfs/dbraw/zinc/37/47/24/176374724.db2.gz BGFUIBNOSDATDO-CYBMUJFWSA-N 1 1 271.324 1.654 40 0 CDABMO C[N@H+]1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377395 176386089 /nfs/dbraw/zinc/38/60/89/176386089.db2.gz PLTQPIJFWJYSAI-LLVKDONJSA-N 1 1 270.340 1.819 40 0 CDABMO C[N@H+]1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000072379357 176386890 /nfs/dbraw/zinc/38/68/90/176386890.db2.gz MFPSCQAJVWDAPZ-ZDUSSCGKSA-N 1 1 283.335 1.891 40 0 CDABMO CN1C(=O)c2cccn2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306131903 277021936 /nfs/dbraw/zinc/02/19/36/277021936.db2.gz KSJNQNHNZJAPAK-HUUCEWRRSA-N 1 1 282.347 1.394 40 0 CDABMO CN1C(=O)c2cccn2[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306131903 277021937 /nfs/dbraw/zinc/02/19/37/277021937.db2.gz KSJNQNHNZJAPAK-HUUCEWRRSA-N 1 1 282.347 1.394 40 0 CDABMO CC1(C)C[N@H+](CC(N)=O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000225646488 281233464 /nfs/dbraw/zinc/23/34/64/281233464.db2.gz VIXNAWMUUFEVNE-SUNKGSAMSA-N 1 1 252.358 1.141 40 0 CDABMO CC1(C)C[N@@H+](CC(N)=O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000225646488 281233465 /nfs/dbraw/zinc/23/34/65/281233465.db2.gz VIXNAWMUUFEVNE-SUNKGSAMSA-N 1 1 252.358 1.141 40 0 CDABMO Cc1cn[nH]c1[C@H]1COCCN1C1CC[NH+](C)CC1 ZINC000257336200 302330217 /nfs/dbraw/zinc/33/02/17/302330217.db2.gz YNNDFULJNQUTFF-CYBMUJFWSA-N 1 1 264.373 1.186 40 0 CDABMO [NH3+][C@@H](c1nc(-c2cnccn2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533967 185007597 /nfs/dbraw/zinc/00/75/97/185007597.db2.gz ZQYQKBRLTHIVLC-LLVKDONJSA-N 1 1 286.726 1.963 40 0 CDABMO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3C3CCOCC3)O2)o1 ZINC000096040918 185069001 /nfs/dbraw/zinc/06/90/01/185069001.db2.gz IJFBYCSHFFYXAW-MCIONIFRSA-N 1 1 293.367 1.851 40 0 CDABMO CCN(C)c1ncnc2c1CC[N@@H+](CC1CC1)CC2 ZINC000096058812 185078784 /nfs/dbraw/zinc/07/87/84/185078784.db2.gz DYBINLPFVOYFEE-UHFFFAOYSA-N 1 1 260.385 1.743 40 0 CDABMO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)o1 ZINC000096061616 185082919 /nfs/dbraw/zinc/08/29/19/185082919.db2.gz XTIPRLCHKLVWJP-LSDHHAIUSA-N 1 1 275.352 1.499 40 0 CDABMO CC(C)(O)C[N@H+]1CCC[C@@]2(C[C@H](c3cncnc3)CO2)C1 ZINC000096073485 185088375 /nfs/dbraw/zinc/08/83/75/185088375.db2.gz BMOFOBUCYAPTBV-XJKSGUPXSA-N 1 1 291.395 1.586 40 0 CDABMO C[NH+](C)C[C@H]1C[C@@H]2CN(Cc3ccoc3)C[C@@H]2O1 ZINC000096100354 185098270 /nfs/dbraw/zinc/09/82/70/185098270.db2.gz QQJRHVVBGOVFOK-MCIONIFRSA-N 1 1 250.342 1.431 40 0 CDABMO O=C(N1CCCC1)N1C[C@@H]2C[N@@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096107988 185099689 /nfs/dbraw/zinc/09/96/89/185099689.db2.gz UTNANMFOEKQZJM-LSDHHAIUSA-N 1 1 293.411 1.245 40 0 CDABMO C[N@@H+]1Cc2cccn2C[C@@H](CC(=O)NCc2ccco2)C1 ZINC000585099114 342212257 /nfs/dbraw/zinc/21/22/57/342212257.db2.gz MTVAOTRLWPGJOW-ZDUSSCGKSA-N 1 1 287.363 1.849 40 0 CDABMO Cn1cc(C[NH+]2CC3(C2)C[C@H](OCC2CC2)CS3)cn1 ZINC000248097190 362149833 /nfs/dbraw/zinc/14/98/33/362149833.db2.gz DBPVRUMSNTZMNF-AWEZNQCLSA-N 1 1 293.436 1.907 40 0 CDABMO COc1ccc2c3c1O[C@@H]1C(=O)CC[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000002034102 347413400 /nfs/dbraw/zinc/41/34/00/347413400.db2.gz LLPOLZWFYMWNKH-MIFHMHLRSA-N 1 1 299.370 1.933 40 0 CDABMO COc1ccccc1OC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000035074998 355954386 /nfs/dbraw/zinc/95/43/86/355954386.db2.gz IZIUAPHQUZQLQD-MCIONIFRSA-N 1 1 295.379 1.544 40 0 CDABMO COC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1C(F)(F)F ZINC000016159119 356433454 /nfs/dbraw/zinc/43/34/54/356433454.db2.gz HDACRITYBVVSQT-VIFPVBQESA-N 1 1 263.215 1.454 40 0 CDABMO CC[NH+]1CCN(C(=O)CSc2ccc(OC)cc2)CC1 ZINC000020045359 356522459 /nfs/dbraw/zinc/52/24/59/356522459.db2.gz LIJDDESWNZSIIP-UHFFFAOYSA-N 1 1 294.420 1.951 40 0 CDABMO O=C([O-])C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393341 356989874 /nfs/dbraw/zinc/98/98/74/356989874.db2.gz IFEIQTGDRPSKFT-CQSZACIVSA-N 1 1 262.353 1.573 40 0 CDABMO CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCN(CCO)C1 ZINC000079414259 356994174 /nfs/dbraw/zinc/99/41/74/356994174.db2.gz RWTSLPHCOFWTFX-INIZCTEOSA-N 1 1 262.397 1.964 40 0 CDABMO C[C@H]1CN(C(=O)OCc2ccccc2)CC[N@@H+]1CCO ZINC000079419857 356996627 /nfs/dbraw/zinc/99/66/27/356996627.db2.gz YBYSKCUWEPEPTN-ZDUSSCGKSA-N 1 1 278.352 1.322 40 0 CDABMO C[C@H]1CN(C(=O)OCc2ccccc2)CC[N@H+]1CCO ZINC000079419857 356996631 /nfs/dbraw/zinc/99/66/31/356996631.db2.gz YBYSKCUWEPEPTN-ZDUSSCGKSA-N 1 1 278.352 1.322 40 0 CDABMO CO[C@@H]1C=CC2=CC[N@H+]3CCC4=C(CC(=O)OC4)[C@@]23C1 ZINC000078193505 358033162 /nfs/dbraw/zinc/03/31/62/358033162.db2.gz PXWINCSLFXUWBZ-CZUORRHYSA-N 1 1 273.332 1.589 40 0 CDABMO C[NH+](C)CCNCC(=O)N1CCCc2ccccc21 ZINC000022586124 358051113 /nfs/dbraw/zinc/05/11/13/358051113.db2.gz JQJOBZXGICHECK-UHFFFAOYSA-N 1 1 261.369 1.117 40 0 CDABMO C[N@H+]1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000082309222 358158567 /nfs/dbraw/zinc/15/85/67/358158567.db2.gz NJGAASCOCWCGAB-HNNXBMFYSA-N 1 1 258.365 1.913 40 0 CDABMO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccsc1 ZINC000096184480 358713995 /nfs/dbraw/zinc/71/39/95/358713995.db2.gz XOOHZGXXOCYBIL-NEPJUHHUSA-N 1 1 286.422 1.356 40 0 CDABMO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccsc1 ZINC000096184480 358713996 /nfs/dbraw/zinc/71/39/96/358713996.db2.gz XOOHZGXXOCYBIL-NEPJUHHUSA-N 1 1 286.422 1.356 40 0 CDABMO CN(C)C(=O)C[N@@H+]1CCC2(CN(Cc3ccccc3)C2)C1 ZINC000096202653 358719281 /nfs/dbraw/zinc/71/92/81/358719281.db2.gz HTXQUPBNRORGLR-UHFFFAOYSA-N 1 1 287.407 1.283 40 0 CDABMO CN(C)C(=O)C[N@H+]1CCC2(CN(Cc3ccccc3)C2)C1 ZINC000096202653 358719283 /nfs/dbraw/zinc/71/92/83/358719283.db2.gz HTXQUPBNRORGLR-UHFFFAOYSA-N 1 1 287.407 1.283 40 0 CDABMO COC[C@]12COC[C@H]1C[N@@H+](CCOCc1ccccc1)C2 ZINC000096209596 358721026 /nfs/dbraw/zinc/72/10/26/358721026.db2.gz VAXWHXDKXUIQRV-IAGOWNOFSA-N 1 1 291.391 1.798 40 0 CDABMO O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccoc2)N1c1cncnc1 ZINC000096245929 358725794 /nfs/dbraw/zinc/72/57/94/358725794.db2.gz GKUJDYHWUXQGSA-KBPBESRZSA-N 1 1 284.319 1.449 40 0 CDABMO CC(C)Oc1ncnc2c1CC[N@H+]([C@H]1CCOC1)CC2 ZINC000096255654 358728965 /nfs/dbraw/zinc/72/89/65/358728965.db2.gz SSFFRKWISHZVLT-LBPRGKRZSA-N 1 1 277.368 1.453 40 0 CDABMO Cc1ccc(CCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000022914105 359142167 /nfs/dbraw/zinc/14/21/67/359142167.db2.gz VBDJCUNBWQHKEM-UHFFFAOYSA-N 1 1 290.407 1.766 40 0 CDABMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccncc2Cl)[C@H](C)C1 ZINC000225425620 374360445 /nfs/dbraw/zinc/36/04/45/374360445.db2.gz QKPNFAHRDAQHRM-MNOVXSKESA-N 1 1 297.786 1.262 40 0 CDABMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccncc2Cl)[C@H](C)C1 ZINC000225425620 374360446 /nfs/dbraw/zinc/36/04/46/374360446.db2.gz QKPNFAHRDAQHRM-MNOVXSKESA-N 1 1 297.786 1.262 40 0 CDABMO COc1ccnc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1OC ZINC000225598644 375169961 /nfs/dbraw/zinc/16/99/61/375169961.db2.gz SVFVMBQTUSDEGE-TXEJJXNPSA-N 1 1 279.384 1.623 40 0 CDABMO CCn1cc(C[NH2+]Cc2cnn(C)c2C(F)(F)F)cn1 ZINC000256050272 190002867 /nfs/dbraw/zinc/00/28/67/190002867.db2.gz DKFQLWWADGDCIV-UHFFFAOYSA-N 1 1 287.289 1.945 40 0 CDABMO CCN(CC)CC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256053180 190004580 /nfs/dbraw/zinc/00/45/80/190004580.db2.gz QJVWFQUONYUFJZ-UHFFFAOYSA-N 1 1 278.322 1.870 40 0 CDABMO CCn1nc(C)c(C[NH2+]Cc2ccnn2CCF)c1F ZINC000256055240 190005665 /nfs/dbraw/zinc/00/56/65/190005665.db2.gz ZVXOGTXHXOEPTG-UHFFFAOYSA-N 1 1 283.326 1.806 40 0 CDABMO C[N@H+]1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257213790 190013562 /nfs/dbraw/zinc/01/35/62/190013562.db2.gz CJBPDSMHBNYUCE-LLVKDONJSA-N 1 1 270.340 1.819 40 0 CDABMO Cn1nccc1NC(=O)c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000257274364 190024645 /nfs/dbraw/zinc/02/46/45/190024645.db2.gz NKSBGMCVHCHGIX-CYBMUJFWSA-N 1 1 285.351 1.834 40 0 CDABMO CCN1CC[NH+](C[C@H](O)COC2CCC(C)CC2)CC1 ZINC000041690165 379448750 /nfs/dbraw/zinc/44/87/50/379448750.db2.gz SOMFTOZWGVTKOY-PCKAHOCUSA-N 1 1 284.444 1.580 40 0 CDABMO CS(=O)(=O)[C@H](CO)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096525114 390539997 /nfs/dbraw/zinc/53/99/97/390539997.db2.gz VLSBBLXMZXMBDE-ZJUUUORDSA-N 1 1 298.191 1.399 40 0 CDABMO Cc1ccc(N2CC[C@H]3OCC[N@H+](C)[C@H]3CC2)nn1 ZINC000096082182 390912774 /nfs/dbraw/zinc/91/27/74/390912774.db2.gz RUAFSQMCKDJSHL-QWHCGFSZSA-N 1 1 262.357 1.084 40 0 CDABMO C[N@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](c2ccccc2)C1 ZINC000332845712 390979939 /nfs/dbraw/zinc/97/99/39/390979939.db2.gz GRBFRFCPROXMFO-HUUCEWRRSA-N 1 1 282.347 1.304 40 0 CDABMO O=C(CC[N@@H+](Cc1ccccc1)C1CC1)N1CCOCC1 ZINC000051403055 391571626 /nfs/dbraw/zinc/57/16/26/391571626.db2.gz VQLOBFOPCCWZLO-UHFFFAOYSA-N 1 1 288.391 1.900 40 0 CDABMO C[NH+]1CCN(C(=S)NCCc2ccccc2)CC1 ZINC000008663899 170344715 /nfs/dbraw/zinc/34/47/15/170344715.db2.gz BIXNRMAOFPWAJF-UHFFFAOYSA-N 1 1 263.410 1.351 40 0 CDABMO O=C1NCC[NH2+][C@@H]1Cc1ccccc1-c1ccncc1 ZINC000072351327 176374341 /nfs/dbraw/zinc/37/43/41/176374341.db2.gz UFDZSXVJQLWSRI-OAHLLOKOSA-N 1 1 267.332 1.379 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cc(CCO)n[nH]3)C2)cn1 ZINC000072364268 176379082 /nfs/dbraw/zinc/37/90/82/176379082.db2.gz DKYXCLSYJFZDBL-CYBMUJFWSA-N 1 1 289.383 1.058 40 0 CDABMO Cn1cc(C[N@@H+]2CCC[C@@H](c3cc(CCO)[nH]n3)C2)cn1 ZINC000072364268 176379083 /nfs/dbraw/zinc/37/90/83/176379083.db2.gz DKYXCLSYJFZDBL-CYBMUJFWSA-N 1 1 289.383 1.058 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cc(CCO)[nH]n3)C2)cn1 ZINC000072364268 176379085 /nfs/dbraw/zinc/37/90/85/176379085.db2.gz DKYXCLSYJFZDBL-CYBMUJFWSA-N 1 1 289.383 1.058 40 0 CDABMO CC[NH+]1CCN(C(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000006331133 276383016 /nfs/dbraw/zinc/38/30/16/276383016.db2.gz LBWDAMLKIXNBIS-XQQFMLRXSA-N 1 1 267.442 1.687 40 0 CDABMO C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306137019 277200135 /nfs/dbraw/zinc/20/01/35/277200135.db2.gz QJDIPSTZVXQNOK-NWDGAFQWSA-N 1 1 297.362 1.264 40 0 CDABMO Cc1ccc2oc(=O)c(C(=O)N3CC[NH+](C)CC3)cc2c1 ZINC000226037258 278905119 /nfs/dbraw/zinc/90/51/19/278905119.db2.gz GRALREUNPCBUMK-UHFFFAOYSA-N 1 1 286.331 1.489 40 0 CDABMO CCCC[N@@H+](C)C[C@@H]1[C@H](CC)CN(C(=O)CC)[C@@H]1CO ZINC001772595017 1159309838 /nfs/dbraw/zinc/30/98/38/1159309838.db2.gz PSCRQHCDWQCHOL-RBSFLKMASA-N 1 1 284.444 1.974 40 0 CDABMO C[C@H](CNC(=O)c1ccnc(C2CC2)n1)[N@@H+](C)C1CC1 ZINC000069701840 342008361 /nfs/dbraw/zinc/00/83/61/342008361.db2.gz JJGRTHAJTSSIIL-SNVBAGLBSA-N 1 1 274.368 1.567 40 0 CDABMO C[N@@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]2CN(C(N)=O)C[C@@H]21 ZINC000096038537 185069266 /nfs/dbraw/zinc/06/92/66/185069266.db2.gz YAHFKEQTIVKDCB-QLFBSQMISA-N 1 1 288.395 1.693 40 0 CDABMO O=C(N1CCCO1)[C@@]12CCO[C@@H]1CC[N@@H+](CC1CCC1)C2 ZINC000096038842 185069515 /nfs/dbraw/zinc/06/95/15/185069515.db2.gz IZGIMCTXTYWTSZ-GDBMZVCRSA-N 1 1 294.395 1.431 40 0 CDABMO C[N@@H+]1CCOCC12CCN(Cc1ccoc1)CC2 ZINC000096048900 185073412 /nfs/dbraw/zinc/07/34/12/185073412.db2.gz NTTNRFSHAVTYMJ-UHFFFAOYSA-N 1 1 250.342 1.576 40 0 CDABMO C[N@H+]1CCOCC12CCN(Cc1ccoc1)CC2 ZINC000096048900 185073414 /nfs/dbraw/zinc/07/34/14/185073414.db2.gz NTTNRFSHAVTYMJ-UHFFFAOYSA-N 1 1 250.342 1.576 40 0 CDABMO c1cncc(CO[C@H]2C[C@H]3C[N@@H+](CC4CC4)CCN3C2)c1 ZINC000096055050 185076413 /nfs/dbraw/zinc/07/64/13/185076413.db2.gz YRLXUVSHVKUPFH-IRXDYDNUSA-N 1 1 287.407 1.767 40 0 CDABMO c1cncc(CO[C@H]2C[C@H]3CN(CC4CC4)CC[N@@H+]3C2)c1 ZINC000096055050 185076414 /nfs/dbraw/zinc/07/64/14/185076414.db2.gz YRLXUVSHVKUPFH-IRXDYDNUSA-N 1 1 287.407 1.767 40 0 CDABMO c1cncc(CO[C@H]2C[C@H]3CN(CC4CC4)CC[N@H+]3C2)c1 ZINC000096055050 185076416 /nfs/dbraw/zinc/07/64/16/185076416.db2.gz YRLXUVSHVKUPFH-IRXDYDNUSA-N 1 1 287.407 1.767 40 0 CDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N1CCCO1 ZINC000096057313 185077627 /nfs/dbraw/zinc/07/76/27/185077627.db2.gz LRVBFXRMLUNSJB-KFWWJZLASA-N 1 1 294.395 1.145 40 0 CDABMO O=C(NC1CC1)N1CC2(C1)CC[N@@H+](Cc1ccncc1)C2 ZINC000096070830 185087076 /nfs/dbraw/zinc/08/70/76/185087076.db2.gz RIOPOLAJXPOKFO-UHFFFAOYSA-N 1 1 286.379 1.461 40 0 CDABMO COCC[C@@H]1CO[C@@]2(CC[N@@H+](Cc3[nH]cnc3C)C2)C1 ZINC000096072070 185087113 /nfs/dbraw/zinc/08/71/13/185087113.db2.gz ANNNFYNOQVMSNQ-ZFWWWQNUSA-N 1 1 279.384 1.736 40 0 CDABMO C[C@H]1c2ncc(CCOc3ccccn3)n2CC[N@@H+]1C ZINC000585098674 342212090 /nfs/dbraw/zinc/21/20/90/342212090.db2.gz WQIKAYXVELYTRR-LBPRGKRZSA-N 1 1 272.352 1.906 40 0 CDABMO C[C@]1(C(N)=O)CCC[N@@H+](CC2(O)CCCCCC2)C1 ZINC000585283334 342258494 /nfs/dbraw/zinc/25/84/94/342258494.db2.gz NODBLQHMPRQFHW-AWEZNQCLSA-N 1 1 268.401 1.659 40 0 CDABMO COC(=O)[C@H]([NH3+])C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000044329090 347058087 /nfs/dbraw/zinc/05/80/87/347058087.db2.gz DXIPFEWXUZOSON-GHMZBOCLSA-N 1 1 286.372 1.524 40 0 CDABMO OCC[N@@H+]1CCO[C@H](Cc2cccc(Cl)c2)C1 ZINC000205676378 348744005 /nfs/dbraw/zinc/74/40/05/348744005.db2.gz XIDYSNWGYXBJDZ-CYBMUJFWSA-N 1 1 255.745 1.576 40 0 CDABMO OCC[N@H+]1CCO[C@H](Cc2cccc(Cl)c2)C1 ZINC000205676378 348744006 /nfs/dbraw/zinc/74/40/06/348744006.db2.gz XIDYSNWGYXBJDZ-CYBMUJFWSA-N 1 1 255.745 1.576 40 0 CDABMO C[NH+](C)[C@@H](CNC(=O)NC1CCOCC1)c1ccco1 ZINC000062353438 363186733 /nfs/dbraw/zinc/18/67/33/363186733.db2.gz JWEVGPNXYZBSNG-LBPRGKRZSA-N 1 1 281.356 1.361 40 0 CDABMO C[N@H+]1C[C@@H]2CN(C(=O)C3CCCCC3)CCN2C(C)(C)C1 ZINC000253401092 283206868 /nfs/dbraw/zinc/20/68/68/283206868.db2.gz MLLMZRWWMJPOQL-OAHLLOKOSA-N 1 1 293.455 1.804 40 0 biogenic,in-vitro CDABMO O=C(NC[C@H]1CCC[N@H+](CCO)C1)OCc1ccccc1 ZINC000079410910 356993166 /nfs/dbraw/zinc/99/31/66/356993166.db2.gz ONWVBSRIXBQHIJ-OAHLLOKOSA-N 1 1 292.379 1.617 40 0 CDABMO Cc1ccc(C)c(C(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000061523662 357456713 /nfs/dbraw/zinc/45/67/13/357456713.db2.gz VVDVOGMBJGMSDJ-UHFFFAOYSA-N 1 1 289.423 1.671 40 0 CDABMO Cc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000061523863 358554400 /nfs/dbraw/zinc/55/44/00/358554400.db2.gz HCQUODVGUSZRGO-UHFFFAOYSA-N 1 1 289.423 1.671 40 0 CDABMO Cc1cccc(C[N@H+]2CCc3ncc(CN(C)C)n3CC2)n1 ZINC000096196787 358716406 /nfs/dbraw/zinc/71/64/06/358716406.db2.gz VJSGTKDNVXGSLH-UHFFFAOYSA-N 1 1 299.422 1.706 40 0 CDABMO Cc1cccc(C[N@@H+]2CCc3ncc(CN(C)C)n3CC2)n1 ZINC000096196787 358716410 /nfs/dbraw/zinc/71/64/10/358716410.db2.gz VJSGTKDNVXGSLH-UHFFFAOYSA-N 1 1 299.422 1.706 40 0 CDABMO COC[C@H]1C[N@H+](Cc2cccnc2)Cc2cnn(C)c21 ZINC000096198197 358717462 /nfs/dbraw/zinc/71/74/62/358717462.db2.gz BVYFICPEWICAAM-CQSZACIVSA-N 1 1 272.352 1.561 40 0 CDABMO COC[C@H]1C[N@@H+](Cc2cccnc2)Cc2cnn(C)c21 ZINC000096198197 358717464 /nfs/dbraw/zinc/71/74/64/358717464.db2.gz BVYFICPEWICAAM-CQSZACIVSA-N 1 1 272.352 1.561 40 0 CDABMO CCN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1=O ZINC000096244948 358725081 /nfs/dbraw/zinc/72/50/81/358725081.db2.gz SJJPFYKUFCCGTN-JQWIXIFHSA-N 1 1 250.367 1.658 40 0 CDABMO CNC(=O)c1cc2c(nc1NCC1CC1)CC[N@@H+](C)CC2 ZINC000096260556 358729455 /nfs/dbraw/zinc/72/94/55/358729455.db2.gz DWKNBDXMEYJLDV-UHFFFAOYSA-N 1 1 288.395 1.294 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218478160 372869408 /nfs/dbraw/zinc/86/94/08/372869408.db2.gz PKVABHMPCAGJPH-QLFBSQMISA-N 1 1 297.420 1.630 40 0 CDABMO COc1ccc(Cl)c(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000225400052 374287089 /nfs/dbraw/zinc/28/70/89/374287089.db2.gz APDWMRDKELUCHH-MNOVXSKESA-N 1 1 271.744 1.276 40 0 CDABMO COc1ccc(Cl)c(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000225400052 374287096 /nfs/dbraw/zinc/28/70/96/374287096.db2.gz APDWMRDKELUCHH-MNOVXSKESA-N 1 1 271.744 1.276 40 0 CDABMO COCCN(C)c1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)cn1 ZINC000225396174 374284782 /nfs/dbraw/zinc/28/47/82/374284782.db2.gz JUNGOBWGANKIAL-HIFRSBDPSA-N 1 1 293.411 1.367 40 0 CDABMO C[C@H](Cc1ccccc1)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000132265431 375430247 /nfs/dbraw/zinc/43/02/47/375430247.db2.gz KGMFQPSWOHKWCD-CQSZACIVSA-N 1 1 275.396 1.952 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@H](Cc3cc[nH]n3)C2)cn1 ZINC000257281416 190026412 /nfs/dbraw/zinc/02/64/12/190026412.db2.gz OPCGSYBIZKBSAL-GFCCVEGCSA-N 1 1 259.357 1.598 40 0 CDABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3nccn3C)C2)n1 ZINC000257273828 190024789 /nfs/dbraw/zinc/02/47/89/190024789.db2.gz NIKAPEXSPUZWOM-LBPRGKRZSA-N 1 1 257.341 1.508 40 0 CDABMO Cc1ccnc([C@H]2CC[N@H+](Cc3nccn3C)C2)n1 ZINC000257273828 190024790 /nfs/dbraw/zinc/02/47/90/190024790.db2.gz NIKAPEXSPUZWOM-LBPRGKRZSA-N 1 1 257.341 1.508 40 0 CDABMO Cc1c[nH]c([C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000257297742 190029240 /nfs/dbraw/zinc/02/92/40/190029240.db2.gz RIQNSEWMJKCKDK-ZDUSSCGKSA-N 1 1 276.384 1.520 40 0 CDABMO COc1cccc(OC)c1C[N@H+]1C[C@@H]2C[C@@H](O)C[C@@H]2C1 ZINC000257336204 190036349 /nfs/dbraw/zinc/03/63/49/190036349.db2.gz YNNOTEPRMBEPCW-ITGUQSILSA-N 1 1 277.364 1.907 40 0 CDABMO CC(C)[N@@H+](C)C[C@H]1C[C@@H]2CN(c3ncccn3)C[C@@H]2O1 ZINC000096251655 256834690 /nfs/dbraw/zinc/83/46/90/256834690.db2.gz QFBALGPBCJMNIC-MCIONIFRSA-N 1 1 276.384 1.411 40 0 CDABMO CC(=O)N1CCN(c2cc(C)c([C@@H](C)O)c[nH+]2)CC1 ZINC000072223731 390624128 /nfs/dbraw/zinc/62/41/28/390624128.db2.gz YIMCCOVLIMKCOB-LLVKDONJSA-N 1 1 263.341 1.112 40 0 CDABMO CCOC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096060224 390912389 /nfs/dbraw/zinc/91/23/89/390912389.db2.gz OVLITQGLBCUGNT-AWEZNQCLSA-N 1 1 293.411 1.782 40 0 CDABMO CN(Cc1ccccn1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306123041 392105130 /nfs/dbraw/zinc/10/51/30/392105130.db2.gz ADDWRTXHPGGWGV-CQSZACIVSA-N 1 1 261.369 1.425 40 0 CDABMO COCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046239030 175395266 /nfs/dbraw/zinc/39/52/66/175395266.db2.gz DWEBQAUMOVANQB-UHFFFAOYSA-N 1 1 262.353 1.197 40 0 CDABMO Cn1ccnc1[C@@]1(O)CCC[N@@H+](Cc2ccncc2)CC1 ZINC000072369580 176384308 /nfs/dbraw/zinc/38/43/08/176384308.db2.gz RMIDSUKFMJRSGB-MRXNPFEDSA-N 1 1 286.379 1.689 40 0 CDABMO Cc1nc(Cl)cc(N2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000077209586 424186659 /nfs/dbraw/zinc/18/66/59/424186659.db2.gz UJVCRULUIYJKBD-UHFFFAOYSA-N 1 1 292.774 1.499 40 0 CDABMO C[C@@]1(CO)CCC[C@H]1NCC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000104245193 278124566 /nfs/dbraw/zinc/12/45/66/278124566.db2.gz LBNBPYQPTNKLFN-FZKCQIBNSA-N 1 1 284.444 1.268 40 0 CDABMO COc1cc(OC)c(OC)cc1Cc1c[nH+]c(N)nc1N ZINC000021992500 1174243720 /nfs/dbraw/zinc/24/37/20/1174243720.db2.gz IEAAAQXTROJCRL-UHFFFAOYSA-N 1 1 290.323 1.258 40 0 CDABMO CCOc1ccc([C@@H]([NH3+])c2nc(N)n[nH]2)cc1OCC ZINC000095534625 185006017 /nfs/dbraw/zinc/00/60/17/185006017.db2.gz GVGQGAMUZVVTAX-LLVKDONJSA-N 1 1 277.328 1.232 40 0 CDABMO [NH3+][C@@H](c1nc(-c2cnccn2)n[nH]1)c1ccc(F)cc1 ZINC000095533275 185006979 /nfs/dbraw/zinc/00/69/79/185006979.db2.gz USOMGVNOIXFOKW-LLVKDONJSA-N 1 1 270.271 1.449 40 0 CDABMO Cc1noc([C@@H]2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]3O2)n1 ZINC000096045806 185072031 /nfs/dbraw/zinc/07/20/31/185072031.db2.gz CAOOLKVAZVKYQO-MELADBBJSA-N 1 1 293.367 1.566 40 0 CDABMO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(C)o1 ZINC000096057759 185076987 /nfs/dbraw/zinc/07/69/87/185076987.db2.gz CUUHNWVOURBHOL-BFHYXJOUSA-N 1 1 251.326 1.966 40 0 CDABMO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc(C)o1 ZINC000096057759 185076989 /nfs/dbraw/zinc/07/69/89/185076989.db2.gz CUUHNWVOURBHOL-BFHYXJOUSA-N 1 1 251.326 1.966 40 0 CDABMO CC(C)NC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096058230 185079133 /nfs/dbraw/zinc/07/91/33/185079133.db2.gz NGEBCHSRUMTEGI-SOUVJXGZSA-N 1 1 292.379 1.784 40 0 CDABMO CC(C)NC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096058230 185079135 /nfs/dbraw/zinc/07/91/35/185079135.db2.gz NGEBCHSRUMTEGI-SOUVJXGZSA-N 1 1 292.379 1.784 40 0 CDABMO CNC(=O)C1=NO[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000096074488 185088729 /nfs/dbraw/zinc/08/87/29/185088729.db2.gz NHVISRZKXPIPKP-MRXNPFEDSA-N 1 1 287.363 1.196 40 0 CDABMO c1coc(CN2CCO[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)c1 ZINC000096108160 185100300 /nfs/dbraw/zinc/10/03/00/185100300.db2.gz IWTNQHGNKRCSED-GOEBONIOSA-N 1 1 276.380 1.822 40 0 CDABMO C[C@@H](c1ccccc1)[N@H+]1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC000585103279 342212752 /nfs/dbraw/zinc/21/27/52/342212752.db2.gz ARAHLTJTEMZTKF-WMLDXEAASA-N 1 1 288.391 1.928 40 0 CDABMO O=C(NC1CC1)[C@@H]1C[N@H+](CC2CCC2)Cc2ccnn21 ZINC000247753839 362130477 /nfs/dbraw/zinc/13/04/77/362130477.db2.gz VZROBAOFUVGRCX-AWEZNQCLSA-N 1 1 274.368 1.319 40 0 CDABMO O=C(NC1CC1)[C@@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000247753839 362130484 /nfs/dbraw/zinc/13/04/84/362130484.db2.gz VZROBAOFUVGRCX-AWEZNQCLSA-N 1 1 274.368 1.319 40 0 CDABMO Cc1ccc(C[N@@H+]2CC[C@H]([NH+](C)C)C[C@H]2C(=O)[O-])cc1 ZINC000107214428 186163631 /nfs/dbraw/zinc/16/36/31/186163631.db2.gz HQRWHMJJEVALCL-GJZGRUSLSA-N 1 1 276.380 1.974 40 0 CDABMO CC[NH+](CC)CCS(=O)(=O)c1ccc(N)cc1 ZINC000001686921 355947964 /nfs/dbraw/zinc/94/79/64/355947964.db2.gz IIOQCVKROWUJNB-UHFFFAOYSA-N 1 1 256.371 1.384 40 0 CDABMO CC(C)N(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404243 356989122 /nfs/dbraw/zinc/98/91/22/356989122.db2.gz DTFUMUUQHRXSHW-MRXNPFEDSA-N 1 1 289.423 1.847 40 0 CDABMO CC(C)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)CN ZINC000079404243 356989126 /nfs/dbraw/zinc/98/91/26/356989126.db2.gz DTFUMUUQHRXSHW-MRXNPFEDSA-N 1 1 289.423 1.847 40 0 CDABMO C[NH+](C)CC(=O)Nc1cnccc1OC(C)(C)C ZINC000135218729 357791095 /nfs/dbraw/zinc/79/10/95/357791095.db2.gz TVHYCRREZPHZBR-UHFFFAOYSA-N 1 1 251.330 1.759 40 0 CDABMO Nc1ccc(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)[nH+]c1 ZINC000206914001 358680853 /nfs/dbraw/zinc/68/08/53/358680853.db2.gz ZKMHHKVIFIUTNI-NWDGAFQWSA-N 1 1 282.347 1.449 40 0 CDABMO CC(C)[N@H+]1CCC[C@]2(CCCN2S(C)(=O)=O)C1 ZINC000096214928 358721506 /nfs/dbraw/zinc/72/15/06/358721506.db2.gz YTQOWJYDRYCGST-LBPRGKRZSA-N 1 1 260.403 1.285 40 0 CDABMO Cc1nnc(C[C@H]2C[C@H]3C[N@@H+](Cc4ccco4)C[C@H]3O2)o1 ZINC000096220033 358721989 /nfs/dbraw/zinc/72/19/89/358721989.db2.gz NLAHVSOBSNFQFN-IACUBPJLSA-N 1 1 289.335 1.803 40 0 CDABMO COCCC[N@H+]1CCCC12CCN(c1ncccn1)CC2 ZINC000096227925 358723816 /nfs/dbraw/zinc/72/38/16/358723816.db2.gz CSVBKHRXLQGMEM-UHFFFAOYSA-N 1 1 290.411 1.948 40 0 CDABMO c1nnc(N2C[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]3C2)s1 ZINC000096246233 358725474 /nfs/dbraw/zinc/72/54/74/358725474.db2.gz OFWHCFDXGDSYQG-NEPJUHHUSA-N 1 1 264.398 1.706 40 0 CDABMO CC(=O)N1C[C@H]2CCC[N@@H+](Cc3cccc(C)n3)[C@H]2C1 ZINC000096246251 358725883 /nfs/dbraw/zinc/72/58/83/358725883.db2.gz NUSHNRVAUSMCED-ZBFHGGJFSA-N 1 1 273.380 1.833 40 0 CDABMO C(c1noc2c1C[N@@H+](C[C@@H]1CCOC1)CC2)N1CCCC1 ZINC000096259729 358729698 /nfs/dbraw/zinc/72/96/98/358729698.db2.gz VEHWFCBHTZNXOD-ZDUSSCGKSA-N 1 1 291.395 1.665 40 0 CDABMO Cc1cc[nH+]c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000286540069 368877023 /nfs/dbraw/zinc/87/70/23/368877023.db2.gz ITNPPAZLPXPDCL-CYBMUJFWSA-N 1 1 297.424 1.498 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@@]1([NH3+])COC ZINC000218585432 373047403 /nfs/dbraw/zinc/04/74/03/373047403.db2.gz DIKLLSFLPFJZPF-XQQFMLRXSA-N 1 1 287.356 1.070 40 0 CDABMO Cc1ccc(OCC[C@@H](O)CN2CC[NH+](C)CC2)cc1C ZINC000028295310 375239694 /nfs/dbraw/zinc/23/96/94/375239694.db2.gz WBYVTDDNZJEJPW-MRXNPFEDSA-N 1 1 292.423 1.681 40 0 CDABMO Cc1cc(C[C@@H]2COCC[N@H+](C3CCOCC3)C2)ncn1 ZINC000257207618 190012498 /nfs/dbraw/zinc/01/24/98/190012498.db2.gz BIMXAPANGKSOSZ-AWEZNQCLSA-N 1 1 291.395 1.455 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N1CCC(c2cnccn2)CC1 ZINC000257243184 190018373 /nfs/dbraw/zinc/01/83/73/190018373.db2.gz IFUVHQCFBVHGQG-UHFFFAOYSA-N 1 1 285.351 1.388 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000257244172 190019232 /nfs/dbraw/zinc/01/92/32/190019232.db2.gz IKEYGMKAMNFZNJ-ZDUSSCGKSA-N 1 1 273.340 1.668 40 0 CDABMO COCC[N@H+]1CCC[C@@H](c2cncc(-c3cn[nH]c3)n2)C1 ZINC000257246733 190019429 /nfs/dbraw/zinc/01/94/29/190019429.db2.gz IVOUOBQUWHWJOZ-GFCCVEGCSA-N 1 1 287.367 1.693 40 0 CDABMO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cnc[nH]1 ZINC000257250779 190020396 /nfs/dbraw/zinc/02/03/96/190020396.db2.gz JNYXUSMPOBVMTE-CQSZACIVSA-N 1 1 272.352 1.565 40 0 CDABMO Cn1nccc1C(=O)N1CCCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257253741 190021176 /nfs/dbraw/zinc/02/11/76/190021176.db2.gz KABLJILTIICQPY-HOCLYGCPSA-N 1 1 290.411 1.899 40 0 CDABMO CCN1CCC([N@H+]2CC[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257331858 190035608 /nfs/dbraw/zinc/03/56/08/190035608.db2.gz XUOQPVZQBYEZEG-ZDUSSCGKSA-N 1 1 262.401 1.992 40 0 CDABMO O=c1ccc2c([nH]1)CC[N@@H+](Cc1nccs1)CC2 ZINC000096067715 285222000 /nfs/dbraw/zinc/22/20/00/285222000.db2.gz BBIRVGWJSBBASD-UHFFFAOYSA-N 1 1 261.350 1.432 40 0 CDABMO O=c1ccc2c([nH]1)CC[N@H+](Cc1nccs1)CC2 ZINC000096067715 285222004 /nfs/dbraw/zinc/22/20/04/285222004.db2.gz BBIRVGWJSBBASD-UHFFFAOYSA-N 1 1 261.350 1.432 40 0 CDABMO CC(C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 ZINC000096111914 393159264 /nfs/dbraw/zinc/15/92/64/393159264.db2.gz XCOJUVASOZALFB-AAEUAGOBSA-N 1 1 260.337 1.893 40 0 biogenic,in-vitro CDABMO CC(C)[N@H+]1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 ZINC000096111914 393159271 /nfs/dbraw/zinc/15/92/71/393159271.db2.gz XCOJUVASOZALFB-AAEUAGOBSA-N 1 1 260.337 1.893 40 0 biogenic,in-vitro CDABMO Cc1ccc(CN(C)C[C@]2(O)CCC[N@@H+](C)C2)o1 ZINC000046087365 175392020 /nfs/dbraw/zinc/39/20/20/175392020.db2.gz CXHZLDMQJPLJRK-AWEZNQCLSA-N 1 1 252.358 1.477 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)COc1cccc(C)c1 ZINC000049460830 175480136 /nfs/dbraw/zinc/48/01/36/175480136.db2.gz KNWKFRKVRXEFQB-UHFFFAOYSA-N 1 1 273.336 1.695 40 0 CDABMO CC(C)C[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000072361112 176377037 /nfs/dbraw/zinc/37/70/37/176377037.db2.gz JHLVOVDNOCGKPH-SNVBAGLBSA-N 1 1 250.346 1.344 40 0 CDABMO C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cnco1 ZINC000257265558 277070870 /nfs/dbraw/zinc/07/08/70/277070870.db2.gz LZEBZQQWJWOOGY-JSGCOSHPSA-N 1 1 263.341 1.764 40 0 CDABMO C[N@H+]1CCC[C@H]1c1ccc(N2CCC(C(N)=O)CC2)cn1 ZINC000257257883 277082603 /nfs/dbraw/zinc/08/26/03/277082603.db2.gz KRMBFJPSEJPCMT-HNNXBMFYSA-N 1 1 288.395 1.550 40 0 CDABMO CC(C)[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C)CC1 ZINC000019445957 279931923 /nfs/dbraw/zinc/93/19/23/279931923.db2.gz ITBZSFSAHKFRKL-AWEZNQCLSA-N 1 1 292.431 1.733 40 0 CDABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(CCO)C[C@@H]12 ZINC000107260334 290252772 /nfs/dbraw/zinc/25/27/72/290252772.db2.gz KTKVBRBKVDEJEQ-HZPDHXFCSA-N 1 1 260.381 1.327 40 0 CDABMO CN1CC[C@]2(c3ccccc3)CC[N@H+](CCO)C[C@@H]12 ZINC000107260334 290252773 /nfs/dbraw/zinc/25/27/73/290252773.db2.gz KTKVBRBKVDEJEQ-HZPDHXFCSA-N 1 1 260.381 1.327 40 0 CDABMO CN1CC[C@]2(c3ccccc3)CC[N@@H+](CCO)C[C@@H]12 ZINC000107260334 290252774 /nfs/dbraw/zinc/25/27/74/290252774.db2.gz KTKVBRBKVDEJEQ-HZPDHXFCSA-N 1 1 260.381 1.327 40 0 CDABMO C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000247354636 524521391 /nfs/dbraw/zinc/52/13/91/524521391.db2.gz HDCYVZHEHHPOQK-VNQPRFMTSA-N 1 1 298.390 1.993 40 0 CDABMO C[N@H+]1CCC[C@@H](Cc2ccc(N3CCOCC3)nn2)C1 ZINC000072386622 536364695 /nfs/dbraw/zinc/36/46/95/536364695.db2.gz BHXBRLRAOWFXIG-ZDUSSCGKSA-N 1 1 276.384 1.198 40 0 CDABMO CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cnn(C)c1)CCO2 ZINC000096051869 185074316 /nfs/dbraw/zinc/07/43/16/185074316.db2.gz FLGXHHAMKILFCC-JKSUJKDBSA-N 1 1 293.411 1.828 40 0 CDABMO CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cnn(C)c1)CCO2 ZINC000096051869 185074317 /nfs/dbraw/zinc/07/43/17/185074317.db2.gz FLGXHHAMKILFCC-JKSUJKDBSA-N 1 1 293.411 1.828 40 0 CDABMO O=c1cc(Cn2ccnc2)nc2n1CCC[N@@H+](CC1CC1)C2 ZINC000096059607 185081446 /nfs/dbraw/zinc/08/14/46/185081446.db2.gz BBBJVQGRYCCFKA-UHFFFAOYSA-N 1 1 299.378 1.104 40 0 CDABMO O=c1cc(Cn2ccnc2)nc2n1CCC[N@H+](CC1CC1)C2 ZINC000096059607 185081447 /nfs/dbraw/zinc/08/14/47/185081447.db2.gz BBBJVQGRYCCFKA-UHFFFAOYSA-N 1 1 299.378 1.104 40 0 CDABMO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21 ZINC000096080552 185091396 /nfs/dbraw/zinc/09/13/96/185091396.db2.gz VGKQIWWCSFBJTP-KGLIPLIRSA-N 1 1 259.353 1.494 40 0 CDABMO COCC[N@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC000096100553 185097694 /nfs/dbraw/zinc/09/76/94/185097694.db2.gz PGFMOSGLPNPCBI-UHFFFAOYSA-N 1 1 292.427 1.374 40 0 CDABMO COCC[N@@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC000096100553 185097695 /nfs/dbraw/zinc/09/76/95/185097695.db2.gz PGFMOSGLPNPCBI-UHFFFAOYSA-N 1 1 292.427 1.374 40 0 CDABMO c1coc(C[N@@H+]2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)c1 ZINC000096108272 185099727 /nfs/dbraw/zinc/09/97/27/185099727.db2.gz IHMDHSMIQXDVSX-ZBFHGGJFSA-N 1 1 292.379 1.060 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1CC(=O)N(C)C ZINC000585276546 342256377 /nfs/dbraw/zinc/25/63/77/342256377.db2.gz PPJNLIIJWJLLDM-HIFRSBDPSA-N 1 1 291.395 1.315 40 0 CDABMO CC(C)[N@@H+]1Cc2ncn(C)c2[C@@H](C(=O)NCC2CCC2)C1 ZINC000248063313 362147867 /nfs/dbraw/zinc/14/78/67/362147867.db2.gz VHFNGSWRUVBBAZ-ZDUSSCGKSA-N 1 1 290.411 1.644 40 0 CDABMO CO[C@@H]1C[N@@H+](Cc2scnc2C)[C@@H]2CCCO[C@H]12 ZINC000107716919 186188593 /nfs/dbraw/zinc/18/85/93/186188593.db2.gz BSNWPJOPLDFQDX-WZRBSPASSA-N 1 1 268.382 1.830 40 0 CDABMO Cc1csc(C[N@H+]2CCC[C@@]3(CCNC3=O)CC2)n1 ZINC000108525629 186220834 /nfs/dbraw/zinc/22/08/34/186220834.db2.gz QDMHAJPFWOMLBX-CQSZACIVSA-N 1 1 279.409 1.944 40 0 CDABMO CC(=O)O[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1OC(C)=O ZINC000097758878 356265577 /nfs/dbraw/zinc/26/55/77/356265577.db2.gz YWOJDZHZPDSFHZ-HUUCEWRRSA-N 1 1 277.320 1.366 40 0 CDABMO CNc1nccnc1[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000072364349 357830628 /nfs/dbraw/zinc/83/06/28/357830628.db2.gz TWNURECLJDDFOV-GFCCVEGCSA-N 1 1 262.357 1.834 40 0 CDABMO CCN(CC)CC[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000022586234 358051390 /nfs/dbraw/zinc/05/13/90/358051390.db2.gz YJANTIPTDHHYNX-UHFFFAOYSA-N 1 1 289.423 1.897 40 0 CDABMO Cn1cc[nH+]c1N1CCN(c2cccc(F)n2)CC1 ZINC000075053109 366419300 /nfs/dbraw/zinc/41/93/00/366419300.db2.gz GAUUGIKVCNQKII-UHFFFAOYSA-N 1 1 261.304 1.281 40 0 CDABMO Cn1cc(CN2CCO[C@@H]3C[N@H+](C4CCC4)C[C@@H]3C2)cn1 ZINC000096209780 358720950 /nfs/dbraw/zinc/72/09/50/358720950.db2.gz IFFSVIXFVPTPSE-GOEBONIOSA-N 1 1 290.411 1.105 40 0 CDABMO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)CCO[C@@H]3C2)cc(C)n1 ZINC000096209927 358721196 /nfs/dbraw/zinc/72/11/96/358721196.db2.gz CFLOXESYCJBFIA-LSDHHAIUSA-N 1 1 289.379 1.101 40 0 CDABMO C[N@@H+]1CCOCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096226205 358723137 /nfs/dbraw/zinc/72/31/37/358723137.db2.gz CQNVXKNQWWZEGT-UHFFFAOYSA-N 1 1 275.352 1.018 40 0 CDABMO C[N@H+]1CCOCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096226205 358723140 /nfs/dbraw/zinc/72/31/40/358723140.db2.gz CQNVXKNQWWZEGT-UHFFFAOYSA-N 1 1 275.352 1.018 40 0 CDABMO Cn1cc(N2C[C@@]3(CC[N@@H+](CC4CC4)C3)CC2=O)cn1 ZINC000096239323 358725131 /nfs/dbraw/zinc/72/51/31/358725131.db2.gz WEOYGRXWWHIMBE-HNNXBMFYSA-N 1 1 274.368 1.259 40 0 CDABMO COc1ncnc2c1CC[N@@H+](Cc1ccc(C)o1)CC2 ZINC000096255559 358728849 /nfs/dbraw/zinc/72/88/49/358728849.db2.gz DJVFPBGRADSNHN-UHFFFAOYSA-N 1 1 273.336 1.987 40 0 CDABMO Cc1ccc(CC(=O)NCCC[NH+]2CCOCC2)c(C)c1 ZINC000223111113 359401855 /nfs/dbraw/zinc/40/18/55/359401855.db2.gz MSLWXVCRFVTIPF-UHFFFAOYSA-N 1 1 290.407 1.684 40 0 CDABMO CC(C)CC[N@@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1C(=O)N2C ZINC000514290374 360126398 /nfs/dbraw/zinc/12/63/98/360126398.db2.gz ZGECPIRXDARPGX-KGLIPLIRSA-N 1 1 289.379 1.645 40 0 biogenic,in-vitro CDABMO Cc1[nH+]ccn1CCCNS(=O)(=O)C1CCCC1 ZINC000223449529 361454285 /nfs/dbraw/zinc/45/42/85/361454285.db2.gz HBNMHXORIASMEE-UHFFFAOYSA-N 1 1 271.386 1.444 40 0 CDABMO Cc1cc(C[N@H+](C)C[C@@H](C)O)ccc1-n1cncn1 ZINC000130685343 369602332 /nfs/dbraw/zinc/60/23/32/369602332.db2.gz ZZQTYDFDSXFAJE-GFCCVEGCSA-N 1 1 260.341 1.388 40 0 CDABMO COc1ccc(Cl)c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000225400011 374286902 /nfs/dbraw/zinc/28/69/02/374286902.db2.gz APDWMRDKELUCHH-QWRGUYRKSA-N 1 1 271.744 1.276 40 0 CDABMO COc1ccc(Cl)c(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000225400011 374286910 /nfs/dbraw/zinc/28/69/10/374286910.db2.gz APDWMRDKELUCHH-QWRGUYRKSA-N 1 1 271.744 1.276 40 0 CDABMO CC[C@@H](C)CC(=O)N1CC[NH+]([C@H](C)COC)CC1 ZINC000225630531 375173788 /nfs/dbraw/zinc/17/37/88/375173788.db2.gz CXUBJDPMHASIPR-CHWSQXEVSA-N 1 1 256.390 1.602 40 0 CDABMO CCn1nccc1C[NH2+]Cc1ccnn1CCF ZINC000256052660 190004410 /nfs/dbraw/zinc/00/44/10/190004410.db2.gz OEYYGCPVPYGIFJ-UHFFFAOYSA-N 1 1 251.309 1.359 40 0 CDABMO Cn1nccc1C[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256053918 190004716 /nfs/dbraw/zinc/00/47/16/190004716.db2.gz UDSDTQUERXUGIT-UHFFFAOYSA-N 1 1 273.262 1.462 40 0 CDABMO C[C@]1(C(N)=O)C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000257243214 190018322 /nfs/dbraw/zinc/01/83/22/190018322.db2.gz IFXLGDGWDQOIRJ-MRXNPFEDSA-N 1 1 285.347 1.311 40 0 CDABMO C[C@]1(C(N)=O)C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000257243214 190018323 /nfs/dbraw/zinc/01/83/23/190018323.db2.gz IFXLGDGWDQOIRJ-MRXNPFEDSA-N 1 1 285.347 1.311 40 0 CDABMO CCNC(=O)c1cnc(C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000257241129 190018349 /nfs/dbraw/zinc/01/83/49/190018349.db2.gz HWRQIIXXWVPGFA-LLVKDONJSA-N 1 1 262.357 1.111 40 0 CDABMO CN(C)C(=O)[C@@H]1CN(Cc2ccsc2)CC[N@@H+](C)C1 ZINC000257275081 190024566 /nfs/dbraw/zinc/02/45/66/190024566.db2.gz NNVKGWFZLBKZTP-ZDUSSCGKSA-N 1 1 281.425 1.200 40 0 CDABMO CN(C)C(=O)[C@H]1CN(C)CC[N@H+](Cc2ccsc2)C1 ZINC000257275081 190024567 /nfs/dbraw/zinc/02/45/67/190024567.db2.gz NNVKGWFZLBKZTP-ZDUSSCGKSA-N 1 1 281.425 1.200 40 0 CDABMO CN(C)C(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccsc2)C1 ZINC000257275081 190024568 /nfs/dbraw/zinc/02/45/68/190024568.db2.gz NNVKGWFZLBKZTP-ZDUSSCGKSA-N 1 1 281.425 1.200 40 0 CDABMO Cn1nccc1-c1ccc(C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000257312620 190031920 /nfs/dbraw/zinc/03/19/20/190031920.db2.gz UOUZSAZBMASKFD-ZDUSSCGKSA-N 1 1 256.353 1.976 40 0 CDABMO C[N@H+]1CCC[C@H](c2ccnc(C(=O)NC3CC3)c2)C1 ZINC000257315183 190032588 /nfs/dbraw/zinc/03/25/88/190032588.db2.gz VAGVCNPAKVRPBT-LBPRGKRZSA-N 1 1 259.353 1.783 40 0 CDABMO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000257321508 190033520 /nfs/dbraw/zinc/03/35/20/190033520.db2.gz WBZDCTSGAILINZ-AWEZNQCLSA-N 1 1 286.383 1.897 40 0 CDABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000257321508 190033521 /nfs/dbraw/zinc/03/35/21/190033521.db2.gz WBZDCTSGAILINZ-AWEZNQCLSA-N 1 1 286.383 1.897 40 0 CDABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(Br)cc1 ZINC000096526000 390540060 /nfs/dbraw/zinc/54/00/60/390540060.db2.gz QJALUGOGYBCIFM-ZJUUUORDSA-N 1 1 269.142 1.680 40 0 CDABMO C[NH+]1CCN(c2ccc([C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000072216536 390621297 /nfs/dbraw/zinc/62/12/97/390621297.db2.gz XRVZVLATRZIVIU-HNNXBMFYSA-N 1 1 274.412 1.990 40 0 CDABMO CN1CCN(c2ccc([C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000072216536 390621299 /nfs/dbraw/zinc/62/12/99/390621299.db2.gz XRVZVLATRZIVIU-HNNXBMFYSA-N 1 1 274.412 1.990 40 0 CDABMO CC[C@H](O)c1c[nH+]c(N2CCN(C(C)=O)CC2)cc1C ZINC000072223733 390624076 /nfs/dbraw/zinc/62/40/76/390624076.db2.gz ZOXHULARUZHTNE-AWEZNQCLSA-N 1 1 277.368 1.502 40 0 CDABMO CN(Cc1cccnc1)C[C@H]1CC[C@]2(C[NH2+]CCOC2)O1 ZINC000096160643 390947570 /nfs/dbraw/zinc/94/75/70/390947570.db2.gz ATCPTTQXVGVUEM-HZPDHXFCSA-N 1 1 291.395 1.051 40 0 CDABMO Cc1ocnc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000332813321 390978585 /nfs/dbraw/zinc/97/85/85/390978585.db2.gz QAOUKPKTNQHFDU-GWCFXTLKSA-N 1 1 280.372 1.465 40 0 CDABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1 ZINC000004223143 391424444 /nfs/dbraw/zinc/42/44/44/391424444.db2.gz AIKBGOLKCFZIGN-BFHYXJOUSA-N 1 1 287.363 1.414 40 0 CDABMO C[N@@H+]1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000077266641 391481647 /nfs/dbraw/zinc/48/16/47/391481647.db2.gz CGCLKXGVBFNAPK-CYBMUJFWSA-N 1 1 263.316 1.377 40 0 biogenic,in-vitro CDABMO C[N@H+]1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000077266641 391481652 /nfs/dbraw/zinc/48/16/52/391481652.db2.gz CGCLKXGVBFNAPK-CYBMUJFWSA-N 1 1 263.316 1.377 40 0 biogenic,in-vitro CDABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O ZINC000242547865 391942924 /nfs/dbraw/zinc/94/29/24/391942924.db2.gz KWYIZCINPHWJAP-ZNMIVQPWSA-N 1 1 297.420 1.493 40 0 CDABMO CCCNc1ncc(CNC[C@H]2CCC[N@@H+]2CC)cn1 ZINC000062718472 392804436 /nfs/dbraw/zinc/80/44/36/392804436.db2.gz SFJORGVBQSDTGK-CQSZACIVSA-N 1 1 277.416 1.872 40 0 CDABMO CCCNc1ncc(CNC[C@H]2CCC[N@H+]2CC)cn1 ZINC000062718472 392804442 /nfs/dbraw/zinc/80/44/42/392804442.db2.gz SFJORGVBQSDTGK-CQSZACIVSA-N 1 1 277.416 1.872 40 0 CDABMO CC(C)N(C(=O)[C@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000022585821 171393148 /nfs/dbraw/zinc/39/31/48/171393148.db2.gz OSMSMJMDMSZFOZ-ZDUSSCGKSA-N 1 1 255.406 1.268 40 0 CDABMO CS(=O)(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035239348 172078301 /nfs/dbraw/zinc/07/83/01/172078301.db2.gz BYWWPFNGWJYIPE-UHFFFAOYSA-N 1 1 299.783 1.849 40 0 CDABMO C[NH+]1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000070244490 175883883 /nfs/dbraw/zinc/88/38/83/175883883.db2.gz UZXQIPOHIICPBI-UHFFFAOYSA-N 1 1 258.365 1.953 40 0 CDABMO OCC[N@H+]1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360934 176376661 /nfs/dbraw/zinc/37/66/61/176376661.db2.gz ZEZYWSFBYKUCPO-CYBMUJFWSA-N 1 1 299.378 1.787 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072369535 176383935 /nfs/dbraw/zinc/38/39/35/176383935.db2.gz IBFLCAOMJIADEL-LBPRGKRZSA-N 1 1 273.340 1.321 40 0 CDABMO Cc1cn[nH]c1[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000072385604 176390235 /nfs/dbraw/zinc/39/02/35/176390235.db2.gz NTUCZJAXXRZHRA-AWEZNQCLSA-N 1 1 290.411 1.766 40 0 CDABMO Nc1ccc(C[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)nn1 ZINC000072387285 176392850 /nfs/dbraw/zinc/39/28/50/176392850.db2.gz YETUVDRDWSAMNR-NSHDSACASA-N 1 1 272.356 1.237 40 0 CDABMO Nc1ccc(C[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)nn1 ZINC000072387285 176392852 /nfs/dbraw/zinc/39/28/52/176392852.db2.gz YETUVDRDWSAMNR-NSHDSACASA-N 1 1 272.356 1.237 40 0 CDABMO Nc1ccc(C[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)nn1 ZINC000072387285 176392853 /nfs/dbraw/zinc/39/28/53/176392853.db2.gz YETUVDRDWSAMNR-NSHDSACASA-N 1 1 272.356 1.237 40 0 CDABMO CNc1ccc([C@H]2C[N@@H+](C3CCOCC3)CCO2)nc1 ZINC000072387996 176393258 /nfs/dbraw/zinc/39/32/58/176393258.db2.gz UQQKSSWDZZYMPP-OAHLLOKOSA-N 1 1 277.368 1.676 40 0 CDABMO CNc1ccc([C@H]2C[N@H+](C3CCOCC3)CCO2)nc1 ZINC000072387996 176393260 /nfs/dbraw/zinc/39/32/60/176393260.db2.gz UQQKSSWDZZYMPP-OAHLLOKOSA-N 1 1 277.368 1.676 40 0 CDABMO CC[N@@H+](CCO)Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392677 176394368 /nfs/dbraw/zinc/39/43/68/176394368.db2.gz QEFYRTXJKLOSKX-UHFFFAOYSA-N 1 1 297.362 1.606 40 0 CDABMO Cc1cc(=O)[nH]c(N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000072397462 176394738 /nfs/dbraw/zinc/39/47/38/176394738.db2.gz YVKFYKPBUNCPHY-UHFFFAOYSA-N 1 1 298.390 1.791 40 0 CDABMO COCCc1noc(C[NH2+][C@](C)(CO)C2CCCCC2)n1 ZINC000077656281 177291773 /nfs/dbraw/zinc/29/17/73/177291773.db2.gz HMAFUSVCGIHUCI-OAHLLOKOSA-N 1 1 297.399 1.679 40 0 CDABMO CCN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079407993 177480698 /nfs/dbraw/zinc/48/06/98/177480698.db2.gz INVANCCBUSPUNE-GFCCVEGCSA-N 1 1 272.389 1.700 40 0 CDABMO COc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1F ZINC000198162443 523694217 /nfs/dbraw/zinc/69/42/17/523694217.db2.gz GMFQXBKYQVTQLB-UHFFFAOYSA-N 1 1 296.342 1.286 40 0 CDABMO COc1ccc([C@H]([NH3+])c2nc(-c3cnccn3)n[nH]2)cc1 ZINC000095533682 185005709 /nfs/dbraw/zinc/00/57/09/185005709.db2.gz JZANUZKZBQJPLP-LBPRGKRZSA-N 1 1 282.307 1.318 40 0 CDABMO O=C1CC[C@@]2(CCC[N@H+](Cc3nccs3)CC2)N1 ZINC000096047444 185073199 /nfs/dbraw/zinc/07/31/99/185073199.db2.gz RQTQITOBCVIHGM-CYBMUJFWSA-N 1 1 265.382 1.778 40 0 CDABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3nccs3)CC2)N1 ZINC000096047444 185073200 /nfs/dbraw/zinc/07/32/00/185073200.db2.gz RQTQITOBCVIHGM-CYBMUJFWSA-N 1 1 265.382 1.778 40 0 CDABMO Cn1cc(N2CC[C@@]3(CCC[N@@H+](CC4CC4)C3)C2=O)cn1 ZINC000096048785 185073224 /nfs/dbraw/zinc/07/32/24/185073224.db2.gz BIFFUCWEONSNEB-MRXNPFEDSA-N 1 1 288.395 1.649 40 0 CDABMO C[N@@H+](Cc1cnccn1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000585182310 342232617 /nfs/dbraw/zinc/23/26/17/342232617.db2.gz SGOQICKQEWNCPH-OAHLLOKOSA-N 1 1 283.379 1.972 40 0 CDABMO CO[C@H]1C[N@@H+](CCC(N)=O)CC[C@@H]1Cc1ccccc1C ZINC000585276579 342256436 /nfs/dbraw/zinc/25/64/36/342256436.db2.gz BLXWANLWUAYTJQ-CVEARBPZSA-N 1 1 290.407 1.750 40 0 CDABMO Cc1ccccc1C[C@H]1CC[N@@H+](CCC(N)=O)C[C@H]1O ZINC000585279813 342257733 /nfs/dbraw/zinc/25/77/33/342257733.db2.gz ZCDJHQMCQTYAHU-HUUCEWRRSA-N 1 1 276.380 1.096 40 0 CDABMO CCN(C1CCN(c2cccc(C)[nH+]2)CC1)S(C)(=O)=O ZINC000157495255 136396213 /nfs/dbraw/zinc/39/62/13/136396213.db2.gz GDDWHSNVGBIOBV-UHFFFAOYSA-N 1 1 297.424 1.640 40 0 CDABMO c1cncc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588934 362439428 /nfs/dbraw/zinc/43/94/28/362439428.db2.gz ZMTYQXUKEAIMMR-IRXDYDNUSA-N 1 1 287.407 1.767 40 0 CDABMO c1coc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588941 362439605 /nfs/dbraw/zinc/43/96/05/362439605.db2.gz ZWTCNAXGRQULHT-GOEBONIOSA-N 1 1 276.380 1.965 40 0 CDABMO Cc1cccc(N2CCC[C@@H](NC(=O)c3ccno3)C2)[nH+]1 ZINC000257284895 362582595 /nfs/dbraw/zinc/58/25/95/362582595.db2.gz PETONFQKMYGXFP-GFCCVEGCSA-N 1 1 286.335 1.777 40 0 CDABMO Nc1c[nH+]ccc1NCCN1CCN(c2ccccc2)CC1 ZINC000001699156 355947949 /nfs/dbraw/zinc/94/79/49/355947949.db2.gz KJFPPRFVILOCAX-UHFFFAOYSA-N 1 1 297.406 1.898 40 0 CDABMO CCOC(=O)C1=C(O)CC[N@H+](C2CCCCC2)C1 ZINC000001871876 355953685 /nfs/dbraw/zinc/95/36/85/355953685.db2.gz BWZZQXMAXGUYQV-LBPRGKRZSA-N 1 1 253.342 1.773 40 0 CDABMO COc1ccc(C[N@H+]2CCc3nc(C)[nH]c(=O)c3C2)cc1 ZINC000012113715 356287408 /nfs/dbraw/zinc/28/74/08/356287408.db2.gz MBVTVZZBIMIPAV-UHFFFAOYSA-N 1 1 285.347 1.645 40 0 CDABMO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082334430 358160690 /nfs/dbraw/zinc/16/06/90/358160690.db2.gz OSZMTRSQMDESOK-LLVKDONJSA-N 1 1 276.336 1.754 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2scnc2C)[C@@H]2CCCO[C@@H]21 ZINC000096187009 358715319 /nfs/dbraw/zinc/71/53/19/358715319.db2.gz BSNWPJOPLDFQDX-MDZLAQPJSA-N 1 1 268.382 1.830 40 0 CDABMO CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096225427 358723345 /nfs/dbraw/zinc/72/33/45/358723345.db2.gz SZNRASBBMYXIQC-HNNXBMFYSA-N 1 1 273.336 1.153 40 0 CDABMO Cc1noc(C)c1C[N@H+]1CCc2ncnc(C)c2CC1 ZINC000096254950 358727848 /nfs/dbraw/zinc/72/78/48/358727848.db2.gz AVBOWMRYXNGZED-UHFFFAOYSA-N 1 1 272.352 1.991 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)COc1ccc(F)cc1 ZINC000049460854 373999572 /nfs/dbraw/zinc/99/95/72/373999572.db2.gz ZUSZQKYCJSVSLX-UHFFFAOYSA-N 1 1 277.299 1.526 40 0 CDABMO c1c[nH]c(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)n1 ZINC000049169716 373982197 /nfs/dbraw/zinc/98/21/97/373982197.db2.gz KSMLSPRGRSBVMU-LBPRGKRZSA-N 1 1 296.334 1.844 40 0 biogenic,in-vitro CDABMO c1c[nH]c(C[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)n1 ZINC000049169716 373982201 /nfs/dbraw/zinc/98/22/01/373982201.db2.gz KSMLSPRGRSBVMU-LBPRGKRZSA-N 1 1 296.334 1.844 40 0 biogenic,in-vitro CDABMO OC[C@@H]1C[C@H](O)C[N@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000225400195 374287648 /nfs/dbraw/zinc/28/76/48/374287648.db2.gz ZGRRBGYRSBKYBW-UWVGGRQHSA-N 1 1 289.734 1.285 40 0 CDABMO C[C@@H](Cc1ccccc1F)[NH2+]Cc1nc(N(C)C)no1 ZINC000225600960 375169679 /nfs/dbraw/zinc/16/96/79/375169679.db2.gz UUQFVMNPBWYSTK-JTQLQIEISA-N 1 1 278.331 1.996 40 0 CDABMO C[NH+]1CCN(C(=O)NC[C@@H]2Cc3ccccc3CO2)CC1 ZINC000225786728 375203089 /nfs/dbraw/zinc/20/30/89/375203089.db2.gz ZDPCMWJJOARQNS-HNNXBMFYSA-N 1 1 289.379 1.085 40 0 CDABMO CC(C)n1nccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000256050483 190002970 /nfs/dbraw/zinc/00/29/70/190002970.db2.gz FENMJPKFEWPGEK-UHFFFAOYSA-N 1 1 265.336 1.920 40 0 CDABMO Cc1cnn(C)c1C[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256050543 190003173 /nfs/dbraw/zinc/00/31/73/190003173.db2.gz FKAYRTJYMRGEIN-UHFFFAOYSA-N 1 1 287.289 1.777 40 0 CDABMO Cc1cn[nH]c1[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000257203549 190011815 /nfs/dbraw/zinc/01/18/15/190011815.db2.gz AQOHHGOIULIGBR-ZDUSSCGKSA-N 1 1 276.384 1.376 40 0 CDABMO Cc1n[nH]cc1C[N@@H+]1CC[C@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257239896 190017554 /nfs/dbraw/zinc/01/75/54/190017554.db2.gz HRHCLDOUXBYMMZ-LBPRGKRZSA-N 1 1 288.399 1.492 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@]12CCCO2 ZINC000257269419 190023765 /nfs/dbraw/zinc/02/37/65/190023765.db2.gz MPWPKFCBCNGMCA-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO Cn1nccc1-c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257280242 190025628 /nfs/dbraw/zinc/02/56/28/190025628.db2.gz OKBABXXUQRVQFK-NSHDSACASA-N 1 1 257.341 1.686 40 0 CDABMO CO[C@@H]1CCC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCCC2)[C@H]1O ZINC000257294446 190028167 /nfs/dbraw/zinc/02/81/67/190028167.db2.gz QUEUREITEVTFSX-IIAWOOMASA-N 1 1 298.427 1.248 40 0 CDABMO Cc1c[nH]c([C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000257297741 190029025 /nfs/dbraw/zinc/02/90/25/190029025.db2.gz RIQNSEWMJKCKDK-CYBMUJFWSA-N 1 1 276.384 1.520 40 0 CDABMO NC(=O)c1cncnc1[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000257308058 190031046 /nfs/dbraw/zinc/03/10/46/190031046.db2.gz TVGGTDHMQRBSBF-CQSZACIVSA-N 1 1 296.374 1.608 40 0 CDABMO C[N@@H+]1CCN(CC(=O)N2CCCC2)C[C@H]1c1ccccc1 ZINC000257342394 190036737 /nfs/dbraw/zinc/03/67/37/190036737.db2.gz ZOJPZOLQHGFGDG-INIZCTEOSA-N 1 1 287.407 1.598 40 0 CDABMO C[N@H+]1CCN(CC(=O)N2CCCC2)C[C@H]1c1ccccc1 ZINC000257342394 190036738 /nfs/dbraw/zinc/03/67/38/190036738.db2.gz ZOJPZOLQHGFGDG-INIZCTEOSA-N 1 1 287.407 1.598 40 0 CDABMO CN(C)C(=O)CO[C@@H]1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000096217938 256825598 /nfs/dbraw/zinc/82/55/98/256825598.db2.gz OJANDBBFDFHIHH-JKSUJKDBSA-N 1 1 290.407 1.654 40 0 CDABMO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@@H+](CC3CC3)C[C@H]1O2 ZINC000096083585 390912811 /nfs/dbraw/zinc/91/28/11/390912811.db2.gz FNOMDZQEMFMHQT-FRRDWIJNSA-N 1 1 252.358 1.010 40 0 CDABMO CN1CC[N@H+](C2CCCCCC2)C[C@@H](C(N)=O)C1 ZINC000257235599 391648386 /nfs/dbraw/zinc/64/83/86/391648386.db2.gz GYNOLDOREJSBJV-LBPRGKRZSA-N 1 1 253.390 1.058 40 0 CDABMO C[N@H+]1CCC[C@H](CNC(=O)NC2CCCCC2)C1 ZINC000009876676 170388522 /nfs/dbraw/zinc/38/85/22/170388522.db2.gz GLNGBFDLKUNTIE-GFCCVEGCSA-N 1 1 253.390 1.960 40 0 CDABMO CC(=O)O[C@@H](C(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000031689388 171643723 /nfs/dbraw/zinc/64/37/23/171643723.db2.gz LDAMOQZLPXJJTF-CQSZACIVSA-N 1 1 276.336 1.065 40 0 CDABMO O=C1NCC[NH2+][C@@H]1Cc1cccc(-c2ccccc2)c1 ZINC000072352879 176374427 /nfs/dbraw/zinc/37/44/27/176374427.db2.gz UHIUCFNEYIDWLL-MRXNPFEDSA-N 1 1 266.344 1.984 40 0 CDABMO CNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1CCc1ccncc1 ZINC000072388615 176393520 /nfs/dbraw/zinc/39/35/20/176393520.db2.gz HEILBNZGUZIRQU-AWEZNQCLSA-N 1 1 299.378 1.544 40 0 CDABMO CNC(=O)c1cn[nH]c1[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000072388615 176393522 /nfs/dbraw/zinc/39/35/22/176393522.db2.gz HEILBNZGUZIRQU-AWEZNQCLSA-N 1 1 299.378 1.544 40 0 CDABMO CNC(=O)c1cn[nH]c1[C@@H]1CCC[N@H+]1CCc1ccncc1 ZINC000072388615 176393523 /nfs/dbraw/zinc/39/35/23/176393523.db2.gz HEILBNZGUZIRQU-AWEZNQCLSA-N 1 1 299.378 1.544 40 0 CDABMO OCCC[N@@H+](CCO)CCOc1ccc(Cl)cc1 ZINC000078594370 177357154 /nfs/dbraw/zinc/35/71/54/177357154.db2.gz ZMPQCORUTZZFFN-UHFFFAOYSA-N 1 1 273.760 1.396 40 0 CDABMO COC(=O)[C@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC000025725485 424585391 /nfs/dbraw/zinc/58/53/91/424585391.db2.gz AORVWDJGVFCGOW-GFCCVEGCSA-N 1 1 251.326 1.907 40 0 CDABMO CCN(C)c1ncnc2c1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000107807406 276079086 /nfs/dbraw/zinc/07/90/86/276079086.db2.gz XQZBOQWPRCJGIQ-CYBMUJFWSA-N 1 1 290.411 1.370 40 0 CDABMO CCOc1ccc2c(c1)c1nc[nH+]c(NN)c1n2C ZINC000408712456 276378071 /nfs/dbraw/zinc/37/80/71/276378071.db2.gz JWYADXNPHAODEO-UHFFFAOYSA-N 1 1 257.297 1.806 40 0 CDABMO COC(=O)[C@@]1([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000088286109 277114598 /nfs/dbraw/zinc/11/45/98/277114598.db2.gz FLVZRFHXSAWGGZ-MWLCHTKSSA-N 1 1 270.126 1.807 40 0 CDABMO CC1(C)CC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000236748866 278281539 /nfs/dbraw/zinc/28/15/39/278281539.db2.gz BZWHNCIKPLWJKH-GJZGRUSLSA-N 1 1 288.391 1.904 40 0 CDABMO C[N@H+]1CCN(C(=O)N2CCSCC2)C(C)(C)C1 ZINC000335067278 290013879 /nfs/dbraw/zinc/01/38/79/290013879.db2.gz ZLFNRFPHYILCHH-UHFFFAOYSA-N 1 1 257.403 1.181 40 0 CDABMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccc(C)o3)C[C@H]21 ZINC000096058279 185078772 /nfs/dbraw/zinc/07/87/72/185078772.db2.gz KDLIBAKFLBXTBH-QLFBSQMISA-N 1 1 292.379 1.561 40 0 CDABMO O[C@@H]1CC[N@@H+](Cc2cccnc2)[C@H]1Cc1cccnc1 ZINC000096061606 185082670 /nfs/dbraw/zinc/08/26/70/185082670.db2.gz ATXROFQFGGILTE-JKSUJKDBSA-N 1 1 269.348 1.655 40 0 CDABMO c1ccc(OC[C@]23COC[C@H]2C[N@H+](C2CCC2)C3)nc1 ZINC000096109060 185099547 /nfs/dbraw/zinc/09/95/47/185099547.db2.gz LTOYUBVJMCLMNT-CJNGLKHVSA-N 1 1 274.364 1.961 40 0 CDABMO CO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(C)on1)C2 ZINC000096107194 185099984 /nfs/dbraw/zinc/09/99/84/185099984.db2.gz NMKMYCUYVSPSIF-KGLIPLIRSA-N 1 1 266.341 1.753 40 0 CDABMO CO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(C)on1)C2 ZINC000096107194 185099985 /nfs/dbraw/zinc/09/99/85/185099985.db2.gz NMKMYCUYVSPSIF-KGLIPLIRSA-N 1 1 266.341 1.753 40 0 CDABMO C[C@@H](C(=O)NCc1ccc(=O)[nH]c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000164241585 361996828 /nfs/dbraw/zinc/99/68/28/361996828.db2.gz XLBGFCDFMSQSGK-TUAOUCFPSA-N 1 1 277.368 1.665 40 0 CDABMO CNC(=O)[C@@]1(C)CCC[N@@H+](CC2(O)CCCCCC2)C1 ZINC000585282296 342258460 /nfs/dbraw/zinc/25/84/60/342258460.db2.gz DBXIRKXUJQJPOC-HNNXBMFYSA-N 1 1 282.428 1.920 40 0 CDABMO CCC[N@H+]1CCO[C@@H]2[C@H](CNC(=O)c3ccco3)CC[C@@H]21 ZINC000247972656 362142868 /nfs/dbraw/zinc/14/28/68/362142868.db2.gz DPKWKMFMBGRXIX-KCQAQPDRSA-N 1 1 292.379 1.899 40 0 CDABMO Cc1cccc(N2CCO[C@H](c3cccc(N)n3)C2)[nH+]1 ZINC000257289405 362584002 /nfs/dbraw/zinc/58/40/02/362584002.db2.gz PYLYDEMDCYXSNX-ZDUSSCGKSA-N 1 1 270.336 1.945 40 0 CDABMO CC(C)NC(=O)C[C@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@@H]12 ZINC000107745857 186188942 /nfs/dbraw/zinc/18/89/42/186188942.db2.gz XFCRGWVJJWVWLG-ZSBIGDGJSA-N 1 1 279.409 1.736 40 0 CDABMO CC(C)NC(=O)C[C@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@@H]12 ZINC000107745857 186188944 /nfs/dbraw/zinc/18/89/44/186188944.db2.gz XFCRGWVJJWVWLG-ZSBIGDGJSA-N 1 1 279.409 1.736 40 0 CDABMO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000108526742 186220444 /nfs/dbraw/zinc/22/04/44/186220444.db2.gz MHJMIALIDAYEGY-GOEBONIOSA-N 1 1 290.411 1.501 40 0 CDABMO CN(C)C1=NC(c2ccccc2)=NS(N(C)C)=[NH+]1 ZINC000016163098 356433338 /nfs/dbraw/zinc/43/33/38/356433338.db2.gz BURWVUWNQRYMOA-UHFFFAOYSA-N 1 1 263.370 1.558 40 0 CDABMO O=C(N[C@@H]1CCC[N@H+](CCO)C1)OCc1ccccc1 ZINC000079410879 356993647 /nfs/dbraw/zinc/99/36/47/356993647.db2.gz MKKLGXKQIBLBPW-CQSZACIVSA-N 1 1 278.352 1.370 40 0 CDABMO CC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079416073 356995621 /nfs/dbraw/zinc/99/56/21/356995621.db2.gz QRRIBLGLNWNCID-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO CC[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000079416073 356995624 /nfs/dbraw/zinc/99/56/24/356995624.db2.gz QRRIBLGLNWNCID-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO CC[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000079416073 356995629 /nfs/dbraw/zinc/99/56/29/356995629.db2.gz QRRIBLGLNWNCID-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO Cc1cc(N2CCOCC2)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072364845 357831092 /nfs/dbraw/zinc/83/10/92/357831092.db2.gz FAUZZLBCIIJCFN-ZDUSSCGKSA-N 1 1 276.384 1.431 40 0 CDABMO CNC(=O)NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076804200 283352940 /nfs/dbraw/zinc/35/29/40/283352940.db2.gz SGOZPEMQYQPRRM-LLVKDONJSA-N 1 1 279.340 1.652 40 0 CDABMO CNC(=O)NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076804200 283352943 /nfs/dbraw/zinc/35/29/43/283352943.db2.gz SGOZPEMQYQPRRM-LLVKDONJSA-N 1 1 279.340 1.652 40 0 CDABMO CS(=O)(=O)N1CCCC[C@]12CCC[N@@H+](CC1CC1)C2 ZINC000096047433 358706085 /nfs/dbraw/zinc/70/60/85/358706085.db2.gz JHPPIUJQKDESQL-CQSZACIVSA-N 1 1 286.441 1.677 40 0 CDABMO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](C3CCCC3)C[C@H]21 ZINC000096043346 358706104 /nfs/dbraw/zinc/70/61/04/358706104.db2.gz LTWLWGDFVPYQSI-OWCLPIDISA-N 1 1 292.423 1.935 40 0 CDABMO COc1ncnc2c1CC[N@@H+](CC1CCOCC1)CC2 ZINC000096058749 358707252 /nfs/dbraw/zinc/70/72/52/358707252.db2.gz LIBBYUFNBOIBGC-UHFFFAOYSA-N 1 1 277.368 1.312 40 0 CDABMO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccsc1 ZINC000096184379 358713554 /nfs/dbraw/zinc/71/35/54/358713554.db2.gz DVFJMZILMAHMKU-KGLIPLIRSA-N 1 1 293.436 1.485 40 0 CDABMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccsc1 ZINC000096184379 358713559 /nfs/dbraw/zinc/71/35/59/358713559.db2.gz DVFJMZILMAHMKU-KGLIPLIRSA-N 1 1 293.436 1.485 40 0 CDABMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccsc1 ZINC000096184379 358713561 /nfs/dbraw/zinc/71/35/61/358713561.db2.gz DVFJMZILMAHMKU-KGLIPLIRSA-N 1 1 293.436 1.485 40 0 CDABMO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(Cc1cccc(C)n1)C2 ZINC000096219372 358721934 /nfs/dbraw/zinc/72/19/34/358721934.db2.gz ZHPUHQNIQFFSMU-DOTOQJQBSA-N 1 1 289.423 1.790 40 0 CDABMO CC(C)c1nnc([C@]23COC[C@H]2C[N@H+](C2CCC2)C3)o1 ZINC000096219412 358722193 /nfs/dbraw/zinc/72/21/93/358722193.db2.gz MUZUKCDZRWIUNH-IAQYHMDHSA-N 1 1 277.368 1.945 40 0 CDABMO CC[N@H+]1CCOC[C@]2(CCCN(Cc3cnn(C)c3)C2)C1 ZINC000096229352 358724145 /nfs/dbraw/zinc/72/41/45/358724145.db2.gz MFGDVESIWVXWKU-MRXNPFEDSA-N 1 1 292.427 1.354 40 0 CDABMO COCCN1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2C1=O ZINC000096244995 358725021 /nfs/dbraw/zinc/72/50/21/358725021.db2.gz JKGQDTKESAKDEG-ZFWWWQNUSA-N 1 1 292.354 1.362 40 0 CDABMO Cn1cc(N2C(=O)C[C@H]3[C@H]2CC[N@H+]3Cc2ccoc2)cn1 ZINC000107251947 359017475 /nfs/dbraw/zinc/01/74/75/359017475.db2.gz GNMMRMBCUUWMHV-KGLIPLIRSA-N 1 1 286.335 1.393 40 0 CDABMO OC[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1CCC2(CCCCC2)O1 ZINC000225528280 359598411 /nfs/dbraw/zinc/59/84/11/359598411.db2.gz ONVICQYWLIWPIY-IHRRRGAJSA-N 1 1 269.385 1.296 40 0 CDABMO CNC(=O)c1ccc(C[N@@H+](C)CC[C@H](C)O)cc1 ZINC000075782312 360463849 /nfs/dbraw/zinc/46/38/49/360463849.db2.gz UDNBUWCORHYSOU-NSHDSACASA-N 1 1 250.342 1.249 40 0 CDABMO CC(C)c1ncncc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000279793609 367140291 /nfs/dbraw/zinc/14/02/91/367140291.db2.gz DLWWRJMDXWWLPL-UHFFFAOYSA-N 1 1 274.368 1.592 40 0 CDABMO CCn1nccc1C[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000119848906 372357146 /nfs/dbraw/zinc/35/71/46/372357146.db2.gz RDVVHMJFIFVFOO-UHFFFAOYSA-N 1 1 287.289 1.945 40 0 CDABMO Cn1cncc1-c1nnc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)o1 ZINC000049170502 373981839 /nfs/dbraw/zinc/98/18/39/373981839.db2.gz BBYLXKMGIXPECX-JTQLQIEISA-N 1 1 299.338 1.183 40 0 biogenic,in-vitro CDABMO Cn1cncc1-c1nnc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)o1 ZINC000049170502 373981843 /nfs/dbraw/zinc/98/18/43/373981843.db2.gz BBYLXKMGIXPECX-JTQLQIEISA-N 1 1 299.338 1.183 40 0 biogenic,in-vitro CDABMO Cc1nn(C)c(F)c1C[NH2+]Cc1ccnn1CCF ZINC000256052712 190004074 /nfs/dbraw/zinc/00/40/74/190004074.db2.gz OIWFOSCKIVYRAZ-UHFFFAOYSA-N 1 1 269.299 1.323 40 0 CDABMO CCc1[nH+]ccn1CC(=O)N1CC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257336140 190036366 /nfs/dbraw/zinc/03/63/66/190036366.db2.gz YNJGMTWQFKMLFM-GFCCVEGCSA-N 1 1 287.367 1.493 40 0 CDABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@H]1CCCCN1C=O ZINC000072219658 390623293 /nfs/dbraw/zinc/62/32/93/390623293.db2.gz KDSVNFJBCSWCEB-OAHLLOKOSA-N 1 1 289.379 1.910 40 0 CDABMO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000225516294 393097491 /nfs/dbraw/zinc/09/74/91/393097491.db2.gz MCBRYWMFVAXSKK-JYJNAYRXSA-N 1 1 266.429 1.977 40 0 CDABMO C[C@@]1(CO)CCC[C@H]1NCC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000104245196 289177328 /nfs/dbraw/zinc/17/73/28/289177328.db2.gz LBNBPYQPTNKLFN-FPCVCCKLSA-N 1 1 284.444 1.268 40 0 CDABMO CC[NH+]1CCN(C(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000006331129 170192351 /nfs/dbraw/zinc/19/23/51/170192351.db2.gz LBWDAMLKIXNBIS-YNEHKIRRSA-N 1 1 267.442 1.687 40 0 CDABMO CCN(CC)CC[NH2+]CC(=O)N1c2ccccc2C[C@H]1C ZINC000022586246 171392910 /nfs/dbraw/zinc/39/29/10/171392910.db2.gz OXNJBNUHZSCFJF-CQSZACIVSA-N 1 1 289.423 1.896 40 0 CDABMO C[NH+]1CCN(C(=O)CCn2ncc3ccccc32)CC1 ZINC000040757945 174396921 /nfs/dbraw/zinc/39/69/21/174396921.db2.gz ULHREXMYLAJGEJ-UHFFFAOYSA-N 1 1 272.352 1.200 40 0 CDABMO COc1cccc(OC[C@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000072367776 176382342 /nfs/dbraw/zinc/38/23/42/176382342.db2.gz XRUUXZPYQSYPGH-LBPRGKRZSA-N 1 1 278.352 1.271 40 0 CDABMO CN(C)CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2 ZINC000257215792 289075678 /nfs/dbraw/zinc/07/56/78/289075678.db2.gz CRRIAJMDBQXWNU-KNCOVGOOSA-N 1 1 279.428 1.412 40 0 CDABMO CCCn1nccc1C(=O)N1CC[NH+](CCC)CC1 ZINC000032611542 482508344 /nfs/dbraw/zinc/50/83/44/482508344.db2.gz ANDBHBLVDGWFQK-UHFFFAOYSA-N 1 1 264.373 1.461 40 0 CDABMO COc1c2c(cc3c1C[N@@H+](C)C[C@@H]3OC(C)=O)OCO2 ZINC000034186231 1165738043 /nfs/dbraw/zinc/73/80/43/1165738043.db2.gz LKXAWIFFHGGBRM-LBPRGKRZSA-N 1 1 279.292 1.474 40 0 CDABMO c1cncc(COC[C@H]2[NH2+]CCc3c2nnn3CC2CC2)c1 ZINC000096045420 185071275 /nfs/dbraw/zinc/07/12/75/185071275.db2.gz ITDQVOKEYCGKND-CQSZACIVSA-N 1 1 299.378 1.487 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cn1 ZINC000096046322 185071407 /nfs/dbraw/zinc/07/14/07/185071407.db2.gz LKAADIPSCZBPSH-CWRNSKLLSA-N 1 1 299.378 1.562 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cn1 ZINC000096046322 185071408 /nfs/dbraw/zinc/07/14/08/185071408.db2.gz LKAADIPSCZBPSH-CWRNSKLLSA-N 1 1 299.378 1.562 40 0 CDABMO COCCN1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1=O ZINC000096054619 185075692 /nfs/dbraw/zinc/07/56/92/185075692.db2.gz SDYQUVCRJCEOOZ-GJZGRUSLSA-N 1 1 289.379 1.008 40 0 CDABMO O=C1C[C@@H]2[C@H](CC[N@H+]2CC2CC2)N1c1cccnc1 ZINC000096055716 185076085 /nfs/dbraw/zinc/07/60/85/185076085.db2.gz HWILEYONNZXXKR-UONOGXRCSA-N 1 1 257.337 1.671 40 0 CDABMO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053807 185076554 /nfs/dbraw/zinc/07/65/54/185076554.db2.gz XMBFHTKSEWIBNU-OKILXGFUSA-N 1 1 297.358 1.879 40 0 CDABMO COC[C@H]1C[N@H+](Cc2ccncc2)Cc2cn(C)nc21 ZINC000096059819 185080617 /nfs/dbraw/zinc/08/06/17/185080617.db2.gz DAIUYAHHLCDWQJ-CQSZACIVSA-N 1 1 272.352 1.561 40 0 CDABMO COC[C@H]1C[N@@H+](Cc2ccncc2)Cc2cn(C)nc21 ZINC000096059819 185080619 /nfs/dbraw/zinc/08/06/19/185080619.db2.gz DAIUYAHHLCDWQJ-CQSZACIVSA-N 1 1 272.352 1.561 40 0 CDABMO O[C@@H]1CC[N@@H+](CC2CCOCC2)[C@H]1Cc1cccnc1 ZINC000096061609 185082398 /nfs/dbraw/zinc/08/23/98/185082398.db2.gz ONAKSKKLQIRCJG-JKSUJKDBSA-N 1 1 276.380 1.486 40 0 CDABMO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)s1 ZINC000096061617 185082979 /nfs/dbraw/zinc/08/29/79/185082979.db2.gz FGWZOGCOKOMNKY-LSDHHAIUSA-N 1 1 291.420 1.968 40 0 CDABMO Cn1cc(C[C@H]2[C@H](O)CC[N@H+]2Cc2ccco2)cn1 ZINC000096061610 185083306 /nfs/dbraw/zinc/08/33/06/185083306.db2.gz IAIWOLJWTJOSSM-UONOGXRCSA-N 1 1 261.325 1.191 40 0 CDABMO Cn1cc(C[N@H+]2C[C@@H](n3cccn3)[C@H]3OCCC[C@H]32)cn1 ZINC000096064544 185084258 /nfs/dbraw/zinc/08/42/58/185084258.db2.gz RIGRZWZWRRERRJ-KFWWJZLASA-N 1 1 287.367 1.221 40 0 CDABMO CCOCC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1ccccn1 ZINC000096064029 185084570 /nfs/dbraw/zinc/08/45/70/185084570.db2.gz VXLFBMKHSFVVRJ-LSDHHAIUSA-N 1 1 289.379 1.293 40 0 CDABMO COCC[N@H+]1CC[C@@]12CCN(C(=O)Cc1ccccc1)C2 ZINC000096075957 185090354 /nfs/dbraw/zinc/09/03/54/185090354.db2.gz YCWBRGAEMFUIOY-QGZVFWFLSA-N 1 1 288.391 1.552 40 0 CDABMO CC(C)[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)c2ccco2)C1 ZINC000096108458 185099614 /nfs/dbraw/zinc/09/96/14/185099614.db2.gz CQGBPROTQMCURN-DOMZBBRYSA-N 1 1 278.352 1.366 40 0 CDABMO COCC[C@H]1Cn2cccc2C[N@H+](Cc2cnn(C)c2)C1 ZINC000585094640 342211270 /nfs/dbraw/zinc/21/12/70/342211270.db2.gz CBWQDSXGKJVLDC-CQSZACIVSA-N 1 1 288.395 1.890 40 0 CDABMO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2cnn(C)c2)C1 ZINC000585094640 342211271 /nfs/dbraw/zinc/21/12/71/342211271.db2.gz CBWQDSXGKJVLDC-CQSZACIVSA-N 1 1 288.395 1.890 40 0 CDABMO C[C@]1(C(N)=O)CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000585263338 342251091 /nfs/dbraw/zinc/25/10/91/342251091.db2.gz WBZUTETWSZVGCM-ZDUSSCGKSA-N 1 1 254.374 1.269 40 0 CDABMO CO[C@]1(COc2ccc(F)cc2)CCC[N@H+](CC(N)=O)C1 ZINC000585274681 342256020 /nfs/dbraw/zinc/25/60/20/342256020.db2.gz LYSULBJGOPOFDO-OAHLLOKOSA-N 1 1 296.342 1.171 40 0 CDABMO CO[C@]1(COc2ccc(F)cc2)CCC[N@@H+](CC(N)=O)C1 ZINC000585274681 342256021 /nfs/dbraw/zinc/25/60/21/342256021.db2.gz LYSULBJGOPOFDO-OAHLLOKOSA-N 1 1 296.342 1.171 40 0 CDABMO CO[C@@]1(CCC(N)=O)CCC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000585277709 342256326 /nfs/dbraw/zinc/25/63/26/342256326.db2.gz XEITYOHVSKFRFU-MRXNPFEDSA-N 1 1 291.395 1.637 40 0 CDABMO CNC(=O)[C@@]1(C)CCC[N@@H+](CC2(O)CCCC2)C1 ZINC000585282584 342258438 /nfs/dbraw/zinc/25/84/38/342258438.db2.gz HMYXWUFXXRPDDO-ZDUSSCGKSA-N 1 1 254.374 1.140 40 0 CDABMO Cc1cccc(N2CCC[C@H](NC(=O)c3cnco3)C2)[nH+]1 ZINC000257262283 362580688 /nfs/dbraw/zinc/58/06/88/362580688.db2.gz LKUUJRUIEWALPV-LBPRGKRZSA-N 1 1 286.335 1.777 40 0 CDABMO N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257283645 362582750 /nfs/dbraw/zinc/58/27/50/362582750.db2.gz OZEYFWTZQVDCMQ-WCVJEAGWSA-N 1 1 276.380 1.380 40 0 CDABMO O=C1[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2CN1c1ccccc1 ZINC000107742962 186188788 /nfs/dbraw/zinc/18/87/88/186188788.db2.gz NSADLTMRCYRNED-UKRRQHHQSA-N 1 1 256.349 1.991 40 0 CDABMO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ncccc3C)C[C@@H]21 ZINC000108534121 186222632 /nfs/dbraw/zinc/22/26/32/186222632.db2.gz BPZCLCZGYMBWLD-HOTGVXAUSA-N 1 1 289.379 1.212 40 0 CDABMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000062161070 363033187 /nfs/dbraw/zinc/03/31/87/363033187.db2.gz QZQALMPFBLRJOI-LLVKDONJSA-N 1 1 267.325 1.925 40 0 CDABMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000155699647 188222571 /nfs/dbraw/zinc/22/25/71/188222571.db2.gz PPZULOATDGSXKC-UHFFFAOYSA-N 1 1 293.342 1.318 40 0 CDABMO COCCn1nnnc1[C@H](C(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000012642168 366227393 /nfs/dbraw/zinc/22/73/93/366227393.db2.gz ZMZONOIDJMWUHZ-OLZOCXBDSA-N 1 1 281.404 1.749 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)c1ccnc(N2CCCC2)c1 ZINC000019657437 356494353 /nfs/dbraw/zinc/49/43/53/356494353.db2.gz IPPCZHQEWSHQNE-UHFFFAOYSA-N 1 1 299.378 1.617 40 0 CDABMO C[N@H+]1C[C@@H]2CN(C(=O)CC(C)(C)C)CCN2C(C)(C)C1 ZINC000253400779 283207505 /nfs/dbraw/zinc/20/75/05/283207505.db2.gz LUQPEBRSVPMHSD-CYBMUJFWSA-N 1 1 281.444 1.659 40 0 biogenic,in-vitro CDABMO O=C(CCc1ccccc1F)NCCC[NH+]1CCOCC1 ZINC000060526241 357442632 /nfs/dbraw/zinc/44/26/32/357442632.db2.gz KCHGRJBEKVRKRQ-UHFFFAOYSA-N 1 1 294.370 1.597 40 0 CDABMO CN1CC[NH+](CCCNC(=O)c2cccc(F)c2)CC1 ZINC000061523633 358554215 /nfs/dbraw/zinc/55/42/15/358554215.db2.gz ATLQUXSLQLKDCF-UHFFFAOYSA-N 1 1 279.359 1.193 40 0 CDABMO c1ccc(CN2C[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)nc1 ZINC000096161624 358711079 /nfs/dbraw/zinc/71/10/79/358711079.db2.gz IHUIXLSWVSBMID-GASCZTMLSA-N 1 1 287.407 1.624 40 0 CDABMO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccco2)cn1 ZINC000096184592 358713674 /nfs/dbraw/zinc/71/36/74/358713674.db2.gz WMDUYGRVLMKNGN-JKSUJKDBSA-N 1 1 286.379 1.862 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccco2)cn1 ZINC000096184592 358713679 /nfs/dbraw/zinc/71/36/79/358713679.db2.gz WMDUYGRVLMKNGN-JKSUJKDBSA-N 1 1 286.379 1.862 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccco2)cn1 ZINC000096184592 358713685 /nfs/dbraw/zinc/71/36/85/358713685.db2.gz WMDUYGRVLMKNGN-JKSUJKDBSA-N 1 1 286.379 1.862 40 0 CDABMO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CCOCC2)nc1 ZINC000096184841 358713906 /nfs/dbraw/zinc/71/39/06/358713906.db2.gz XAHJQWYEBOAJGM-CABCVRRESA-N 1 1 288.395 1.556 40 0 CDABMO O=C(C[C@]12COC[C@H]1C[N@H+](C1CCCC1)C2)N1CCCC1 ZINC000096206030 358720213 /nfs/dbraw/zinc/72/02/13/358720213.db2.gz CAHMOPZODFPYOA-PBHICJAKSA-N 1 1 292.423 1.890 40 0 CDABMO CN(C)C(=O)CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096242438 358724832 /nfs/dbraw/zinc/72/48/32/358724832.db2.gz XAEFYGBDQUPMLZ-UHFFFAOYSA-N 1 1 287.407 1.212 40 0 CDABMO C[N@H+]1CCc2c(c(COc3cncnc3)nn2CC2CC2)C1 ZINC000096259837 358729641 /nfs/dbraw/zinc/72/96/41/358729641.db2.gz HMGSUKXZWYUPCV-UHFFFAOYSA-N 1 1 299.378 1.650 40 0 CDABMO C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000059092485 359805441 /nfs/dbraw/zinc/80/54/41/359805441.db2.gz QTXBJJXKGKYVNT-UHFFFAOYSA-N 1 1 267.760 1.526 40 0 CDABMO O=c1[nH][nH]c2c1[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccccc1 ZINC000100483642 364199693 /nfs/dbraw/zinc/19/96/93/364199693.db2.gz BSPOJNBSPUPMFB-YUTCNCBUSA-N 1 1 255.321 1.525 40 0 CDABMO C[N@@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCCCNC1=O ZINC000225596913 374929948 /nfs/dbraw/zinc/92/99/48/374929948.db2.gz WMZNYJLIVXECMH-UONOGXRCSA-N 1 1 268.401 1.528 40 0 CDABMO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccn(C)n3)C2)n1 ZINC000257223099 190014696 /nfs/dbraw/zinc/01/46/96/190014696.db2.gz DVWBAMDSSKXOQO-GFCCVEGCSA-N 1 1 259.357 1.831 40 0 CDABMO Cc1nc([C@@H]2CCCC[NH2+]2)ncc1C(=O)N1CCOCC1 ZINC000257250737 190020140 /nfs/dbraw/zinc/02/01/40/190020140.db2.gz JNVQCLCUMOKHKR-ZDUSSCGKSA-N 1 1 290.367 1.072 40 0 CDABMO Nc1nccnc1C[C@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000257296740 190028522 /nfs/dbraw/zinc/02/85/22/190028522.db2.gz REEUOXIAZBNQFP-GFCCVEGCSA-N 1 1 284.367 1.304 40 0 CDABMO FC(F)(F)CC[N@H+]1CCOC[C@H](Cc2ccncn2)C1 ZINC000257299300 190029400 /nfs/dbraw/zinc/02/94/00/190029400.db2.gz RPMLCZHINJPPGJ-LLVKDONJSA-N 1 1 289.301 1.920 40 0 CDABMO Nc1nc2nc([C@@H]3CCCC[N@H+]3CCO)ccc2s1 ZINC000257329727 190034734 /nfs/dbraw/zinc/03/47/34/190034734.db2.gz XLGDTUAKGCVVPH-JTQLQIEISA-N 1 1 278.381 1.793 40 0 CDABMO Cc1cc([C@H]2C[N@H+](CC3CCOCC3)CCO2)nc(C)n1 ZINC000257330176 190035142 /nfs/dbraw/zinc/03/51/42/190035142.db2.gz XNFDRZHOUNIIAO-MRXNPFEDSA-N 1 1 291.395 1.893 40 0 CDABMO Cc1cc([C@H]2C[N@@H+](CC3CCOCC3)CCO2)nc(C)n1 ZINC000257330176 190035143 /nfs/dbraw/zinc/03/51/43/190035143.db2.gz XNFDRZHOUNIIAO-MRXNPFEDSA-N 1 1 291.395 1.893 40 0 CDABMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H](O)CC(F)(F)F)CN1 ZINC000330945260 376359990 /nfs/dbraw/zinc/35/99/90/376359990.db2.gz GVYVJCWIBVRNTI-DCAQKATOSA-N 1 1 294.317 1.290 40 0 CDABMO OC[C@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2C[C@@H](O)C1 ZINC000005664244 285293900 /nfs/dbraw/zinc/29/39/00/285293900.db2.gz PWWVJGCOINBXJP-WQGACYEGSA-N 1 1 286.375 1.830 40 0 CDABMO OC[C@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N@H+]2C[C@@H](O)C1 ZINC000005664244 285293904 /nfs/dbraw/zinc/29/39/04/285293904.db2.gz PWWVJGCOINBXJP-WQGACYEGSA-N 1 1 286.375 1.830 40 0 CDABMO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]21 ZINC000096249491 256834737 /nfs/dbraw/zinc/83/47/37/256834737.db2.gz JEBNGVPJHDYRET-LSDHHAIUSA-N 1 1 277.368 1.226 40 0 CDABMO Cc1cc(=O)[nH]c([C@H]2C[N@@H+](C3CCCC3)CCO2)n1 ZINC000257252090 397607236 /nfs/dbraw/zinc/60/72/36/397607236.db2.gz JTNMFTOCGODVBO-GFCCVEGCSA-N 1 1 263.341 1.807 40 0 CDABMO Cc1cc(=O)[nH]c([C@H]2C[N@H+](C3CCCC3)CCO2)n1 ZINC000257252090 397607240 /nfs/dbraw/zinc/60/72/40/397607240.db2.gz JTNMFTOCGODVBO-GFCCVEGCSA-N 1 1 263.341 1.807 40 0 CDABMO Cc1cccc(C[N@H+]2CCCN(c3ncccn3)CC2)n1 ZINC000072351145 176374367 /nfs/dbraw/zinc/37/43/67/176374367.db2.gz KNMZCUZUQIWAIR-UHFFFAOYSA-N 1 1 283.379 1.892 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@H](c3cc(CO)[nH]n3)C2)cn1 ZINC000072364265 176378778 /nfs/dbraw/zinc/37/87/78/176378778.db2.gz DWXYLJNPBQLQRD-LBPRGKRZSA-N 1 1 275.356 1.015 40 0 CDABMO Cn1cc(C[N@@H+]2CCC[C@H](c3cc(CO)n[nH]3)C2)cn1 ZINC000072364265 176378780 /nfs/dbraw/zinc/37/87/80/176378780.db2.gz DWXYLJNPBQLQRD-LBPRGKRZSA-N 1 1 275.356 1.015 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@H](c3cc(CO)n[nH]3)C2)cn1 ZINC000072364265 176378781 /nfs/dbraw/zinc/37/87/81/176378781.db2.gz DWXYLJNPBQLQRD-LBPRGKRZSA-N 1 1 275.356 1.015 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@H](c3cc(CCO)n[nH]3)C2)cn1 ZINC000072364267 176378802 /nfs/dbraw/zinc/37/88/02/176378802.db2.gz DKYXCLSYJFZDBL-ZDUSSCGKSA-N 1 1 289.383 1.058 40 0 CDABMO Cn1cc(C[N@@H+]2CCC[C@H](c3cc(CCO)[nH]n3)C2)cn1 ZINC000072364267 176378804 /nfs/dbraw/zinc/37/88/04/176378804.db2.gz DKYXCLSYJFZDBL-ZDUSSCGKSA-N 1 1 289.383 1.058 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@H](c3cc(CCO)[nH]n3)C2)cn1 ZINC000072364267 176378806 /nfs/dbraw/zinc/37/88/06/176378806.db2.gz DKYXCLSYJFZDBL-ZDUSSCGKSA-N 1 1 289.383 1.058 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc2cccnc21 ZINC000072397595 176394758 /nfs/dbraw/zinc/39/47/58/176394758.db2.gz QOLXLKGUIRIETM-RRQGHBQHSA-N 1 1 297.402 1.874 40 0 CDABMO CO[C@H]1C=CC2=CC[N@H+]3CCC4=C(CC(=O)OC4)[C@@]23C1 ZINC000078193503 277335158 /nfs/dbraw/zinc/33/51/58/277335158.db2.gz PXWINCSLFXUWBZ-XJKSGUPXSA-N 1 1 273.332 1.589 40 0 CDABMO Cc1ncsc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000682556430 483285336 /nfs/dbraw/zinc/28/53/36/483285336.db2.gz JBNZVESHSFILGY-NHCYSSNCSA-N 1 1 265.382 1.537 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042741 185070726 /nfs/dbraw/zinc/07/07/26/185070726.db2.gz LYZDRGHEPSSPRN-YNEHKIRRSA-N 1 1 264.325 1.005 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042741 185070728 /nfs/dbraw/zinc/07/07/28/185070728.db2.gz LYZDRGHEPSSPRN-YNEHKIRRSA-N 1 1 264.325 1.005 40 0 CDABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1cnccn1 ZINC000096055784 185075958 /nfs/dbraw/zinc/07/59/58/185075958.db2.gz MWPZNCWUCXENPK-UONOGXRCSA-N 1 1 274.368 1.421 40 0 CDABMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccs1 ZINC000096056461 185078084 /nfs/dbraw/zinc/07/80/84/185078084.db2.gz FGANOLKZSUDIOZ-VXGBXAGGSA-N 1 1 250.367 1.943 40 0 CDABMO CCN(C)c1ncnc2c1CC[N@@H+](Cc1ccccn1)CC2 ZINC000096058796 185079495 /nfs/dbraw/zinc/07/94/95/185079495.db2.gz YDCCAFCYPBXLTF-UHFFFAOYSA-N 1 1 297.406 1.929 40 0 CDABMO CCOC[C@@H]1C[N@@H+](C)C2(CN(Cc3cc(C)n[nH]3)C2)C1 ZINC000585093787 342211311 /nfs/dbraw/zinc/21/13/11/342211311.db2.gz GAEXAZQIRSZKHK-ZDUSSCGKSA-N 1 1 278.400 1.261 40 0 CDABMO CCOC[C@@H]1C[N@H+](C)C2(CN(Cc3cc(C)[nH]n3)C2)C1 ZINC000585093787 342211312 /nfs/dbraw/zinc/21/13/12/342211312.db2.gz GAEXAZQIRSZKHK-ZDUSSCGKSA-N 1 1 278.400 1.261 40 0 CDABMO CCOC[C@@H]1C[N@@H+](C)C2(CN(Cc3cc(C)[nH]n3)C2)C1 ZINC000585093787 342211313 /nfs/dbraw/zinc/21/13/13/342211313.db2.gz GAEXAZQIRSZKHK-ZDUSSCGKSA-N 1 1 278.400 1.261 40 0 CDABMO C[N@@H+]1Cc2cccn2C[C@@H](CC(=O)NCC2CC2)C1 ZINC000585099202 342212239 /nfs/dbraw/zinc/21/22/39/342212239.db2.gz UIAICESIJKTZFS-ZDUSSCGKSA-N 1 1 261.369 1.466 40 0 CDABMO C[NH+]1CCN(C(=O)C2(c3ccc(N)cc3)CC2)CC1 ZINC000125942255 187205992 /nfs/dbraw/zinc/20/59/92/187205992.db2.gz XJGSPJCSNGCKDO-UHFFFAOYSA-N 1 1 259.353 1.074 40 0 CDABMO CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)[C@H]1[C@@H]1CCCO1 ZINC000329856618 362073395 /nfs/dbraw/zinc/07/33/95/362073395.db2.gz UWQIHDXGDOXTNC-IHRRRGAJSA-N 1 1 279.384 1.133 40 0 CDABMO Cn1cc(N2CC[C@@H]3C[N@@H+](CC4CC4)C[C@H]3C2=O)cn1 ZINC000248112994 362151310 /nfs/dbraw/zinc/15/13/10/362151310.db2.gz HVSBAXWWJADGDR-TZMCWYRMSA-N 1 1 274.368 1.115 40 0 CDABMO O=C(CN1CCOCC1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253493093 342429799 /nfs/dbraw/zinc/42/97/99/342429799.db2.gz SDSXUQAOBNTGTH-LSDHHAIUSA-N 1 1 296.411 1.126 40 0 CDABMO Cc1cc(Cl)ccc1C[N@@H+]1CCNC(=O)CC1 ZINC000136188076 362319057 /nfs/dbraw/zinc/31/90/57/362319057.db2.gz UPFLCRZNANGQAP-UHFFFAOYSA-N 1 1 252.745 1.970 40 0 CDABMO Cc1cc(Cl)ccc1C[N@H+]1CCNC(=O)CC1 ZINC000136188076 362319070 /nfs/dbraw/zinc/31/90/70/362319070.db2.gz UPFLCRZNANGQAP-UHFFFAOYSA-N 1 1 252.745 1.970 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)[C@H]1COc2ccccc2O1 ZINC000052192750 362480645 /nfs/dbraw/zinc/48/06/45/362480645.db2.gz ONYAJAVWYAMBPM-CQSZACIVSA-N 1 1 287.319 1.148 40 0 CDABMO CNC(=O)[C@H]1CN(C)CC[N@@H+](CC2CCCCC2)C1 ZINC000257336631 362587123 /nfs/dbraw/zinc/58/71/23/362587123.db2.gz YPHGADXUZNBCRU-AWEZNQCLSA-N 1 1 267.417 1.176 40 0 CDABMO CC(C)NC(=O)[C@H]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC000107254049 186164118 /nfs/dbraw/zinc/16/41/18/186164118.db2.gz WNMRVUNITOKDPL-QKDCVEJESA-N 1 1 290.411 1.403 40 0 CDABMO CC(C)(C)NC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000004400352 363238990 /nfs/dbraw/zinc/23/89/90/363238990.db2.gz WYGILMKJORZQCF-UHFFFAOYSA-N 1 1 290.407 1.885 40 0 CDABMO OCCCn1cc(C[N@H+]2CC[C@@H](CO)C2)c2ccccc21 ZINC000019376123 356483751 /nfs/dbraw/zinc/48/37/51/356483751.db2.gz GCLFNQLFYRTFHJ-CQSZACIVSA-N 1 1 288.391 1.838 40 0 CDABMO Cc1ccn(CCNC(=O)C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000019238130 356478084 /nfs/dbraw/zinc/47/80/84/356478084.db2.gz LFUNINWRGIDLFC-GFCCVEGCSA-N 1 1 264.373 1.040 40 0 CDABMO Cc1nn(C)c(C)c1CCNC(=O)C[C@H]1CCCC[N@H+]1C ZINC000019655677 356494151 /nfs/dbraw/zinc/49/41/51/356494151.db2.gz UVETWUPFHYBGEU-CQSZACIVSA-N 1 1 292.427 1.570 40 0 CDABMO Cc1cc(C)n([C@@H](C)C(=O)N(C)CCn2cc[nH+]c2C)n1 ZINC000019716897 356496989 /nfs/dbraw/zinc/49/69/89/356496989.db2.gz RTJCDJGUDMFKLX-ZDUSSCGKSA-N 1 1 289.383 1.724 40 0 CDABMO CN1CCN(CCC[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000023477136 356643654 /nfs/dbraw/zinc/64/36/54/356643654.db2.gz FNUJFJIIMIYYBY-IYBDPMFKSA-N 1 1 263.429 1.522 40 0 CDABMO CN1CCN(CCC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000023477136 356643660 /nfs/dbraw/zinc/64/36/60/356643660.db2.gz FNUJFJIIMIYYBY-IYBDPMFKSA-N 1 1 263.429 1.522 40 0 CDABMO CCOC(=O)C1=C(O)CC[N@H+](CCc2ccccc2)C1 ZINC000031297844 356762828 /nfs/dbraw/zinc/76/28/28/356762828.db2.gz BHRQUXYWDFJWFB-AWEZNQCLSA-N 1 1 275.348 1.683 40 0 CDABMO CCOC(=O)C1=C(O)CC[N@@H+](CCc2ccccc2)C1 ZINC000031297844 356762831 /nfs/dbraw/zinc/76/28/31/356762831.db2.gz BHRQUXYWDFJWFB-AWEZNQCLSA-N 1 1 275.348 1.683 40 0 CDABMO O=C(NC[C@H]1CC[N@H+](CCO)C1)OCc1ccccc1 ZINC000079410877 356993258 /nfs/dbraw/zinc/99/32/58/356993258.db2.gz QDJUYSXULYHLRU-CQSZACIVSA-N 1 1 278.352 1.227 40 0 CDABMO Cc1cnc(N2CC[N@H+]3C[C@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000096183290 358713212 /nfs/dbraw/zinc/71/32/12/358713212.db2.gz CVACXILMKJJZLE-LSDHHAIUSA-N 1 1 288.395 1.475 40 0 CDABMO CC(C)NC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cnn(C)c1 ZINC000096184635 358714295 /nfs/dbraw/zinc/71/42/95/358714295.db2.gz BYJNPMZIOZJZNE-UONOGXRCSA-N 1 1 291.399 1.187 40 0 CDABMO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccoc2)O1 ZINC000096187252 358715079 /nfs/dbraw/zinc/71/50/79/358715079.db2.gz YYSYXNUCDBMDSS-JHJVBQTASA-N 1 1 264.325 1.148 40 0 CDABMO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H]2Cc2cnn(C)c2)n1 ZINC000096200569 358718422 /nfs/dbraw/zinc/71/84/22/358718422.db2.gz AWAJNYBJOQQHLT-HOTGVXAUSA-N 1 1 286.379 1.301 40 0 CDABMO CN(C)C(=O)C[C@H]1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096207674 358719957 /nfs/dbraw/zinc/71/99/57/358719957.db2.gz NNDWKAJWDHAZII-BFHYXJOUSA-N 1 1 294.420 1.816 40 0 CDABMO COC[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)[N@H+]1C ZINC000096207466 358720503 /nfs/dbraw/zinc/72/05/03/358720503.db2.gz OLRQZFOOZLOHFP-HNNXBMFYSA-N 1 1 292.427 1.495 40 0 CDABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096209883 358721353 /nfs/dbraw/zinc/72/13/53/358721353.db2.gz IPEDRKSMTRBLCH-NVXWUHKLSA-N 1 1 288.391 1.727 40 0 CDABMO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)N1CCCC1)C2 ZINC000096218551 358722121 /nfs/dbraw/zinc/72/21/21/358722121.db2.gz MREFTKDFRFURJV-DZGCQCFKSA-N 1 1 281.400 1.102 40 0 CDABMO COCCN1CC[C@@]2(CCC[N@@H+](Cc3ccoc3)C2)C1=O ZINC000096223955 358723034 /nfs/dbraw/zinc/72/30/34/358723034.db2.gz YKARZTBVCBGXCO-MRXNPFEDSA-N 1 1 292.379 1.741 40 0 CDABMO CC[N@H+]1CCc2cc(C(=O)NC)c(NC(C)C)nc2CC1 ZINC000096260419 358729875 /nfs/dbraw/zinc/72/98/75/358729875.db2.gz VYRHKGSBXWYQPR-UHFFFAOYSA-N 1 1 290.411 1.682 40 0 CDABMO c1cc2n(n1)C[C@H](COCC1CC1)C[N@@H+]([C@H]1CCOC1)C2 ZINC000107210856 359017726 /nfs/dbraw/zinc/01/77/26/359017726.db2.gz YVKSCWZGGJNTKH-ZBFHGGJFSA-N 1 1 291.395 1.530 40 0 CDABMO CC(C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023958208 359270129 /nfs/dbraw/zinc/27/01/29/359270129.db2.gz VLSBWVYIIYRCAU-UHFFFAOYSA-N 1 1 276.380 1.791 40 0 CDABMO COC[C@H](O)C[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000075739676 360161879 /nfs/dbraw/zinc/16/18/79/360161879.db2.gz LNXJUVZPYVUYIE-SECBINFHSA-N 1 1 279.167 1.828 40 0 CDABMO S=C(NCCC[NH+]1CCOCC1)NCc1ccccc1 ZINC000019681791 374772910 /nfs/dbraw/zinc/77/29/10/374772910.db2.gz FGLVUSIMVPBZLH-UHFFFAOYSA-N 1 1 293.436 1.373 40 0 CDABMO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](CC1CC1)C2 ZINC000096111768 375058015 /nfs/dbraw/zinc/05/80/15/375058015.db2.gz PVMMOLYBCVNOQN-AAEUAGOBSA-N 1 1 258.321 1.870 40 0 biogenic,in-vitro CDABMO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](CC1CC1)C2 ZINC000096111768 375058021 /nfs/dbraw/zinc/05/80/21/375058021.db2.gz PVMMOLYBCVNOQN-AAEUAGOBSA-N 1 1 258.321 1.870 40 0 biogenic,in-vitro CDABMO COC(=O)[C@H]1C[C@]2(c3ccccc3NC2=O)[N@H+]2CCC[C@@H]12 ZINC000216298108 375393920 /nfs/dbraw/zinc/39/39/20/375393920.db2.gz GILNPVJKDQWNGY-YNZJMPHRSA-N 1 1 286.331 1.491 40 0 CDABMO COc1ccc([C@H]2C[N@@H+](C)C[C@@H]2CO)cc1OC ZINC000217674324 375703100 /nfs/dbraw/zinc/70/31/00/375703100.db2.gz XHXDOFSAVHGMOV-VXGBXAGGSA-N 1 1 251.326 1.341 40 0 CDABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000257263622 190022708 /nfs/dbraw/zinc/02/27/08/190022708.db2.gz LQTVUADTJBJVMC-ZDUSSCGKSA-N 1 1 279.384 1.439 40 0 CDABMO O[C@H]1C[N@@H+](Cc2cncs2)CC[C@@]12CCCO2 ZINC000257260638 190022769 /nfs/dbraw/zinc/02/27/69/190022769.db2.gz LDRXBXPISOWIRI-RYUDHWBXSA-N 1 1 254.355 1.259 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2cnc(C)nc2)CC[C@@]12CCCO2 ZINC000257279352 190025365 /nfs/dbraw/zinc/02/53/65/190025365.db2.gz OGEZCKVMDRILSB-GJZGRUSLSA-N 1 1 277.368 1.555 40 0 CDABMO CNC(=O)[C@H]1CN(Cc2cc(F)ccc2F)CC[N@@H+](C)C1 ZINC000257310409 190032121 /nfs/dbraw/zinc/03/21/21/190032121.db2.gz UEZAGOAQHMZUOM-GFCCVEGCSA-N 1 1 297.349 1.074 40 0 CDABMO CC[NH+]1CCN(c2c(N)cc(C(=O)OC)cc2Cl)CC1 ZINC000070462678 377035478 /nfs/dbraw/zinc/03/54/78/377035478.db2.gz FFWBDQQVJSTIMD-UHFFFAOYSA-N 1 1 297.786 1.851 40 0 CDABMO CCS(=O)(=O)[C@H](CO)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000096525178 390539622 /nfs/dbraw/zinc/53/96/22/390539622.db2.gz VLANXVUVEXCGFH-GHMZBOCLSA-N 1 1 277.773 1.135 40 0 CDABMO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ncc[nH]1 ZINC000067122815 390569202 /nfs/dbraw/zinc/56/92/02/390569202.db2.gz GRBQNGUKQJVSSA-ZDUSSCGKSA-N 1 1 272.352 1.199 40 0 CDABMO CC(=O)N1CCC[C@@H]1c1c[nH+]c(N2CCOCC2)cc1C ZINC000072219394 390623035 /nfs/dbraw/zinc/62/30/35/390623035.db2.gz CKDJBMNSHODDPJ-OAHLLOKOSA-N 1 1 289.379 1.910 40 0 CDABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccco1 ZINC000072228209 390626707 /nfs/dbraw/zinc/62/67/07/390626707.db2.gz FBBAATKYZJCIJL-OLZOCXBDSA-N 1 1 260.268 1.830 40 0 CDABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000072228148 390626787 /nfs/dbraw/zinc/62/67/87/390626787.db2.gz VMPLZYBGHYRCFN-HZPDHXFCSA-N 1 1 296.326 1.826 40 0 CDABMO Cc1[nH+]ccn1CCN(C)C(=O)c1cn2cccc(C)c2n1 ZINC000019718795 170842883 /nfs/dbraw/zinc/84/28/83/170842883.db2.gz LNOXIBFCNQONHK-UHFFFAOYSA-N 1 1 297.362 1.920 40 0 CDABMO Cc1nc(CCC(N)=O)cc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072366368 176381393 /nfs/dbraw/zinc/38/13/93/176381393.db2.gz VVSIZUPTTOQHOA-CYBMUJFWSA-N 1 1 290.411 1.791 40 0 CDABMO CC(C)N1CC[N@@H+](CCc2ccccc2)C[C@@H]1C(N)=O ZINC000072367721 176382950 /nfs/dbraw/zinc/38/29/50/176382950.db2.gz FITFINWTRXQKFB-OAHLLOKOSA-N 1 1 275.396 1.109 40 0 CDABMO CC[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cn3)C2)C1 ZINC000096229354 276389850 /nfs/dbraw/zinc/38/98/50/276389850.db2.gz AERCGQGONHWSNW-MRXNPFEDSA-N 1 1 290.411 1.724 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096043156 185069896 /nfs/dbraw/zinc/06/98/96/185069896.db2.gz FRXGJRQEYCFMJV-MJBXVCDLSA-N 1 1 278.352 1.347 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096043156 185069897 /nfs/dbraw/zinc/06/98/97/185069897.db2.gz FRXGJRQEYCFMJV-MJBXVCDLSA-N 1 1 278.352 1.347 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nncs2)cn1 ZINC000096055862 185075384 /nfs/dbraw/zinc/07/53/84/185075384.db2.gz YDCNEXYIXSBCIC-NEPJUHHUSA-N 1 1 290.396 1.125 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nncs2)cn1 ZINC000096055862 185075385 /nfs/dbraw/zinc/07/53/85/185075385.db2.gz YDCNEXYIXSBCIC-NEPJUHHUSA-N 1 1 290.396 1.125 40 0 CDABMO COCCN1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1=O ZINC000096054618 185076395 /nfs/dbraw/zinc/07/63/95/185076395.db2.gz DXCKBWJPXDLKPQ-ZFWWWQNUSA-N 1 1 289.379 1.008 40 0 CDABMO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccco1 ZINC000096055803 185076454 /nfs/dbraw/zinc/07/64/54/185076454.db2.gz SFRNZHVBZHFNAE-KGLIPLIRSA-N 1 1 277.368 1.016 40 0 CDABMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccco1 ZINC000096055803 185076455 /nfs/dbraw/zinc/07/64/55/185076455.db2.gz SFRNZHVBZHFNAE-KGLIPLIRSA-N 1 1 277.368 1.016 40 0 CDABMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccco1 ZINC000096055803 185076457 /nfs/dbraw/zinc/07/64/57/185076457.db2.gz SFRNZHVBZHFNAE-KGLIPLIRSA-N 1 1 277.368 1.016 40 0 CDABMO COCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053906 185076833 /nfs/dbraw/zinc/07/68/33/185076833.db2.gz WIDKRHFQVQDGDN-OKILXGFUSA-N 1 1 292.354 1.362 40 0 CDABMO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH]cn1)C2 ZINC000096073420 185088054 /nfs/dbraw/zinc/08/80/54/185088054.db2.gz CIRNHUGSLSPKBC-HIFRSBDPSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH]cn1)C2 ZINC000096073420 185088056 /nfs/dbraw/zinc/08/80/56/185088056.db2.gz CIRNHUGSLSPKBC-HIFRSBDPSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnc[nH]1)C2 ZINC000096073420 185088058 /nfs/dbraw/zinc/08/80/58/185088058.db2.gz CIRNHUGSLSPKBC-HIFRSBDPSA-N 1 1 279.384 1.817 40 0 CDABMO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC000096073420 185088060 /nfs/dbraw/zinc/08/80/60/185088060.db2.gz CIRNHUGSLSPKBC-HIFRSBDPSA-N 1 1 279.384 1.817 40 0 CDABMO CCN1C(=O)C[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(C)n1 ZINC000096081181 185091459 /nfs/dbraw/zinc/09/14/59/185091459.db2.gz MXOBEFGLJUQCRZ-ZIAGYGMSSA-N 1 1 259.353 1.585 40 0 CDABMO F[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112129 185101676 /nfs/dbraw/zinc/10/16/76/185101676.db2.gz ATRDQNVQFAAHNP-RISCZKNCSA-N 1 1 290.342 1.907 40 0 biogenic,in-vitro CDABMO c1cc2n(n1)CC[C@H](COc1ncccn1)[N@H+](C1CCC1)C2 ZINC000585098618 342212013 /nfs/dbraw/zinc/21/20/13/342212013.db2.gz ZRRDJHUDZJGRPM-OAHLLOKOSA-N 1 1 299.378 1.879 40 0 CDABMO C[N@H+]1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104105 342212515 /nfs/dbraw/zinc/21/25/15/342212515.db2.gz JBARUBIYIVRRAO-MRXNPFEDSA-N 1 1 274.364 1.367 40 0 CDABMO CNC(=O)C[C@H]1C[N@H+](CC2CCC2)Cc2ccnn21 ZINC000585112301 342213567 /nfs/dbraw/zinc/21/35/67/342213567.db2.gz OGVSKKIAWHSUGQ-ZDUSSCGKSA-N 1 1 262.357 1.176 40 0 CDABMO CNC(=O)C[C@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000585112301 342213568 /nfs/dbraw/zinc/21/35/68/342213568.db2.gz OGVSKKIAWHSUGQ-ZDUSSCGKSA-N 1 1 262.357 1.176 40 0 CDABMO CN(C)[C@H]1C[N@H+](Cc2ccc(OCCF)cc2)C[C@@H]1O ZINC000585270278 342255634 /nfs/dbraw/zinc/25/56/34/342255634.db2.gz SRKRVRRBOICOJT-GJZGRUSLSA-N 1 1 282.359 1.142 40 0 CDABMO CN(C)[C@H]1C[N@@H+](Cc2ccc(OCCF)cc2)C[C@@H]1O ZINC000585270278 342255635 /nfs/dbraw/zinc/25/56/35/342255635.db2.gz SRKRVRRBOICOJT-GJZGRUSLSA-N 1 1 282.359 1.142 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccc3[nH]ccc3c2)[C@@H]1O ZINC000585290946 342258870 /nfs/dbraw/zinc/25/88/70/342258870.db2.gz JFHJWQXHRWGWLU-OAGGEKHMSA-N 1 1 290.363 1.374 40 0 CDABMO CC(C)c1ccc(C[N@@H+]2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2C)cc1 ZINC000585294736 342260620 /nfs/dbraw/zinc/26/06/20/342260620.db2.gz IQJDTHDDFWZFAT-BJKJVOPESA-N 1 1 279.380 1.097 40 0 CDABMO Cn1cc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)cn1 ZINC000503723230 362302263 /nfs/dbraw/zinc/30/22/63/362302263.db2.gz NCAMOZYNKFWSLB-HOTGVXAUSA-N 1 1 290.411 1.105 40 0 CDABMO CNc1cc(CC[C@H]2CN(c3ncccn3)CCO2)cc[nH+]1 ZINC000257255365 362581447 /nfs/dbraw/zinc/58/14/47/362581447.db2.gz KHECJXAXKNCUQS-AWEZNQCLSA-N 1 1 299.378 1.751 40 0 CDABMO CC(C)[N@@H+](CCO)C[C@@H]1COc2ccccc2O1 ZINC000050103762 355887974 /nfs/dbraw/zinc/88/79/74/355887974.db2.gz PZFNQHKQDFISBZ-GFCCVEGCSA-N 1 1 251.326 1.529 40 0 CDABMO CCc1[nH+]ccn1CC(=O)NC[C@@H](C)n1nc(C)cc1C ZINC000019523523 356489465 /nfs/dbraw/zinc/48/94/65/356489465.db2.gz NALHAGKFGUPMBS-CYBMUJFWSA-N 1 1 289.383 1.636 40 0 CDABMO c1nn2c3ccccc3nc2n1CC[NH+]1CCOCC1 ZINC000019972669 356520830 /nfs/dbraw/zinc/52/08/30/356520830.db2.gz OGQBWPBIPPJEQB-UHFFFAOYSA-N 1 1 271.324 1.016 40 0 CDABMO C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079416041 356995708 /nfs/dbraw/zinc/99/57/08/356995708.db2.gz OTXLUJPDRDTOLU-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO C[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000079416041 356995713 /nfs/dbraw/zinc/99/57/13/356995713.db2.gz OTXLUJPDRDTOLU-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO C[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000079416041 356995715 /nfs/dbraw/zinc/99/57/15/356995715.db2.gz OTXLUJPDRDTOLU-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO C[N@@H+]1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1c1ccccc1 ZINC000062259360 357472165 /nfs/dbraw/zinc/47/21/65/357472165.db2.gz WESJKXWIWXJXJE-OAHLLOKOSA-N 1 1 297.358 1.504 40 0 CDABMO C[N@H+]1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1c1ccccc1 ZINC000062259360 357472170 /nfs/dbraw/zinc/47/21/70/357472170.db2.gz WESJKXWIWXJXJE-OAHLLOKOSA-N 1 1 297.358 1.504 40 0 CDABMO C[C@@H]1CCC[N@@H+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397372 357832413 /nfs/dbraw/zinc/83/24/13/357832413.db2.gz ZVSWVLRLGPVXER-CYBMUJFWSA-N 1 1 276.384 1.545 40 0 CDABMO O=C(c1ccco1)N1CC2(C1)C[C@H](CO)C[N@H+]2CC1CC1 ZINC000585093965 358098836 /nfs/dbraw/zinc/09/88/36/358098836.db2.gz UFBUJTNDLZUMFP-ZDUSSCGKSA-N 1 1 290.363 1.198 40 0 CDABMO COC[C@]12CCCO[C@H]1CC[N@@H+](CC1CCOCC1)C2 ZINC000096056774 358707177 /nfs/dbraw/zinc/70/71/77/358707177.db2.gz VHQFVCVHLZKTKM-JKSUJKDBSA-N 1 1 283.412 1.931 40 0 CDABMO CC[N@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)N3CCCC3)C2)C1 ZINC000096218555 358722239 /nfs/dbraw/zinc/72/22/39/358722239.db2.gz SBPUONZSYKMYOM-GOEBONIOSA-N 1 1 295.427 1.492 40 0 CDABMO COCC[N@H+]1CC[C@H]2CN(C(=O)c3ccco3)CC[C@@H]21 ZINC000096249195 358726350 /nfs/dbraw/zinc/72/63/50/358726350.db2.gz KOUAPVKUYYGZHZ-STQMWFEESA-N 1 1 278.352 1.462 40 0 CDABMO CCOCc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000224407212 359507357 /nfs/dbraw/zinc/50/73/57/359507357.db2.gz JPTVMONEKMWGBQ-UHFFFAOYSA-N 1 1 292.379 1.619 40 0 CDABMO O=C(Cc1ccccc1)N1CC[NH+](CCn2ccnc2)CC1 ZINC000075158013 367944676 /nfs/dbraw/zinc/94/46/76/367944676.db2.gz GNXGYXNDPQLIAA-UHFFFAOYSA-N 1 1 298.390 1.270 40 0 CDABMO COC(=O)CC[N@H+](Cc1nnc(C2CC2)o1)C(C)C ZINC000079100043 374770096 /nfs/dbraw/zinc/77/00/96/374770096.db2.gz GLRLTPYATONEFT-UHFFFAOYSA-N 1 1 267.329 1.721 40 0 CDABMO COC(=O)CC[N@@H+](Cc1nnc(C2CC2)o1)C(C)C ZINC000079100043 374770099 /nfs/dbraw/zinc/77/00/99/374770099.db2.gz GLRLTPYATONEFT-UHFFFAOYSA-N 1 1 267.329 1.721 40 0 CDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)C3CCC3)C2)C1 ZINC000306127132 374967215 /nfs/dbraw/zinc/96/72/15/374967215.db2.gz FPFIGXKVLARIJS-CYBMUJFWSA-N 1 1 280.412 1.746 40 0 CDABMO CCn1cc(C[NH2+]Cc2ccnn2CC(F)(F)F)cn1 ZINC000256054635 190005337 /nfs/dbraw/zinc/00/53/37/190005337.db2.gz XDIWRQVNPFAQMO-UHFFFAOYSA-N 1 1 287.289 1.952 40 0 CDABMO OC1(C[N@H+]2CCC[C@@H]2c2cnccn2)CCOCC1 ZINC000257228973 190016308 /nfs/dbraw/zinc/01/63/08/190016308.db2.gz FWBFTIPMFVBXEK-CYBMUJFWSA-N 1 1 263.341 1.155 40 0 CDABMO CN(C)C(=O)[C@H]1CN(Cc2ccccc2F)CC[N@@H+](C)C1 ZINC000257233278 190016861 /nfs/dbraw/zinc/01/68/61/190016861.db2.gz GOOUWFMSILGMCA-CQSZACIVSA-N 1 1 293.386 1.278 40 0 CDABMO COCC[N@H+]1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257274088 190025086 /nfs/dbraw/zinc/02/50/86/190025086.db2.gz NJMQBNRZOWEXQZ-HUUCEWRRSA-N 1 1 265.353 1.537 40 0 CDABMO CC1(C)C[N@@H+](C[C@H]2CNC(=O)C2)Cc2ccccc21 ZINC000660131854 412946058 /nfs/dbraw/zinc/94/60/58/412946058.db2.gz ODIADRXVZKRDMF-GFCCVEGCSA-N 1 1 258.365 1.916 40 0 CDABMO Cc1cc([C@H](C)[NH3+])cnc1N1CCN(C(C)C)CC1 ZINC000072222670 390623935 /nfs/dbraw/zinc/62/39/35/390623935.db2.gz OPNNINJSSPLLAN-ZDUSSCGKSA-N 1 1 262.401 1.940 40 0 CDABMO COc1ccc([C@@H]([NH3+])c2nc(Cn3cccn3)n[nH]2)cc1 ZINC000095533699 390607040 /nfs/dbraw/zinc/60/70/40/390607040.db2.gz LGTXATPWLSTSNU-CYBMUJFWSA-N 1 1 284.323 1.106 40 0 CDABMO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](C)C3)nc1 ZINC000253600456 391626795 /nfs/dbraw/zinc/62/67/95/391626795.db2.gz NWHHIQKECRESRC-GFCCVEGCSA-N 1 1 262.357 1.308 40 0 CDABMO CC[N@@H+]1CCC[C@@H]1CNCc1cnc(SC)nc1 ZINC000062718339 392804514 /nfs/dbraw/zinc/80/45/14/392804514.db2.gz KXLCRBFJPLWUBR-GFCCVEGCSA-N 1 1 266.414 1.772 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNCc1cnc(SC)nc1 ZINC000062718339 392804523 /nfs/dbraw/zinc/80/45/23/392804523.db2.gz KXLCRBFJPLWUBR-GFCCVEGCSA-N 1 1 266.414 1.772 40 0 CDABMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000056997109 134927603 /nfs/dbraw/zinc/92/76/03/134927603.db2.gz GKVTTZYSOHYNEG-UHFFFAOYSA-N 1 1 273.380 1.335 40 0 CDABMO CC(C)NC(=O)N1CCC(C[N@H+]2CCN(C)C[C@@H]2C)CC1 ZINC000085468295 397611162 /nfs/dbraw/zinc/61/11/62/397611162.db2.gz UWKAPPSLLUOJAH-AWEZNQCLSA-N 1 1 296.459 1.452 40 0 CDABMO COc1ccccc1OC[C@@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020819957 171273634 /nfs/dbraw/zinc/27/36/34/171273634.db2.gz IZIUAPHQUZQLQD-IHRRRGAJSA-N 1 1 295.379 1.544 40 0 CDABMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1C ZINC000071814559 176268711 /nfs/dbraw/zinc/26/87/11/176268711.db2.gz KQSBLBKYFDMSPY-GFCCVEGCSA-N 1 1 264.373 1.932 40 0 CDABMO COc1ccc(NC(=O)[C@]2(C)C[N@H+](C)CCO2)cc1 ZINC000072379309 176385701 /nfs/dbraw/zinc/38/57/01/176385701.db2.gz AZAJXWXKVUIEKZ-AWEZNQCLSA-N 1 1 264.325 1.354 40 0 CDABMO COc1ccc(NC(=O)[C@]2(C)C[N@@H+](C)CCO2)cc1 ZINC000072379309 176385703 /nfs/dbraw/zinc/38/57/03/176385703.db2.gz AZAJXWXKVUIEKZ-AWEZNQCLSA-N 1 1 264.325 1.354 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(F)c1 ZINC000072397568 176394768 /nfs/dbraw/zinc/39/47/68/176394768.db2.gz JGYRAOGEWYUKGQ-NILFDRSVSA-N 1 1 264.344 1.465 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cc(F)ccc1F ZINC000072397613 176395290 /nfs/dbraw/zinc/39/52/90/176395290.db2.gz CXRGNYDKPUQGJC-LEWSCRJBSA-N 1 1 282.334 1.604 40 0 CDABMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCS(C)(=O)=O)C2)cc1 ZINC000076393058 177014125 /nfs/dbraw/zinc/01/41/25/177014125.db2.gz WPLZMBYXNBJWHB-TZMCWYRMSA-N 1 1 297.420 1.918 40 0 CDABMO CC(C)CC[N@H+]1C[C@H]2C[C@@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000248295626 277354951 /nfs/dbraw/zinc/35/49/51/277354951.db2.gz WWOUFUXPKOXBOC-MGPQQGTHSA-N 1 1 268.401 1.646 40 0 CDABMO CCN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCO)C1 ZINC000079407967 279004974 /nfs/dbraw/zinc/00/49/74/279004974.db2.gz ZRDOOJASGDMATQ-NSHDSACASA-N 1 1 258.362 1.310 40 0 CDABMO [NH3+][C@H](c1nc(Cn2cccn2)n[nH]1)c1ccccc1 ZINC000095533428 185006845 /nfs/dbraw/zinc/00/68/45/185006845.db2.gz BKYFGSXQPHXWQX-LBPRGKRZSA-N 1 1 254.297 1.098 40 0 CDABMO COCC[N@@H+]1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000096040699 185069294 /nfs/dbraw/zinc/06/92/94/185069294.db2.gz PEAUNLBXLANUPS-LZWOXQAQSA-N 1 1 291.395 1.619 40 0 CDABMO C[N@@H+]1CCOCC12CCN(Cc1ccco1)CC2 ZINC000096048898 185072454 /nfs/dbraw/zinc/07/24/54/185072454.db2.gz UCESKMJZKLZGAJ-UHFFFAOYSA-N 1 1 250.342 1.576 40 0 CDABMO C[N@H+]1CCOCC12CCN(Cc1ccco1)CC2 ZINC000096048898 185072456 /nfs/dbraw/zinc/07/24/56/185072456.db2.gz UCESKMJZKLZGAJ-UHFFFAOYSA-N 1 1 250.342 1.576 40 0 CDABMO O[C@@H]1CC[N@@H+](Cc2ccccn2)[C@H]1Cc1cccnc1 ZINC000096061605 185082506 /nfs/dbraw/zinc/08/25/06/185082506.db2.gz ZPQHUGZRGSXEFD-JKSUJKDBSA-N 1 1 269.348 1.655 40 0 CDABMO O=C(NCc1cnc2n1CC[N@H+](CC1CC1)C2)C1CC1 ZINC000096061939 185082911 /nfs/dbraw/zinc/08/29/11/185082911.db2.gz YVZPCEOQNWUBTA-UHFFFAOYSA-N 1 1 274.368 1.135 40 0 CDABMO C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096076205 185089543 /nfs/dbraw/zinc/08/95/43/185089543.db2.gz SZWDVKXCGGBVMW-OAHLLOKOSA-N 1 1 294.420 1.933 40 0 CDABMO Cn1cncc1C(=O)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1 ZINC000096075996 185090410 /nfs/dbraw/zinc/09/04/10/185090410.db2.gz UDOLNKHMLFYXSE-OAHLLOKOSA-N 1 1 274.368 1.121 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccco2)C1 ZINC000096083186 185091991 /nfs/dbraw/zinc/09/19/91/185091991.db2.gz KEWBKTAMSBVIMA-IACUBPJLSA-N 1 1 278.352 1.347 40 0 CDABMO CNC(=O)C1=NO[C@@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC000585101310 342212353 /nfs/dbraw/zinc/21/23/53/342212353.db2.gz XGVHRRYUXMAHHM-CQSZACIVSA-N 1 1 267.373 1.389 40 0 CDABMO COCC[N@H+]1CCC[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585268909 342254400 /nfs/dbraw/zinc/25/44/00/342254400.db2.gz DFIVNKXMAFPZKG-INIZCTEOSA-N 1 1 279.380 1.847 40 0 CDABMO CC(C)[N@H+]1C[C@H]2OC[C@@H](CNC(=O)c3cccnc3)[C@H]2C1 ZINC000248026024 362145629 /nfs/dbraw/zinc/14/56/29/362145629.db2.gz WHGMAWRLLNAQHR-RBSFLKMASA-N 1 1 289.379 1.167 40 0 CDABMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccnc2C)C1 ZINC000623743282 345452325 /nfs/dbraw/zinc/45/23/25/345452325.db2.gz OLBQYWDGSMBIID-RISCZKNCSA-N 1 1 276.384 1.529 40 0 CDABMO CC(=O)N1CCC[C@@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC000107282640 186165918 /nfs/dbraw/zinc/16/59/18/186165918.db2.gz OBSBYWZZUYLNOL-CABCVRRESA-N 1 1 266.385 1.357 40 0 CDABMO c1cc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)co1 ZINC000107746635 186189414 /nfs/dbraw/zinc/18/94/14/186189414.db2.gz DEOKXVDOAVQACW-CVEARBPZSA-N 1 1 276.380 1.965 40 0 CDABMO CO[C@H](C)c1cccc(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000157700547 188333661 /nfs/dbraw/zinc/33/36/61/188333661.db2.gz WZWAKYOGBOKTJC-BXKDBHETSA-N 1 1 266.366 1.995 40 0 CDABMO COc1ccc(-c2ncc(C[N@H+]3CC[C@H](CO)C3)cn2)cc1 ZINC000012183006 356290543 /nfs/dbraw/zinc/29/05/43/356290543.db2.gz NZURPCZCYNWCLF-ZDUSSCGKSA-N 1 1 299.374 1.966 40 0 CDABMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404157 356989277 /nfs/dbraw/zinc/98/92/77/356989277.db2.gz KBZJWKHZJFYMLV-HNNXBMFYSA-N 1 1 275.396 1.458 40 0 CDABMO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CN ZINC000079404157 356989281 /nfs/dbraw/zinc/98/92/81/356989281.db2.gz KBZJWKHZJFYMLV-HNNXBMFYSA-N 1 1 275.396 1.458 40 0 CDABMO CC[NH+](CC)CCC[NH2+]Cc1ccc(OCC(=O)[O-])cc1 ZINC000013734631 357278597 /nfs/dbraw/zinc/27/85/97/357278597.db2.gz HXYBWDNFBNXHQP-UHFFFAOYSA-N 1 1 294.395 1.972 40 0 CDABMO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)s1 ZINC000072397660 357832924 /nfs/dbraw/zinc/83/29/24/357832924.db2.gz MUPLHMGBHUJIAM-KGYLQXTDSA-N 1 1 266.410 1.696 40 0 CDABMO Cc1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000027932597 358067514 /nfs/dbraw/zinc/06/75/14/358067514.db2.gz WOFKQVMFAMGTIH-LLVKDONJSA-N 1 1 250.367 1.977 40 0 CDABMO COC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082334429 358160420 /nfs/dbraw/zinc/16/04/20/358160420.db2.gz OSZMTRSQMDESOK-NSHDSACASA-N 1 1 276.336 1.754 40 0 CDABMO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](CC3CCC3)C[C@@H]21 ZINC000096043473 358706229 /nfs/dbraw/zinc/70/62/29/358706229.db2.gz KGBCWRFZCUZIEQ-BZUAXINKSA-N 1 1 292.423 1.792 40 0 CDABMO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](CC2CC2)C1)N1CCCO1 ZINC000096057704 358707165 /nfs/dbraw/zinc/70/71/65/358707165.db2.gz AWVAWLZIBOILHY-BFHYXJOUSA-N 1 1 280.368 1.040 40 0 CDABMO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccncc2)O1 ZINC000096187232 358714951 /nfs/dbraw/zinc/71/49/51/358714951.db2.gz ZUKJJYNLYSQARF-RBSFLKMASA-N 1 1 289.379 1.292 40 0 CDABMO c1cc2n(n1)C[C@H](COCC1CC1)C[N@@H+]([C@@H]1CCOC1)C2 ZINC000096189127 358715059 /nfs/dbraw/zinc/71/50/59/358715059.db2.gz YVKSCWZGGJNTKH-GDBMZVCRSA-N 1 1 291.395 1.530 40 0 CDABMO COCCN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2Cc1cccs1 ZINC000096245823 358725532 /nfs/dbraw/zinc/72/55/32/358725532.db2.gz JDSSYNAJXPJAGA-STQMWFEESA-N 1 1 280.393 1.570 40 0 CDABMO O=C(c1ccco1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000096246058 358725916 /nfs/dbraw/zinc/72/59/16/358725916.db2.gz YDUSOOHFWLWEON-MELADBBJSA-N 1 1 290.363 1.462 40 0 CDABMO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]21 ZINC000096249490 358726882 /nfs/dbraw/zinc/72/68/82/358726882.db2.gz JEBNGVPJHDYRET-GJZGRUSLSA-N 1 1 277.368 1.226 40 0 CDABMO c1cnn(Cc2nnn3c2C[N@@H+](CC2CC2)CCC3)c1 ZINC000096259534 358728943 /nfs/dbraw/zinc/72/89/43/358728943.db2.gz WOSSPOHAPNEUDM-UHFFFAOYSA-N 1 1 272.356 1.139 40 0 CDABMO CNC(=O)[C@H]1CCC[N@H+]1CCOc1ccc(SC)cc1 ZINC000075646557 359295556 /nfs/dbraw/zinc/29/55/56/359295556.db2.gz MYXZOTROURIMRW-CQSZACIVSA-N 1 1 294.420 1.998 40 0 CDABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cnccn1 ZINC000257221148 374421720 /nfs/dbraw/zinc/42/17/20/374421720.db2.gz DNRNGRQDONGAKQ-CQSZACIVSA-N 1 1 298.346 1.272 40 0 CDABMO Cc1cccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cnn(C)c2)n1 ZINC000306138571 374970316 /nfs/dbraw/zinc/97/03/16/374970316.db2.gz SAYGZLGRSMOSSE-JKSUJKDBSA-N 1 1 297.406 1.977 40 0 CDABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306130472 374967328 /nfs/dbraw/zinc/96/73/28/374967328.db2.gz JHKGJFIQZQPKEW-LBPRGKRZSA-N 1 1 250.342 1.623 40 0 CDABMO CC(C)COCC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000225722103 375191479 /nfs/dbraw/zinc/19/14/79/375191479.db2.gz MJDLPRBDNUHYGN-UONOGXRCSA-N 1 1 268.401 1.650 40 0 CDABMO CCN(CC)CC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000256052730 190004094 /nfs/dbraw/zinc/00/40/94/190004094.db2.gz OKPNBPFTVIGMGK-UHFFFAOYSA-N 1 1 252.406 1.971 40 0 CDABMO CCOCCN1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257264573 190023508 /nfs/dbraw/zinc/02/35/08/190023508.db2.gz LVBLQWWWXMEIJB-MRXNPFEDSA-N 1 1 293.411 1.866 40 0 CDABMO CCn1cc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c(C)n1 ZINC000257295744 190028178 /nfs/dbraw/zinc/02/81/78/190028178.db2.gz QZRAUQHULGEAFW-GJZGRUSLSA-N 1 1 279.384 1.327 40 0 CDABMO COCC[N@H+](C)Cc1cncc([C@H]2CCCN2C(C)=O)n1 ZINC000257334617 190036675 /nfs/dbraw/zinc/03/66/75/190036675.db2.gz YGRNKHLDQRSEIM-OAHLLOKOSA-N 1 1 292.383 1.238 40 0 CDABMO COCC[N@@H+](C)Cc1cncc([C@H]2CCCN2C(C)=O)n1 ZINC000257334617 190036676 /nfs/dbraw/zinc/03/66/76/190036676.db2.gz YGRNKHLDQRSEIM-OAHLLOKOSA-N 1 1 292.383 1.238 40 0 CDABMO CC[NH+](CC)C1(Cc2cc(COC)on2)COC1 ZINC000067897945 377285853 /nfs/dbraw/zinc/28/58/53/377285853.db2.gz YVEVUBFPHDOVSB-UHFFFAOYSA-N 1 1 254.330 1.474 40 0 biogenic,in-vitro CDABMO CC(C)N(C(=O)CN)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404235 390421543 /nfs/dbraw/zinc/42/15/43/390421543.db2.gz NMKRVFOOXZLMGU-HNNXBMFYSA-N 1 1 275.396 1.457 40 0 CDABMO CC(C)N(C(=O)CN)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404235 390421546 /nfs/dbraw/zinc/42/15/46/390421546.db2.gz NMKRVFOOXZLMGU-HNNXBMFYSA-N 1 1 275.396 1.457 40 0 CDABMO COC[C@@H]1Cn2ccnc2C[N@@H+](CC2CCOCC2)C1 ZINC000096059105 390912335 /nfs/dbraw/zinc/91/23/35/390912335.db2.gz IVCVEMHAXISAOH-AWEZNQCLSA-N 1 1 279.384 1.388 40 0 CDABMO O=C1NCC[NH2+][C@@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072352873 176374411 /nfs/dbraw/zinc/37/44/11/176374411.db2.gz XUBGLFCIOUSXQS-OAHLLOKOSA-N 1 1 267.332 1.379 40 0 CDABMO Cc1cn[nH]c1[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000072364560 176379358 /nfs/dbraw/zinc/37/93/58/176379358.db2.gz FXRPSZBHCRPICW-ZDUSSCGKSA-N 1 1 276.384 1.723 40 0 CDABMO C[N@H+]1CC[C@@H](C(=O)Nc2cccc(Cn3cccn3)c2)C1 ZINC000072392095 176394200 /nfs/dbraw/zinc/39/42/00/176394200.db2.gz OGZKCFNQQBAPOJ-CQSZACIVSA-N 1 1 284.363 1.822 40 0 CDABMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1CO ZINC000072397543 176394837 /nfs/dbraw/zinc/39/48/37/176394837.db2.gz JQFVYZLHYDTKKA-CJNGLKHVSA-N 1 1 290.407 1.856 40 0 CDABMO COC[C@H](C)[NH+]1CCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000076616604 177043040 /nfs/dbraw/zinc/04/30/40/177043040.db2.gz KRGBNDOIIYIVLA-ZDUSSCGKSA-N 1 1 294.370 1.927 40 0 CDABMO Cn1cc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)c2ccccc21 ZINC000077266765 177247257 /nfs/dbraw/zinc/24/72/57/177247257.db2.gz XHVJXYRASSZMSI-AWEZNQCLSA-N 1 1 298.390 1.730 40 0 biogenic,in-vitro CDABMO CCN(CC)C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000004721590 276105301 /nfs/dbraw/zinc/10/53/01/276105301.db2.gz UHQFQSLVYHDGKB-QLFBSQMISA-N 1 1 254.418 1.811 40 0 CDABMO CCN(CC)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000004721590 276105302 /nfs/dbraw/zinc/10/53/02/276105302.db2.gz UHQFQSLVYHDGKB-QLFBSQMISA-N 1 1 254.418 1.811 40 0 CDABMO CS(=O)(=O)CC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000079311601 278105706 /nfs/dbraw/zinc/10/57/06/278105706.db2.gz JXHBNLPRPVOIJL-HNNXBMFYSA-N 1 1 297.420 1.403 40 0 CDABMO CS(=O)(=O)CC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000079311601 278105707 /nfs/dbraw/zinc/10/57/07/278105707.db2.gz JXHBNLPRPVOIJL-HNNXBMFYSA-N 1 1 297.420 1.403 40 0 CDABMO CC(C)NC(=O)[C@@H]1CC(c2cnc(NC(C)C)nc2)=[NH+]O1 ZINC000226080771 1160425537 /nfs/dbraw/zinc/42/55/37/1160425537.db2.gz FBVIVRGPPAJVOJ-LBPRGKRZSA-N 1 1 291.355 1.315 40 0 CDABMO COC[C@H]1C[N@@H+](CC2CC2)Cc2nnn(CC3CC3)c21 ZINC000096060899 185082195 /nfs/dbraw/zinc/08/21/95/185082195.db2.gz IHZBHVAKGOMUEJ-CYBMUJFWSA-N 1 1 276.384 1.644 40 0 CDABMO C[C@H]1NC(=O)COC12CC[NH+](Cc1nccs1)CC2 ZINC000096062194 185083036 /nfs/dbraw/zinc/08/30/36/185083036.db2.gz XVPZXHQIKSBDLC-SNVBAGLBSA-N 1 1 281.381 1.013 40 0 CDABMO c1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000096073781 185087889 /nfs/dbraw/zinc/08/78/89/185087889.db2.gz HDRKVDSHMOWRFE-GOEBONIOSA-N 1 1 288.395 1.922 40 0 CDABMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCO[C@H](CO)C1 ZINC000221363617 342301916 /nfs/dbraw/zinc/30/19/16/342301916.db2.gz KCTJGCIJPLHBAV-WFASDCNBSA-N 1 1 267.344 1.840 40 0 CDABMO CC(C)n1cc(CN2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)cn1 ZINC000247980275 362142399 /nfs/dbraw/zinc/14/23/99/362142399.db2.gz JGXUTZOEJNXYJA-BZUAXINKSA-N 1 1 292.427 1.472 40 0 CDABMO CCC[N@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccco3)CC[C@H]21 ZINC000247972659 362142683 /nfs/dbraw/zinc/14/26/83/362142683.db2.gz DPKWKMFMBGRXIX-UMVBOHGHSA-N 1 1 292.379 1.899 40 0 CDABMO CC(=O)Nc1ccc(OC[C@H](O)Cn2cc[nH+]c2C)cc1 ZINC000000818231 362369712 /nfs/dbraw/zinc/36/97/12/362369712.db2.gz IYRUSHZUCPTBMQ-CQSZACIVSA-N 1 1 289.335 1.590 40 0 CDABMO CC(=O)N1CC[NH2+][C@H](c2ccc(OC(C)C)cc2)C1 ZINC000216760004 344826657 /nfs/dbraw/zinc/82/66/57/344826657.db2.gz ZXJNMUBHWKJRTO-HNNXBMFYSA-N 1 1 262.353 1.967 40 0 CDABMO Cc1[nH+]ccn1CCCN1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000110697538 186313633 /nfs/dbraw/zinc/31/36/33/186313633.db2.gz HPHQQAUWKWEEQC-OAVHHTNSSA-N 1 1 269.414 1.423 40 0 CDABMO COC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000082334612 358160653 /nfs/dbraw/zinc/16/06/53/358160653.db2.gz RPFCXONKHBFPJG-GFCCVEGCSA-N 1 1 276.336 1.754 40 0 CDABMO CCSC[C@@H](C)[N@@H+](C)Cc1cc(=O)c(O)co1 ZINC000072903191 358744569 /nfs/dbraw/zinc/74/45/69/358744569.db2.gz VOCFJMGBAAGQSY-SECBINFHSA-N 1 1 257.355 1.919 40 0 CDABMO C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)[C@H](c2ccco2)C1 ZINC000072905192 358744950 /nfs/dbraw/zinc/74/49/50/358744950.db2.gz SKYXDKZJKKJLKL-RYUDHWBXSA-N 1 1 291.351 1.604 40 0 CDABMO C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)[C@H](c2ccco2)C1 ZINC000072905192 358744952 /nfs/dbraw/zinc/74/49/52/358744952.db2.gz SKYXDKZJKKJLKL-RYUDHWBXSA-N 1 1 291.351 1.604 40 0 CDABMO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)o1 ZINC000096186225 358714290 /nfs/dbraw/zinc/71/42/90/358714290.db2.gz XEYQBJKHKDYDFV-HUUCEWRRSA-N 1 1 292.379 1.800 40 0 CDABMO CC(C)[N@H+]1C[C@H](N(C)Cc2cncnc2)[C@@H]2OCCC[C@@H]21 ZINC000096186020 358714340 /nfs/dbraw/zinc/71/43/40/358714340.db2.gz QREBMZCTYUAFMH-HRCADAONSA-N 1 1 290.411 1.549 40 0 CDABMO CC[N@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000096217829 358722444 /nfs/dbraw/zinc/72/24/44/358722444.db2.gz VSPVUHDRYIXNMY-DOTOQJQBSA-N 1 1 292.423 1.769 40 0 CDABMO CNC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1F ZINC000049238672 363739720 /nfs/dbraw/zinc/73/97/20/363739720.db2.gz ZDVRYWWIOKPNEJ-GFCCVEGCSA-N 1 1 266.316 1.415 40 0 CDABMO CNC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1F ZINC000049238672 363739730 /nfs/dbraw/zinc/73/97/30/363739730.db2.gz ZDVRYWWIOKPNEJ-GFCCVEGCSA-N 1 1 266.316 1.415 40 0 CDABMO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@@H+](CC2CC2)C1 ZINC000015674220 360727033 /nfs/dbraw/zinc/72/70/33/360727033.db2.gz ZQWVHJYNJYFEGM-YPMHNXCESA-N 1 1 286.335 1.649 40 0 biogenic,in-vitro CDABMO CN1CC[C@@H]([N@H+]2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000075864084 366906579 /nfs/dbraw/zinc/90/65/79/366906579.db2.gz PSLYIYOXMTWNHE-JKSUJKDBSA-N 1 1 288.391 1.756 40 0 CDABMO CCN1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000225406643 374300070 /nfs/dbraw/zinc/30/00/70/374300070.db2.gz WMZPXJDZGQYJMN-USXIJHARSA-N 1 1 276.424 1.910 40 0 CDABMO C[C@@H]1CO[C@H](CO)C[N@H+]1CCCCC1CCOCC1 ZINC000225500460 374561655 /nfs/dbraw/zinc/56/16/55/374561655.db2.gz FJARHYHWFLLGMB-HIFRSBDPSA-N 1 1 271.401 1.665 40 0 CDABMO C[C@H]1CC[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC000225547819 375163337 /nfs/dbraw/zinc/16/33/37/375163337.db2.gz YKKISIMIPRCSNO-IUCAKERBSA-N 1 1 273.270 1.606 40 0 CDABMO Cc1nn(C2CCCC2)cc1CNCC[NH+](C)C ZINC000256050855 190003101 /nfs/dbraw/zinc/00/31/01/190003101.db2.gz GSSZYQKOADIBCL-UHFFFAOYSA-N 1 1 250.390 1.958 40 0 CDABMO Cn1cncc1C[N@H+]1CCOC[C@H](Cc2cccnc2)C1 ZINC000257223195 190015058 /nfs/dbraw/zinc/01/50/58/190015058.db2.gz DWHWNPIVEMAUER-OAHLLOKOSA-N 1 1 286.379 1.506 40 0 CDABMO CNc1cc([C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)ccn1 ZINC000257305630 190031535 /nfs/dbraw/zinc/03/15/35/190031535.db2.gz SQVLUYNQUQHMKC-CYBMUJFWSA-N 1 1 276.384 1.391 40 0 CDABMO Cc1cncc([C@H]2CCC[N@H+]2CC2(O)CCOCC2)n1 ZINC000257293469 190028229 /nfs/dbraw/zinc/02/82/29/190028229.db2.gz QPNRYZFYPDDEMP-CQSZACIVSA-N 1 1 277.368 1.463 40 0 CDABMO Cn1nccc1-c1cncc(C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000257317706 190032486 /nfs/dbraw/zinc/03/24/86/190032486.db2.gz VKVLPGJQNFBMRY-GFCCVEGCSA-N 1 1 271.368 1.761 40 0 CDABMO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257328606 190034713 /nfs/dbraw/zinc/03/47/13/190034713.db2.gz XGKFOGOBGFJWJK-ZDUSSCGKSA-N 1 1 259.357 1.831 40 0 CDABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cncnc1)C2 ZINC000257337785 190036632 /nfs/dbraw/zinc/03/66/32/190036632.db2.gz YUIVLLKGDFPUEQ-AYDFFVQHSA-N 1 1 286.379 1.564 40 0 CDABMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1CCC(F)(F)C1 ZINC000331307052 376911533 /nfs/dbraw/zinc/91/15/33/376911533.db2.gz GGYBGZJRKJKPAE-VXGBXAGGSA-N 1 1 290.354 1.385 40 0 CDABMO Cc1nc(CN2C[C@@H]3C[N@H+](C(C)C)C[C@@H]3C2=O)cs1 ZINC000096245095 256831252 /nfs/dbraw/zinc/83/12/52/256831252.db2.gz IUQGQKAEKWVMFM-AAEUAGOBSA-N 1 1 279.409 1.750 40 0 CDABMO COCC[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1ncccn1 ZINC000096249018 256834411 /nfs/dbraw/zinc/83/44/11/256834411.db2.gz ABFHHAIAUQFXFK-RRFJBIMHSA-N 1 1 290.411 1.883 40 0 CDABMO Cc1cc(N2CCOCC2)ncc1[C@H]1CCC[N@@H+]1C ZINC000072219386 390623182 /nfs/dbraw/zinc/62/31/82/390623182.db2.gz TYMFWOZFOGWORG-CQSZACIVSA-N 1 1 261.369 1.993 40 0 CDABMO CN(C)C(=O)CCc1cccc([C@H]2CCC[N@H+]2C)n1 ZINC000072382833 390627919 /nfs/dbraw/zinc/62/79/19/390627919.db2.gz PEVVCNZKFSDSSE-CQSZACIVSA-N 1 1 261.369 1.869 40 0 CDABMO C[N@H+]1CCCCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096078146 398070333 /nfs/dbraw/zinc/07/03/33/398070333.db2.gz FJFIMJRGXRHIEV-UHFFFAOYSA-N 1 1 272.414 1.429 40 0 CDABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3C)n2)cn1 ZINC000035426246 172194082 /nfs/dbraw/zinc/19/40/82/172194082.db2.gz GBSDIQHKVZSNQX-NSHDSACASA-N 1 1 273.340 1.964 40 0 biogenic,in-vitro CDABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3C)n2)cn1 ZINC000035426246 172194083 /nfs/dbraw/zinc/19/40/83/172194083.db2.gz GBSDIQHKVZSNQX-NSHDSACASA-N 1 1 273.340 1.964 40 0 biogenic,in-vitro CDABMO O=C1NCC[NH2+][C@H]1Cc1ccccc1-c1ccccc1 ZINC000072352856 176374299 /nfs/dbraw/zinc/37/42/99/176374299.db2.gz HEIXYSCWEXVBFJ-INIZCTEOSA-N 1 1 266.344 1.984 40 0 CDABMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072367949 176382712 /nfs/dbraw/zinc/38/27/12/176382712.db2.gz GKSVRZNGHSEMPP-AWEZNQCLSA-N 1 1 261.369 1.820 40 0 CDABMO CN1C(=O)CCC[C@@H]2C[N@H+](Cc3cncs3)CC[C@H]21 ZINC000257280943 277006336 /nfs/dbraw/zinc/00/63/36/277006336.db2.gz ONALAEQQWXWBCP-DGCLKSJQSA-N 1 1 279.409 1.976 40 0 CDABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000082336482 277052967 /nfs/dbraw/zinc/05/29/67/277052967.db2.gz HBGUELWGTQNRHG-LLVKDONJSA-N 1 1 276.336 1.738 40 0 CDABMO COc1c2c(cc3c1C[N@@H+](C)C[C@H]3OC(C)=O)OCO2 ZINC000034186229 1165736950 /nfs/dbraw/zinc/73/69/50/1165736950.db2.gz LKXAWIFFHGGBRM-GFCCVEGCSA-N 1 1 279.292 1.474 40 0 CDABMO C[N@H+]1CC[C@H]2CC(=O)Nc3cccnc3OCC[C@H]2C1 ZINC001534646223 969500213 /nfs/dbraw/zinc/50/02/13/969500213.db2.gz DTPHFQFZBQBLEK-RYUDHWBXSA-N 1 1 275.352 1.761 40 0 CDABMO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095532897 185005094 /nfs/dbraw/zinc/00/50/94/185005094.db2.gz HTTPYTHCALVFES-ANQUJSFKSA-N 1 1 297.439 1.911 40 0 CDABMO COc1ccc([C@@H]([NH3+])c2nc(C)n(C)n2)cc1OC ZINC000095533922 185005912 /nfs/dbraw/zinc/00/59/12/185005912.db2.gz OTFBHHAOVCKLMW-GFCCVEGCSA-N 1 1 262.313 1.189 40 0 CDABMO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000096054295 185075494 /nfs/dbraw/zinc/07/54/94/185075494.db2.gz MMBYQDWSLKKMPI-CABCVRRESA-N 1 1 295.452 1.195 40 0 CDABMO C[C@H]1c2ncc(Cn3cccn3)n2CC[N@H+]1CC1CC1 ZINC000096062071 185083365 /nfs/dbraw/zinc/08/33/65/185083365.db2.gz HNQGEPWSHNTAHX-LBPRGKRZSA-N 1 1 271.368 1.915 40 0 CDABMO C[C@H]1c2ncc(Cn3cccn3)n2CC[N@@H+]1CC1CC1 ZINC000096062071 185083367 /nfs/dbraw/zinc/08/33/67/185083367.db2.gz HNQGEPWSHNTAHX-LBPRGKRZSA-N 1 1 271.368 1.915 40 0 CDABMO c1cncc(CN2C[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096063645 185084339 /nfs/dbraw/zinc/08/43/39/185084339.db2.gz REZKSSXBEYUUCD-IYBDPMFKSA-N 1 1 287.407 1.624 40 0 CDABMO COCCN1CC[C@@H]2C[N@H+](Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096081397 185091453 /nfs/dbraw/zinc/09/14/53/185091453.db2.gz WPLPMEFUFKOSIO-CVEARBPZSA-N 1 1 289.423 1.790 40 0 CDABMO COCCN1CC[C@@H]2C[N@@H+](Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096081397 185091454 /nfs/dbraw/zinc/09/14/54/185091454.db2.gz WPLPMEFUFKOSIO-CVEARBPZSA-N 1 1 289.423 1.790 40 0 CDABMO COCC[N@H+]1CC[C@@H]2CN(Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096081397 185091443 /nfs/dbraw/zinc/09/14/43/185091443.db2.gz WPLPMEFUFKOSIO-CVEARBPZSA-N 1 1 289.423 1.790 40 0 CDABMO C[C@@H]1C(=O)NC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]21 ZINC000096100081 185097585 /nfs/dbraw/zinc/09/75/85/185097585.db2.gz GDCDFWMXQOTJBL-BPUTZDHNSA-N 1 1 288.391 1.517 40 0 CDABMO CC1(C)[C@H](OC[C@@H](O)C[NH+]2CCOCC2)[C@]2(C)CC[C@H]1C2 ZINC000245253856 342157164 /nfs/dbraw/zinc/15/71/64/342157164.db2.gz HTTPYTHCALVFES-QBYUYEEZSA-N 1 1 297.439 1.911 40 0 CDABMO CCOC[C@H]1C[N@@H+](C)C2(CN(Cc3cc(C)n[nH]3)C2)C1 ZINC000585093786 342211442 /nfs/dbraw/zinc/21/14/42/342211442.db2.gz GAEXAZQIRSZKHK-CYBMUJFWSA-N 1 1 278.400 1.261 40 0 CDABMO CCOC[C@H]1C[N@H+](C)C2(CN(Cc3cc(C)[nH]n3)C2)C1 ZINC000585093786 342211443 /nfs/dbraw/zinc/21/14/43/342211443.db2.gz GAEXAZQIRSZKHK-CYBMUJFWSA-N 1 1 278.400 1.261 40 0 CDABMO CCOC[C@H]1C[N@@H+](C)C2(CN(Cc3cc(C)[nH]n3)C2)C1 ZINC000585093786 342211444 /nfs/dbraw/zinc/21/14/44/342211444.db2.gz GAEXAZQIRSZKHK-CYBMUJFWSA-N 1 1 278.400 1.261 40 0 CDABMO CNC(=O)C1=NO[C@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC000585101309 342212367 /nfs/dbraw/zinc/21/23/67/342212367.db2.gz XGVHRRYUXMAHHM-AWEZNQCLSA-N 1 1 267.373 1.389 40 0 CDABMO C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)C1CC(F)(F)C1 ZINC000585102827 342212653 /nfs/dbraw/zinc/21/26/53/342212653.db2.gz JKFGEHBPFORXMK-LLVKDONJSA-N 1 1 288.338 1.259 40 0 CDABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)CC(C)C)C2)C1 ZINC000585103496 342212766 /nfs/dbraw/zinc/21/27/66/342212766.db2.gz XKCGQSMDFNEAQW-AWEZNQCLSA-N 1 1 282.428 1.992 40 0 CDABMO CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccccc1)C2 ZINC000585104455 342212932 /nfs/dbraw/zinc/21/29/32/342212932.db2.gz NLYTUGOKDGZWFN-INIZCTEOSA-N 1 1 274.364 1.367 40 0 CDABMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H](O)CC1CCCC1 ZINC000332939355 539050265 /nfs/dbraw/zinc/05/02/65/539050265.db2.gz JIOGUHRGESVFDD-RDBSUJKOSA-N 1 1 266.385 1.281 40 0 CDABMO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCOCC1 ZINC000585284433 342258584 /nfs/dbraw/zinc/25/85/84/342258584.db2.gz SDIHZQQKRDPDSY-GJZGRUSLSA-N 1 1 296.411 1.003 40 0 CDABMO COCC[N@H+]1CC[C@H]2CN(C(=O)c3ccco3)CC[C@H]21 ZINC000247840093 362135529 /nfs/dbraw/zinc/13/55/29/362135529.db2.gz KOUAPVKUYYGZHZ-QWHCGFSZSA-N 1 1 278.352 1.462 40 0 CDABMO C[N@@H+]1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000248146411 362154443 /nfs/dbraw/zinc/15/44/43/362154443.db2.gz RWSNTIHRLMNBIJ-CYBMUJFWSA-N 1 1 290.392 1.290 40 0 CDABMO CCOC[C@H]1CC[N@H+](C)C2(CN(c3nnc(C)s3)C2)C1 ZINC000248128588 362152437 /nfs/dbraw/zinc/15/24/37/362152437.db2.gz MNEGFXLEYNDEBR-LBPRGKRZSA-N 1 1 296.440 1.784 40 0 CDABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(c3nnc(C)s3)C2)C1 ZINC000248128588 362152442 /nfs/dbraw/zinc/15/24/42/362152442.db2.gz MNEGFXLEYNDEBR-LBPRGKRZSA-N 1 1 296.440 1.784 40 0 CDABMO CC(=O)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000049706881 346356705 /nfs/dbraw/zinc/35/67/05/346356705.db2.gz UMKHJBUHGGCRGL-UHFFFAOYSA-N 1 1 257.337 1.832 40 0 CDABMO CCN1C(=O)C[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000107198268 186162668 /nfs/dbraw/zinc/16/26/68/186162668.db2.gz AVVLUNUVVMBFJA-QWHCGFSZSA-N 1 1 288.347 1.610 40 0 CDABMO O=C(C[C@H]1[C@H]2C[N@H+](CC3CC3)C[C@@H]12)Nc1cccnc1 ZINC000107746025 186189114 /nfs/dbraw/zinc/18/91/14/186189114.db2.gz WYMSLIBPHMTSED-QDMKHBRRSA-N 1 1 271.364 1.998 40 0 CDABMO CCN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(C)n1 ZINC000107799898 186191874 /nfs/dbraw/zinc/19/18/74/186191874.db2.gz MXOBEFGLJUQCRZ-KBPBESRZSA-N 1 1 259.353 1.585 40 0 CDABMO CCn1cc[nH+]c1N1CCN(C(=O)c2cc(C)on2)CC1 ZINC000062007454 362967341 /nfs/dbraw/zinc/96/73/41/362967341.db2.gz RVCJOQPDXJMHLJ-UHFFFAOYSA-N 1 1 289.339 1.162 40 0 CDABMO CNC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000108530012 186222102 /nfs/dbraw/zinc/22/21/02/186222102.db2.gz CJJZFCXGSMEJIR-GDBMZVCRSA-N 1 1 273.380 1.820 40 0 CDABMO CC(C)[N@@H+](CCO)Cc1cccc2c1OCCO2 ZINC000079421372 356996269 /nfs/dbraw/zinc/99/62/69/356996269.db2.gz CKMIDFCXROKNGF-UHFFFAOYSA-N 1 1 251.326 1.661 40 0 CDABMO CCC[C@@H](c1nnnn1CCC(C)C)N1CC[NH+](C)CC1 ZINC000019501895 358096873 /nfs/dbraw/zinc/09/68/73/358096873.db2.gz UHIWKCCKPDSMNJ-AWEZNQCLSA-N 1 1 294.447 1.808 40 0 CDABMO C[N@H+]1C[C@H](CO)CC12CN(C(=O)c1cc(F)cc(F)c1)C2 ZINC000585093949 358098795 /nfs/dbraw/zinc/09/87/95/358098795.db2.gz RRDQIZTZQICJOY-SNVBAGLBSA-N 1 1 296.317 1.103 40 0 CDABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)C1CCOCC1 ZINC000096055794 358707226 /nfs/dbraw/zinc/70/72/26/358707226.db2.gz LHYMIACIDNSJPU-LSDHHAIUSA-N 1 1 280.412 1.744 40 0 CDABMO O=C(C1CC=CC1)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161642 358711120 /nfs/dbraw/zinc/71/11/20/358711120.db2.gz ORKDBDBIKUFWMU-IYBDPMFKSA-N 1 1 297.402 1.938 40 0 CDABMO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccncc2)s1 ZINC000096184883 358713770 /nfs/dbraw/zinc/71/37/70/358713770.db2.gz NRXLMQYSGUEQSV-OLZOCXBDSA-N 1 1 287.392 1.786 40 0 CDABMO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccncc1 ZINC000096186230 358714206 /nfs/dbraw/zinc/71/42/06/358714206.db2.gz NNEINVYXGQOLNC-HUUCEWRRSA-N 1 1 289.379 1.293 40 0 CDABMO CCOC[C@@H]1Cn2nccc2C[N@@H+](C[C@@H]2CCOC2)C1 ZINC000096188950 358714845 /nfs/dbraw/zinc/71/48/45/358714845.db2.gz ZJXQTGUVMVTQJR-KBPBESRZSA-N 1 1 279.384 1.388 40 0 CDABMO CN1CC2(CC[NH+](Cc3nccs3)CC2)C1=O ZINC000096202796 358719518 /nfs/dbraw/zinc/71/95/18/358719518.db2.gz OIGULNWWUULPHS-UHFFFAOYSA-N 1 1 251.355 1.197 40 0 CDABMO COCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1=O ZINC000096244994 358724582 /nfs/dbraw/zinc/72/45/82/358724582.db2.gz CERGVXXYIIVWCP-GJZGRUSLSA-N 1 1 274.364 1.223 40 0 CDABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](CCO)C[C@H]12 ZINC000096251879 358728000 /nfs/dbraw/zinc/72/80/00/358728000.db2.gz XMCNVKJEWLXUPV-DLBZAZTESA-N 1 1 288.391 1.243 40 0 CDABMO O=C(CCc1cn[nH]c1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000630016780 364429860 /nfs/dbraw/zinc/42/98/60/364429860.db2.gz KFLMTFHJHXYKCV-CQSZACIVSA-N 1 1 290.411 1.866 40 0 CDABMO CC[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)NC)CC1 ZINC000075862764 366906666 /nfs/dbraw/zinc/90/66/66/366906666.db2.gz JHNFSKAJUBXRCW-INIZCTEOSA-N 1 1 289.423 1.891 40 0 CDABMO Cc1cccc(-c2n[nH]c(CN3CC[NH2+]CC3)n2)c1 ZINC000064875455 374240197 /nfs/dbraw/zinc/24/01/97/374240197.db2.gz QNOYZKVRWUPATD-UHFFFAOYSA-N 1 1 257.341 1.185 40 0 CDABMO Cc1cccc(-c2nc(CN3CC[NH2+]CC3)n[nH]2)c1 ZINC000064875455 374240199 /nfs/dbraw/zinc/24/01/99/374240199.db2.gz QNOYZKVRWUPATD-UHFFFAOYSA-N 1 1 257.341 1.185 40 0 CDABMO CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CCOC(C)C ZINC000078923068 374742040 /nfs/dbraw/zinc/74/20/40/374742040.db2.gz CXRBGDSSWJNQEN-CYBMUJFWSA-N 1 1 299.415 1.502 40 0 CDABMO COC(=O)c1ccc2c(c1)OCC[C@]21COCC[NH2+]1 ZINC000306145821 374972240 /nfs/dbraw/zinc/97/22/40/374972240.db2.gz RMSGHEBLLLDAQJ-AWEZNQCLSA-N 1 1 263.293 1.071 40 0 CDABMO Cc1ccc(C[N@H+](CCO)CCN2CCO[C@H](C)C2)o1 ZINC000225724302 375191643 /nfs/dbraw/zinc/19/16/43/375191643.db2.gz LPBKUWKFFXJPCS-CQSZACIVSA-N 1 1 282.384 1.103 40 0 CDABMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](n3ccnc3)CC2)cn1 ZINC000257199899 190010589 /nfs/dbraw/zinc/01/05/89/190010589.db2.gz ABEOXJVZJMZGFB-HOTGVXAUSA-N 1 1 286.379 1.785 40 0 CDABMO CNc1cc(C)[nH+]c([C@@H]2CN(Cc3cc[nH]n3)CCO2)c1 ZINC000257207519 190011246 /nfs/dbraw/zinc/01/12/46/190011246.db2.gz BICXWCNYVICLBT-HNNXBMFYSA-N 1 1 287.367 1.728 40 0 CDABMO O[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1Oc1cccc(F)c1 ZINC000257222365 190014421 /nfs/dbraw/zinc/01/44/21/190014421.db2.gz DTARXWXFQJMNGN-ZIAGYGMSSA-N 1 1 294.351 1.906 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1Oc1cccc(F)c1 ZINC000257222365 190014422 /nfs/dbraw/zinc/01/44/22/190014422.db2.gz DTARXWXFQJMNGN-ZIAGYGMSSA-N 1 1 294.351 1.906 40 0 CDABMO Cc1nc(C[C@@H]2CCC[N@@H+](C)C2)cc(C(=O)N(C)C)n1 ZINC000257237000 190017855 /nfs/dbraw/zinc/01/78/55/190017855.db2.gz HETYUPFYTAFZKH-LBPRGKRZSA-N 1 1 276.384 1.371 40 0 CDABMO Cn1nccc1-c1cccc(C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000257245491 190019377 /nfs/dbraw/zinc/01/93/77/190019377.db2.gz IPSLBVMIGPEFTI-LBPRGKRZSA-N 1 1 256.353 1.976 40 0 CDABMO CCN1CCC([N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)CC1 ZINC000257287538 190027066 /nfs/dbraw/zinc/02/70/66/190027066.db2.gz PQJYONPTTNBLHK-HOTGVXAUSA-N 1 1 282.428 1.741 40 0 CDABMO CN1CCN(c2ncccc2[C@H]2CCCC[NH2+]2)CC1 ZINC000072216595 390621992 /nfs/dbraw/zinc/62/19/92/390621992.db2.gz ZFNFZKBQZGLDCL-CQSZACIVSA-N 1 1 260.385 1.648 40 0 CDABMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1C[C@H](O)CN1CCC(C)CC1 ZINC000096424714 391190329 /nfs/dbraw/zinc/19/03/29/391190329.db2.gz VOJUROBBYILNPW-IXDOHACOSA-N 1 1 298.471 1.705 40 0 CDABMO COc1cccc(NC(=O)C[N@H+](C)CCOC(C)C)c1 ZINC000040466173 174274850 /nfs/dbraw/zinc/27/48/50/174274850.db2.gz KZVAYSGGSXBFNX-UHFFFAOYSA-N 1 1 280.368 1.991 40 0 CDABMO COc1cccc(NC(=O)C[N@@H+](C)CCOC(C)C)c1 ZINC000040466173 174274852 /nfs/dbraw/zinc/27/48/52/174274852.db2.gz KZVAYSGGSXBFNX-UHFFFAOYSA-N 1 1 280.368 1.991 40 0 CDABMO CCc1[nH+]ccn1CCCNC(=O)c1cnccn1 ZINC000072242634 176349037 /nfs/dbraw/zinc/34/90/37/176349037.db2.gz PHSVAPGQQBKKGY-UHFFFAOYSA-N 1 1 259.313 1.056 40 0 CDABMO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC000072380892 176387342 /nfs/dbraw/zinc/38/73/42/176387342.db2.gz NAUQCLFQSMEDEH-LBPRGKRZSA-N 1 1 297.424 1.793 40 0 CDABMO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000072380892 176387345 /nfs/dbraw/zinc/38/73/45/176387345.db2.gz NAUQCLFQSMEDEH-LBPRGKRZSA-N 1 1 297.424 1.793 40 0 CDABMO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)cn1 ZINC000072385821 176390617 /nfs/dbraw/zinc/39/06/17/176390617.db2.gz GTRQRVMINLYHBR-CYBMUJFWSA-N 1 1 272.356 1.520 40 0 CDABMO Cn1cc(C[N@H+]2CCCC[C@@H]2c2ccnc(N)n2)cn1 ZINC000072385821 176390618 /nfs/dbraw/zinc/39/06/18/176390618.db2.gz GTRQRVMINLYHBR-CYBMUJFWSA-N 1 1 272.356 1.520 40 0 CDABMO CCn1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)n1 ZINC000072397554 176394826 /nfs/dbraw/zinc/39/48/26/176394826.db2.gz INJWRBVZHZPBNK-DOMZBBRYSA-N 1 1 262.401 1.880 40 0 CDABMO CC[N@H+]1CCc2nc(NC[C@@H]3CCCO3)ncc2C1 ZINC000072415045 176399301 /nfs/dbraw/zinc/39/93/01/176399301.db2.gz FCNIFPRVILNZLP-LBPRGKRZSA-N 1 1 262.357 1.446 40 0 CDABMO CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@@H+](C)C1 ZINC000257322593 262746012 /nfs/dbraw/zinc/74/60/12/262746012.db2.gz WGPUJYJHJUBJSH-SECBINFHSA-N 1 1 290.392 1.812 40 0 CDABMO CCN(C)c1ncnc2c1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096084083 276078891 /nfs/dbraw/zinc/07/88/91/276078891.db2.gz XQZBOQWPRCJGIQ-ZDUSSCGKSA-N 1 1 290.411 1.370 40 0 CDABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](C1CCC1)C2 ZINC000225493729 281137039 /nfs/dbraw/zinc/13/70/39/281137039.db2.gz URFCTOLFWWXTCX-HNNXBMFYSA-N 1 1 275.396 1.945 40 0 biogenic,in-vitro CDABMO CCOc1ccnc(N2CCN(c3cccc(C)[nH+]3)CC2)n1 ZINC000274584104 535557800 /nfs/dbraw/zinc/55/78/00/535557800.db2.gz IFSIJIVQXALTAU-UHFFFAOYSA-N 1 1 299.378 1.905 40 0 CDABMO C[N@H+]1CCCN(C(=O)c2ccc(-c3cncnc3)nc2)CC1 ZINC000064542310 361811265 /nfs/dbraw/zinc/81/12/65/361811265.db2.gz OLJXSZJVOCNGLH-UHFFFAOYSA-N 1 1 297.362 1.316 40 0 CDABMO CC(C)NC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1 ZINC000096058228 185078727 /nfs/dbraw/zinc/07/87/27/185078727.db2.gz OUMZVCIFCHYDKQ-AEGPPILISA-N 1 1 292.379 1.784 40 0 CDABMO CC(C)NC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1 ZINC000096058228 185078728 /nfs/dbraw/zinc/07/87/28/185078728.db2.gz OUMZVCIFCHYDKQ-AEGPPILISA-N 1 1 292.379 1.784 40 0 CDABMO COC[C@]12COC[C@H]1C[N@@H+](Cc1cccc(C)n1)C2 ZINC000096108625 185100396 /nfs/dbraw/zinc/10/03/96/185100396.db2.gz GHAWKJWQSFZKIP-UKRRQHHQSA-N 1 1 262.353 1.485 40 0 CDABMO CCOC[C@H]1C[N@@H+](C)C2(CN(C(=O)c3ccncc3)C2)C1 ZINC000585093792 342211306 /nfs/dbraw/zinc/21/13/06/342211306.db2.gz GFFFENYKUBYTGP-CYBMUJFWSA-N 1 1 289.379 1.264 40 0 CDABMO CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccccc1)C2 ZINC000585104457 342212892 /nfs/dbraw/zinc/21/28/92/342212892.db2.gz NLYTUGOKDGZWFN-MRXNPFEDSA-N 1 1 274.364 1.367 40 0 CDABMO Cc1n[nH]cc1-c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000585180214 342232560 /nfs/dbraw/zinc/23/25/60/342232560.db2.gz FZARQOQNABVXTP-LLVKDONJSA-N 1 1 257.341 1.984 40 0 CDABMO CO[C@@H]1CC[N@@H+](CCC(N)=O)C[C@H]1Cc1ccc(C)cc1 ZINC000585275175 342256114 /nfs/dbraw/zinc/25/61/14/342256114.db2.gz YYWYEXVKVYAVSK-HZPDHXFCSA-N 1 1 290.407 1.750 40 0 CDABMO C[NH+](C)CC[C@@H]1CN(CC2CCOCC2)Cc2cncn21 ZINC000248102726 362149897 /nfs/dbraw/zinc/14/98/97/362149897.db2.gz IAPFVFBXEYDYTM-OAHLLOKOSA-N 1 1 292.427 1.618 40 0 CDABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccsc2)[C@@H]2CCO[C@@H]21 ZINC000108524171 186220438 /nfs/dbraw/zinc/22/04/38/186220438.db2.gz LAWRKNUMIKNFHT-QJPTWQEYSA-N 1 1 266.366 1.083 40 0 CDABMO CNC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1cnc(C)nc1)C2 ZINC000108535582 186221752 /nfs/dbraw/zinc/22/17/52/186221752.db2.gz WLDHZKNCVXTDRC-GDBMZVCRSA-N 1 1 288.395 1.523 40 0 CDABMO CN(C)CC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000158241382 188365518 /nfs/dbraw/zinc/36/55/18/188365518.db2.gz GNSAWOXWFUBNOK-KRWDZBQOSA-N 1 1 289.423 1.719 40 0 CDABMO CCN(C(=O)C[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404204 356989401 /nfs/dbraw/zinc/98/94/01/356989401.db2.gz CBZPZNLXYFLTGC-HNNXBMFYSA-N 1 1 275.396 1.458 40 0 CDABMO CCN(C(=O)CN)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404204 356989405 /nfs/dbraw/zinc/98/94/05/356989405.db2.gz CBZPZNLXYFLTGC-HNNXBMFYSA-N 1 1 275.396 1.458 40 0 CDABMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000054371232 363594146 /nfs/dbraw/zinc/59/41/46/363594146.db2.gz RWLPAVWLVUWAFK-MRVPVSSYSA-N 1 1 292.763 1.462 40 0 CDABMO c1nc2c(c([C@H]3CCOC3)n1)CC[N@@H+](CC1CC1)CC2 ZINC000096058682 358707257 /nfs/dbraw/zinc/70/72/57/358707257.db2.gz FDAXZDOFNSLEFE-ZDUSSCGKSA-N 1 1 273.380 1.791 40 0 CDABMO c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccnc4)C[C@H]3C2)nc1 ZINC000096063764 358707271 /nfs/dbraw/zinc/70/72/71/358707271.db2.gz BVMRHUPKALXXTB-DZGCQCFKSA-N 1 1 297.362 1.214 40 0 CDABMO C[NH+](C)Cc1cn2c(n1)CN(Cc1nccs1)CC2 ZINC000096197149 358716360 /nfs/dbraw/zinc/71/63/60/358716360.db2.gz CQCNTEUADMNNKT-UHFFFAOYSA-N 1 1 277.397 1.417 40 0 CDABMO Cc1noc(C)c1C[NH+]1CC2(C1)CCN(c1ncccn1)C2 ZINC000096202577 358719431 /nfs/dbraw/zinc/71/94/31/358719431.db2.gz MDFFWASEKHBICA-UHFFFAOYSA-N 1 1 299.378 1.794 40 0 CDABMO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3C(C)C)n1 ZINC000096245753 358725970 /nfs/dbraw/zinc/72/59/70/358725970.db2.gz ZMQNNQXKYCQABV-GJZGRUSLSA-N 1 1 273.380 1.974 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1 ZINC000096249558 358726911 /nfs/dbraw/zinc/72/69/11/358726911.db2.gz QRMATVHWDMZPJN-ZIAGYGMSSA-N 1 1 294.420 1.470 40 0 CDABMO Cc1ncnc2c1CC[N@H+](Cc1nccs1)CC2 ZINC000096254946 358727992 /nfs/dbraw/zinc/72/79/92/358727992.db2.gz GPBXXBPAFYFGQE-UHFFFAOYSA-N 1 1 260.366 1.842 40 0 CDABMO Cc1ncnc2c1CC[N@@H+](Cc1nccs1)CC2 ZINC000096254946 358727997 /nfs/dbraw/zinc/72/79/97/358727997.db2.gz GPBXXBPAFYFGQE-UHFFFAOYSA-N 1 1 260.366 1.842 40 0 CDABMO C[N@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC000096258999 358728896 /nfs/dbraw/zinc/72/88/96/358728896.db2.gz CGHQJDAXEFYQQI-UHFFFAOYSA-N 1 1 259.313 1.088 40 0 CDABMO c1cnc2c(c1)C[N@H+]([C@H]1CCOC1)CCN2CC1CC1 ZINC000107214863 359017294 /nfs/dbraw/zinc/01/72/94/359017294.db2.gz QRQCZKCRJRXPNI-HNNXBMFYSA-N 1 1 273.380 1.903 40 0 CDABMO c1cnc2c(c1)C[N@@H+]([C@H]1CCOC1)CCN2CC1CC1 ZINC000107214863 359017300 /nfs/dbraw/zinc/01/73/00/359017300.db2.gz QRQCZKCRJRXPNI-HNNXBMFYSA-N 1 1 273.380 1.903 40 0 CDABMO COC(=O)[C@@H](C)[N@H+](CCN1CCOC[C@@H]1C)C1CCC1 ZINC000225629041 291232099 /nfs/dbraw/zinc/23/20/99/291232099.db2.gz SKAGQPWLEVLOEV-QWHCGFSZSA-N 1 1 284.400 1.123 40 0 CDABMO COC(=O)[C@@H](C)[N@@H+](CCN1CCOC[C@@H]1C)C1CCC1 ZINC000225629041 291232100 /nfs/dbraw/zinc/23/21/00/291232100.db2.gz SKAGQPWLEVLOEV-QWHCGFSZSA-N 1 1 284.400 1.123 40 0 CDABMO COCc1noc([C@H](C)N2CC[N@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000333449453 205330902 /nfs/dbraw/zinc/33/09/02/205330902.db2.gz RKEPFNQLFHPMRT-RYUDHWBXSA-N 1 1 294.399 1.693 40 0 CDABMO COC(C[NH+]1CCN(c2cc(C)ccn2)CC1)OC ZINC000161621859 374381464 /nfs/dbraw/zinc/38/14/64/374381464.db2.gz OROFIVOGRODUQG-UHFFFAOYSA-N 1 1 265.357 1.131 40 0 CDABMO CSc1nc(N2CCC(O)CC2)cc(NC2CC2)[nH+]1 ZINC000079438873 374405911 /nfs/dbraw/zinc/40/59/11/374405911.db2.gz ZDJJBWTWQCSNOK-UHFFFAOYSA-N 1 1 280.397 1.734 40 0 CDABMO CSc1nc(NC2CC2)cc(N2CCC(O)CC2)[nH+]1 ZINC000079438873 374405919 /nfs/dbraw/zinc/40/59/19/374405919.db2.gz ZDJJBWTWQCSNOK-UHFFFAOYSA-N 1 1 280.397 1.734 40 0 CDABMO COC[C@@H]1CC[N@@H+](C)C2(CN(Cc3cccc(C)n3)C2)C1 ZINC000306141769 374971707 /nfs/dbraw/zinc/97/17/07/374971707.db2.gz WFZJCHNYGFRGJE-OAHLLOKOSA-N 1 1 289.423 1.933 40 0 CDABMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cnn(C)c2)C1 ZINC000230163972 375529311 /nfs/dbraw/zinc/52/93/11/375529311.db2.gz YEXXIVAENYCGHI-SGMGOOAPSA-N 1 1 250.390 1.799 40 0 CDABMO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000230163972 375529314 /nfs/dbraw/zinc/52/93/14/375529314.db2.gz YEXXIVAENYCGHI-SGMGOOAPSA-N 1 1 250.390 1.799 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2cncs2)C[C@@]12CCCO2 ZINC000257228727 190016477 /nfs/dbraw/zinc/01/64/77/190016477.db2.gz FUZRYSXJRASDAY-STQMWFEESA-N 1 1 268.382 1.913 40 0 CDABMO Cc1c[nH]c([C@@H]2C[N@@H+](CC3CCOCC3)CCO2)n1 ZINC000257248472 190019782 /nfs/dbraw/zinc/01/97/82/190019782.db2.gz JDUQLRVLVRGEAP-ZDUSSCGKSA-N 1 1 265.357 1.518 40 0 CDABMO Cc1cncc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257271760 190024042 /nfs/dbraw/zinc/02/40/42/190024042.db2.gz MZRWSBTXEHRDFM-AWEZNQCLSA-N 1 1 288.395 1.587 40 0 CDABMO Cc1cncc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257271760 190024043 /nfs/dbraw/zinc/02/40/43/190024043.db2.gz MZRWSBTXEHRDFM-AWEZNQCLSA-N 1 1 288.395 1.587 40 0 CDABMO COC[C@H]1CN(C(=O)CCc2ccccc2)CC[N@@H+](C)C1 ZINC000257273315 190024721 /nfs/dbraw/zinc/02/47/21/190024721.db2.gz NGBXNJDOWDSVTF-MRXNPFEDSA-N 1 1 290.407 1.656 40 0 CDABMO CNC(=O)[C@@H]1CN(Cc2cccc(F)c2F)CC[N@@H+](C)C1 ZINC000257275245 190024879 /nfs/dbraw/zinc/02/48/79/190024879.db2.gz NOMXRRLHKJXWDF-LBPRGKRZSA-N 1 1 297.349 1.074 40 0 CDABMO CC(=O)N[C@H]1CC[N@@H+](Cc2cccs2)CC[C@@H]1O ZINC000257294047 190028270 /nfs/dbraw/zinc/02/82/70/190028270.db2.gz QSFKNTNGWDRUBW-STQMWFEESA-N 1 1 268.382 1.210 40 0 CDABMO Cn1nccc1-c1ccc(C[C@H]2CC[N@@H+](C)C2)cn1 ZINC000257312619 190031977 /nfs/dbraw/zinc/03/19/77/190031977.db2.gz UOUZSAZBMASKFD-CYBMUJFWSA-N 1 1 256.353 1.976 40 0 CDABMO Cc1cc([C@@H]2C[N@H+](CC3CCOCC3)CCO2)nc(C)n1 ZINC000257330175 190034879 /nfs/dbraw/zinc/03/48/79/190034879.db2.gz XNFDRZHOUNIIAO-INIZCTEOSA-N 1 1 291.395 1.893 40 0 CDABMO Cc1cc([C@@H]2C[N@@H+](CC3CCOCC3)CCO2)nc(C)n1 ZINC000257330175 190034880 /nfs/dbraw/zinc/03/48/80/190034880.db2.gz XNFDRZHOUNIIAO-INIZCTEOSA-N 1 1 291.395 1.893 40 0 CDABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000257340714 190036870 /nfs/dbraw/zinc/03/68/70/190036870.db2.gz ZHGOHSOAXRPCFU-CYBMUJFWSA-N 1 1 276.384 1.520 40 0 CDABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000257340715 190037425 /nfs/dbraw/zinc/03/74/25/190037425.db2.gz ZHGOHSOAXRPCFU-ZDUSSCGKSA-N 1 1 276.384 1.520 40 0 CDABMO COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2N)cc1OC ZINC000218871368 377965522 /nfs/dbraw/zinc/96/55/22/377965522.db2.gz FNVWYGBIEXEYCD-CHWSQXEVSA-N 1 1 264.369 1.716 40 0 CDABMO COCC[N@H+]1CC[C@H]2CN(c3ncccn3)CC[C@H]21 ZINC000096249194 390913584 /nfs/dbraw/zinc/91/35/84/390913584.db2.gz CVHWQGRSLDCQTN-QWHCGFSZSA-N 1 1 262.357 1.024 40 0 CDABMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2CC1CCCCC1 ZINC000067897099 391964022 /nfs/dbraw/zinc/96/40/22/391964022.db2.gz BDWXDRUDRQJCEU-CABCVRRESA-N 1 1 280.412 1.887 40 0 biogenic,in-vitro CDABMO Cn1ccc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000227220875 140183243 /nfs/dbraw/zinc/18/32/43/140183243.db2.gz WQOWSBRSMYISFG-LSDHHAIUSA-N 1 1 256.353 1.697 40 0 CDABMO NC(=O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000072350988 176373790 /nfs/dbraw/zinc/37/37/90/176373790.db2.gz OKQONCWAHWVCIG-UHFFFAOYSA-N 1 1 252.289 1.154 40 0 CDABMO CNc1cc([C@H]2CCCC[N@H+]2CCO)nc(C)n1 ZINC000072359940 176377140 /nfs/dbraw/zinc/37/71/40/176377140.db2.gz LKYOUQSGSKMDGD-GFCCVEGCSA-N 1 1 250.346 1.346 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2nccnc2c1 ZINC000072397618 176394883 /nfs/dbraw/zinc/39/48/83/176394883.db2.gz XLNJRKVRWGASSU-NWANDNLSSA-N 1 1 298.390 1.269 40 0 CDABMO COCC[N@@H+]1CC[C@H](NCc2cc(F)ccc2F)C1 ZINC000078663175 177367900 /nfs/dbraw/zinc/36/79/00/177367900.db2.gz PGUOROYSLNVTFH-ZDUSSCGKSA-N 1 1 270.323 1.775 40 0 CDABMO COCC[N@H+]1CC[C@H](NCc2cc(F)ccc2F)C1 ZINC000078663175 177367903 /nfs/dbraw/zinc/36/79/03/177367903.db2.gz PGUOROYSLNVTFH-ZDUSSCGKSA-N 1 1 270.323 1.775 40 0 CDABMO Cc1nc([C@H]2CC[N@H+]2C2CCOCC2)cc(N(C)C)n1 ZINC000072387474 279108955 /nfs/dbraw/zinc/10/89/55/279108955.db2.gz UADXGECFZCWCMF-CQSZACIVSA-N 1 1 276.384 1.777 40 0 CDABMO Cn1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccccn3)C2)n1 ZINC000257243539 570324330 /nfs/dbraw/zinc/32/43/30/570324330.db2.gz IHLGPPNQNYTNLI-OAHLLOKOSA-N 1 1 285.395 1.916 40 0 CDABMO Cn1ccc(C[N@@H+](C)[C@@H]2CCCN(c3ccccn3)C2)n1 ZINC000257243539 570324335 /nfs/dbraw/zinc/32/43/35/570324335.db2.gz IHLGPPNQNYTNLI-OAHLLOKOSA-N 1 1 285.395 1.916 40 0 CDABMO c1cc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)ccn1 ZINC000096110688 342451684 /nfs/dbraw/zinc/45/16/84/342451684.db2.gz DABADBDWDFLXAT-IAGOWNOFSA-N 1 1 287.407 1.767 40 0 CDABMO CCOc1cc([C@@H]([NH3+])c2ncn(C)n2)ccc1OC ZINC000095534493 185005727 /nfs/dbraw/zinc/00/57/27/185005727.db2.gz XKNNOJCSLGODHH-GFCCVEGCSA-N 1 1 262.313 1.271 40 0 CDABMO COCCN1C(=O)CC[C@]12CCC[N@@H+](CC1CC1)CC2 ZINC000096047533 185073312 /nfs/dbraw/zinc/07/33/12/185073312.db2.gz JJHWOLJYFGNYML-INIZCTEOSA-N 1 1 280.412 1.890 40 0 CDABMO c1ccc(CO[C@H]2C[C@@H]3C[N@@H+](CC4CC4)CCN3C2)nc1 ZINC000096055125 185076127 /nfs/dbraw/zinc/07/61/27/185076127.db2.gz XFZIQEZBAUMNGZ-SJORKVTESA-N 1 1 287.407 1.767 40 0 CDABMO c1ccc(CO[C@H]2C[C@@H]3CN(CC4CC4)CC[N@@H+]3C2)nc1 ZINC000096055125 185076128 /nfs/dbraw/zinc/07/61/28/185076128.db2.gz XFZIQEZBAUMNGZ-SJORKVTESA-N 1 1 287.407 1.767 40 0 CDABMO c1ccc(CO[C@H]2C[C@@H]3CN(CC4CC4)CC[N@H+]3C2)nc1 ZINC000096055125 185076129 /nfs/dbraw/zinc/07/61/29/185076129.db2.gz XFZIQEZBAUMNGZ-SJORKVTESA-N 1 1 287.407 1.767 40 0 CDABMO COCCN1CC[C@H]2C[N@@H+](Cc3ccc(C)o3)C[C@@H]2C1=O ZINC000096054614 185076237 /nfs/dbraw/zinc/07/62/37/185076237.db2.gz ZPUXMNIQXHWOAC-ZFWWWQNUSA-N 1 1 292.379 1.515 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccc(C)o3)C[C@H]2O1 ZINC000096058218 185078904 /nfs/dbraw/zinc/07/89/04/185078904.db2.gz ZVOPJEPCLUCFKC-IACUBPJLSA-N 1 1 278.352 1.313 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccc(C)o3)C[C@H]2O1 ZINC000096058218 185078906 /nfs/dbraw/zinc/07/89/06/185078906.db2.gz ZVOPJEPCLUCFKC-IACUBPJLSA-N 1 1 278.352 1.313 40 0 CDABMO O[C@H]1CC[N@H+](Cc2nccs2)[C@H]1Cc1ccncc1 ZINC000096061648 185082871 /nfs/dbraw/zinc/08/28/71/185082871.db2.gz YYOYZSUQHHDEPB-STQMWFEESA-N 1 1 275.377 1.716 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2nccs2)[C@H]1Cc1ccncc1 ZINC000096061648 185082872 /nfs/dbraw/zinc/08/28/72/185082872.db2.gz YYOYZSUQHHDEPB-STQMWFEESA-N 1 1 275.377 1.716 40 0 CDABMO CCCS(=O)(=O)N1CC2(C1)CC[N@H+](Cc1ccoc1)C2 ZINC000096070927 185087329 /nfs/dbraw/zinc/08/73/29/185087329.db2.gz QZGBLAWQQBIQNU-UHFFFAOYSA-N 1 1 298.408 1.527 40 0 CDABMO CCCS(=O)(=O)N1CC2(C1)CC[N@@H+](Cc1ccoc1)C2 ZINC000096070927 185087331 /nfs/dbraw/zinc/08/73/31/185087331.db2.gz QZGBLAWQQBIQNU-UHFFFAOYSA-N 1 1 298.408 1.527 40 0 CDABMO O=C(Nc1cccnc1)[C@H]1C[C@@H]2C[N@@H+](CC3CC3)C[C@H]1O2 ZINC000096083627 185092241 /nfs/dbraw/zinc/09/22/41/185092241.db2.gz REVPPJVSMWMVDP-QLFBSQMISA-N 1 1 287.363 1.519 40 0 CDABMO CC1(C)[C@H](OC[C@H](O)C[NH+]2CCOCC2)[C@]2(C)CC[C@H]1C2 ZINC000245253857 342157114 /nfs/dbraw/zinc/15/71/14/342157114.db2.gz HTTPYTHCALVFES-QSJFSLAZSA-N 1 1 297.439 1.911 40 0 CDABMO Cn1cnc2c1C[C@H](CO)[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000585094553 342211200 /nfs/dbraw/zinc/21/12/00/342211200.db2.gz AXMCYGWFLIERTA-CYBMUJFWSA-N 1 1 296.374 1.821 40 0 CDABMO Cn1cnc2c1C[C@H](CO)[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC000585094553 342211201 /nfs/dbraw/zinc/21/12/01/342211201.db2.gz AXMCYGWFLIERTA-CYBMUJFWSA-N 1 1 296.374 1.821 40 0 CDABMO COc1ccccc1C[N@@H+]1Cc2cncn2CC[C@@H]1CO ZINC000585096864 342211873 /nfs/dbraw/zinc/21/18/73/342211873.db2.gz DUBDTDKYZGPVGI-CQSZACIVSA-N 1 1 287.363 1.659 40 0 CDABMO COc1ccccc1C[N@H+]1Cc2cncn2CC[C@@H]1CO ZINC000585096864 342211874 /nfs/dbraw/zinc/21/18/74/342211874.db2.gz DUBDTDKYZGPVGI-CQSZACIVSA-N 1 1 287.363 1.659 40 0 CDABMO COC[C@]1(CC(N)=O)CCC[N@H+]1Cc1cc(F)ccc1F ZINC000585275984 342256265 /nfs/dbraw/zinc/25/62/65/342256265.db2.gz CHZQKXVKOXTMRE-OAHLLOKOSA-N 1 1 298.333 1.821 40 0 CDABMO CO[C@@]1(CCC(N)=O)CCC[N@@H+](Cc2ccncc2C)C1 ZINC000585277324 342256391 /nfs/dbraw/zinc/25/63/91/342256391.db2.gz UMZJZIKSZKXKSZ-MRXNPFEDSA-N 1 1 291.395 1.637 40 0 CDABMO Cc1ccc(C[C@H]2CC[N@@H+](CCC(N)=O)C[C@H]2O)cc1 ZINC000585278628 342256973 /nfs/dbraw/zinc/25/69/73/342256973.db2.gz PIULOVRFSBSGSM-HUUCEWRRSA-N 1 1 276.380 1.096 40 0 CDABMO C[N@@H+]1Cc2ccnn2C[C@H](CCNC(=O)CC2CC2)C1 ZINC000247721601 362128508 /nfs/dbraw/zinc/12/85/08/362128508.db2.gz BARCYDFHGBDCDV-CYBMUJFWSA-N 1 1 276.384 1.251 40 0 CDABMO Cc1cc(Cl)ccc1C[N@H+](C)CC(=O)N1CCOCC1 ZINC000136141326 362253946 /nfs/dbraw/zinc/25/39/46/362253946.db2.gz PMSZKBCAKZIOBV-UHFFFAOYSA-N 1 1 296.798 1.939 40 0 CDABMO Cc1cc(Cl)ccc1C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000136141326 362253950 /nfs/dbraw/zinc/25/39/50/362253950.db2.gz PMSZKBCAKZIOBV-UHFFFAOYSA-N 1 1 296.798 1.939 40 0 CDABMO CN1C[C@H]2C[N@H+](Cc3ccnc4ccccc34)CCN2C1=O ZINC000085436201 179062654 /nfs/dbraw/zinc/06/26/54/179062654.db2.gz VCDRRSHKNLKVRZ-AWEZNQCLSA-N 1 1 296.374 1.786 40 0 biogenic,in-vitro CDABMO CN1C[C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCN2C1=O ZINC000085436201 179062655 /nfs/dbraw/zinc/06/26/55/179062655.db2.gz VCDRRSHKNLKVRZ-AWEZNQCLSA-N 1 1 296.374 1.786 40 0 biogenic,in-vitro CDABMO Cn1cc(C[N@@H+]2CCOC[C@H](Oc3ccccc3)C2)cn1 ZINC000085435979 179063063 /nfs/dbraw/zinc/06/30/63/179063063.db2.gz WLJGBFXIDXXCCJ-MRXNPFEDSA-N 1 1 287.363 1.700 40 0 biogenic,in-vitro CDABMO Cn1cc(C[N@H+]2CCOC[C@H](Oc3ccccc3)C2)cn1 ZINC000085435979 179063066 /nfs/dbraw/zinc/06/30/66/179063066.db2.gz WLJGBFXIDXXCCJ-MRXNPFEDSA-N 1 1 287.363 1.700 40 0 biogenic,in-vitro CDABMO CN1CCN(CCC[NH+]2C[C@@H]3CC=CC[C@H]3C2)CC1 ZINC000019366876 356483264 /nfs/dbraw/zinc/48/32/64/356483264.db2.gz FNUJFJIIMIYYBY-HOTGVXAUSA-N 1 1 263.429 1.522 40 0 CDABMO CC(C)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404240 356989981 /nfs/dbraw/zinc/98/99/81/356989981.db2.gz DTFUMUUQHRXSHW-INIZCTEOSA-N 1 1 289.423 1.847 40 0 CDABMO CC(C)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)CN ZINC000079404240 356989984 /nfs/dbraw/zinc/98/99/84/356989984.db2.gz DTFUMUUQHRXSHW-INIZCTEOSA-N 1 1 289.423 1.847 40 0 CDABMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCO)C1 ZINC000079407893 356991186 /nfs/dbraw/zinc/99/11/86/356991186.db2.gz BRWKKMOAWMMRAM-NSHDSACASA-N 1 1 258.362 1.310 40 0 CDABMO CC[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000019500610 358097212 /nfs/dbraw/zinc/09/72/12/358097212.db2.gz IYFBNKQTVPQRAU-AWEZNQCLSA-N 1 1 292.431 1.877 40 0 CDABMO C[NH+](C)Cc1cn2c(n1)CN(C(=O)Cc1ccccc1)CC2 ZINC000096197159 358716293 /nfs/dbraw/zinc/71/62/93/358716293.db2.gz LYZGNKXNEQQWMT-UHFFFAOYSA-N 1 1 298.390 1.530 40 0 CDABMO COCC(=O)N1CCN(CC2CC2)c2[nH+]c(C)ccc2C1 ZINC000096199082 358717606 /nfs/dbraw/zinc/71/76/06/358717606.db2.gz GLQYHFUNFFNOHV-UHFFFAOYSA-N 1 1 289.379 1.595 40 0 CDABMO C[N@H+]1CC[C@@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096201914 358719300 /nfs/dbraw/zinc/71/93/00/358719300.db2.gz DSYKGZRMLUKKPP-AWEZNQCLSA-N 1 1 266.410 1.902 40 0 CDABMO COCC[N@H+]1CC[C@@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096218488 358722328 /nfs/dbraw/zinc/72/23/28/358722328.db2.gz BARYWAMDNKJXDT-JKSUJKDBSA-N 1 1 277.364 1.945 40 0 CDABMO CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccc(C)c3)C2)C1 ZINC000096225435 358722841 /nfs/dbraw/zinc/72/28/41/358722841.db2.gz LIJFEPDDYHNWHA-MRXNPFEDSA-N 1 1 287.363 1.462 40 0 CDABMO CC[N@H+]1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253445 358727424 /nfs/dbraw/zinc/72/74/24/358727424.db2.gz AGECJHOCFMXKCW-QLFBSQMISA-N 1 1 274.364 1.412 40 0 CDABMO Cn1cc(-c2ncnc3c2CC[N@H+]([C@H]2CCOC2)CC3)cn1 ZINC000096255222 358728589 /nfs/dbraw/zinc/72/85/89/358728589.db2.gz LTNLGLGWMRLCBJ-ZDUSSCGKSA-N 1 1 299.378 1.067 40 0 CDABMO C[NH2+][C@H](C(N)=O)c1cc(Br)ccc1OC ZINC000037869831 359462970 /nfs/dbraw/zinc/46/29/70/359462970.db2.gz FUWISXRNFUFADM-VIFPVBQESA-N 1 1 273.130 1.204 40 0 CDABMO O=C(NCCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000028211019 359530723 /nfs/dbraw/zinc/53/07/23/359530723.db2.gz NCQCMNSBZDBAGM-UHFFFAOYSA-N 1 1 284.306 1.417 40 0 CDABMO CC(=O)O[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1OC(C)=O ZINC000097758875 361077423 /nfs/dbraw/zinc/07/74/23/361077423.db2.gz YWOJDZHZPDSFHZ-GJZGRUSLSA-N 1 1 277.320 1.366 40 0 CDABMO C[NH+](C)CCC[NH2+]Cc1cccc(OCC(=O)[O-])c1 ZINC000062718594 364840980 /nfs/dbraw/zinc/84/09/80/364840980.db2.gz HTNYXPCKGQDLPR-UHFFFAOYSA-N 1 1 266.341 1.191 40 0 CDABMO Cn1cc(C[NH2+]Cc2cn(C)nc2C(F)(F)F)cn1 ZINC000130690845 372357230 /nfs/dbraw/zinc/35/72/30/372357230.db2.gz IFZZECLSENEWPH-UHFFFAOYSA-N 1 1 273.262 1.462 40 0 CDABMO CCS(=O)(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@]1([NH3+])COC ZINC000218585496 373046871 /nfs/dbraw/zinc/04/68/71/373046871.db2.gz DIKLLSFLPFJZPF-AVGNSLFASA-N 1 1 287.356 1.070 40 0 CDABMO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000132381350 375468038 /nfs/dbraw/zinc/46/80/38/375468038.db2.gz UZYGOQULALXDEG-HIFRSBDPSA-N 1 1 296.436 1.489 40 0 CDABMO CCCn1cc(C[NH2+]Cc2c(C)nn(C)c2F)cn1 ZINC000256054054 190005178 /nfs/dbraw/zinc/00/51/78/190005178.db2.gz UTRMEEMDPCXRND-UHFFFAOYSA-N 1 1 265.336 1.764 40 0 CDABMO C[N@H+]1CCC[C@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257271228 190024362 /nfs/dbraw/zinc/02/43/62/190024362.db2.gz MXKPKOLLMHJZRG-JTQLQIEISA-N 1 1 262.313 1.242 40 0 CDABMO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cnccn3)C2)n1 ZINC000257306774 190031530 /nfs/dbraw/zinc/03/15/30/190031530.db2.gz SVVAPQDAFXTBEQ-LBPRGKRZSA-N 1 1 257.341 1.508 40 0 CDABMO CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)C2(CN)C[NH3+])cc1 ZINC000218396447 375826914 /nfs/dbraw/zinc/82/69/14/375826914.db2.gz CNRMZWACIZSSRP-UONOGXRCSA-N 1 1 296.436 1.053 40 0 CDABMO Cc1nccc(C[C@H]2COCC[N@H+](C3CCOCC3)C2)n1 ZINC000257300819 190029060 /nfs/dbraw/zinc/02/90/60/190029060.db2.gz RVUZGPKBAMWBQG-CQSZACIVSA-N 1 1 291.395 1.455 40 0 CDABMO Cc1ccnc([C@H]2CC[N@@H+](CC3(O)CCOCC3)C2)n1 ZINC000257299135 190029585 /nfs/dbraw/zinc/02/95/85/190029585.db2.gz ROVZHXDGBVKAMS-ZDUSSCGKSA-N 1 1 277.368 1.116 40 0 CDABMO c1cnc(C[NH+]2CCC(c3cnccn3)CC2)cn1 ZINC000257309200 190031304 /nfs/dbraw/zinc/03/13/04/190031304.db2.gz TZXWNZLYVIRRSX-UHFFFAOYSA-N 1 1 255.325 1.646 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1Oc1ccccc1 ZINC000257316967 190032847 /nfs/dbraw/zinc/03/28/47/190032847.db2.gz VHSWMDIIXUEZBQ-HZPDHXFCSA-N 1 1 270.332 1.706 40 0 CDABMO CNC(=O)[C@]1(CCCc2cnccn2)CCC[N@H+]1C ZINC000257318558 190033539 /nfs/dbraw/zinc/03/35/39/190033539.db2.gz VOLJIRKAVRFYIF-AWEZNQCLSA-N 1 1 262.357 1.010 40 0 CDABMO C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)CN1CCCC1=O ZINC000257338169 190036670 /nfs/dbraw/zinc/03/66/70/190036670.db2.gz YWGHRSPSCWWTEL-BBRMVZONSA-N 1 1 293.411 1.084 40 0 CDABMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1CCC(F)(F)C1 ZINC000331307049 376911343 /nfs/dbraw/zinc/91/13/43/376911343.db2.gz GGYBGZJRKJKPAE-NEPJUHHUSA-N 1 1 290.354 1.385 40 0 CDABMO Cc1noc(CN[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000289322241 197297048 /nfs/dbraw/zinc/29/70/48/197297048.db2.gz CMKVOLZXDOBFJK-HIFRSBDPSA-N 1 1 272.352 1.913 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc(CC)cc1 ZINC000242547864 256698781 /nfs/dbraw/zinc/69/87/81/256698781.db2.gz KWYIZCINPHWJAP-KFWWJZLASA-N 1 1 297.420 1.493 40 0 CDABMO C[N@@H+]1CCO[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249549 256834755 /nfs/dbraw/zinc/83/47/55/256834755.db2.gz ZGJYXGMBOWVRCW-GDBMZVCRSA-N 1 1 278.371 1.978 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249549 256834756 /nfs/dbraw/zinc/83/47/56/256834756.db2.gz ZGJYXGMBOWVRCW-GDBMZVCRSA-N 1 1 278.371 1.978 40 0 CDABMO CCN(CC)CC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062718491 391576545 /nfs/dbraw/zinc/57/65/45/391576545.db2.gz UTMMHCNOYHPFQQ-UHFFFAOYSA-N 1 1 277.416 1.508 40 0 CDABMO COc1ccc(C[C@H]2C[N@@H+](C)CC[C@H]2O)c(OC)c1OC ZINC000252497672 392795043 /nfs/dbraw/zinc/79/50/43/392795043.db2.gz QMQMRMFUDUJKIO-QWHCGFSZSA-N 1 1 295.379 1.568 40 0 CDABMO COC(=O)[C@@H](C)C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000012650075 170502419 /nfs/dbraw/zinc/50/24/19/170502419.db2.gz BDEAVZQFIXHXIP-NSHDSACASA-N 1 1 286.372 1.348 40 0 CDABMO CC[C@@H](c1nnnn1Cc1ccco1)N1CC[NH+](C)CC1 ZINC000020141516 171027897 /nfs/dbraw/zinc/02/78/97/171027897.db2.gz JXQATLCIOYZHGH-ZDUSSCGKSA-N 1 1 290.371 1.013 40 0 CDABMO Cc1ccc2cnn(CCC(=O)N3CC[NH+](C)CC3)c2c1 ZINC000040759101 174396889 /nfs/dbraw/zinc/39/68/89/174396889.db2.gz VKCFDFHSRXDTGR-UHFFFAOYSA-N 1 1 286.379 1.509 40 0 CDABMO COC[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CC[N@@H+](C)C1 ZINC000072354439 176374691 /nfs/dbraw/zinc/37/46/91/176374691.db2.gz CGZMPQORSMZKFE-LBPRGKRZSA-N 1 1 296.798 1.990 40 0 CDABMO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072355655 176374926 /nfs/dbraw/zinc/37/49/26/176374926.db2.gz JQXDLTRFOTWMEQ-CYBMUJFWSA-N 1 1 285.351 1.198 40 0 CDABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072355655 176374927 /nfs/dbraw/zinc/37/49/27/176374927.db2.gz JQXDLTRFOTWMEQ-CYBMUJFWSA-N 1 1 285.351 1.198 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc(F)ccc1F ZINC000072397676 176395087 /nfs/dbraw/zinc/39/50/87/176395087.db2.gz CXRGNYDKPUQGJC-LERXQTSPSA-N 1 1 282.334 1.604 40 0 CDABMO CCOc1ccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)cc1 ZINC000072397575 176395125 /nfs/dbraw/zinc/39/51/25/176395125.db2.gz QQIFUIXIROAAQF-NUEKZKHPSA-N 1 1 290.407 1.725 40 0 CDABMO CC[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cn3)C2)C1 ZINC000096229355 276204568 /nfs/dbraw/zinc/20/45/68/276204568.db2.gz AERCGQGONHWSNW-INIZCTEOSA-N 1 1 290.411 1.724 40 0 CDABMO CCS(=O)(=O)NCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000230111896 280025359 /nfs/dbraw/zinc/02/53/59/280025359.db2.gz RBZCOTIIGANSMM-FRRDWIJNSA-N 1 1 274.430 1.579 40 0 CDABMO CCN1CC[NH+](C[C@H](O)COc2cccc(C)c2)CC1 ZINC000022030824 521687280 /nfs/dbraw/zinc/68/72/80/521687280.db2.gz JHJRVXUCLYSFQV-HNNXBMFYSA-N 1 1 278.396 1.372 40 0 CDABMO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096038979 185069049 /nfs/dbraw/zinc/06/90/49/185069049.db2.gz QDVIMXPIVJKTEN-LSDHHAIUSA-N 1 1 279.384 1.438 40 0 CDABMO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](CC4CC4)C[C@H]3O2)n1 ZINC000096058246 185078724 /nfs/dbraw/zinc/07/87/24/185078724.db2.gz VZLLSYPDDMZIQW-RWMBFGLXSA-N 1 1 263.341 1.940 40 0 CDABMO CCOC[C@H]1C[N@@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096060225 185080592 /nfs/dbraw/zinc/08/05/92/185080592.db2.gz OVLITQGLBCUGNT-CQSZACIVSA-N 1 1 293.411 1.782 40 0 CDABMO COCCO[C@H]1CC[N@@H+](CC2CC2)[C@H]1Cc1cnn(C)c1 ZINC000096061644 185082488 /nfs/dbraw/zinc/08/24/88/185082488.db2.gz RVUBEYPRFVPHRE-HOTGVXAUSA-N 1 1 293.411 1.479 40 0 CDABMO O=S1(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000096100449 185097629 /nfs/dbraw/zinc/09/76/29/185097629.db2.gz YZTODTHWLXHOJI-ZIAGYGMSSA-N 1 1 280.393 1.200 40 0 CDABMO C[C@]12CCC[N@@H+](CC3(O)CCOCC3)[C@H]1CCCC(=O)N2 ZINC000585262738 342250199 /nfs/dbraw/zinc/25/01/99/342250199.db2.gz BDMYGSFUSAFLMY-ZFWWWQNUSA-N 1 1 296.411 1.051 40 0 CDABMO Cc1ccc(OC[C@@]2(O)CC[N@H+](C3CCOCC3)C2)cc1 ZINC000585269117 342254532 /nfs/dbraw/zinc/25/45/32/342254532.db2.gz KHUHFMDVRXFIIR-QGZVFWFLSA-N 1 1 291.391 1.990 40 0 CDABMO CC(C)[NH+]1CC2(C1)OCC[C@H]2COc1ccccn1 ZINC000248140512 362153679 /nfs/dbraw/zinc/15/36/79/362153679.db2.gz BRJCBVCZYNDJIB-ZDUSSCGKSA-N 1 1 262.353 1.960 40 0 CDABMO C[N@@H+]1CCN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1c1ccccc1 ZINC000257329279 362587110 /nfs/dbraw/zinc/58/71/10/362587110.db2.gz XJEFTJCJVBYIKD-OAHLLOKOSA-N 1 1 297.358 1.916 40 0 CDABMO C[N@H+]1CCN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1c1ccccc1 ZINC000257329279 362587111 /nfs/dbraw/zinc/58/71/11/362587111.db2.gz XJEFTJCJVBYIKD-OAHLLOKOSA-N 1 1 297.358 1.916 40 0 CDABMO c1nncn1[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000107787786 186192096 /nfs/dbraw/zinc/19/20/96/186192096.db2.gz OIPNZFOHLDQELK-CVEARBPZSA-N 1 1 299.378 1.669 40 0 CDABMO COC(=O)CC[N@H+]1CCN(Cc2ccc(C)o2)[C@@H](C)C1 ZINC000154769776 351334244 /nfs/dbraw/zinc/33/42/44/351334244.db2.gz JPENZDFWDCPJBT-LBPRGKRZSA-N 1 1 280.368 1.657 40 0 CDABMO COCCC(=O)N1CCC(c2cc(C[NH+](C)C)n[nH]2)CC1 ZINC000019708940 356497047 /nfs/dbraw/zinc/49/70/47/356497047.db2.gz GDRKULBMPQMGNC-UHFFFAOYSA-N 1 1 294.399 1.214 40 0 CDABMO CC[C@@H](OC[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000022030810 356598044 /nfs/dbraw/zinc/59/80/44/356598044.db2.gz CPMNUFSZWYXFOX-DLBZAZTESA-N 1 1 292.423 1.763 40 0 CDABMO CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404220 356988994 /nfs/dbraw/zinc/98/89/94/356988994.db2.gz FGPBFSWYEDBUFL-MRXNPFEDSA-N 1 1 289.423 1.848 40 0 CDABMO CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CN ZINC000079404220 356988998 /nfs/dbraw/zinc/98/89/98/356988998.db2.gz FGPBFSWYEDBUFL-MRXNPFEDSA-N 1 1 289.423 1.848 40 0 CDABMO [NH3+]CC(=O)N(C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404283 356989954 /nfs/dbraw/zinc/98/99/54/356989954.db2.gz DTSKFXCOMNUXNM-HNNXBMFYSA-N 1 1 273.380 1.211 40 0 CDABMO NCC(=O)N(C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404283 356989957 /nfs/dbraw/zinc/98/99/57/356989957.db2.gz DTSKFXCOMNUXNM-HNNXBMFYSA-N 1 1 273.380 1.211 40 0 CDABMO O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](CC2CC2)C1 ZINC000096057666 358707247 /nfs/dbraw/zinc/70/72/47/358707247.db2.gz XDUYZXPRFBILFA-IACUBPJLSA-N 1 1 264.369 1.154 40 0 CDABMO C[NH+](C)Cc1cn2c(n1)CN(C(=O)c1ccoc1)CC2 ZINC000096197156 358716365 /nfs/dbraw/zinc/71/63/65/358716365.db2.gz GXWOVMURXNBANE-UHFFFAOYSA-N 1 1 274.324 1.194 40 0 CDABMO CN1CC[N@H+](Cc2ccncc2)Cc2cccnc21 ZINC000096198785 358717175 /nfs/dbraw/zinc/71/71/75/358717175.db2.gz KVUQVFFXHDFXBN-UHFFFAOYSA-N 1 1 254.337 1.929 40 0 CDABMO CN1CC[N@@H+](Cc2ccncc2)Cc2cccnc21 ZINC000096198785 358717178 /nfs/dbraw/zinc/71/71/78/358717178.db2.gz KVUQVFFXHDFXBN-UHFFFAOYSA-N 1 1 254.337 1.929 40 0 CDABMO Cc1ccc2c([nH+]1)N(C)CCN(C(=O)NC(C)C)C2 ZINC000096199009 358717255 /nfs/dbraw/zinc/71/72/55/358717255.db2.gz OSTYWKKWQASNAY-UHFFFAOYSA-N 1 1 262.357 1.760 40 0 CDABMO Cc1noc(C[C@]23COC[C@H]2C[N@@H+](Cc2ccco2)C3)n1 ZINC000096208265 358719994 /nfs/dbraw/zinc/71/99/94/358719994.db2.gz QFCLGFPFICMVFB-DOMZBBRYSA-N 1 1 289.335 1.662 40 0 CDABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(c1nnc(C)s1)CC2 ZINC000096220769 358722877 /nfs/dbraw/zinc/72/28/77/358722877.db2.gz VVKOOHPPVPWGNV-LBPRGKRZSA-N 1 1 296.440 1.784 40 0 CDABMO Cc1cccc(C)c1OCC(=O)N1CC[NH+](C)CC1 ZINC000046463120 359173097 /nfs/dbraw/zinc/17/30/97/359173097.db2.gz LSUCQWBOIMVPKR-UHFFFAOYSA-N 1 1 262.353 1.456 40 0 CDABMO CC(C)c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000058871678 359788410 /nfs/dbraw/zinc/78/84/10/359788410.db2.gz QSXATOGSLSLBOR-UHFFFAOYSA-N 1 1 276.380 1.963 40 0 CDABMO Cn1ccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1 ZINC000293537297 370677270 /nfs/dbraw/zinc/67/72/70/370677270.db2.gz CJNNHRQUGWEFTQ-QGZVFWFLSA-N 1 1 297.402 1.958 40 0 CDABMO CC[NH+]1CCN(C(=O)NCc2nccn2CC(C)C)CC1 ZINC000074536685 364441644 /nfs/dbraw/zinc/44/16/44/364441644.db2.gz IVJHVSMLQZCVAW-UHFFFAOYSA-N 1 1 293.415 1.386 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@@]1([NH3+])COC ZINC000218580184 373038536 /nfs/dbraw/zinc/03/85/36/373038536.db2.gz PHUVZNWYQZQNBN-UPJWGTAASA-N 1 1 287.356 1.070 40 0 CDABMO CCn1cc(C[NH2+]Cc2cnn(CC)c2F)cn1 ZINC000256050850 190002878 /nfs/dbraw/zinc/00/28/78/190002878.db2.gz GSKYLMVMOIUNSC-UHFFFAOYSA-N 1 1 251.309 1.548 40 0 CDABMO Cc1cc(N2CC[NH2+]CC2)nc(NC2CCCCC2)n1 ZINC000217507782 375660808 /nfs/dbraw/zinc/66/08/08/375660808.db2.gz CWPVCUGKAXITCX-UHFFFAOYSA-N 1 1 275.400 1.939 40 0 CDABMO Cc1nc(N2CCCCC2)cc(N2CC[NH2+]CC2)n1 ZINC000217508224 375661283 /nfs/dbraw/zinc/66/12/83/375661283.db2.gz QYMBBUGQRZLDOW-UHFFFAOYSA-N 1 1 261.373 1.185 40 0 CDABMO Cc1cc(C(=O)NCc2c[nH]c([C@H]3CC[N@H+](C)C3)n2)no1 ZINC000257225610 190015183 /nfs/dbraw/zinc/01/51/83/190015183.db2.gz FGZOBJLIAXLURD-JTQLQIEISA-N 1 1 289.339 1.055 40 0 CDABMO Cc1cc(C(=O)NCc2cnc([C@H]3CC[N@@H+](C)C3)[nH]2)no1 ZINC000257225610 190015184 /nfs/dbraw/zinc/01/51/84/190015184.db2.gz FGZOBJLIAXLURD-JTQLQIEISA-N 1 1 289.339 1.055 40 0 CDABMO Cc1cc(C(=O)NCc2cnc([C@H]3CC[N@H+](C)C3)[nH]2)no1 ZINC000257225610 190015185 /nfs/dbraw/zinc/01/51/85/190015185.db2.gz FGZOBJLIAXLURD-JTQLQIEISA-N 1 1 289.339 1.055 40 0 CDABMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccon2)C[C@H]1CC ZINC000133374580 375765793 /nfs/dbraw/zinc/76/57/93/375765793.db2.gz FDLXOUPNLOBFCS-GFCCVEGCSA-N 1 1 296.371 1.639 40 0 CDABMO CCOCC[N@H+]1CCN(C(=O)Nc2ccon2)C[C@H]1CC ZINC000133374580 375765796 /nfs/dbraw/zinc/76/57/96/375765796.db2.gz FDLXOUPNLOBFCS-GFCCVEGCSA-N 1 1 296.371 1.639 40 0 CDABMO Cc1nccc([C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000257337189 190036018 /nfs/dbraw/zinc/03/60/18/190036018.db2.gz YRUCTAOMWSOTON-LBPRGKRZSA-N 1 1 257.341 1.888 40 0 CDABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000257337189 190036019 /nfs/dbraw/zinc/03/60/19/190036019.db2.gz YRUCTAOMWSOTON-LBPRGKRZSA-N 1 1 257.341 1.888 40 0 CDABMO COc1cccc(CN2CCO[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC000063527649 378304095 /nfs/dbraw/zinc/30/40/95/378304095.db2.gz GCZJWEOPCPBICK-QGZVFWFLSA-N 1 1 290.407 1.992 40 0 CDABMO CCS(=O)(=O)[C@@H](CO)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000096525176 390539602 /nfs/dbraw/zinc/53/96/02/390539602.db2.gz VLANXVUVEXCGFH-WDEREUQCSA-N 1 1 277.773 1.135 40 0 CDABMO CN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc(Br)cc1 ZINC000072228263 390627338 /nfs/dbraw/zinc/62/73/38/390627338.db2.gz BNTXXYCWNCYPJH-IUCAKERBSA-N 1 1 255.115 1.290 40 0 CDABMO CN(C)C(=O)CCc1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000072382834 390628307 /nfs/dbraw/zinc/62/83/07/390628307.db2.gz PEVVCNZKFSDSSE-AWEZNQCLSA-N 1 1 261.369 1.869 40 0 CDABMO CN(C)CC[N@H+]1CCC[C@]12CCCN(c1cnccn1)C2 ZINC000096071425 398069567 /nfs/dbraw/zinc/06/95/67/398069567.db2.gz FSZJYMLHFCDXNV-INIZCTEOSA-N 1 1 289.427 1.473 40 0 CDABMO C[NH+](C)CCN1CCC[C@]12CCCN(c1cnccn1)C2 ZINC000096071425 398069570 /nfs/dbraw/zinc/06/95/70/398069570.db2.gz FSZJYMLHFCDXNV-INIZCTEOSA-N 1 1 289.427 1.473 40 0 CDABMO Cc1cc(Nc2ncccn2)nc([C@@H]2CC[N@H+](C)C2)n1 ZINC000072382345 176387918 /nfs/dbraw/zinc/38/79/18/176387918.db2.gz CYAXKUDIPZLWFH-LLVKDONJSA-N 1 1 270.340 1.738 40 0 CDABMO Nc1ccc(C[C@H]2CCC[N@@H+](CCc3ccncc3)C2)nn1 ZINC000072387354 176392621 /nfs/dbraw/zinc/39/26/21/176392621.db2.gz WPQCZGPNYCFSBM-OAHLLOKOSA-N 1 1 297.406 1.951 40 0 CDABMO CCO[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000076402190 177017684 /nfs/dbraw/zinc/01/76/84/177017684.db2.gz FAWLERHHMLOCOY-CQSZACIVSA-N 1 1 277.368 1.199 40 0 CDABMO CCO[C@@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000076402190 177017685 /nfs/dbraw/zinc/01/76/85/177017685.db2.gz FAWLERHHMLOCOY-CQSZACIVSA-N 1 1 277.368 1.199 40 0 CDABMO CN(C)c1[nH+]cc(CNC(=O)Cc2cccc(O)c2)n1C ZINC000077013427 177148718 /nfs/dbraw/zinc/14/87/18/177148718.db2.gz QVQGASBTMJCVLR-UHFFFAOYSA-N 1 1 288.351 1.051 40 0 CDABMO CO[C@H]1C[N@@H+](CC2CCOCC2)[C@@H]2CCCO[C@@H]21 ZINC000096057423 277343770 /nfs/dbraw/zinc/34/37/70/277343770.db2.gz OXRJCVGSQWTRCU-RDBSUJKOSA-N 1 1 255.358 1.291 40 0 CDABMO Cc1cn(C)c([C@@H]2C[N@@H+](C3CCOCC3)CCO2)n1 ZINC000257226245 279000224 /nfs/dbraw/zinc/00/02/24/279000224.db2.gz FJUHUPGBTFPMFB-ZDUSSCGKSA-N 1 1 265.357 1.281 40 0 CDABMO Cc1cn(C)c([C@@H]2C[N@H+](C3CCOCC3)CCO2)n1 ZINC000257226245 279000225 /nfs/dbraw/zinc/00/02/25/279000225.db2.gz FJUHUPGBTFPMFB-ZDUSSCGKSA-N 1 1 265.357 1.281 40 0 CDABMO Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000025503860 280916080 /nfs/dbraw/zinc/91/60/80/280916080.db2.gz LXEXRLXNGFEAIH-AWEZNQCLSA-N 1 1 250.342 1.100 40 0 CDABMO COc1ccc([C@H]([NH3+])c2nc(Cn3cccn3)n[nH]2)cc1 ZINC000095533698 185005713 /nfs/dbraw/zinc/00/57/13/185005713.db2.gz LGTXATPWLSTSNU-ZDUSSCGKSA-N 1 1 284.323 1.106 40 0 CDABMO CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096039321 185069441 /nfs/dbraw/zinc/06/94/41/185069441.db2.gz WPFGANVDWNSCQZ-JKSUJKDBSA-N 1 1 293.411 1.828 40 0 CDABMO COc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)CNC(=O)[C@H]2C ZINC000096043664 185070418 /nfs/dbraw/zinc/07/04/18/185070418.db2.gz NUIOZBBHYZBHMY-UBHSHLNASA-N 1 1 274.364 1.509 40 0 CDABMO O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+](CC1CC1)C2 ZINC000096048725 185073620 /nfs/dbraw/zinc/07/36/20/185073620.db2.gz ZLQIOQIMNNBPKX-MRXNPFEDSA-N 1 1 286.379 1.706 40 0 CDABMO CN(C)C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000096055844 185076121 /nfs/dbraw/zinc/07/61/21/185076121.db2.gz DCLIQPWIOUGKGS-UONOGXRCSA-N 1 1 274.368 1.412 40 0 CDABMO COCC[N@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099630 342212161 /nfs/dbraw/zinc/21/21/61/342212161.db2.gz SYWURVDQSPYVEB-CQSZACIVSA-N 1 1 295.408 1.214 40 0 CDABMO CC[C@H](C)N1C[C@]2(CCC[N@H+](Cc3nccn3C)C2)C1=O ZINC000585099359 342212277 /nfs/dbraw/zinc/21/22/77/342212277.db2.gz HMFNBGVAGBXIIB-XJKSGUPXSA-N 1 1 290.411 1.643 40 0 CDABMO CC[C@H](C)N1C[C@]2(CCC[N@@H+](Cc3nccn3C)C2)C1=O ZINC000585099359 342212278 /nfs/dbraw/zinc/21/22/78/342212278.db2.gz HMFNBGVAGBXIIB-XJKSGUPXSA-N 1 1 290.411 1.643 40 0 CDABMO CNC(=O)[C@]1(C)CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000585263090 342250762 /nfs/dbraw/zinc/25/07/62/342250762.db2.gz JOHICPVQVQRHTC-CQSZACIVSA-N 1 1 268.401 1.530 40 0 CDABMO CN(C)c1nc([C@H]2CCC[N@@H+](CCO)C2)cn2cccc12 ZINC000585178752 342232527 /nfs/dbraw/zinc/23/25/27/342232527.db2.gz FUWQQVAGUJYVDM-ZDUSSCGKSA-N 1 1 288.395 1.572 40 0 CDABMO OCC[N@H+]1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 ZINC000585269454 342255544 /nfs/dbraw/zinc/25/55/44/342255544.db2.gz VBTDTKHCWOBZFD-KBPBESRZSA-N 1 1 253.317 1.186 40 0 CDABMO CNC(=O)CC[C@]1(OC)CCC[N@@H+](Cc2[nH]cnc2C)C1 ZINC000585277693 342256371 /nfs/dbraw/zinc/25/63/71/342256371.db2.gz WZDZXPYPALZYRF-OAHLLOKOSA-N 1 1 294.399 1.225 40 0 CDABMO CO[C@]1(CCC(N)=O)CCC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000585277708 342256421 /nfs/dbraw/zinc/25/64/21/342256421.db2.gz XEITYOHVSKFRFU-INIZCTEOSA-N 1 1 291.395 1.637 40 0 CDABMO C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000091212123 180112179 /nfs/dbraw/zinc/11/21/79/180112179.db2.gz QNMXOMKUYYRTMR-HNNXBMFYSA-N 1 1 298.390 1.830 40 0 CDABMO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@H]2CCOC2)cn1 ZINC000107200023 186162804 /nfs/dbraw/zinc/16/28/04/186162804.db2.gz WBWFCBSQCFUTSX-BMFZPTHFSA-N 1 1 290.411 1.105 40 0 CDABMO C[NH+](C)[C@H](CNC(=O)NC1CCOCC1)c1ccco1 ZINC000062353439 363186899 /nfs/dbraw/zinc/18/68/99/363186899.db2.gz JWEVGPNXYZBSNG-GFCCVEGCSA-N 1 1 281.356 1.361 40 0 CDABMO CCN1C[C@@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)CC1=O ZINC000333948648 363256187 /nfs/dbraw/zinc/25/61/87/363256187.db2.gz WMTRQLQITOJZLA-QWRGUYRKSA-N 1 1 262.357 1.101 40 0 CDABMO COP(=O)(OC)[C@@]1(O)C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000005355931 363294577 /nfs/dbraw/zinc/29/45/77/363294577.db2.gz ANRNCSUBAGMGGV-BBBLOLIVSA-N 1 1 251.263 1.521 40 0 CDABMO O=C1N/C(=C/c2ccccc2)C(=O)N1C[NH+]1CCCC1 ZINC000001637150 355943045 /nfs/dbraw/zinc/94/30/45/355943045.db2.gz YWFZGMGVLRPMFC-JLHYYAGUSA-N 1 1 271.320 1.633 40 0 CDABMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000012396459 356297801 /nfs/dbraw/zinc/29/78/01/356297801.db2.gz FQHLJVSSOPTSPG-GFCCVEGCSA-N 1 1 251.330 1.195 40 0 CDABMO COc1cccc(C[N@H+]2CCc3nc(C)[nH]c(=O)c3C2)c1 ZINC000012733126 356320855 /nfs/dbraw/zinc/32/08/55/356320855.db2.gz NZLYXHUFIWKEMP-UHFFFAOYSA-N 1 1 285.347 1.645 40 0 CDABMO CCOC(=O)C[C@H](c1ccccc1)[C@@H]([NH3+])C(=O)OCC ZINC000019203261 356476245 /nfs/dbraw/zinc/47/62/45/356476245.db2.gz BZCRUBBKJPOKBI-TZMCWYRMSA-N 1 1 279.336 1.614 40 0 CDABMO C[NH+]1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000060526108 357442010 /nfs/dbraw/zinc/44/20/10/357442010.db2.gz OMTVRFQVGQPBSN-UHFFFAOYSA-N 1 1 250.317 1.532 40 0 CDABMO CNC(=O)NC(=O)CC[N@@H+](C)C1CCCCCC1 ZINC000040057122 283345125 /nfs/dbraw/zinc/34/51/25/283345125.db2.gz ROIZELHJGXPVBW-UHFFFAOYSA-N 1 1 255.362 1.487 40 0 CDABMO CC(C)[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000072685599 358563768 /nfs/dbraw/zinc/56/37/68/358563768.db2.gz QMOAVJOSEMEHCD-KBPBESRZSA-N 1 1 298.427 1.512 40 0 CDABMO CO[C@H]1CC[N@H+](CCN2CCCC2)[C@H]1Cc1cnn(C)c1 ZINC000096200618 358718224 /nfs/dbraw/zinc/71/82/24/358718224.db2.gz KCGDAQYTWPXXGV-HOTGVXAUSA-N 1 1 292.427 1.148 40 0 CDABMO CO[C@H]1CC[N@@H+](CCN2CCCC2)[C@H]1Cc1cnn(C)c1 ZINC000096200618 358718227 /nfs/dbraw/zinc/71/82/27/358718227.db2.gz KCGDAQYTWPXXGV-HOTGVXAUSA-N 1 1 292.427 1.148 40 0 CDABMO Cn1ccnc1CN1CC2(C1)CC[N@@H+](Cc1ccncc1)C2 ZINC000096202553 358719244 /nfs/dbraw/zinc/71/92/44/358719244.db2.gz BBAQZORJGIILNX-UHFFFAOYSA-N 1 1 297.406 1.523 40 0 CDABMO CN1CC[N@@H+](Cc2cccs2)C[C@]2(CCCC(=O)N2)C1 ZINC000096238338 358723931 /nfs/dbraw/zinc/72/39/31/358723931.db2.gz WJVRXZLBNFFSDE-HNNXBMFYSA-N 1 1 293.436 1.534 40 0 CDABMO C[N@@H+]1CCN(Cc2cccs2)C[C@]2(CCCC(=O)N2)C1 ZINC000096238338 358723935 /nfs/dbraw/zinc/72/39/35/358723935.db2.gz WJVRXZLBNFFSDE-HNNXBMFYSA-N 1 1 293.436 1.534 40 0 CDABMO C[N@H+]1CCN(Cc2cccs2)C[C@]2(CCCC(=O)N2)C1 ZINC000096238338 358723937 /nfs/dbraw/zinc/72/39/37/358723937.db2.gz WJVRXZLBNFFSDE-HNNXBMFYSA-N 1 1 293.436 1.534 40 0 CDABMO CC[N@H+]1CCOC[C@@]2(CCCN(c3nncs3)C2)C1 ZINC000096229357 358724167 /nfs/dbraw/zinc/72/41/67/358724167.db2.gz GJLTVYVIORXLQH-ZDUSSCGKSA-N 1 1 282.413 1.477 40 0 CDABMO c1nnc(N2C[C@H]3CC[N@H+](CC4CC4)C[C@@H]3C2)s1 ZINC000096249177 358726894 /nfs/dbraw/zinc/72/68/94/358726894.db2.gz OFWHCFDXGDSYQG-VXGBXAGGSA-N 1 1 264.398 1.706 40 0 CDABMO CC[N@H+]1C[C@H]2CN(C(=O)Nc3ccccc3C)C[C@@H](C1)O2 ZINC000096252591 358727459 /nfs/dbraw/zinc/72/74/59/358727459.db2.gz ADBZLNJQEXLBAE-OKILXGFUSA-N 1 1 289.379 1.932 40 0 CDABMO CC[N@@H+]1C[C@H]2CN(C(=O)Nc3ccccc3C)C[C@@H](C1)O2 ZINC000096252591 358727461 /nfs/dbraw/zinc/72/74/61/358727461.db2.gz ADBZLNJQEXLBAE-OKILXGFUSA-N 1 1 289.379 1.932 40 0 CDABMO c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC2CC2)co1 ZINC000096252536 358727875 /nfs/dbraw/zinc/72/78/75/358727875.db2.gz KUHSNIMUAXLXNR-GASCZTMLSA-N 1 1 262.353 1.575 40 0 CDABMO c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC2CC2)co1 ZINC000096252536 358727877 /nfs/dbraw/zinc/72/78/77/358727877.db2.gz KUHSNIMUAXLXNR-GASCZTMLSA-N 1 1 262.353 1.575 40 0 CDABMO Cc1ccc(C)c(NC(=O)CN2CC[NH+](C)CC2)c1 ZINC000023253639 359217984 /nfs/dbraw/zinc/21/79/84/359217984.db2.gz BTBHTOYEZYQNHM-UHFFFAOYSA-N 1 1 261.369 1.489 40 0 CDABMO CCc1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000025778568 359397415 /nfs/dbraw/zinc/39/74/15/359397415.db2.gz NQTUYDZELRTBSS-UHFFFAOYSA-N 1 1 260.381 1.956 40 0 CDABMO C[N@@H+](CCNc1ncnc2nc[nH]c21)Cc1ccccc1 ZINC000000213922 364095364 /nfs/dbraw/zinc/09/53/64/364095364.db2.gz MPRFAIWXWQJZEY-UHFFFAOYSA-N 1 1 282.351 1.897 40 0 CDABMO C[N@H+](CCNc1ncnc2[nH]cnc21)Cc1ccccc1 ZINC000000213922 364095369 /nfs/dbraw/zinc/09/53/69/364095369.db2.gz MPRFAIWXWQJZEY-UHFFFAOYSA-N 1 1 282.351 1.897 40 0 CDABMO C[N@@H+](CCNc1ncnc2[nH]cnc21)Cc1ccccc1 ZINC000000213922 364095375 /nfs/dbraw/zinc/09/53/75/364095375.db2.gz MPRFAIWXWQJZEY-UHFFFAOYSA-N 1 1 282.351 1.897 40 0 CDABMO CC(C)COCC[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000225720304 375189636 /nfs/dbraw/zinc/18/96/36/375189636.db2.gz NNBIPYOTTADLRA-CQSZACIVSA-N 1 1 270.417 1.896 40 0 CDABMO COc1cc(C[NH2+]Cc2ccn(CCF)n2)ccc1O ZINC000256053836 190004796 /nfs/dbraw/zinc/00/47/96/190004796.db2.gz TWAMOBGOSYMIHD-UHFFFAOYSA-N 1 1 279.315 1.857 40 0 CDABMO Cc1cc(C[NH2+]Cc2ccnn2C(F)F)n(C)n1 ZINC000256050598 190002880 /nfs/dbraw/zinc/00/28/80/190002880.db2.gz FRMUJFZRKJAUQA-UHFFFAOYSA-N 1 1 255.272 1.610 40 0 CDABMO CN(C)c1ncc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)cn1 ZINC000257225594 190015752 /nfs/dbraw/zinc/01/57/52/190015752.db2.gz FGXOYQRMILCGRT-LBPRGKRZSA-N 1 1 272.356 1.255 40 0 CDABMO CN1CCC([N@@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257260957 190021997 /nfs/dbraw/zinc/02/19/97/190021997.db2.gz LFESSZWKKMRGCQ-HZPDHXFCSA-N 1 1 294.370 1.344 40 0 CDABMO CN1CCC([N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257260957 190021998 /nfs/dbraw/zinc/02/19/98/190021998.db2.gz LFESSZWKKMRGCQ-HZPDHXFCSA-N 1 1 294.370 1.344 40 0 CDABMO Cc1cc(-c2ccnn2C)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257312884 190031600 /nfs/dbraw/zinc/03/16/00/190031600.db2.gz UQAYIPFFXAKSPO-ZDUSSCGKSA-N 1 1 257.341 1.952 40 0 CDABMO Cc1cc(-c2ccnn2C)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000257312884 190031601 /nfs/dbraw/zinc/03/16/01/190031601.db2.gz UQAYIPFFXAKSPO-ZDUSSCGKSA-N 1 1 257.341 1.952 40 0 CDABMO Cc1ccccc1-c1noc([C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC000257320639 190033325 /nfs/dbraw/zinc/03/33/25/190033325.db2.gz VXRZIACLXLLGGM-NSHDSACASA-N 1 1 286.335 1.320 40 0 CDABMO Cc1ccccc1-c1noc([C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC000257320639 190033326 /nfs/dbraw/zinc/03/33/26/190033326.db2.gz VXRZIACLXLLGGM-NSHDSACASA-N 1 1 286.335 1.320 40 0 CDABMO CC(C)N(C(=O)CN)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404254 390421479 /nfs/dbraw/zinc/42/14/79/390421479.db2.gz MSXANNZUDCQRGW-MRXNPFEDSA-N 1 1 289.423 1.847 40 0 CDABMO CC(C)N(C(=O)CN)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404254 390421482 /nfs/dbraw/zinc/42/14/82/390421482.db2.gz MSXANNZUDCQRGW-MRXNPFEDSA-N 1 1 289.423 1.847 40 0 CDABMO COCC[C@H]1CO[C@@]2(CC[N@@H+](Cc3[nH]cnc3C)C2)C1 ZINC000107784980 390587084 /nfs/dbraw/zinc/58/70/84/390587084.db2.gz ANNNFYNOQVMSNQ-HIFRSBDPSA-N 1 1 279.384 1.736 40 0 CDABMO CC[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216334 390621258 /nfs/dbraw/zinc/62/12/58/390621258.db2.gz JRNKERXKHOBHML-AWEZNQCLSA-N 1 1 260.385 1.648 40 0 CDABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000072227364 390625979 /nfs/dbraw/zinc/62/59/79/390625979.db2.gz NZHJLUDLENUZJT-HUUCEWRRSA-N 1 1 282.299 1.831 40 0 CDABMO COC(=O)c1cccc(NC(=O)C[NH+]2CCCCC2)c1 ZINC000005660653 170124906 /nfs/dbraw/zinc/12/49/06/170124906.db2.gz TZSGEFJQAOMFKZ-UHFFFAOYSA-N 1 1 276.336 1.898 40 0 CDABMO CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000022250970 171382424 /nfs/dbraw/zinc/38/24/24/171382424.db2.gz XYLXIRWUYDBTQW-UHFFFAOYSA-N 1 1 290.363 1.164 40 0 CDABMO CNC(=O)c1cccc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072355748 176374978 /nfs/dbraw/zinc/37/49/78/176374978.db2.gz NEENHGMLKXTOCK-HNNXBMFYSA-N 1 1 289.379 1.757 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(Cl)c1 ZINC000072397649 176394947 /nfs/dbraw/zinc/39/49/47/176394947.db2.gz ITXBMAQQUQPOCO-BYCMXARLSA-N 1 1 280.799 1.979 40 0 CDABMO CNC(=O)c1cccc(CCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC000077124464 177226923 /nfs/dbraw/zinc/22/69/23/177226923.db2.gz QPPYYFFEMLYKNR-UHFFFAOYSA-N 1 1 291.395 1.045 40 0 CDABMO O=C1[C@H]2Cc3ccccc3CN2C(=O)N1C[NH+]1CCCCC1 ZINC000073257328 275031001 /nfs/dbraw/zinc/03/10/01/275031001.db2.gz JOXGDXPHRUSJGU-OAHLLOKOSA-N 1 1 299.374 1.819 40 0 CDABMO O=c1[nH]c(N2CC[N@H+]3CCC[C@@H]3C2)nc2ccccc21 ZINC000072207522 275062045 /nfs/dbraw/zinc/06/20/45/275062045.db2.gz WIGUXPUMEWFJAL-LLVKDONJSA-N 1 1 270.336 1.620 40 0 CDABMO C1=C(N2CCOCC2)CCC([NH+]2CCOCC2)=C1 ZINC000031719477 275411410 /nfs/dbraw/zinc/41/14/10/275411410.db2.gz LFEJYXWRYNZOKS-UHFFFAOYSA-N 1 1 250.342 1.212 40 0 CDABMO CC[NH+](CC)Cc1cnc2n1CCN([C@@H]1CCOC1)CC2 ZINC000096067882 279138975 /nfs/dbraw/zinc/13/89/75/279138975.db2.gz YDETXXVEMPSNBD-CQSZACIVSA-N 1 1 292.427 1.372 40 0 CDABMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cn(C)nn1 ZINC000235546566 525818099 /nfs/dbraw/zinc/81/80/99/525818099.db2.gz BROGULXAPOOAFX-WCQYABFASA-N 1 1 252.362 1.331 40 0 CDABMO CCNc1ncc(C2=[NH+]O[C@](C)(C(=O)OCC)C2)cn1 ZINC000226084055 1161389214 /nfs/dbraw/zinc/38/92/14/1161389214.db2.gz UUXVVANNNBGPCL-ZDUSSCGKSA-N 1 1 278.312 1.355 40 0 CDABMO CCOc1ccc([C@@H]([NH3+])c2nc(C)n(C)n2)cc1OCC ZINC000095534637 185005736 /nfs/dbraw/zinc/00/57/36/185005736.db2.gz PWIVVMJWOONSHD-CQSZACIVSA-N 1 1 290.367 1.969 40 0 CDABMO COc1cccc([C@H]([NH3+])c2nc(-c3cccnc3)n[nH]2)c1 ZINC000095533534 185007029 /nfs/dbraw/zinc/00/70/29/185007029.db2.gz GBYFTDREOPYYMS-ZDUSSCGKSA-N 1 1 281.319 1.923 40 0 CDABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccnc3)CC2)N1 ZINC000096047458 185073018 /nfs/dbraw/zinc/07/30/18/185073018.db2.gz UQWFFBMPUQGSAT-OAHLLOKOSA-N 1 1 259.353 1.716 40 0 CDABMO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000096056493 185077737 /nfs/dbraw/zinc/07/77/37/185077737.db2.gz HDKUMMVNROSAKJ-HUUCEWRRSA-N 1 1 289.379 1.293 40 0 CDABMO CC[N@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096066313 185083938 /nfs/dbraw/zinc/08/39/38/185083938.db2.gz BLACWVBGXDASPP-YUTCNCBUSA-N 1 1 275.352 1.519 40 0 CDABMO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)Cc3cccs3)C[C@H]21 ZINC000096081681 185091573 /nfs/dbraw/zinc/09/15/73/185091573.db2.gz JZQSCWKIYVWXDV-KGLIPLIRSA-N 1 1 294.420 1.611 40 0 CDABMO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)Cc3cccs3)C[C@H]21 ZINC000096081681 185091574 /nfs/dbraw/zinc/09/15/74/185091574.db2.gz JZQSCWKIYVWXDV-KGLIPLIRSA-N 1 1 294.420 1.611 40 0 CDABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)N(C)C)[C@@H]2C ZINC000096087585 185093356 /nfs/dbraw/zinc/09/33/56/185093356.db2.gz GLQQSWBMDPCPHT-GFCCVEGCSA-N 1 1 293.415 1.782 40 0 CDABMO Cn1cc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)cn1 ZINC000096110629 185100989 /nfs/dbraw/zinc/10/09/89/185100989.db2.gz JNNFXHYLKZATFK-IAGOWNOFSA-N 1 1 297.406 1.379 40 0 CDABMO CN1C[C@H]2CC[N@@H+](Cc3ccccc3)CC[C@H]2S1(=O)=O ZINC000096145587 185106214 /nfs/dbraw/zinc/10/62/14/185106214.db2.gz PUAWBAJYSOXXFC-HUUCEWRRSA-N 1 1 294.420 1.542 40 0 CDABMO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCC[N@H+]1C ZINC000585180137 342232570 /nfs/dbraw/zinc/23/25/70/342232570.db2.gz LYEKQFXKCBKZEO-GFCCVEGCSA-N 1 1 287.367 1.588 40 0 CDABMO CCOCC[N@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269282 342254610 /nfs/dbraw/zinc/25/46/10/342254610.db2.gz OGJHOKAUMVUZFJ-MRXNPFEDSA-N 1 1 279.380 1.929 40 0 CDABMO CO[C@H]1C[N@H+](Cc2ncccc2F)C[C@@H]1CC(=O)N(C)C ZINC000585276235 342256204 /nfs/dbraw/zinc/25/62/04/342256204.db2.gz DZKCWVGSEFTDNW-FZMZJTMJSA-N 1 1 295.358 1.146 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ncccc2F)C[C@@H]1CC(=O)N(C)C ZINC000585276235 342256205 /nfs/dbraw/zinc/25/62/05/342256205.db2.gz DZKCWVGSEFTDNW-FZMZJTMJSA-N 1 1 295.358 1.146 40 0 CDABMO C[C@@]1(C(N)=O)CCC[N@@H+](CC2(O)CCCCCC2)C1 ZINC000585283337 342258525 /nfs/dbraw/zinc/25/85/25/342258525.db2.gz NODBLQHMPRQFHW-CQSZACIVSA-N 1 1 268.401 1.659 40 0 CDABMO NC(=O)C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000074402034 362054903 /nfs/dbraw/zinc/05/49/03/362054903.db2.gz VJCCNSBFWZXRLD-UHFFFAOYSA-N 1 1 287.157 1.739 40 0 CDABMO CO[C@@H]1CSC2(C[NH+](Cc3c(C)noc3C)C2)C1 ZINC000247847933 362135510 /nfs/dbraw/zinc/13/55/10/362135510.db2.gz NNSCXPUCMTZFIV-NSHDSACASA-N 1 1 268.382 1.998 40 0 CDABMO COC(=O)[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000012648533 356315783 /nfs/dbraw/zinc/31/57/83/356315783.db2.gz QHQABJVSGUGKSW-WDEREUQCSA-N 1 1 286.372 1.395 40 0 CDABMO Cc1nnc2n1[C@H]1C[N@H+](Cc3cnc(C)nc3)C[C@H]1CC2 ZINC000019287267 356479933 /nfs/dbraw/zinc/47/99/33/356479933.db2.gz WBLUHGYFZNCPIW-KGLIPLIRSA-N 1 1 284.367 1.304 40 0 CDABMO CCc1ncc(C[N@H+]2CCCC[C@H]2CCNC(C)=O)cn1 ZINC000019745880 356498854 /nfs/dbraw/zinc/49/88/54/356498854.db2.gz DLLITCOBJWUFFJ-HNNXBMFYSA-N 1 1 290.411 1.920 40 0 CDABMO CC(C)c1noc(N2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000328799851 202063984 /nfs/dbraw/zinc/06/39/84/202063984.db2.gz XYUVBLWIOIXWTI-JTQLQIEISA-N 1 1 261.329 1.920 40 0 CDABMO CC[C@H](OC[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000022030806 356597917 /nfs/dbraw/zinc/59/79/17/356597917.db2.gz CPMNUFSZWYXFOX-IRXDYDNUSA-N 1 1 292.423 1.763 40 0 CDABMO C[NH+](C)CC(=O)Nc1cccnc1OCC(F)F ZINC000135222795 357792390 /nfs/dbraw/zinc/79/23/90/357792390.db2.gz RAONPKJWALHFHY-UHFFFAOYSA-N 1 1 259.256 1.226 40 0 CDABMO C[N@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC000096159961 358711179 /nfs/dbraw/zinc/71/11/79/358711179.db2.gz QDTIAMQSMWYUHL-DZGCQCFKSA-N 1 1 262.353 1.961 40 0 CDABMO CO[C@H]1CC[N@@H+](C)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096217151 358721478 /nfs/dbraw/zinc/72/14/78/358721478.db2.gz ZNLIDARQVRMBQI-MJBXVCDLSA-N 1 1 281.425 1.602 40 0 CDABMO CC[N@H+]1CCO[C@@H]2CN(C(=O)c3cccn3C)CC[C@@H]2C1 ZINC000096249566 358726784 /nfs/dbraw/zinc/72/67/84/358726784.db2.gz ZKUXIPBVKKPGJS-UKRRQHHQSA-N 1 1 291.395 1.208 40 0 CDABMO Cc1ccc2c([nH+]1)N(C)CCN(C(=O)[C@H]1CCCO1)C2 ZINC000096260862 358729786 /nfs/dbraw/zinc/72/97/86/358729786.db2.gz OSVWDOPUDXPRLA-CYBMUJFWSA-N 1 1 275.352 1.347 40 0 CDABMO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000242575091 364572862 /nfs/dbraw/zinc/57/28/62/364572862.db2.gz NRVJIGPEPQOZII-SHTZXODSSA-N 1 1 275.396 1.505 40 0 CDABMO COCc1noc([C@@H](C)N2CC[N@H+](C3CC3)C[C@H](C)C2)n1 ZINC000333449454 205329259 /nfs/dbraw/zinc/32/92/59/205329259.db2.gz RKEPFNQLFHPMRT-VXGBXAGGSA-N 1 1 294.399 1.693 40 0 CDABMO Cc1cc(N)cc([C@H]2CN(Cc3ccnc(C)n3)CCO2)[nH+]1 ZINC000257266767 190023464 /nfs/dbraw/zinc/02/34/64/190023464.db2.gz MELNJRDQCYKTHB-MRXNPFEDSA-N 1 1 299.378 1.644 40 0 CDABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](c2n[nH]cc2C)C1 ZINC000257266612 190023478 /nfs/dbraw/zinc/02/34/78/190023478.db2.gz MDSFGPXXEPFYDP-LBPRGKRZSA-N 1 1 287.367 1.493 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nccc(C)n3)C2)CC1 ZINC000257333303 190035537 /nfs/dbraw/zinc/03/55/37/190035537.db2.gz YBALMMPAUMWYJU-AWEZNQCLSA-N 1 1 288.395 1.585 40 0 CDABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@@H+]3CCO)n2)n1 ZINC000257341642 190036764 /nfs/dbraw/zinc/03/67/64/190036764.db2.gz ZLGYGJGNZNLIJC-CYBMUJFWSA-N 1 1 287.367 1.613 40 0 CDABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@H+]3CCO)n2)n1 ZINC000257341642 190036765 /nfs/dbraw/zinc/03/67/65/190036765.db2.gz ZLGYGJGNZNLIJC-CYBMUJFWSA-N 1 1 287.367 1.613 40 0 CDABMO CC(C)CC[N@H+]1C[C@@H]2[C@@H](C1)N(C)C(=O)c1cccn12 ZINC000306123448 392105081 /nfs/dbraw/zinc/10/50/81/392105081.db2.gz ANEFRZGDMJIKNJ-ZIAGYGMSSA-N 1 1 261.369 1.845 40 0 CDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000306123097 392106525 /nfs/dbraw/zinc/10/65/25/392106525.db2.gz AEIMMDQKHJRTPC-MGPQQGTHSA-N 1 1 280.412 1.602 40 0 CDABMO NC(=O)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000072350986 176373951 /nfs/dbraw/zinc/37/39/51/176373951.db2.gz JAQTTYDWILZJOH-UHFFFAOYSA-N 1 1 252.289 1.154 40 0 CDABMO COCCN(C)c1cc(C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365219 176380384 /nfs/dbraw/zinc/38/03/84/176380384.db2.gz VRQWUJNXXYEBAL-CYBMUJFWSA-N 1 1 278.400 1.677 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccccc1Cl ZINC000072397582 176395114 /nfs/dbraw/zinc/39/51/14/176395114.db2.gz GVAKMIRFGJFDNU-IACUBPJLSA-N 1 1 280.799 1.979 40 0 CDABMO COC[C@@H](O)C[N@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000077658025 177291617 /nfs/dbraw/zinc/29/16/17/177291617.db2.gz LSBLPFMUWMSGAU-WBVHZDCISA-N 1 1 292.423 1.590 40 0 CDABMO COC[C@@H](O)CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000077658025 177291619 /nfs/dbraw/zinc/29/16/19/177291619.db2.gz LSBLPFMUWMSGAU-WBVHZDCISA-N 1 1 292.423 1.590 40 0 CDABMO COC[C@@H](O)CN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000077658025 177291620 /nfs/dbraw/zinc/29/16/20/177291620.db2.gz LSBLPFMUWMSGAU-WBVHZDCISA-N 1 1 292.423 1.590 40 0 CDABMO CNC(=O)[C@@]1(C)C[N@H+](C2CCCCCC2)CCO1 ZINC000072379689 277011093 /nfs/dbraw/zinc/01/10/93/277011093.db2.gz RYFFUGPWMJVHKD-CQSZACIVSA-N 1 1 254.374 1.546 40 0 CDABMO CC(C)Nc1ncc(C2=[NH+]O[C@H](C(=O)OC(C)C)C2)cn1 ZINC000226080639 1160425382 /nfs/dbraw/zinc/42/53/82/1160425382.db2.gz BCYQFOMBPXITIJ-LBPRGKRZSA-N 1 1 292.339 1.742 40 0 CDABMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cn(C)nn1 ZINC000235256707 525838885 /nfs/dbraw/zinc/83/88/85/525838885.db2.gz BROGULXAPOOAFX-DGCLKSJQSA-N 1 1 252.362 1.331 40 0 CDABMO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H]2CCOC2)nc1 ZINC000096184840 342557848 /nfs/dbraw/zinc/55/78/48/342557848.db2.gz SZIXKWICPMXPSQ-MJBXVCDLSA-N 1 1 274.368 1.166 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042690 185070871 /nfs/dbraw/zinc/07/08/71/185070871.db2.gz FRXGJRQEYCFMJV-BFHYXJOUSA-N 1 1 278.352 1.347 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042690 185070872 /nfs/dbraw/zinc/07/08/72/185070872.db2.gz FRXGJRQEYCFMJV-BFHYXJOUSA-N 1 1 278.352 1.347 40 0 CDABMO O=C(NCC1CC1)[C@H]1C[N@@H+](CC2CC2)CC12CCOCC2 ZINC000096052162 185075101 /nfs/dbraw/zinc/07/51/01/185075101.db2.gz WSRYZEBDAXREJG-OAHLLOKOSA-N 1 1 292.423 1.651 40 0 CDABMO CN(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053840 185076135 /nfs/dbraw/zinc/07/61/35/185076135.db2.gz XEBIEWPGBGCTRB-BETUJISGSA-N 1 1 274.368 1.127 40 0 CDABMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]21 ZINC000096058274 185079216 /nfs/dbraw/zinc/07/92/16/185079216.db2.gz ZWDYKIBPKAKUDN-HZSPNIEDSA-N 1 1 294.420 1.721 40 0 CDABMO O=C(c1ccco1)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC000096071620 185086850 /nfs/dbraw/zinc/08/68/50/185086850.db2.gz XEGPTIOLYAWLKI-OAHLLOKOSA-N 1 1 278.352 1.200 40 0 CDABMO Cn1cccc1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccoc1)C2 ZINC000096070932 185087318 /nfs/dbraw/zinc/08/73/18/185087318.db2.gz SEEQXZQVGCNJIM-UHFFFAOYSA-N 1 1 299.374 1.966 40 0 CDABMO c1cc(CN2CCC3(CC2)COCC[N@@H+]3CC2CC2)n[nH]1 ZINC000096074632 185088388 /nfs/dbraw/zinc/08/83/88/185088388.db2.gz LYCJQWNKQVXXIX-UHFFFAOYSA-N 1 1 290.411 1.487 40 0 CDABMO Cc1nc(C)c2c(n1)CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096083772 185092914 /nfs/dbraw/zinc/09/29/14/185092914.db2.gz DHROUORSLRDHAU-UHFFFAOYSA-N 1 1 271.368 1.428 40 0 CDABMO CC[N@H+]1CCO[C@@H]2CN(C(=O)C3CC(F)C3)CC[C@@H]2C1 ZINC000585107946 342213347 /nfs/dbraw/zinc/21/33/47/342213347.db2.gz IGSXUDNMOVSVQZ-BLYZHGLHSA-N 1 1 284.375 1.304 40 0 CDABMO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CN(C)C3=O)C2)s1 ZINC000585099324 342212102 /nfs/dbraw/zinc/21/21/02/342212102.db2.gz DYKRKFKSFAQHJV-CQSZACIVSA-N 1 1 279.409 1.814 40 0 CDABMO COC[C@@]1(CC(N)=O)CCC[N@H+]1Cc1cc(F)ccc1F ZINC000585275983 342256276 /nfs/dbraw/zinc/25/62/76/342256276.db2.gz CHZQKXVKOXTMRE-HNNXBMFYSA-N 1 1 298.333 1.821 40 0 CDABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2CC1(O)CCCC1 ZINC000585285560 342258674 /nfs/dbraw/zinc/25/86/74/342258674.db2.gz ZVVSGXQANUQJCG-HUUCEWRRSA-N 1 1 280.412 1.767 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)CCCc2ccccc2)[C@@H]1O ZINC000585290949 342258897 /nfs/dbraw/zinc/25/88/97/342258897.db2.gz JHNVNNUMRJBZMR-OAGGEKHMSA-N 1 1 279.380 1.326 40 0 CDABMO CCn1nccc1C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000221366406 342302047 /nfs/dbraw/zinc/30/20/47/342302047.db2.gz FQDGPIADCAUKGN-WFASDCNBSA-N 1 1 277.368 1.678 40 0 CDABMO COC[C@H]1CC[N@H+](C)C2(CN(c3nnc(C)s3)C2)C1 ZINC000248101812 362149463 /nfs/dbraw/zinc/14/94/63/362149463.db2.gz DYFWEWOGQVVCKW-NSHDSACASA-N 1 1 282.413 1.394 40 0 CDABMO COC[C@H]1CC[N@@H+](C)C2(CN(c3nnc(C)s3)C2)C1 ZINC000248101812 362149465 /nfs/dbraw/zinc/14/94/65/362149465.db2.gz DYFWEWOGQVVCKW-NSHDSACASA-N 1 1 282.413 1.394 40 0 CDABMO O=C1CCC(=O)N1OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253489910 342429677 /nfs/dbraw/zinc/42/96/77/342429677.db2.gz GUWLFGRHKJHZOJ-VXGBXAGGSA-N 1 1 266.341 1.332 40 0 CDABMO c1ccc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000253588521 362440205 /nfs/dbraw/zinc/44/02/05/362440205.db2.gz GIIGNWXDMJMFCV-IRXDYDNUSA-N 1 1 287.407 1.767 40 0 CDABMO COCCO[C@H]1COCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000085436033 179063075 /nfs/dbraw/zinc/06/30/75/179063075.db2.gz BZHBAYKHPZBZQN-MRXNPFEDSA-N 1 1 295.379 1.559 40 0 biogenic,in-vitro CDABMO C[C@@H](CC[N@H+]1CCN2C(=O)NC[C@H]2C1)c1ccccc1 ZINC000225580838 366072506 /nfs/dbraw/zinc/07/25/06/366072506.db2.gz MEMUXWHMRHTWFB-ZFWWWQNUSA-N 1 1 273.380 1.890 40 0 CDABMO COCCn1nnnc1[C@@H](C(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000004230615 363206155 /nfs/dbraw/zinc/20/61/55/363206155.db2.gz ZMZONOIDJMWUHZ-QWHCGFSZSA-N 1 1 281.404 1.749 40 0 CDABMO CCC[NH+]1CCN(C(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC000057605182 357362863 /nfs/dbraw/zinc/36/28/63/357362863.db2.gz LFLJMRZMOLPCKV-UHFFFAOYSA-N 1 1 299.378 1.640 40 0 CDABMO CC[NH+]1CCN(C(=O)c2cc(C)ccc2OC)CC1 ZINC000061469139 357455629 /nfs/dbraw/zinc/45/56/29/357455629.db2.gz XJHBEERWIMVFHM-UHFFFAOYSA-N 1 1 262.353 1.781 40 0 CDABMO C[N@@H+]1CCc2ncc(CNc3ccccn3)n2CC1 ZINC000096197118 358716101 /nfs/dbraw/zinc/71/61/01/358716101.db2.gz OANDGRJIDWGRAM-UHFFFAOYSA-N 1 1 257.341 1.378 40 0 CDABMO Cc1n[nH]c(C[C@@H]2OC[C@H]3C[N@H+](C4CCC4)CC[C@H]32)n1 ZINC000096218708 358722203 /nfs/dbraw/zinc/72/22/03/358722203.db2.gz HWLLVRLFVJWAFY-BNOWGMLFSA-N 1 1 276.384 1.545 40 0 CDABMO Cc1nnc(C[C@@H]2OC[C@H]3C[N@@H+](C4CCC4)CC[C@H]32)[nH]1 ZINC000096218708 358722207 /nfs/dbraw/zinc/72/22/07/358722207.db2.gz HWLLVRLFVJWAFY-BNOWGMLFSA-N 1 1 276.384 1.545 40 0 CDABMO Cc1nnc(C[C@@H]2OC[C@H]3C[N@H+](C4CCC4)CC[C@H]32)[nH]1 ZINC000096218708 358722211 /nfs/dbraw/zinc/72/22/11/358722211.db2.gz HWLLVRLFVJWAFY-BNOWGMLFSA-N 1 1 276.384 1.545 40 0 CDABMO Cc1nc(C[C@@H]2OC[C@H]3C[N@@H+](C4CCC4)CC[C@H]32)n[nH]1 ZINC000096218708 358722214 /nfs/dbraw/zinc/72/22/14/358722214.db2.gz HWLLVRLFVJWAFY-BNOWGMLFSA-N 1 1 276.384 1.545 40 0 CDABMO Cc1nc(C[C@@H]2OC[C@H]3C[N@H+](C4CCC4)CC[C@H]32)n[nH]1 ZINC000096218708 358722216 /nfs/dbraw/zinc/72/22/16/358722216.db2.gz HWLLVRLFVJWAFY-BNOWGMLFSA-N 1 1 276.384 1.545 40 0 CDABMO CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cncn1C)C2 ZINC000096229845 358724223 /nfs/dbraw/zinc/72/42/23/358724223.db2.gz KTTHFZACPBRBDO-MRXNPFEDSA-N 1 1 290.411 1.787 40 0 CDABMO CC1=N[C@@]2(CC[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)C(=O)N1C ZINC000096261413 358729596 /nfs/dbraw/zinc/72/95/96/358729596.db2.gz KMHJMKSXALUHQX-VNHYZAJKSA-N 1 1 263.385 1.613 40 0 CDABMO C[C@H]1C[NH+](CCNC(=O)CC2(O)CCCCC2)C[C@H](C)O1 ZINC000072845967 358736005 /nfs/dbraw/zinc/73/60/05/358736005.db2.gz AQLAVQVUXRVWJY-KBPBESRZSA-N 1 1 298.427 1.297 40 0 CDABMO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[NH+](C)CC1 ZINC000022931201 359143576 /nfs/dbraw/zinc/14/35/76/359143576.db2.gz ULCMUCMZJIMHJG-BETUJISGSA-N 1 1 253.390 1.023 40 0 CDABMO COCc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)o1 ZINC000331658130 204049199 /nfs/dbraw/zinc/04/91/99/204049199.db2.gz PTXDOOZGUPHIID-UHFFFAOYSA-N 1 1 267.329 1.012 40 0 CDABMO COCc1ccc(C[N@H+]2CCCN(C(N)=O)CC2)o1 ZINC000331658130 204049201 /nfs/dbraw/zinc/04/92/01/204049201.db2.gz PTXDOOZGUPHIID-UHFFFAOYSA-N 1 1 267.329 1.012 40 0 CDABMO CCOC[C@]1([NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218478238 372869481 /nfs/dbraw/zinc/86/94/81/372869481.db2.gz PKVABHMPCAGJPH-ILXRZTDVSA-N 1 1 297.420 1.630 40 0 CDABMO Cc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1O ZINC000225425835 374359973 /nfs/dbraw/zinc/35/99/73/374359973.db2.gz CZGBNGIDXJFIIE-OLZOCXBDSA-N 1 1 292.379 1.228 40 0 CDABMO Cc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1O ZINC000225425835 374359977 /nfs/dbraw/zinc/35/99/77/374359977.db2.gz CZGBNGIDXJFIIE-OLZOCXBDSA-N 1 1 292.379 1.228 40 0 CDABMO CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CCOC(C)C ZINC000078923071 374740948 /nfs/dbraw/zinc/74/09/48/374740948.db2.gz CXRBGDSSWJNQEN-ZDUSSCGKSA-N 1 1 299.415 1.502 40 0 CDABMO COC(=O)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000079310091 374789528 /nfs/dbraw/zinc/78/95/28/374789528.db2.gz FYVZEKKLXOVBBT-LBPRGKRZSA-N 1 1 278.352 1.186 40 0 CDABMO COC(=O)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000079310091 374789534 /nfs/dbraw/zinc/78/95/34/374789534.db2.gz FYVZEKKLXOVBBT-LBPRGKRZSA-N 1 1 278.352 1.186 40 0 CDABMO c1ccc(NC[C@H]2CO[C@@H]3C[N@H+](C4CCC4)C[C@H]23)nc1 ZINC000306137629 374970648 /nfs/dbraw/zinc/97/06/48/374970648.db2.gz RBRHKOJCNHNFOT-NWANDNLSSA-N 1 1 273.380 1.993 40 0 CDABMO CC[C@@H](C)CC(=O)N1CC[NH+]([C@@H](C)COC)CC1 ZINC000225630504 375174414 /nfs/dbraw/zinc/17/44/14/375174414.db2.gz CXUBJDPMHASIPR-OLZOCXBDSA-N 1 1 256.390 1.602 40 0 CDABMO Cc1nn(C)c2nc([C@]3(C)CCC[N@@H+](CCO)C3)ccc12 ZINC000257205180 190011605 /nfs/dbraw/zinc/01/16/05/190011605.db2.gz AXYWFHVRVNGYSM-MRXNPFEDSA-N 1 1 288.395 1.623 40 0 CDABMO COc1ncc(C[N@@H+]2CC[C@@H](c3nccc(C)n3)C2)cn1 ZINC000257213671 190013445 /nfs/dbraw/zinc/01/34/45/190013445.db2.gz CIPUMXDGWBURIR-CYBMUJFWSA-N 1 1 285.351 1.573 40 0 CDABMO COc1ncc(C[N@H+]2CC[C@@H](c3nccc(C)n3)C2)cn1 ZINC000257213671 190013446 /nfs/dbraw/zinc/01/34/46/190013446.db2.gz CIPUMXDGWBURIR-CYBMUJFWSA-N 1 1 285.351 1.573 40 0 CDABMO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000257259122 190021706 /nfs/dbraw/zinc/02/17/06/190021706.db2.gz KWXIRPNIVPWSJW-ZDUSSCGKSA-N 1 1 271.368 1.963 40 0 CDABMO CNC(=O)c1cc(C[C@H]2CCC[N@H+](C(C)C)C2)nc(C)n1 ZINC000257273076 190024916 /nfs/dbraw/zinc/02/49/16/190024916.db2.gz NFDTVGIPQZKNLA-CYBMUJFWSA-N 1 1 290.411 1.808 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ccncc2)CC[C@@]12CCCO2 ZINC000257306592 190030982 /nfs/dbraw/zinc/03/09/82/190030982.db2.gz SUYXZOOAXZXEEA-GJZGRUSLSA-N 1 1 262.353 1.852 40 0 CDABMO CN1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@H](C(N)=O)C1 ZINC000257313885 190032343 /nfs/dbraw/zinc/03/23/43/190032343.db2.gz UUMQMMWBADQMNU-OAHLLOKOSA-N 1 1 298.390 1.084 40 0 CDABMO C[N@@H+]1CCN(Cc2ccc3ncccc3c2)C[C@H](C(N)=O)C1 ZINC000257313885 190032344 /nfs/dbraw/zinc/03/23/44/190032344.db2.gz UUMQMMWBADQMNU-OAHLLOKOSA-N 1 1 298.390 1.084 40 0 CDABMO C[N@H+]1CCN(Cc2ccc3ncccc3c2)C[C@H](C(N)=O)C1 ZINC000257313885 190032345 /nfs/dbraw/zinc/03/23/45/190032345.db2.gz UUMQMMWBADQMNU-OAHLLOKOSA-N 1 1 298.390 1.084 40 0 CDABMO CNc1nccnc1C[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257317782 190032951 /nfs/dbraw/zinc/03/29/51/190032951.db2.gz VLCNVWHHILCXEJ-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1nccnc1C[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257317782 190032952 /nfs/dbraw/zinc/03/29/52/190032952.db2.gz VLCNVWHHILCXEJ-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1nccnc1C[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257317782 190032953 /nfs/dbraw/zinc/03/29/53/190032953.db2.gz VLCNVWHHILCXEJ-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1nccnc1C[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257317782 190032954 /nfs/dbraw/zinc/03/29/54/190032954.db2.gz VLCNVWHHILCXEJ-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO O=c1cc(C[C@@H]2COCC[N@@H+](Cc3ccccc3)C2)nc[nH]1 ZINC000257321246 190033744 /nfs/dbraw/zinc/03/37/44/190033744.db2.gz WAVCABKZBUJQQT-HNNXBMFYSA-N 1 1 299.374 1.873 40 0 CDABMO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@@H+]3CCO)n2)n1 ZINC000257341643 190036954 /nfs/dbraw/zinc/03/69/54/190036954.db2.gz ZLGYGJGNZNLIJC-ZDUSSCGKSA-N 1 1 287.367 1.613 40 0 CDABMO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@H+]3CCO)n2)n1 ZINC000257341643 190036955 /nfs/dbraw/zinc/03/69/55/190036955.db2.gz ZLGYGJGNZNLIJC-ZDUSSCGKSA-N 1 1 287.367 1.613 40 0 CDABMO COc1cccc([C@@H]([NH3+])c2nc(Cn3cccn3)n[nH]2)c1 ZINC000095533557 390607560 /nfs/dbraw/zinc/60/75/60/390607560.db2.gz OCQIGHWFHDDDFG-CYBMUJFWSA-N 1 1 284.323 1.106 40 0 CDABMO C[C@H]1c2ncc(Cn3cncn3)n2CC[N@H+]1CC1CC1 ZINC000096062115 390912300 /nfs/dbraw/zinc/91/23/00/390912300.db2.gz DRUVPUUSWSGOGZ-NSHDSACASA-N 1 1 272.356 1.310 40 0 CDABMO C[C@H]1c2ncc(Cn3cncn3)n2CC[N@@H+]1CC1CC1 ZINC000096062115 390912302 /nfs/dbraw/zinc/91/23/02/390912302.db2.gz DRUVPUUSWSGOGZ-NSHDSACASA-N 1 1 272.356 1.310 40 0 CDABMO COc1ccc(C[C@H]2C[N@@H+](C)CC[C@@H]2O)c(OC)c1OC ZINC000252497673 392794871 /nfs/dbraw/zinc/79/48/71/392794871.db2.gz QMQMRMFUDUJKIO-STQMWFEESA-N 1 1 295.379 1.568 40 0 CDABMO CCCNc1ncc(CNC[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000062718470 392804453 /nfs/dbraw/zinc/80/44/53/392804453.db2.gz SFJORGVBQSDTGK-AWEZNQCLSA-N 1 1 277.416 1.872 40 0 CDABMO CCCNc1ncc(CNC[C@@H]2CCC[N@H+]2CC)cn1 ZINC000062718470 392804460 /nfs/dbraw/zinc/80/44/60/392804460.db2.gz SFJORGVBQSDTGK-AWEZNQCLSA-N 1 1 277.416 1.872 40 0 CDABMO Cc1nccn1-c1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072350494 176373492 /nfs/dbraw/zinc/37/34/92/176373492.db2.gz LSABXAMZAKMHLN-LBPRGKRZSA-N 1 1 257.341 1.780 40 0 CDABMO Cc1cc(-n2ccnc2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072382904 176388475 /nfs/dbraw/zinc/38/84/75/176388475.db2.gz RFEOHSYRKXOEOF-GFCCVEGCSA-N 1 1 257.341 1.780 40 0 CDABMO C[N@H+]1CCC[C@@](O)(CN2CCN(c3ccccc3)CC2)C1 ZINC000046087415 423939027 /nfs/dbraw/zinc/93/90/27/423939027.db2.gz VWZKXMNKLXPKSJ-KRWDZBQOSA-N 1 1 289.423 1.265 40 0 CDABMO CN1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000046087415 423939034 /nfs/dbraw/zinc/93/90/34/423939034.db2.gz VWZKXMNKLXPKSJ-KRWDZBQOSA-N 1 1 289.423 1.265 40 0 CDABMO C[N@H+]1CC=C(c2nn3c(nnc3C(F)(F)F)s2)CC1 ZINC000073636202 277023494 /nfs/dbraw/zinc/02/34/94/277023494.db2.gz NCVBIXMEACTWRO-UHFFFAOYSA-N 1 1 289.286 1.924 40 0 CDABMO C[N@@H+]1CC=C(c2nn3c(nnc3C(F)(F)F)s2)CC1 ZINC000073636202 277023497 /nfs/dbraw/zinc/02/34/97/277023497.db2.gz NCVBIXMEACTWRO-UHFFFAOYSA-N 1 1 289.286 1.924 40 0 CDABMO CC[N@H+]1CCC[C@@](O)(CN2CCc3sccc3C2)C1 ZINC000041124085 279315614 /nfs/dbraw/zinc/31/56/14/279315614.db2.gz LKGPJZSPNNIOQE-HNNXBMFYSA-N 1 1 280.437 1.953 40 0 CDABMO Cc1nc([C@H]2CCC[N@H+]2C2CCCC2)ncc1C(N)=O ZINC000072345418 293390459 /nfs/dbraw/zinc/39/04/59/293390459.db2.gz ASPPUUGKUOEKJX-CYBMUJFWSA-N 1 1 274.368 1.963 40 0 CDABMO O=C(NCCOc1ccc(F)cc1F)[C@@H]1CSC[NH2+]1 ZINC000158993754 323213189 /nfs/dbraw/zinc/21/31/89/323213189.db2.gz YINPUDLZTQOZCD-JTQLQIEISA-N 1 1 288.319 1.122 40 0 CDABMO O=C(N1CC[NH2+][C@@H](c2ccc(O)cc2)C1)C1(C(F)F)CC1 ZINC000870093007 775451452 /nfs/dbraw/zinc/45/14/52/775451452.db2.gz PLHAAWLECSNMMP-GFCCVEGCSA-N 1 1 296.317 1.910 40 0 CDABMO O=C(c1ccco1)N1CC[N@H+]2C[C@H](OCC3CC3)C[C@@H]2C1 ZINC000096054998 185076827 /nfs/dbraw/zinc/07/68/27/185076827.db2.gz IAXBEFAQFSYVPF-ZIAGYGMSSA-N 1 1 290.363 1.605 40 0 CDABMO COCC[N@H+]1CC[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC000096081401 185091705 /nfs/dbraw/zinc/09/17/05/185091705.db2.gz IFYZZRRDSGAKHV-QWHCGFSZSA-N 1 1 278.352 1.320 40 0 CDABMO CC(C)[N@H+]1CCOC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585268967 342254420 /nfs/dbraw/zinc/25/44/20/342254420.db2.gz GAUVHKXYPRMRIC-OAHLLOKOSA-N 1 1 283.343 1.676 40 0 CDABMO CO[C@]1(COc2ccccc2C)CCC[N@H+](CC(N)=O)C1 ZINC000585275098 342255971 /nfs/dbraw/zinc/25/59/71/342255971.db2.gz WJEOSGKJNFGWSV-MRXNPFEDSA-N 1 1 292.379 1.340 40 0 CDABMO CO[C@]1(COc2ccccc2C)CCC[N@@H+](CC(N)=O)C1 ZINC000585275098 342255972 /nfs/dbraw/zinc/25/59/72/342255972.db2.gz WJEOSGKJNFGWSV-MRXNPFEDSA-N 1 1 292.379 1.340 40 0 CDABMO CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](CC1CC1)C2 ZINC000096050232 136518516 /nfs/dbraw/zinc/51/85/16/136518516.db2.gz MAIBPRJJOSTXFY-GOSISDBHSA-N 1 1 299.418 1.820 40 0 CDABMO CC(C)CCO[C@H]1COCC[N@H+](C2CCOCC2)C1 ZINC000085436032 179063039 /nfs/dbraw/zinc/06/30/39/179063039.db2.gz PKLSNWSUHSEVAK-OAHLLOKOSA-N 1 1 271.401 1.929 40 0 biogenic,in-vitro CDABMO CNC(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000108535034 186221813 /nfs/dbraw/zinc/22/18/13/186221813.db2.gz WWXJGNFSFMFEPB-DZGCQCFKSA-N 1 1 276.384 1.158 40 0 CDABMO CNC(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cn(C)nc1C)C2 ZINC000108532686 186222731 /nfs/dbraw/zinc/22/27/31/186222731.db2.gz SACSIEUMWGEEAJ-GOEBONIOSA-N 1 1 290.411 1.467 40 0 CDABMO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000002022548 355958228 /nfs/dbraw/zinc/95/82/28/355958228.db2.gz LATDQGYTGDNKCA-UHFFFAOYSA-N 1 1 281.787 1.726 40 0 CDABMO CN(C[C@H]1CCC[N@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407869 356990862 /nfs/dbraw/zinc/99/08/62/356990862.db2.gz XQZIQWQYQOVKEB-LLVKDONJSA-N 1 1 258.362 1.310 40 0 CDABMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000056513722 357344936 /nfs/dbraw/zinc/34/49/36/357344936.db2.gz KPAUBBHJUPFJJV-NSHDSACASA-N 1 1 258.362 1.358 40 0 CDABMO Cn1cc(N2C(=O)C[C@H]3[C@H]2CC[N@H+]3Cc2ccccn2)cn1 ZINC000096184164 358713389 /nfs/dbraw/zinc/71/33/89/358713389.db2.gz YUJMSHNFLWIHBP-CABCVRRESA-N 1 1 297.362 1.195 40 0 CDABMO COCC[N@H+]1C[C@H](OCc2csc(C)n2)[C@H]2COC[C@H]21 ZINC000096185094 358714368 /nfs/dbraw/zinc/71/43/68/358714368.db2.gz HEMIFUYJRYHKLZ-MJBXVCDLSA-N 1 1 298.408 1.314 40 0 CDABMO CC(C)NC(=O)[C@]12COC[C@H]1C[N@@H+](Cc1ccoc1)C2 ZINC000096206899 358720225 /nfs/dbraw/zinc/72/02/25/358720225.db2.gz QRTUFNYGSPDQHR-UKRRQHHQSA-N 1 1 278.352 1.253 40 0 CDABMO FCC[N@@H+]1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096217209 358720934 /nfs/dbraw/zinc/72/09/34/358720934.db2.gz YFBPMUWSVSIPHU-GFCCVEGCSA-N 1 1 270.377 1.800 40 0 CDABMO FCC[N@H+]1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096217209 358720939 /nfs/dbraw/zinc/72/09/39/358720939.db2.gz YFBPMUWSVSIPHU-GFCCVEGCSA-N 1 1 270.377 1.800 40 0 CDABMO Cc1ccsc1C(=O)N1CC[C@@H]2C[N@@H+](C)CCO[C@@H]2C1 ZINC000096249556 358726408 /nfs/dbraw/zinc/72/64/08/358726408.db2.gz ZLKBVAAGDYSNGF-CHWSQXEVSA-N 1 1 294.420 1.849 40 0 CDABMO CC(C)CC[N@H+]1C[C@H]2C[C@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000096252961 358727633 /nfs/dbraw/zinc/72/76/33/358727633.db2.gz LFBCGBSGAFUZAY-QLFBSQMISA-N 1 1 282.428 1.894 40 0 CDABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)C(=O)N1C ZINC000096261414 358729742 /nfs/dbraw/zinc/72/97/42/358729742.db2.gz GCWBFMXVWKMJAF-VNHYZAJKSA-N 1 1 261.369 1.367 40 0 CDABMO COC[C@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218462153 372826362 /nfs/dbraw/zinc/82/63/62/372826362.db2.gz BVYZNJDIDHFNJL-WOPDTQHZSA-N 1 1 289.784 1.194 40 0 CDABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218516805 372962746 /nfs/dbraw/zinc/96/27/46/372962746.db2.gz KWYIZCINPHWJAP-SOUVJXGZSA-N 1 1 297.420 1.493 40 0 CDABMO Fc1ccc(-c2n[nH]c(CN3CC[NH2+]CC3)n2)cc1 ZINC000064875478 374241056 /nfs/dbraw/zinc/24/10/56/374241056.db2.gz KARZQXRDKUSSDK-UHFFFAOYSA-N 1 1 261.304 1.016 40 0 CDABMO Fc1ccc(-c2nc(CN3CC[NH2+]CC3)n[nH]2)cc1 ZINC000064875478 374241066 /nfs/dbraw/zinc/24/10/66/374241066.db2.gz KARZQXRDKUSSDK-UHFFFAOYSA-N 1 1 261.304 1.016 40 0 CDABMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@H](C)C1 ZINC000079361196 374796186 /nfs/dbraw/zinc/79/61/86/374796186.db2.gz LGJWVIAKXMVFNP-ILXRZTDVSA-N 1 1 298.427 1.419 40 0 CDABMO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)C3(F)CC3)C2)C1 ZINC000306142282 374971663 /nfs/dbraw/zinc/97/16/63/374971663.db2.gz WVKUKCHWKOPDEA-LBPRGKRZSA-N 1 1 284.375 1.448 40 0 CDABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)C3(F)CC3)C2)C1 ZINC000306142282 374971664 /nfs/dbraw/zinc/97/16/64/374971664.db2.gz WVKUKCHWKOPDEA-LBPRGKRZSA-N 1 1 284.375 1.448 40 0 CDABMO Cn1nccc1C[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256050897 190003336 /nfs/dbraw/zinc/00/33/36/190003336.db2.gz GXPFSWQSUMSUFZ-UHFFFAOYSA-N 1 1 273.262 1.469 40 0 CDABMO CCn1nccc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256050977 190003695 /nfs/dbraw/zinc/00/36/95/190003695.db2.gz HGGXKJLICGNKJL-UHFFFAOYSA-N 1 1 269.299 1.654 40 0 CDABMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC000257225063 190015197 /nfs/dbraw/zinc/01/51/97/190015197.db2.gz FEQSZHSYZPBIGV-UMVBOHGHSA-N 1 1 276.355 1.812 40 0 CDABMO Cc1cc(CN2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)no1 ZINC000257239292 190017500 /nfs/dbraw/zinc/01/75/00/190017500.db2.gz HORNXZIOVPMSCX-HNNXBMFYSA-N 1 1 288.351 1.842 40 0 CDABMO Cc1nc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000257319262 190033453 /nfs/dbraw/zinc/03/34/53/190033453.db2.gz VROTVYGEGHTMQN-CYBMUJFWSA-N 1 1 287.367 1.604 40 0 CDABMO C[N@H+]1CCC[C@](O)(CN2CCCc3ccccc32)C1 ZINC000040715098 378606288 /nfs/dbraw/zinc/60/62/88/378606288.db2.gz XHIKUFFARCIEDD-MRXNPFEDSA-N 1 1 260.381 1.896 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@]1([NH3+])COC ZINC000242463734 256698658 /nfs/dbraw/zinc/69/86/58/256698658.db2.gz DIKLLSFLPFJZPF-YNEHKIRRSA-N 1 1 287.356 1.070 40 0 CDABMO CC[NH+]1CCN(C(=O)COc2ccccc2OC)CC1 ZINC000035299883 256797682 /nfs/dbraw/zinc/79/76/82/256797682.db2.gz LFKQCSRUOJLYHW-UHFFFAOYSA-N 1 1 278.352 1.238 40 0 CDABMO CCS(=O)(=O)[C@H](CO)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000096525208 390539905 /nfs/dbraw/zinc/53/99/05/390539905.db2.gz CSWJOJYMXIALKI-MNOVXSKESA-N 1 1 277.773 1.135 40 0 CDABMO CCS(=O)(=O)c1ccc2oc([C@@H](C)[NH3+])nc2c1 ZINC000072220835 390622208 /nfs/dbraw/zinc/62/22/08/390622208.db2.gz YXGXOTLZFVTUPJ-SSDOTTSWSA-N 1 1 254.311 1.641 40 0 CDABMO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCC[N@@H+]1C ZINC000072219385 390623100 /nfs/dbraw/zinc/62/31/00/390623100.db2.gz TYMFWOZFOGWORG-AWEZNQCLSA-N 1 1 261.369 1.993 40 0 CDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)[C@H]3C[C@H]3C)C2)C1 ZINC000306123096 392105476 /nfs/dbraw/zinc/10/54/76/392105476.db2.gz AEIMMDQKHJRTPC-MCIONIFRSA-N 1 1 280.412 1.602 40 0 CDABMO C[C@H](C(=O)N1CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000022585712 171392792 /nfs/dbraw/zinc/39/27/92/171392792.db2.gz XEPBAHKKZFWEHN-CYBMUJFWSA-N 1 1 273.380 1.212 40 0 CDABMO COCCNC(=O)[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1C ZINC000072366455 176381864 /nfs/dbraw/zinc/38/18/64/176381864.db2.gz RJRXQMSKSKAGIQ-MRXNPFEDSA-N 1 1 294.370 1.595 40 0 CDABMO C[N@@H+]1CCO[C@@](C)(C(=O)NCCCc2ccccc2)C1 ZINC000072379352 176386678 /nfs/dbraw/zinc/38/66/78/176386678.db2.gz NHUQXWCYSQOGNW-MRXNPFEDSA-N 1 1 276.380 1.456 40 0 CDABMO C[N@H+]1CCO[C@@](C)(C(=O)NCCCc2ccccc2)C1 ZINC000072379352 176386679 /nfs/dbraw/zinc/38/66/79/176386679.db2.gz NHUQXWCYSQOGNW-MRXNPFEDSA-N 1 1 276.380 1.456 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)cc1F ZINC000072397600 176394899 /nfs/dbraw/zinc/39/48/99/176394899.db2.gz VJVHQBVGMRIQIJ-ZLKJLUDKSA-N 1 1 282.334 1.604 40 0 CDABMO COC[C@H](O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000077177168 177230873 /nfs/dbraw/zinc/23/08/73/177230873.db2.gz NPUVZNQJNDVSIU-UKRRQHHQSA-N 1 1 267.344 1.697 40 0 CDABMO CC1(C)CC[C@@H](NC(=O)[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000236747062 278268482 /nfs/dbraw/zinc/26/84/82/278268482.db2.gz BZWHNCIKPLWJKH-HUUCEWRRSA-N 1 1 288.391 1.904 40 0 CDABMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000075837443 279009992 /nfs/dbraw/zinc/00/99/92/279009992.db2.gz VMDZXINKFCTKOC-FPCVCCKLSA-N 1 1 282.428 1.333 40 0 CDABMO N#CCCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000016036055 1165640135 /nfs/dbraw/zinc/64/01/35/1165640135.db2.gz SDLAAVSKTBAHSQ-OLZOCXBDSA-N 1 1 257.337 1.571 40 0 CDABMO [NH3+][C@H](c1nc(-c2cnccn2)n[nH]1)c1ccccc1 ZINC000095533412 185006529 /nfs/dbraw/zinc/00/65/29/185006529.db2.gz REJWDNHMPKLSOW-NSHDSACASA-N 1 1 252.281 1.310 40 0 CDABMO COc1cccc([C@@H]([NH3+])c2nc(-c3cnccn3)n[nH]2)c1 ZINC000095533541 185007534 /nfs/dbraw/zinc/00/75/34/185007534.db2.gz BNVAOVGYAPAKPC-GFCCVEGCSA-N 1 1 282.307 1.318 40 0 CDABMO CC(C)[N@H+]1CCOC[C@@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049718 185074166 /nfs/dbraw/zinc/07/41/66/185074166.db2.gz WATWUPRTUQZPHO-MRXNPFEDSA-N 1 1 294.395 1.591 40 0 CDABMO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096053749 185075097 /nfs/dbraw/zinc/07/50/97/185075097.db2.gz LPBJEIWKQSERJG-GASCZTMLSA-N 1 1 297.358 1.879 40 0 CDABMO O=C(NC1CC1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096058224 185078659 /nfs/dbraw/zinc/07/86/59/185078659.db2.gz QPDWXVDWPYNQBY-NWANDNLSSA-N 1 1 290.363 1.538 40 0 CDABMO O=C(NC1CC1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096058224 185078660 /nfs/dbraw/zinc/07/86/60/185078660.db2.gz QPDWXVDWPYNQBY-NWANDNLSSA-N 1 1 290.363 1.538 40 0 CDABMO COCC[N@H+]1CC[C@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000096062294 185083353 /nfs/dbraw/zinc/08/33/53/185083353.db2.gz HPEQOGHBEDDPDD-MRXNPFEDSA-N 1 1 294.395 1.450 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1)CC[C@@H]2OC ZINC000096109400 185099179 /nfs/dbraw/zinc/09/91/79/185099179.db2.gz RMTHSGVXJAFBHS-XHSDSOJGSA-N 1 1 288.391 1.868 40 0 CDABMO C[N@H+]1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096107309 185099634 /nfs/dbraw/zinc/09/96/34/185099634.db2.gz NFSBYICXZCWYPV-CABCVRRESA-N 1 1 262.353 1.852 40 0 CDABMO CN1C[C@]2(CCC[N@@H+](CC3CC(F)(F)C3)C2)C1=O ZINC000585099566 342212187 /nfs/dbraw/zinc/21/21/87/342212187.db2.gz PRZWISQEABXXDC-LBPRGKRZSA-N 1 1 258.312 1.586 40 0 CDABMO CC[C@@H](C)N1C[C@]2(CCC[N@H+](Cc3nccn3C)C2)C1=O ZINC000585099358 342212286 /nfs/dbraw/zinc/21/22/86/342212286.db2.gz HMFNBGVAGBXIIB-CZUORRHYSA-N 1 1 290.411 1.643 40 0 CDABMO CC[C@@H](C)N1C[C@]2(CCC[N@@H+](Cc3nccn3C)C2)C1=O ZINC000585099358 342212287 /nfs/dbraw/zinc/21/22/87/342212287.db2.gz HMFNBGVAGBXIIB-CZUORRHYSA-N 1 1 290.411 1.643 40 0 CDABMO COCC[N@H+]1C[C@H]2CCN(C(=O)c3c(C)noc3C)[C@@H]2C1 ZINC000585107666 342213064 /nfs/dbraw/zinc/21/30/64/342213064.db2.gz NOGZLSWUBBWLDB-CHWSQXEVSA-N 1 1 293.367 1.084 40 0 CDABMO C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CC2)C[C@H]1O ZINC000257310148 362586078 /nfs/dbraw/zinc/58/60/78/362586078.db2.gz UDVWWROVPVIQQR-HUUCEWRRSA-N 1 1 292.354 1.239 40 0 CDABMO C[NH+]1CCN(C(=O)COC(=O)c2ccccc2Cl)CC1 ZINC000008091755 348733439 /nfs/dbraw/zinc/73/34/39/348733439.db2.gz YAIDAPUAEYUOQK-UHFFFAOYSA-N 1 1 296.754 1.271 40 0 CDABMO O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCc2ccccc2O1 ZINC000333117919 362937836 /nfs/dbraw/zinc/93/78/36/362937836.db2.gz HSPJXJLXTDXVGZ-MLGOLLRUSA-N 1 1 297.358 1.777 40 0 CDABMO COc1cccc(C[N@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000108534290 186221998 /nfs/dbraw/zinc/22/19/98/186221998.db2.gz VNLGTOGUFCNAOZ-HOTGVXAUSA-N 1 1 276.380 1.600 40 0 CDABMO CNC(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1cnc(C)nc1)C2 ZINC000108535588 186222462 /nfs/dbraw/zinc/22/24/62/186222462.db2.gz WLDHZKNCVXTDRC-ZBFHGGJFSA-N 1 1 288.395 1.523 40 0 CDABMO CCCc1ncc(C[N@@H+]2CCC[C@@]2(C)C(=O)N(C)C)cn1 ZINC000019746504 356499057 /nfs/dbraw/zinc/49/90/57/356499057.db2.gz HCTUBGPPQGYQOW-INIZCTEOSA-N 1 1 290.411 1.872 40 0 CDABMO CCCc1ncc(C[N@H+]2CCC[C@@]2(C)C(=O)N(C)C)cn1 ZINC000019746504 356499062 /nfs/dbraw/zinc/49/90/62/356499062.db2.gz HCTUBGPPQGYQOW-INIZCTEOSA-N 1 1 290.411 1.872 40 0 CDABMO CCOC(=O)c1cccc(OCCC[NH+]2CCOCC2)c1 ZINC000031623697 356767931 /nfs/dbraw/zinc/76/79/31/356767931.db2.gz AQZXCEYDLHEWNT-UHFFFAOYSA-N 1 1 293.363 1.964 40 0 CDABMO CC(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)C[N@@H+]2C ZINC000585093865 358098951 /nfs/dbraw/zinc/09/89/51/358098951.db2.gz LLHWWQFVDDBVNZ-OAHLLOKOSA-N 1 1 289.379 1.151 40 0 CDABMO Cc1cnc(N2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)nc1 ZINC000096161578 358711069 /nfs/dbraw/zinc/71/10/69/358711069.db2.gz WWYMBLODOPTOGD-GASCZTMLSA-N 1 1 295.390 1.748 40 0 CDABMO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CCOCC2)s1 ZINC000096184895 358714248 /nfs/dbraw/zinc/71/42/48/358714248.db2.gz SODHXFAWVUWYNR-OLZOCXBDSA-N 1 1 294.424 1.618 40 0 CDABMO CN(C)Cc1cn2c(n1)C[N@@H+](CC1CCCC1)CC2 ZINC000096197172 358716117 /nfs/dbraw/zinc/71/61/17/358716117.db2.gz DWBQMSVDYZQJKT-UHFFFAOYSA-N 1 1 262.401 1.951 40 0 CDABMO CN(C)Cc1cn2c(n1)C[N@H+](CC1CCCC1)CC2 ZINC000096197172 358716120 /nfs/dbraw/zinc/71/61/20/358716120.db2.gz DWBQMSVDYZQJKT-UHFFFAOYSA-N 1 1 262.401 1.951 40 0 CDABMO CCOC[C@@H]1C[N@H+](Cc2cccnc2)Cc2cn(C)nc21 ZINC000096197985 358717521 /nfs/dbraw/zinc/71/75/21/358717521.db2.gz YSPGPXPEEFOQDW-HNNXBMFYSA-N 1 1 286.379 1.951 40 0 CDABMO CCOC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2cn(C)nc21 ZINC000096197985 358717522 /nfs/dbraw/zinc/71/75/22/358717522.db2.gz YSPGPXPEEFOQDW-HNNXBMFYSA-N 1 1 286.379 1.951 40 0 CDABMO C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1cccnc1)O2 ZINC000096206747 358720152 /nfs/dbraw/zinc/72/01/52/358720152.db2.gz IBQGNWDJSAHRLT-GDBMZVCRSA-N 1 1 289.379 1.455 40 0 CDABMO COCC[N@H+]1CC[C@@]12CCN(C(=O)Cc1cccs1)C2 ZINC000096228660 358723609 /nfs/dbraw/zinc/72/36/09/358723609.db2.gz YEKDKFVZQKGIAO-OAHLLOKOSA-N 1 1 294.420 1.614 40 0 CDABMO O=C1C[C@]2(CC[N@H+](CCO)C2)CN1c1cccc(F)c1 ZINC000096239427 358724873 /nfs/dbraw/zinc/72/48/73/358724873.db2.gz SWNBLDFMJTWMGU-HNNXBMFYSA-N 1 1 278.327 1.247 40 0 CDABMO Cc1ccc(N2C[C@]3(CC[N@@H+](CCO)C3)CC2=O)s1 ZINC000096239444 358724909 /nfs/dbraw/zinc/72/49/09/358724909.db2.gz HWKPXGCVETZKSN-CQSZACIVSA-N 1 1 280.393 1.478 40 0 CDABMO O=C([C@@H]1C[C@H]2OCC[N@@H+](CC3CC3)[C@@H]2C1)N1CCCC1 ZINC000096251679 358726740 /nfs/dbraw/zinc/72/67/40/358726740.db2.gz AFSXMXLHCVOACT-RRFJBIMHSA-N 1 1 278.396 1.498 40 0 CDABMO Cc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)N(C)C)[C@@H](C2)O3)c1 ZINC000096252820 358727895 /nfs/dbraw/zinc/72/78/95/358727895.db2.gz SDVREVHHBPIPRP-OWCLPIDISA-N 1 1 288.391 1.673 40 0 CDABMO Cc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)N(C)C)[C@@H](C2)O3)c1 ZINC000096252820 358727897 /nfs/dbraw/zinc/72/78/97/358727897.db2.gz SDVREVHHBPIPRP-OWCLPIDISA-N 1 1 288.391 1.673 40 0 CDABMO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)N(C)C)[C@@H](C2)O3)cc1 ZINC000096252794 358728011 /nfs/dbraw/zinc/72/80/11/358728011.db2.gz YMCAAPWYGJWSHJ-OWCLPIDISA-N 1 1 288.391 1.673 40 0 CDABMO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)N(C)C)[C@@H](C2)O3)cc1 ZINC000096252794 358728014 /nfs/dbraw/zinc/72/80/14/358728014.db2.gz YMCAAPWYGJWSHJ-OWCLPIDISA-N 1 1 288.391 1.673 40 0 CDABMO CC(C)Oc1ncnc2c1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096255651 358728904 /nfs/dbraw/zinc/72/89/04/358728904.db2.gz SDESNTHNNCKRNZ-ZDUSSCGKSA-N 1 1 291.395 1.701 40 0 CDABMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000225532535 361075126 /nfs/dbraw/zinc/07/51/26/361075126.db2.gz GKNREJQFUSJDDI-QWHCGFSZSA-N 1 1 286.416 1.765 40 0 CDABMO CSc1ncccc1C(=O)NCCn1cc[nH+]c1C ZINC000049460848 373999659 /nfs/dbraw/zinc/99/96/59/373999659.db2.gz LUOJNAVCYHMSFM-UHFFFAOYSA-N 1 1 276.365 1.738 40 0 CDABMO C[C@H](Cc1cccs1)[N@@H+](C)CCn1cncn1 ZINC000081575209 374061095 /nfs/dbraw/zinc/06/10/95/374061095.db2.gz MVRJCEVJTMIGIX-LLVKDONJSA-N 1 1 250.371 1.903 40 0 CDABMO CC[N@@H+]1CCC[C@@H]1CNCc1cnc(N2CCCC2)nc1 ZINC000062718503 374168536 /nfs/dbraw/zinc/16/85/36/374168536.db2.gz MBJFPOFESIPLJO-OAHLLOKOSA-N 1 1 289.427 1.651 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNCc1cnc(N2CCCC2)nc1 ZINC000062718503 374168543 /nfs/dbraw/zinc/16/85/43/374168543.db2.gz MBJFPOFESIPLJO-OAHLLOKOSA-N 1 1 289.427 1.651 40 0 CDABMO C[C@H]1CO[C@H](CO)C[N@H+]1CCCCC1CCOCC1 ZINC000225500406 374562467 /nfs/dbraw/zinc/56/24/67/374562467.db2.gz FJARHYHWFLLGMB-ZFWWWQNUSA-N 1 1 271.401 1.665 40 0 CDABMO CC(=O)N1CCC(CN2CCC([NH+](C)C)CC2)CC1 ZINC000225522926 375138742 /nfs/dbraw/zinc/13/87/42/375138742.db2.gz XRFJQHIHZCMWEP-UHFFFAOYSA-N 1 1 267.417 1.271 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cn1 ZINC000257208122 190012154 /nfs/dbraw/zinc/01/21/54/190012154.db2.gz BKWFMYLDFZSEAT-CYBMUJFWSA-N 1 1 257.341 1.590 40 0 CDABMO CNc1cc(C)[nH+]c([C@@H]2CN(Cc3c[nH]cn3)CCO2)c1 ZINC000257246187 190019641 /nfs/dbraw/zinc/01/96/41/190019641.db2.gz ISYHNFBDVLCQNU-HNNXBMFYSA-N 1 1 287.367 1.728 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@@]12CCCO2 ZINC000257250137 190019925 /nfs/dbraw/zinc/01/99/25/190019925.db2.gz JLDSDEMTLTZEEF-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO Cn1cncc1CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257269746 190023886 /nfs/dbraw/zinc/02/38/86/190023886.db2.gz MRFFANLYMPYQSX-INIZCTEOSA-N 1 1 270.380 1.909 40 0 CDABMO CC[C@H](C)CC(=O)N1CC[NH+]([C@@H](C)COC)CC1 ZINC000225630557 375779816 /nfs/dbraw/zinc/77/98/16/375779816.db2.gz CXUBJDPMHASIPR-STQMWFEESA-N 1 1 256.390 1.602 40 0 CDABMO CN(C)C(=O)C[N@H+]1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257303362 190030158 /nfs/dbraw/zinc/03/01/58/190030158.db2.gz SGWQZAVHHKUZFZ-FOLVSLTJSA-N 1 1 288.391 1.864 40 0 CDABMO Cc1cn(C)c([C@H]2CC[N@H+](Cc3cncn3C)C2)n1 ZINC000257343800 190037810 /nfs/dbraw/zinc/03/78/10/190037810.db2.gz ZULXUHGEJHUSTJ-LBPRGKRZSA-N 1 1 259.357 1.452 40 0 CDABMO CCCCC(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000224250671 376316917 /nfs/dbraw/zinc/31/69/17/376316917.db2.gz ODIXPAXMHXMFIY-UHFFFAOYSA-N 1 1 277.372 1.357 40 0 CDABMO Cc1ccc(CN2CC3(C2)CO[C@@H](C[NH+](C)C)C3)o1 ZINC000096239514 256829763 /nfs/dbraw/zinc/82/97/63/256829763.db2.gz LCUYQSYQUUHIKU-CQSZACIVSA-N 1 1 264.369 1.741 40 0 CDABMO C[N@H+](CC(=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393353 390421266 /nfs/dbraw/zinc/42/12/66/390421266.db2.gz KLKISZADWOFJCZ-CQSZACIVSA-N 1 1 262.353 1.525 40 0 CDABMO C[NH+](CC(=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393353 390421271 /nfs/dbraw/zinc/42/12/71/390421271.db2.gz KLKISZADWOFJCZ-CQSZACIVSA-N 1 1 262.353 1.525 40 0 CDABMO C[NH+](CC(=O)[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393353 390421276 /nfs/dbraw/zinc/42/12/76/390421276.db2.gz KLKISZADWOFJCZ-CQSZACIVSA-N 1 1 262.353 1.525 40 0 CDABMO CC[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216513 390620907 /nfs/dbraw/zinc/62/09/07/390620907.db2.gz JWQYCCKOQQFXKZ-OAHLLOKOSA-N 1 1 274.412 1.990 40 0 CDABMO CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216513 390620912 /nfs/dbraw/zinc/62/09/12/390620912.db2.gz JWQYCCKOQQFXKZ-OAHLLOKOSA-N 1 1 274.412 1.990 40 0 CDABMO CC[C@@H](O)c1c[nH+]c(N2CCN(C(C)=O)CC2)cc1C ZINC000072223734 390623981 /nfs/dbraw/zinc/62/39/81/390623981.db2.gz ZOXHULARUZHTNE-CQSZACIVSA-N 1 1 277.368 1.502 40 0 CDABMO CC[C@@H]([NH3+])c1ccc(N2CCN(CC)CC2)nc1C ZINC000072224681 390625015 /nfs/dbraw/zinc/62/50/15/390625015.db2.gz WHRNHJKEARPDLB-CQSZACIVSA-N 1 1 262.401 1.942 40 0 CDABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 ZINC000072227550 390625706 /nfs/dbraw/zinc/62/57/06/390625706.db2.gz LIWOJILYQSYCQK-LSDHHAIUSA-N 1 1 282.299 1.831 40 0 CDABMO COc1c2c(cc3c1C[N@@H+](CP)CC3)OCO2 ZINC000095470459 390911153 /nfs/dbraw/zinc/91/11/53/390911153.db2.gz ZLBKBYBYUBBGIB-UHFFFAOYSA-N 1 1 253.238 1.615 40 0 CDABMO COC[C@@H](O)C[N@H+]1C[C@@H](c2ccsc2)C[C@H]1C ZINC000096421807 391189606 /nfs/dbraw/zinc/18/96/06/391189606.db2.gz CEZFHQKVRBAQLO-WXHSDQCUSA-N 1 1 255.383 1.933 40 0 CDABMO OCCOc1cccc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)c1 ZINC000257322782 391649882 /nfs/dbraw/zinc/64/98/82/391649882.db2.gz WHJLDMREONBYKA-CQSZACIVSA-N 1 1 287.363 1.770 40 0 CDABMO CCC[N@H+]1CC[C@@H](CO)N(C)c2nc(C)ccc2C1 ZINC000225494560 393070571 /nfs/dbraw/zinc/07/05/71/393070571.db2.gz FOGBQKCACFMEKT-AWEZNQCLSA-N 1 1 263.385 1.803 40 0 biogenic,in-vitro CDABMO CCC[C@H](c1nnnn1CCC(C)C)N1CC[NH+](C)CC1 ZINC000019501894 170815388 /nfs/dbraw/zinc/81/53/88/170815388.db2.gz UHIWKCCKPDSMNJ-CQSZACIVSA-N 1 1 294.447 1.808 40 0 CDABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072355933 176375845 /nfs/dbraw/zinc/37/58/45/176375845.db2.gz AVNBHEZQGHTFQM-CYBMUJFWSA-N 1 1 271.368 1.898 40 0 CDABMO Cc1nccc([C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072355933 176375846 /nfs/dbraw/zinc/37/58/46/176375846.db2.gz AVNBHEZQGHTFQM-CYBMUJFWSA-N 1 1 271.368 1.898 40 0 CDABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)NC1CC1 ZINC000072373509 176384639 /nfs/dbraw/zinc/38/46/39/176384639.db2.gz XGSQFVKBOABAIL-OCZCAGDBSA-N 1 1 290.363 1.373 40 0 CDABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)NC1CC1 ZINC000072373509 176384641 /nfs/dbraw/zinc/38/46/41/176384641.db2.gz XGSQFVKBOABAIL-OCZCAGDBSA-N 1 1 290.363 1.373 40 0 CDABMO Cc1cc(-n2ccnc2)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072382905 176388489 /nfs/dbraw/zinc/38/84/89/176388489.db2.gz RFEOHSYRKXOEOF-LBPRGKRZSA-N 1 1 257.341 1.780 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1CCCc1ccccc1 ZINC000072397651 176394794 /nfs/dbraw/zinc/39/47/94/176394794.db2.gz FRDMDTTUQBHAQV-HYVNUMGLSA-N 1 1 274.408 1.759 40 0 CDABMO C[C@@H]1CN2C[C@H](O)C[C@H]2C[N@@H+]1CCCc1ccccc1 ZINC000072397651 176394795 /nfs/dbraw/zinc/39/47/95/176394795.db2.gz FRDMDTTUQBHAQV-HYVNUMGLSA-N 1 1 274.408 1.759 40 0 CDABMO C[C@@H]1CN2C[C@H](O)C[C@H]2C[N@H+]1CCCc1ccccc1 ZINC000072397651 176394797 /nfs/dbraw/zinc/39/47/97/176394797.db2.gz FRDMDTTUQBHAQV-HYVNUMGLSA-N 1 1 274.408 1.759 40 0 CDABMO CCCc1cc(C(=O)N2CC[NH+](CCC)CC2)n(C)n1 ZINC000072398352 176396305 /nfs/dbraw/zinc/39/63/05/176396305.db2.gz QCJHDZQZMHLQSJ-UHFFFAOYSA-N 1 1 278.400 1.540 40 0 CDABMO CNC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000076804203 177100257 /nfs/dbraw/zinc/10/02/57/177100257.db2.gz SGOZPEMQYQPRRM-NSHDSACASA-N 1 1 279.340 1.652 40 0 CDABMO CNC(=O)NC(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000076804203 177100259 /nfs/dbraw/zinc/10/02/59/177100259.db2.gz SGOZPEMQYQPRRM-NSHDSACASA-N 1 1 279.340 1.652 40 0 CDABMO CN1CCN(C2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000019889859 277103646 /nfs/dbraw/zinc/10/36/46/277103646.db2.gz LNKXBJRJYVFVEV-IXDOHACOSA-N 1 1 289.467 1.910 40 0 CDABMO COC(=O)[C@]1(C)CC(c2cnc(NC(C)C)nc2)=[NH+]O1 ZINC000226084319 1161389734 /nfs/dbraw/zinc/38/97/34/1161389734.db2.gz OEAOQABCXGIMCP-ZDUSSCGKSA-N 1 1 278.312 1.353 40 0 CDABMO CC[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC000097953559 527952777 /nfs/dbraw/zinc/95/27/77/527952777.db2.gz YHDKQRLXNJEWPA-NFAWXSAZSA-N 1 1 292.379 1.500 40 0 CDABMO Cc1ccc(OCCNC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000072798666 538430036 /nfs/dbraw/zinc/43/00/36/538430036.db2.gz OLNSRNHAFQNTLZ-AWEZNQCLSA-N 1 1 276.380 1.832 40 0 CDABMO Cc1cc(=O)[nH]c(SC[C@H](O)[NH+]2CCCCC2)n1 ZINC001554502563 964981877 /nfs/dbraw/zinc/98/18/77/964981877.db2.gz KLFYNNCAMIESFX-NSHDSACASA-N 1 1 269.370 1.387 40 0 CDABMO CNC(=O)[C@]1(C)CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000019746709 342540594 /nfs/dbraw/zinc/54/05/94/342540594.db2.gz CKAMBXGZZZTSOR-CQSZACIVSA-N 1 1 264.373 1.077 40 0 CDABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)N(C)C)CC2 ZINC000096051781 185074188 /nfs/dbraw/zinc/07/41/88/185074188.db2.gz UADROWACUCNOIT-AWEZNQCLSA-N 1 1 297.443 1.879 40 0 CDABMO O=C1C[C@]2(CC[N@@H+](CC3CC3)C2)CN1c1ccccn1 ZINC000096050811 185074377 /nfs/dbraw/zinc/07/43/77/185074377.db2.gz CNWSXTCOJHZHRU-INIZCTEOSA-N 1 1 271.364 1.920 40 0 CDABMO CC[C@@H](C)[N@@H+]1CCc2c([nH]nc2C(=O)N2CCOCC2)C1 ZINC000096066653 185083860 /nfs/dbraw/zinc/08/38/60/185083860.db2.gz YVGCSMJPSHZTON-LLVKDONJSA-N 1 1 292.383 1.039 40 0 CDABMO CC[C@@H](C)[N@H+]1CCc2c([nH]nc2C(=O)N2CCOCC2)C1 ZINC000096066653 185083862 /nfs/dbraw/zinc/08/38/62/185083862.db2.gz YVGCSMJPSHZTON-LLVKDONJSA-N 1 1 292.383 1.039 40 0 CDABMO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccn2)N1c1cncnc1 ZINC000096081350 185091025 /nfs/dbraw/zinc/09/10/25/185091025.db2.gz XJBGVXAKVUSHQZ-CABCVRRESA-N 1 1 295.346 1.251 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccoc1C)CC[C@@H]2OC ZINC000096109394 185099349 /nfs/dbraw/zinc/09/93/49/185099349.db2.gz YBQQTLITZGKFGL-ZNMIVQPWSA-N 1 1 292.379 1.769 40 0 CDABMO COC[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1OC)C2 ZINC000096110999 185101056 /nfs/dbraw/zinc/10/10/56/185101056.db2.gz KLKOYPLQTIXNBM-GDBMZVCRSA-N 1 1 277.364 1.790 40 0 CDABMO c1cc2n(n1)CC[C@H](COc1ncccn1)[N@H+](CC1CC1)C2 ZINC000585096918 342211895 /nfs/dbraw/zinc/21/18/95/342211895.db2.gz FNSBCWPPVVGCMB-OAHLLOKOSA-N 1 1 299.378 1.736 40 0 CDABMO CN1C[C@@]2(CCC[N@H+](Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099396 342212136 /nfs/dbraw/zinc/21/21/36/342212136.db2.gz IBXUQXMLWVPWIK-CYBMUJFWSA-N 1 1 280.759 1.184 40 0 CDABMO CN1C[C@@]2(CCC[N@@H+](Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099396 342212137 /nfs/dbraw/zinc/21/21/37/342212137.db2.gz IBXUQXMLWVPWIK-CYBMUJFWSA-N 1 1 280.759 1.184 40 0 CDABMO CCn1nnc2c1CC[NH2+][C@H]2COCc1ccccc1 ZINC000104454353 186006582 /nfs/dbraw/zinc/00/65/82/186006582.db2.gz RLXQATJMZYQSHG-ZDUSSCGKSA-N 1 1 272.352 1.702 40 0 CDABMO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@H]2CCOC2)s1 ZINC000107200899 186162976 /nfs/dbraw/zinc/16/29/76/186162976.db2.gz DOPCMFRKOYCASB-UTUOFQBUSA-N 1 1 280.397 1.228 40 0 CDABMO OC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1cccs1 ZINC000107824797 186194236 /nfs/dbraw/zinc/19/42/36/186194236.db2.gz OSRJYVWDXFCJGS-WCFLWFBJSA-N 1 1 253.367 1.720 40 0 CDABMO OC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1cccs1 ZINC000107824797 186194237 /nfs/dbraw/zinc/19/42/37/186194237.db2.gz OSRJYVWDXFCJGS-WCFLWFBJSA-N 1 1 253.367 1.720 40 0 CDABMO CCc1ncc(C[N@H+]2CCC[C@](C)(C(=O)NC)C2)cn1 ZINC000019745945 356498988 /nfs/dbraw/zinc/49/89/88/356498988.db2.gz UYTRBIDPWGCJIV-HNNXBMFYSA-N 1 1 276.384 1.387 40 0 CDABMO O=S1(=O)C[C@H](Nc2ccccc2)[C@H]([NH+]2CCCCC2)C1 ZINC000033662846 356805469 /nfs/dbraw/zinc/80/54/69/356805469.db2.gz SVNYESGPIOVCGU-LSDHHAIUSA-N 1 1 294.420 1.750 40 0 CDABMO CN1CCN(C2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)CC1 ZINC000034115048 356809581 /nfs/dbraw/zinc/80/95/81/356809581.db2.gz LNKXBJRJYVFVEV-BBWFWOEESA-N 1 1 289.467 1.910 40 0 CDABMO COCCN1C(=O)C[C@H]2[C@H]1CC[N@H+]2Cc1ccccc1 ZINC000096183835 358713125 /nfs/dbraw/zinc/71/31/25/358713125.db2.gz JFFHLNUPNPLJOA-CABCVRRESA-N 1 1 274.364 1.508 40 0 CDABMO COCCN1C(=O)C[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(C)c(C)o1 ZINC000096183870 358713273 /nfs/dbraw/zinc/71/32/73/358713273.db2.gz QYXZGXAEZBXBES-LSDHHAIUSA-N 1 1 292.379 1.718 40 0 CDABMO CCS(=O)(=O)N1CCC2(CN(c3cccc(C)[nH+]3)C2)C1 ZINC000096202676 358718784 /nfs/dbraw/zinc/71/87/84/358718784.db2.gz XXMSITQPPOVWEI-UHFFFAOYSA-N 1 1 295.408 1.252 40 0 CDABMO Cc1nnc(C[C@]23COC[C@H]2C[N@@H+](Cc2ccoc2)C3)o1 ZINC000096215403 358721388 /nfs/dbraw/zinc/72/13/88/358721388.db2.gz CKNPJWUQCOSQGT-HIFRSBDPSA-N 1 1 289.335 1.662 40 0 CDABMO Cc1ccc(CN2CCO[C@@]3(C2)COCC[N@H+](C)C3)s1 ZINC000096229377 358724103 /nfs/dbraw/zinc/72/41/03/358724103.db2.gz VIWTYLKVIUDWKX-HNNXBMFYSA-N 1 1 296.436 1.590 40 0 CDABMO CC(C)n1nc(CNc2ncccn2)c2c1C[N@@H+](C)CC2 ZINC000096255953 358728620 /nfs/dbraw/zinc/72/86/20/358728620.db2.gz UPGFZVPBKNUMIS-UHFFFAOYSA-N 1 1 286.383 1.854 40 0 CDABMO Cc1n[nH]cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292940 358808133 /nfs/dbraw/zinc/80/81/33/358808133.db2.gz PZLFDVZPOFHWCA-BZUAXINKSA-N 1 1 287.363 1.039 40 0 CDABMO CC[C@H]1C[N@H+](CC(=O)NCc2ccco2)CCS1 ZINC000076072288 366967723 /nfs/dbraw/zinc/96/77/23/366967723.db2.gz XJKXBNRNAMRXIS-LBPRGKRZSA-N 1 1 268.382 1.723 40 0 CDABMO CC[C@H]1C[N@@H+](CC(=O)NCc2ccco2)CCS1 ZINC000076072288 366967724 /nfs/dbraw/zinc/96/77/24/366967724.db2.gz XJKXBNRNAMRXIS-LBPRGKRZSA-N 1 1 268.382 1.723 40 0 CDABMO O=C(c1cccs1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000225626962 375173687 /nfs/dbraw/zinc/17/36/87/375173687.db2.gz YJDPMDJMFQQMBR-LBPRGKRZSA-N 1 1 280.393 1.419 40 0 CDABMO CCOC[C@H](O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000225633606 375174836 /nfs/dbraw/zinc/17/48/36/375174836.db2.gz CSQLBMVRESQGGG-QWHCGFSZSA-N 1 1 250.342 1.268 40 0 CDABMO Cc1nn(C)cc1C[NH2+]Cc1c(C)nn(C)c1F ZINC000256054982 190005764 /nfs/dbraw/zinc/00/57/64/190005764.db2.gz YQAIKSDPTOKAKE-UHFFFAOYSA-N 1 1 251.309 1.199 40 0 CDABMO Cc1nccc([C@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)n1 ZINC000257203912 190011709 /nfs/dbraw/zinc/01/17/09/190011709.db2.gz ASDXKTGUXIWXOM-AWEZNQCLSA-N 1 1 291.395 1.506 40 0 CDABMO O[C@H]1C[N@@H+](CCOc2ccccc2)C[C@@]12CCCO2 ZINC000257214790 190012784 /nfs/dbraw/zinc/01/27/84/190012784.db2.gz CNLCLBXFDLPPHN-GJZGRUSLSA-N 1 1 263.337 1.291 40 0 CDABMO COCC[N@H+](C)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257292609 190027720 /nfs/dbraw/zinc/02/77/20/190027720.db2.gz QMHCIZUFIWTKHH-CYBMUJFWSA-N 1 1 265.357 1.796 40 0 CDABMO COCC[N@@H+](C)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257292609 190027721 /nfs/dbraw/zinc/02/77/21/190027721.db2.gz QMHCIZUFIWTKHH-CYBMUJFWSA-N 1 1 265.357 1.796 40 0 CDABMO Cn1cc(-c2cncc(C[C@H]3CC[N@@H+](C)C3)n2)cn1 ZINC000257319938 190033640 /nfs/dbraw/zinc/03/36/40/190033640.db2.gz VURDBTJLCGRPNK-LLVKDONJSA-N 1 1 257.341 1.371 40 0 CDABMO O[C@H]1CSc2nc3c(n2C1)[NH+]=CN1CCS[C@@H]31 ZINC000016138202 285368383 /nfs/dbraw/zinc/36/83/83/285368383.db2.gz KOQJWSDVJJJSMP-MUWHJKNJSA-N 1 1 268.367 1.071 40 0 CDABMO Cn1cc(N2C(=O)C[C@H]3[C@H]2CC[N@H+]3CC2CC2)cn1 ZINC000248080036 390456752 /nfs/dbraw/zinc/45/67/52/390456752.db2.gz AHCCEGFPJCDNCA-OLZOCXBDSA-N 1 1 260.341 1.010 40 0 CDABMO O=c1c2c(nc3[nH]cnn31)CC[N@H+](Cc1ccccc1)C2 ZINC000035314871 285380334 /nfs/dbraw/zinc/38/03/34/285380334.db2.gz QNRSGYCJHJZCRV-UHFFFAOYSA-N 1 1 281.319 1.388 40 0 CDABMO C/C(=C\c1ccccc1)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000180481784 533410920 /nfs/dbraw/zinc/41/09/20/533410920.db2.gz FMKSJXMCMABHKH-BMQCOBNYSA-N 1 1 271.364 1.799 40 0 CDABMO C/C(=C\c1ccccc1)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000180481784 533410925 /nfs/dbraw/zinc/41/09/25/533410925.db2.gz FMKSJXMCMABHKH-BMQCOBNYSA-N 1 1 271.364 1.799 40 0 CDABMO COCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832979 174157535 /nfs/dbraw/zinc/15/75/35/174157535.db2.gz QFPYHQWMPGULOQ-HNNXBMFYSA-N 1 1 276.380 1.661 40 0 CDABMO Cc1cc2c(cc1C[N@H+]1CCC[C@@H](CO)C1)OCO2 ZINC000072397877 176395622 /nfs/dbraw/zinc/39/56/22/176395622.db2.gz PXJVUWDPNBJNIO-GFCCVEGCSA-N 1 1 263.337 1.928 40 0 CDABMO CNC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H]1C(=O)NC(C)C ZINC000096112948 265329807 /nfs/dbraw/zinc/32/98/07/265329807.db2.gz UWFJCDUDKOWDNU-QWHCGFSZSA-N 1 1 283.416 1.136 40 0 biogenic,in-vitro CDABMO CNC(=O)[C@]1(C)C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072379658 277255468 /nfs/dbraw/zinc/25/54/68/277255468.db2.gz KITLXENULZIDBH-KRWDZBQOSA-N 1 1 299.374 1.572 40 0 CDABMO CNC(=O)[C@]1(C)C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072379658 277255469 /nfs/dbraw/zinc/25/54/69/277255469.db2.gz KITLXENULZIDBH-KRWDZBQOSA-N 1 1 299.374 1.572 40 0 CDABMO CCN1CC(=O)N([C@H]2C[N@H+](C)Cc3ccccc32)C1=O ZINC000777663494 933106280 /nfs/dbraw/zinc/10/62/80/933106280.db2.gz FITKAUQUSHTCQZ-ZDUSSCGKSA-N 1 1 273.336 1.457 40 0 CDABMO CCN1CC(=O)N([C@H]2C[N@@H+](C)Cc3ccccc32)C1=O ZINC000777663494 933106284 /nfs/dbraw/zinc/10/62/84/933106284.db2.gz FITKAUQUSHTCQZ-ZDUSSCGKSA-N 1 1 273.336 1.457 40 0 CDABMO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)s1 ZINC000096055865 185077518 /nfs/dbraw/zinc/07/75/18/185077518.db2.gz NFKFYSZRZJNWMS-OLZOCXBDSA-N 1 1 287.392 1.786 40 0 CDABMO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CC2)s1 ZINC000096055871 185077730 /nfs/dbraw/zinc/07/77/30/185077730.db2.gz WFQLNQIMVHSBHQ-MNOVXSKESA-N 1 1 250.371 1.601 40 0 CDABMO CO[C@H]1CO[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096072204 185088126 /nfs/dbraw/zinc/08/81/26/185088126.db2.gz IMFKAMGAHALLJC-ZYHUDNBSSA-N 1 1 254.355 1.523 40 0 CDABMO CO[C@H]1CO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096072204 185088127 /nfs/dbraw/zinc/08/81/27/185088127.db2.gz IMFKAMGAHALLJC-ZYHUDNBSSA-N 1 1 254.355 1.523 40 0 CDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C(=O)OCc1ccccc1 ZINC000228980742 539088589 /nfs/dbraw/zinc/08/85/89/539088589.db2.gz PFWDUAUMYWDGNJ-STQMWFEESA-N 1 1 277.320 1.081 40 0 CDABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103493 342212810 /nfs/dbraw/zinc/21/28/10/342212810.db2.gz HJCUHOJDAUKPOW-CYBMUJFWSA-N 1 1 298.402 1.838 40 0 CDABMO CC(C)[N@@H+]1Cc2cccn2C[C@@H](Oc2ncccn2)C1 ZINC000585112963 342213623 /nfs/dbraw/zinc/21/36/23/342213623.db2.gz XDQXLZWDOQMTBV-CQSZACIVSA-N 1 1 272.352 1.950 40 0 CDABMO COCC[N@H+]1CCC[C@@H]1c1nc(C)ncc1CNC(C)=O ZINC000257235447 362579051 /nfs/dbraw/zinc/57/90/51/362579051.db2.gz GXWIPYVDZFYGFD-CQSZACIVSA-N 1 1 292.383 1.204 40 0 CDABMO CN1C(=O)c2cccn2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131904 201844324 /nfs/dbraw/zinc/84/43/24/201844324.db2.gz KSJNQNHNZJAPAK-LSDHHAIUSA-N 1 1 282.347 1.394 40 0 CDABMO CN1C(=O)c2cccn2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131904 201844326 /nfs/dbraw/zinc/84/43/26/201844326.db2.gz KSJNQNHNZJAPAK-LSDHHAIUSA-N 1 1 282.347 1.394 40 0 CDABMO CCN1CC[C@@]2(CCC[N@@H+](C[C@H]3CCOC3)C2)C1=O ZINC000107229124 186163139 /nfs/dbraw/zinc/16/31/39/186163139.db2.gz MXXXYCCCNQEWCF-UKRRQHHQSA-N 1 1 266.385 1.357 40 0 CDABMO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000022030738 356597981 /nfs/dbraw/zinc/59/79/81/356597981.db2.gz SVDQKJGGPAZMQT-HNNXBMFYSA-N 1 1 292.423 1.797 40 0 CDABMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cccnc2)C1 ZINC000046967437 357151191 /nfs/dbraw/zinc/15/11/91/357151191.db2.gz ROMNNZSYXKYKQS-ZDUSSCGKSA-N 1 1 261.369 1.933 40 0 CDABMO COCC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000058418580 357401527 /nfs/dbraw/zinc/40/15/27/357401527.db2.gz NTHFVARJYCYCLY-UHFFFAOYSA-N 1 1 259.309 1.443 40 0 CDABMO COCC[N@H+]1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039924 358706247 /nfs/dbraw/zinc/70/62/47/358706247.db2.gz QASASMSFTLZCOM-HZPDHXFCSA-N 1 1 283.412 1.931 40 0 CDABMO Fc1cnc(N2CC[N@H+]3C[C@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000096183287 358713071 /nfs/dbraw/zinc/71/30/71/358713071.db2.gz VWPNXGVZUPGRHO-UONOGXRCSA-N 1 1 292.358 1.305 40 0 CDABMO CC[N@@H+]1CCCn2c(=O)cc(CNc3ccccn3)nc2C1 ZINC000096197684 358716140 /nfs/dbraw/zinc/71/61/40/358716140.db2.gz CUFXLFWNMPOTAD-UHFFFAOYSA-N 1 1 299.378 1.476 40 0 CDABMO CC[N@H+]1CCCn2c(=O)cc(CNc3ccccn3)nc2C1 ZINC000096197684 358716145 /nfs/dbraw/zinc/71/61/45/358716145.db2.gz CUFXLFWNMPOTAD-UHFFFAOYSA-N 1 1 299.378 1.476 40 0 CDABMO Cc1ccc(NCc2cn3c(n2)C[N@H+](CC2CC2)CC3)nn1 ZINC000096197530 358716494 /nfs/dbraw/zinc/71/64/94/358716494.db2.gz FTSBKDDINLGMDA-UHFFFAOYSA-N 1 1 298.394 1.819 40 0 CDABMO Cc1ccc2c([nH+]1)N(C)CCN(c1ncccn1)C2 ZINC000096199000 358717377 /nfs/dbraw/zinc/71/73/77/358717377.db2.gz ZXTIIWSKNRWIEX-UHFFFAOYSA-N 1 1 255.325 1.636 40 0 CDABMO C[N@H+]1CC[C@]2(C1)COCCN(C(=O)Cc1ccsc1)C2 ZINC000096201947 358719132 /nfs/dbraw/zinc/71/91/32/358719132.db2.gz PPTQNOFWAPWTIY-OAHLLOKOSA-N 1 1 294.420 1.471 40 0 CDABMO CC(C)C[N@H+]1C[C@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1 ZINC000096245134 358725031 /nfs/dbraw/zinc/72/50/31/358725031.db2.gz MNNLIPACERUJGU-GJZGRUSLSA-N 1 1 273.380 1.628 40 0 CDABMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C(C)(C)C1 ZINC000253408220 373710492 /nfs/dbraw/zinc/71/04/92/373710492.db2.gz XFRLPXUYZNWSDS-OAHLLOKOSA-N 1 1 287.407 1.537 40 0 biogenic,in-vitro CDABMO Cc1[nH+]ccn1C[C@H]1CCCN1c1cn[nH]c(=O)c1Cl ZINC000225597542 375170516 /nfs/dbraw/zinc/17/05/16/375170516.db2.gz QCVXYFBZGZIFJA-SNVBAGLBSA-N 1 1 293.758 1.597 40 0 CDABMO CCn1nc(C)c(C[NH2+]Cc2cnn(C)c2C)c1F ZINC000256053260 190004861 /nfs/dbraw/zinc/00/48/61/190004861.db2.gz QSZAMIAGTPXULS-UHFFFAOYSA-N 1 1 265.336 1.682 40 0 CDABMO C[N@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000257250991 190019845 /nfs/dbraw/zinc/01/98/45/190019845.db2.gz JOWRMDFCZQMDBB-UHFFFAOYSA-N 1 1 285.351 1.045 40 0 CDABMO C[N@@H+](Cc1ccnc([C@@H]2CCCO2)n1)C1CCOCC1 ZINC000257251290 190020270 /nfs/dbraw/zinc/02/02/70/190020270.db2.gz JQCZBSBOBRWAHS-AWEZNQCLSA-N 1 1 277.368 1.939 40 0 CDABMO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000257269718 190024100 /nfs/dbraw/zinc/02/41/00/190024100.db2.gz MRBYRVUNCKKYIP-NSHDSACASA-N 1 1 288.351 1.694 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2scnc2C)C[C@@]12CCCO2 ZINC000257272247 190024143 /nfs/dbraw/zinc/02/41/43/190024143.db2.gz NBPQOMWVNPHBMX-STQMWFEESA-N 1 1 268.382 1.831 40 0 CDABMO CCn1cc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cn1 ZINC000257291813 190027747 /nfs/dbraw/zinc/02/77/47/190027747.db2.gz QISFCHDZJLDADW-KBPBESRZSA-N 1 1 265.357 1.019 40 0 CDABMO C[N@H+]1CCC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 ZINC000257298580 190029558 /nfs/dbraw/zinc/02/95/58/190029558.db2.gz RMIXBBJMKLLAAL-GFCCVEGCSA-N 1 1 284.363 1.979 40 0 CDABMO CC[C@@H](CO)NC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069472750 378118912 /nfs/dbraw/zinc/11/89/12/378118912.db2.gz TXNAZQHOLLNFJL-KBPBESRZSA-N 1 1 297.443 1.854 40 0 CDABMO [NH3+]Cc1nc(-c2cc3cccc4c3n(c2=O)CC4)no1 ZINC000062710745 256724587 /nfs/dbraw/zinc/72/45/87/256724587.db2.gz JWDUYKYFHLWZFX-UHFFFAOYSA-N 1 1 268.276 1.066 40 0 CDABMO CC[NH+]1CCN(C(=O)COc2ccccc2C)CC1 ZINC000035299888 256797711 /nfs/dbraw/zinc/79/77/11/256797711.db2.gz KHBQWEIFKVQILN-UHFFFAOYSA-N 1 1 262.353 1.538 40 0 CDABMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000096215226 256825036 /nfs/dbraw/zinc/82/50/36/256825036.db2.gz RVNWPTBSTOMODB-ZDUSSCGKSA-N 1 1 265.382 1.701 40 0 CDABMO Cc1cc([C@@H]2CCC[N@@H+]2C)cnc1N1CCOCC1 ZINC000072219325 390623012 /nfs/dbraw/zinc/62/30/12/390623012.db2.gz ZFVUBUVXLUXHGD-AWEZNQCLSA-N 1 1 261.369 1.993 40 0 CDABMO COC[C@H]1CC2(C[N@H+]1C)CCN(c1ncc(F)cn1)CC2 ZINC000096206927 390913592 /nfs/dbraw/zinc/91/35/92/390913592.db2.gz ZXUCPKUGVAUDEW-CYBMUJFWSA-N 1 1 294.374 1.553 40 0 CDABMO CC(C)[N@@H+](C)CCOC(=O)c1ccc2c(c1)OCO2 ZINC000005018092 170056130 /nfs/dbraw/zinc/05/61/30/170056130.db2.gz ZAOQEDWEXGRJGR-UHFFFAOYSA-N 1 1 265.309 1.912 40 0 CDABMO Cc1nc(CCC(N)=O)cc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366558 176381880 /nfs/dbraw/zinc/38/18/80/176381880.db2.gz IEDDUQVLUGAFLT-CQSZACIVSA-N 1 1 276.384 1.748 40 0 CDABMO COCC[NH+]1CCN(Cc2cnc(C(C)C)nc2)CC1 ZINC000072397873 176395853 /nfs/dbraw/zinc/39/58/53/176395853.db2.gz AXCDTPZTSQWFAZ-UHFFFAOYSA-N 1 1 278.400 1.364 40 0 CDABMO O[C@H]1COCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000077266031 177247533 /nfs/dbraw/zinc/24/75/33/177247533.db2.gz VXSZDXJDPCJHER-LLVKDONJSA-N 1 1 291.269 1.778 40 0 biogenic,in-vitro CDABMO C[N@@H+](CCO)CCC(=O)Nc1ccc(Cl)cc1F ZINC000078406527 177338752 /nfs/dbraw/zinc/33/87/52/177338752.db2.gz SURDIXZIJZPZOE-UHFFFAOYSA-N 1 1 274.723 1.732 40 0 CDABMO C[NH+]1CC2(C1)C[C@@H](CCOc1ccccn1)CCO2 ZINC000248088347 277022690 /nfs/dbraw/zinc/02/26/90/277022690.db2.gz UJEIAEVWDBOMSJ-ZDUSSCGKSA-N 1 1 262.353 1.961 40 0 CDABMO COC(=O)c1ccc2c(c1)OCC[C@@]21COCC[NH2+]1 ZINC000306145822 277439484 /nfs/dbraw/zinc/43/94/84/277439484.db2.gz RMSGHEBLLLDAQJ-CQSZACIVSA-N 1 1 263.293 1.071 40 0 CDABMO CCN(CC)C[C@H](O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000004721591 279133072 /nfs/dbraw/zinc/13/30/72/279133072.db2.gz UHQFQSLVYHDGKB-KFWWJZLASA-N 1 1 254.418 1.811 40 0 CDABMO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC000130878199 323210751 /nfs/dbraw/zinc/21/07/51/323210751.db2.gz RSFZWUNZKVJMJV-VXGBXAGGSA-N 1 1 292.383 1.861 40 0 CDABMO CCOc1cc([C@H]([NH3+])c2nc(C)n(C)n2)ccc1OC ZINC000095534494 185007471 /nfs/dbraw/zinc/00/74/71/185007471.db2.gz PLZHDESSFUVVAE-ZDUSSCGKSA-N 1 1 276.340 1.579 40 0 CDABMO COCC(=O)N1CCC2(C[C@H](COC)[N@H+](C(C)C)C2)CC1 ZINC000096051774 185074698 /nfs/dbraw/zinc/07/46/98/185074698.db2.gz XTLGTEJURXLCTO-CQSZACIVSA-N 1 1 298.427 1.371 40 0 CDABMO CCOc1ncnc2c1CC[N@@H+](Cc1ccncc1)CC2 ZINC000096058763 185079588 /nfs/dbraw/zinc/07/95/88/185079588.db2.gz COFQDILYOSBUAN-UHFFFAOYSA-N 1 1 284.363 1.871 40 0 CDABMO O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccncc2)N1CC1CC1 ZINC000096081287 185091516 /nfs/dbraw/zinc/09/15/16/185091516.db2.gz KOYGPXBKSNQJAG-GJZGRUSLSA-N 1 1 271.364 1.667 40 0 CDABMO CCC(=O)N1CC[C@H](OC)[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000096109500 185099572 /nfs/dbraw/zinc/09/95/72/185099572.db2.gz REMSGRMJYCWMBG-ZNMIVQPWSA-N 1 1 292.379 1.737 40 0 CDABMO Cn1cnc2c1C[C@H](CO)[N@@H+](CCc1ccccc1)C2 ZINC000585094858 342211428 /nfs/dbraw/zinc/21/14/28/342211428.db2.gz QRUWRPSOPXYZEQ-CQSZACIVSA-N 1 1 271.364 1.382 40 0 CDABMO C[N@H+]1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1 ZINC000585102452 342212558 /nfs/dbraw/zinc/21/25/58/342212558.db2.gz PMKVGSUXPXJZSI-UHFFFAOYSA-N 1 1 284.375 1.449 40 0 CDABMO CCn1nccc1C[N@H+]1C[C@H]2CCC[C@]2(C(=O)OC)C1 ZINC000221366461 342301953 /nfs/dbraw/zinc/30/19/53/342301953.db2.gz FQDGPIADCAUKGN-DOMZBBRYSA-N 1 1 277.368 1.678 40 0 CDABMO C[N@@H+]1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000248146413 362153733 /nfs/dbraw/zinc/15/37/33/362153733.db2.gz RWSNTIHRLMNBIJ-ZDUSSCGKSA-N 1 1 290.392 1.290 40 0 CDABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cnccn1 ZINC000257221147 362577477 /nfs/dbraw/zinc/57/74/77/362577477.db2.gz DNRNGRQDONGAKQ-AWEZNQCLSA-N 1 1 298.346 1.272 40 0 CDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1C(=O)OCc1ccccc1 ZINC000230489051 345628884 /nfs/dbraw/zinc/62/88/84/345628884.db2.gz PFWDUAUMYWDGNJ-QWHCGFSZSA-N 1 1 277.320 1.081 40 0 CDABMO O=C1NC(=O)C2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1 ZINC000031672092 356768691 /nfs/dbraw/zinc/76/86/91/356768691.db2.gz MMCFCBDHHTUROH-UHFFFAOYSA-N 1 1 287.319 1.475 40 0 CDABMO CN(C(=O)C[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404150 356989193 /nfs/dbraw/zinc/98/91/93/356989193.db2.gz UAMBYWJSZMCXEZ-CQSZACIVSA-N 1 1 261.369 1.068 40 0 CDABMO CN(C(=O)CN)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404150 356989197 /nfs/dbraw/zinc/98/91/97/356989197.db2.gz UAMBYWJSZMCXEZ-CQSZACIVSA-N 1 1 261.369 1.068 40 0 CDABMO CCOC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060094 358707367 /nfs/dbraw/zinc/70/73/67/358707367.db2.gz WLQDSCJRDKSCRH-HNNXBMFYSA-N 1 1 293.411 1.782 40 0 CDABMO Cn1cc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@H]3C2)cn1 ZINC000096183272 358713367 /nfs/dbraw/zinc/71/33/67/358713367.db2.gz NCAMOZYNKFWSLB-JKSUJKDBSA-N 1 1 290.411 1.105 40 0 CDABMO C[NH+](C)CCO[C@H]1CN(Cc2ccco2)[C@@H]2COC[C@H]12 ZINC000096184982 358714314 /nfs/dbraw/zinc/71/43/14/358714314.db2.gz PMTGZLDQVVOPQL-ZNMIVQPWSA-N 1 1 280.368 1.057 40 0 CDABMO COc1ncccc1C[N@@H+]1C[C@@H]2COC[C@@H](N(C)C)[C@@H]2C1 ZINC000096186814 358715411 /nfs/dbraw/zinc/71/54/11/358715411.db2.gz JACAXMPXWSZBJH-RBSFLKMASA-N 1 1 291.395 1.099 40 0 CDABMO COc1ncccc1C[N@H+]1C[C@@H]2COC[C@@H](N(C)C)[C@@H]2C1 ZINC000096186814 358715413 /nfs/dbraw/zinc/71/54/13/358715413.db2.gz JACAXMPXWSZBJH-RBSFLKMASA-N 1 1 291.395 1.099 40 0 CDABMO Cn1cc(C[N@@H+]2CCN(C)c3ncccc3C2)cn1 ZINC000096198781 358717294 /nfs/dbraw/zinc/71/72/94/358717294.db2.gz BKDFYNUZLFBKEX-UHFFFAOYSA-N 1 1 257.341 1.267 40 0 CDABMO Cn1cc(C[N@H+]2CCN(C)c3ncccc3C2)cn1 ZINC000096198781 358717297 /nfs/dbraw/zinc/71/72/97/358717297.db2.gz BKDFYNUZLFBKEX-UHFFFAOYSA-N 1 1 257.341 1.267 40 0 CDABMO O[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200038 358717525 /nfs/dbraw/zinc/71/75/25/358717525.db2.gz LZKVVOHGYNJTET-HRCADAONSA-N 1 1 261.365 1.701 40 0 CDABMO Cc1noc(C[C@H]2C[C@H]3C[N@H+](C4CCOCC4)C[C@H]3O2)n1 ZINC000096219963 358722372 /nfs/dbraw/zinc/72/23/72/358722372.db2.gz WZHZCOOHEKJFFC-IACUBPJLSA-N 1 1 293.367 1.189 40 0 CDABMO CC(=O)N1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC000096268725 358730312 /nfs/dbraw/zinc/73/03/12/358730312.db2.gz OBSBYWZZUYLNOL-GJZGRUSLSA-N 1 1 266.385 1.357 40 0 CDABMO COc1ccccc1OCC(=O)NCCn1cc[nH+]c1C ZINC000049460930 373999543 /nfs/dbraw/zinc/99/95/43/373999543.db2.gz ZXSKAFJFQRYBEZ-UHFFFAOYSA-N 1 1 289.335 1.395 40 0 CDABMO Cc1ccc(OCC[C@H](O)CN2CC[NH+](C)CC2)cc1C ZINC000028295308 375239257 /nfs/dbraw/zinc/23/92/57/375239257.db2.gz WBYVTDDNZJEJPW-INIZCTEOSA-N 1 1 292.423 1.681 40 0 CDABMO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cnn(C)c2)C1 ZINC000230163966 375528573 /nfs/dbraw/zinc/52/85/73/375528573.db2.gz YEXXIVAENYCGHI-MBNYWOFBSA-N 1 1 250.390 1.799 40 0 CDABMO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000230163966 375528577 /nfs/dbraw/zinc/52/85/77/375528577.db2.gz YEXXIVAENYCGHI-MBNYWOFBSA-N 1 1 250.390 1.799 40 0 CDABMO CCn1nccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000256051974 190003562 /nfs/dbraw/zinc/00/35/62/190003562.db2.gz LITHQDAUTCSPTE-UHFFFAOYSA-N 1 1 251.309 1.359 40 0 CDABMO NC(=O)C1CC[NH+](Cc2ccnc([C@@H]3CCCO3)n2)CC1 ZINC000257233645 190016622 /nfs/dbraw/zinc/01/66/22/190016622.db2.gz GQCGUBLSHDOGSA-ZDUSSCGKSA-N 1 1 290.367 1.025 40 0 CDABMO Cc1nc(C(=O)NCC2CC2)cc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257246088 190019133 /nfs/dbraw/zinc/01/91/33/190019133.db2.gz ISKUTDXWYTYUBK-ZDUSSCGKSA-N 1 1 288.395 1.734 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ccnc(C)n2)CC[C@@]12CCCO2 ZINC000257307637 190031566 /nfs/dbraw/zinc/03/15/66/190031566.db2.gz SZPQGJULJJVLQK-GJZGRUSLSA-N 1 1 277.368 1.555 40 0 CDABMO C[C@]12CCCN(C(=O)CN3CCCCC3)[C@@H]1CCC[NH2+]2 ZINC000257299431 190028914 /nfs/dbraw/zinc/02/89/14/190028914.db2.gz RQAUCBJDXHIYPS-ZBFHGGJFSA-N 1 1 279.428 1.605 40 0 CDABMO Cn1cc(-c2cncc(C[C@@H]3CC[N@@H+](C)C3)n2)cn1 ZINC000257319939 190033165 /nfs/dbraw/zinc/03/31/65/190033165.db2.gz VURDBTJLCGRPNK-NSHDSACASA-N 1 1 257.341 1.371 40 0 CDABMO COC(=O)[C@@H]([NH3+])Cc1c[nH]c2c1cccc2Cl ZINC000032303350 375933634 /nfs/dbraw/zinc/93/36/34/375933634.db2.gz WCSCFRDQHOTFSS-JTQLQIEISA-N 1 1 252.701 1.864 40 0 CDABMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CCC(F)(F)C1 ZINC000331307051 376910523 /nfs/dbraw/zinc/91/05/23/376910523.db2.gz GGYBGZJRKJKPAE-RYUDHWBXSA-N 1 1 290.354 1.385 40 0 CDABMO C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000063527723 378303566 /nfs/dbraw/zinc/30/35/66/378303566.db2.gz BHJJIGZTJIVBMD-GFCCVEGCSA-N 1 1 252.358 1.110 40 0 CDABMO CC[N@@H+]1CCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216574 390622131 /nfs/dbraw/zinc/62/21/31/390622131.db2.gz BLNBEPWRWBDJKX-HNNXBMFYSA-N 1 1 274.412 1.990 40 0 CDABMO CC[N@H+]1CCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216574 390622132 /nfs/dbraw/zinc/62/21/32/390622132.db2.gz BLNBEPWRWBDJKX-HNNXBMFYSA-N 1 1 274.412 1.990 40 0 CDABMO CC(C)[N@H+]1Cc2ncn(C)c2[C@@H](C(=O)N2CC=CC2)C1 ZINC000248029397 391426061 /nfs/dbraw/zinc/42/60/61/391426061.db2.gz KQHJNQFFKOOCRS-LBPRGKRZSA-N 1 1 274.368 1.126 40 0 CDABMO CC(C)[N@@H+]1Cc2ncn(C)c2[C@@H](C(=O)N2CC=CC2)C1 ZINC000248029397 391426063 /nfs/dbraw/zinc/42/60/63/391426063.db2.gz KQHJNQFFKOOCRS-LBPRGKRZSA-N 1 1 274.368 1.126 40 0 CDABMO CCCC(=O)N1CC2(C1)C[C@H](COC)CC[N@H+]2C ZINC000306144359 392105416 /nfs/dbraw/zinc/10/54/16/392105416.db2.gz ZDIZNCZAHFFXRN-GFCCVEGCSA-N 1 1 254.374 1.356 40 0 CDABMO C[N@H+]1CCC[C@H](CNC(=S)NC2CCCC2)C1 ZINC000009876471 170388437 /nfs/dbraw/zinc/38/84/37/170388437.db2.gz SJWWIKHTOLVSNK-LLVKDONJSA-N 1 1 255.431 1.735 40 0 CDABMO COCC[N@H+]1CCC[C@@H]1c1cc(CCC(N)=O)cc(C)n1 ZINC000072360459 176376748 /nfs/dbraw/zinc/37/67/48/176376748.db2.gz VHRBTPDXZXHSMB-OAHLLOKOSA-N 1 1 291.395 1.591 40 0 CDABMO Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(=O)NC3)cc1 ZINC000072373432 176384682 /nfs/dbraw/zinc/38/46/82/176384682.db2.gz ICJJBVIBSHZMQM-UONOGXRCSA-N 1 1 287.363 1.286 40 0 CDABMO COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1CO ZINC000072397542 176395275 /nfs/dbraw/zinc/39/52/75/176395275.db2.gz JQFVYZLHYDTKKA-CZUORRHYSA-N 1 1 290.407 1.856 40 0 CDABMO CC(C)(C)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000078345207 177334206 /nfs/dbraw/zinc/33/42/06/177334206.db2.gz YZYNOGJSQZWYDL-UHFFFAOYSA-N 1 1 275.396 1.814 40 0 CDABMO O=C1N(Cc2cccnc2)C[C@H]2C[N@H+](C3CCC3)CCN12 ZINC000077266570 275021432 /nfs/dbraw/zinc/02/14/32/275021432.db2.gz WWIWYKCRTNSVKA-OAHLLOKOSA-N 1 1 286.379 1.556 40 0 biogenic,in-vitro CDABMO COC(=O)[C@@H]1C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072398210 327110315 /nfs/dbraw/zinc/11/03/15/327110315.db2.gz OCBUHOSYXFYIPV-IPYPFGDCSA-N 1 1 291.322 1.921 40 0 CDABMO COC(=O)[C@@H]1C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072398210 327110316 /nfs/dbraw/zinc/11/03/16/327110316.db2.gz OCBUHOSYXFYIPV-IPYPFGDCSA-N 1 1 291.322 1.921 40 0 CDABMO O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@H]2NC1=O)NC1CCCCC1 ZINC000250866522 334352555 /nfs/dbraw/zinc/35/25/55/334352555.db2.gz RNELIEXFFBGTBO-MCIONIFRSA-N 1 1 293.411 1.225 40 0 CDABMO CCCC[N@@H+](C)C[C@@H]1[C@H](CC)CN(C(=O)C2CC2)[C@@H]1CO ZINC001772594982 1159307823 /nfs/dbraw/zinc/30/78/23/1159307823.db2.gz MQNZPVPBTUWGCF-FVQBIDKESA-N 1 1 296.455 1.974 40 0 CDABMO Cc1nc(NCC2(S(N)(=O)=O)CCC2)c(C)c(C)[nH+]1 ZINC000895605650 619763148 /nfs/dbraw/zinc/76/31/48/619763148.db2.gz JZHNMJUOVZJBFQ-UHFFFAOYSA-N 1 1 284.385 1.025 40 0 CDABMO COc1ccc([C@@H]([NH3+])c2nc(-c3ccccn3)n[nH]2)cc1 ZINC000095533681 185006800 /nfs/dbraw/zinc/00/68/00/185006800.db2.gz NXXSPFONBYNVRV-CYBMUJFWSA-N 1 1 281.319 1.923 40 0 CDABMO CC[C@@H]1[N@@H+](Cc2cnn(C)c2)CCC[C@]12CCC(=O)N2 ZINC000096038491 185068926 /nfs/dbraw/zinc/06/89/26/185068926.db2.gz LJMRODXNDDYOTJ-ZFWWWQNUSA-N 1 1 276.384 1.443 40 0 CDABMO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@H+]3CC2CC2)n1 ZINC000096054045 185076616 /nfs/dbraw/zinc/07/66/16/185076616.db2.gz CZWLVAICGIJEEN-HOTGVXAUSA-N 1 1 285.391 1.975 40 0 CDABMO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2 ZINC000096058512 185078626 /nfs/dbraw/zinc/07/86/26/185078626.db2.gz AYVUXURVSBMLCQ-STQMWFEESA-N 1 1 260.337 1.836 40 0 CDABMO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](CC4CC4)C[C@H]3O2)n1 ZINC000096058209 185079416 /nfs/dbraw/zinc/07/94/16/185079416.db2.gz VZLLSYPDDMZIQW-YNEHKIRRSA-N 1 1 263.341 1.940 40 0 CDABMO CSCC[C@H](C)[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000072666056 361820506 /nfs/dbraw/zinc/82/05/06/361820506.db2.gz AIGZIGFVSBFLBY-YNEHKIRRSA-N 1 1 288.457 1.696 40 0 CDABMO O=C(NC1CC1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096066289 185084859 /nfs/dbraw/zinc/08/48/59/185084859.db2.gz QPDWXVDWPYNQBY-CFVMTHIKSA-N 1 1 290.363 1.538 40 0 CDABMO O=C(NC1CC1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096066289 185084862 /nfs/dbraw/zinc/08/48/62/185084862.db2.gz QPDWXVDWPYNQBY-CFVMTHIKSA-N 1 1 290.363 1.538 40 0 CDABMO c1nncn1[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000096073844 185088173 /nfs/dbraw/zinc/08/81/73/185088173.db2.gz OIPNZFOHLDQELK-HOTGVXAUSA-N 1 1 299.378 1.669 40 0 CDABMO Cc1csc(CN2C[C@@H]3C[N@@H+](C)CCO[C@@H]3C2)n1 ZINC000096107938 185099518 /nfs/dbraw/zinc/09/95/18/185099518.db2.gz QAOPLPAICRUOTA-NWDGAFQWSA-N 1 1 267.398 1.214 40 0 CDABMO CNC(=O)[C@@]1(C)CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000585263089 342250698 /nfs/dbraw/zinc/25/06/98/342250698.db2.gz JOHICPVQVQRHTC-AWEZNQCLSA-N 1 1 268.401 1.530 40 0 CDABMO CO[C@H]1CCC[N@@H+](CC2CCOCC2)[C@H]1CCC(N)=O ZINC000585277798 342256293 /nfs/dbraw/zinc/25/62/93/342256293.db2.gz YAYCJHOSGNDVIO-KBPBESRZSA-N 1 1 284.400 1.158 40 0 CDABMO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH+]1CCOCC1 ZINC000585289323 342258772 /nfs/dbraw/zinc/25/87/72/342258772.db2.gz HYRDFRNPMCUELK-ARFHVFGLSA-N 1 1 295.354 1.819 40 0 CDABMO C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(F)cc2)CC1 ZINC000085466915 179072742 /nfs/dbraw/zinc/07/27/42/179072742.db2.gz ZIQWSYQESWMPIW-LBPRGKRZSA-N 1 1 295.358 1.034 40 0 CDABMO Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)N(C)C)n1 ZINC000107253834 186164904 /nfs/dbraw/zinc/16/49/04/186164904.db2.gz OIXPDWCZPFCLLC-WDNDVIMCSA-N 1 1 274.368 1.091 40 0 CDABMO COc1cc(-c2noc([C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)ncn1 ZINC000333754475 363133721 /nfs/dbraw/zinc/13/37/21/363133721.db2.gz ANXFRGQQLZYBNF-UWVGGRQHSA-N 1 1 289.339 1.733 40 0 CDABMO CCOC(C[NH+](C)CC(OCC)OCC)OCC ZINC000028630650 356723416 /nfs/dbraw/zinc/72/34/16/356723416.db2.gz DPLOXPRJCFWURN-UHFFFAOYSA-N 1 1 263.378 1.716 40 0 CDABMO CN1C(SCc2ccccc2)=[NH+][C@H]2CS(=O)(=O)C[C@H]21 ZINC000032508673 356780742 /nfs/dbraw/zinc/78/07/42/356780742.db2.gz PZGJULCPIZZAGY-NWDGAFQWSA-N 1 1 296.417 1.387 40 0 CDABMO C[C@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404371 356991081 /nfs/dbraw/zinc/99/10/81/356991081.db2.gz OHVNPJOEJUILJY-JSGCOSHPSA-N 1 1 261.369 1.114 40 0 CDABMO NCC(=O)N(C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404315 356991350 /nfs/dbraw/zinc/99/13/50/356991350.db2.gz NPGBTYVYFSQFSI-MRXNPFEDSA-N 1 1 287.407 1.601 40 0 CDABMO NCC(=O)N(C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404315 356991353 /nfs/dbraw/zinc/99/13/53/356991353.db2.gz NPGBTYVYFSQFSI-MRXNPFEDSA-N 1 1 287.407 1.601 40 0 CDABMO CN(C[C@@H]1CC[N@@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079410944 356993846 /nfs/dbraw/zinc/99/38/46/356993846.db2.gz IJYRZGMTUFEJPH-HNNXBMFYSA-N 1 1 292.379 1.569 40 0 CDABMO CN1c2ncccc2C[N@@H+](C2CCOCC2)CC[C@H]1CO ZINC000225493078 283267441 /nfs/dbraw/zinc/26/74/41/283267441.db2.gz JBINPTLURABKEK-HNNXBMFYSA-N 1 1 291.395 1.263 40 0 biogenic,in-vitro CDABMO C[N@H+]1C[C@H](CO)CC12CN(C(=O)C1=CCCCC1)C2 ZINC000585093828 358098674 /nfs/dbraw/zinc/09/86/74/358098674.db2.gz ICZOCYKNRLBKRF-GFCCVEGCSA-N 1 1 264.369 1.012 40 0 CDABMO COC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000082334529 358160469 /nfs/dbraw/zinc/16/04/69/358160469.db2.gz ZXEXAKWRDSSWMC-LBPRGKRZSA-N 1 1 276.336 1.754 40 0 CDABMO CC[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC000096066352 358707407 /nfs/dbraw/zinc/70/74/07/358707407.db2.gz ZCRWJJIPZQJEMP-HZSPNIEDSA-N 1 1 282.384 1.287 40 0 CDABMO O=C(Cc1ccccn1)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000096184406 358713823 /nfs/dbraw/zinc/71/38/23/358713823.db2.gz CUWJHXFRWSZULP-JKSUJKDBSA-N 1 1 285.391 1.709 40 0 CDABMO Cn1cc(N2C[C@]3(CC[N@@H+](CC4CC4)C3)CC2=O)cn1 ZINC000096239324 358724984 /nfs/dbraw/zinc/72/49/84/358724984.db2.gz WEOYGRXWWHIMBE-OAHLLOKOSA-N 1 1 274.368 1.259 40 0 CDABMO O=C1[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2CN1c1cccnc1 ZINC000096245177 358725822 /nfs/dbraw/zinc/72/58/22/358725822.db2.gz SUNQNMDELBBPLS-HOCLYGCPSA-N 1 1 294.358 1.571 40 0 CDABMO COc1nn(C)c2c1CCC[N@H+](Cc1cccnc1)C2 ZINC000096254425 358727923 /nfs/dbraw/zinc/72/79/23/358727923.db2.gz VXFLMEZXQLAYDS-UHFFFAOYSA-N 1 1 272.352 1.772 40 0 CDABMO COc1nn(C)c2c1CCC[N@@H+](Cc1cccnc1)C2 ZINC000096254425 358727924 /nfs/dbraw/zinc/72/79/24/358727924.db2.gz VXFLMEZXQLAYDS-UHFFFAOYSA-N 1 1 272.352 1.772 40 0 CDABMO CCN(CC)C(=O)[C@H]1CCCCN1c1[nH+]cccc1N ZINC000095097837 366527120 /nfs/dbraw/zinc/52/71/20/366527120.db2.gz RHWOZSWSTRVCKI-CYBMUJFWSA-N 1 1 276.384 1.891 40 0 CDABMO O[C@H]1CSc2nc3c(n2C1)[NH+]=CN1CCS[C@H]31 ZINC000016138204 363725500 /nfs/dbraw/zinc/72/55/00/363725500.db2.gz KOQJWSDVJJJSMP-HZGVNTEJSA-N 1 1 268.367 1.071 40 0 CDABMO Cn1ccc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000293537294 370677878 /nfs/dbraw/zinc/67/78/78/370677878.db2.gz CJNNHRQUGWEFTQ-KRWDZBQOSA-N 1 1 297.402 1.958 40 0 CDABMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1cn[nH]c(=O)c1Cl ZINC000225597568 375169841 /nfs/dbraw/zinc/16/98/41/375169841.db2.gz QCVXYFBZGZIFJA-JTQLQIEISA-N 1 1 293.758 1.597 40 0 CDABMO Cc1cnn(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@@H+]3C)c1 ZINC000257202729 190010878 /nfs/dbraw/zinc/01/08/78/190010878.db2.gz ANBYUKOCTFKRSJ-HOCLYGCPSA-N 1 1 290.411 1.667 40 0 CDABMO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccncc2)CC[C@@H]1O ZINC000257213367 190013439 /nfs/dbraw/zinc/01/34/39/190013439.db2.gz CHGCYNUCQBKPNZ-GJZGRUSLSA-N 1 1 291.395 1.179 40 0 CDABMO Cc1nccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000257258578 190021701 /nfs/dbraw/zinc/02/17/01/190021701.db2.gz KUQHRENSRJSYQQ-GFCCVEGCSA-N 1 1 257.341 1.888 40 0 CDABMO Cc1cnc([C@H]2C[N@@H+](C3CCOCC3)CCO2)cn1 ZINC000257285494 190027204 /nfs/dbraw/zinc/02/72/04/190027204.db2.gz PHKBPKDPMYAGCZ-CQSZACIVSA-N 1 1 263.341 1.337 40 0 CDABMO Cc1cnc([C@H]2C[N@H+](C3CCOCC3)CCO2)cn1 ZINC000257285494 190027205 /nfs/dbraw/zinc/02/72/05/190027205.db2.gz PHKBPKDPMYAGCZ-CQSZACIVSA-N 1 1 263.341 1.337 40 0 CDABMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](Cc3ccccn3)CC[C@@H]2C1 ZINC000257273927 190024986 /nfs/dbraw/zinc/02/49/86/190024986.db2.gz NIURWJKPLIFFKQ-IIAWOOMASA-N 1 1 287.407 1.670 40 0 CDABMO O=C(C[N@H+]1CCC[C@@H](Cc2cccnc2)C1)N1CCCC1 ZINC000257292986 190027674 /nfs/dbraw/zinc/02/76/74/190027674.db2.gz QNSAHMBUIXDLFP-INIZCTEOSA-N 1 1 287.407 1.959 40 0 CDABMO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000257332779 190035728 /nfs/dbraw/zinc/03/57/28/190035728.db2.gz XYPIBKBFQPMOGZ-CQSZACIVSA-N 1 1 288.395 1.587 40 0 CDABMO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000257332779 190035729 /nfs/dbraw/zinc/03/57/29/190035729.db2.gz XYPIBKBFQPMOGZ-CQSZACIVSA-N 1 1 288.395 1.587 40 0 CDABMO CCC(CC)C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000224250909 376316735 /nfs/dbraw/zinc/31/67/35/376316735.db2.gz YKROGBZDLYNNOP-UHFFFAOYSA-N 1 1 291.399 1.603 40 0 CDABMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)CC(F)(F)F)CN1 ZINC000330945262 376360410 /nfs/dbraw/zinc/36/04/10/376360410.db2.gz GVYVJCWIBVRNTI-HBNTYKKESA-N 1 1 294.317 1.290 40 0 CDABMO OCc1cc(CC2([NH2+]Cc3ccccc3)COC2)no1 ZINC000067898039 377286408 /nfs/dbraw/zinc/28/64/08/377286408.db2.gz ROYASACAZLWRHK-UHFFFAOYSA-N 1 1 274.320 1.268 40 0 biogenic,in-vitro CDABMO C[N@H+](CC(=O)[O-])C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393364 390421240 /nfs/dbraw/zinc/42/12/40/390421240.db2.gz LFCSFILASHJVNC-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO C[NH+](CC(=O)[O-])C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393364 390421244 /nfs/dbraw/zinc/42/12/44/390421244.db2.gz LFCSFILASHJVNC-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO C[NH+](CC(=O)[O-])C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393364 390421246 /nfs/dbraw/zinc/42/12/46/390421246.db2.gz LFCSFILASHJVNC-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO CC(C)[N@@H+](CC(=O)NC1CCCC1)C1CCOCC1 ZINC000077323779 390946266 /nfs/dbraw/zinc/94/62/66/390946266.db2.gz ADNCWHJPMJNTPL-UHFFFAOYSA-N 1 1 268.401 1.935 40 0 CDABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N ZINC000020155630 171039083 /nfs/dbraw/zinc/03/90/83/171039083.db2.gz ABTSVIGRFALSOJ-UHFFFAOYSA-N 1 1 263.341 1.055 40 0 CDABMO [NH3+]C1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000072221286 176343343 /nfs/dbraw/zinc/34/33/43/176343343.db2.gz DUFCQEWYBVYRNC-UHFFFAOYSA-N 1 1 288.326 1.779 40 0 CDABMO Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]Cc2c[nH]cn2)cc1 ZINC000072321689 176368505 /nfs/dbraw/zinc/36/85/05/176368505.db2.gz AOOONXSJZWFPJS-KLHDSHLOSA-N 1 1 287.363 1.086 40 0 biogenic,in-vitro CDABMO OCC[N@H+]1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369816 176383976 /nfs/dbraw/zinc/38/39/76/176383976.db2.gz WNRPKNWHGLWFGV-LBPRGKRZSA-N 1 1 259.309 1.518 40 0 CDABMO C[N@H+]1CCC[C@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1 ZINC000072382862 176388146 /nfs/dbraw/zinc/38/81/46/176388146.db2.gz XYHFLLYGORLYLT-CYBMUJFWSA-N 1 1 288.395 1.597 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)c(F)c1 ZINC000072397604 176394990 /nfs/dbraw/zinc/39/49/90/176394990.db2.gz CRZXLNYGXHEUCK-CYZMBNFOSA-N 1 1 282.334 1.604 40 0 CDABMO COc1cccc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)c1 ZINC000077266751 177247260 /nfs/dbraw/zinc/24/72/60/177247260.db2.gz LZLUNDGDUDDCTL-ZDUSSCGKSA-N 1 1 275.352 1.247 40 0 biogenic,in-vitro CDABMO COc1cccc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)c1 ZINC000077266751 177247261 /nfs/dbraw/zinc/24/72/61/177247261.db2.gz LZLUNDGDUDDCTL-ZDUSSCGKSA-N 1 1 275.352 1.247 40 0 biogenic,in-vitro CDABMO CC(C)C[N@H+]1CCO[C@H](COC(=O)c2ccon2)C1 ZINC000077957559 177312864 /nfs/dbraw/zinc/31/28/64/177312864.db2.gz KSBGSSZZWSXUAU-NSHDSACASA-N 1 1 268.313 1.188 40 0 CDABMO CO[C@@H]1CO[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096072205 277304036 /nfs/dbraw/zinc/30/40/36/277304036.db2.gz IMFKAMGAHALLJC-CMPLNLGQSA-N 1 1 254.355 1.523 40 0 CDABMO CO[C@@H]1CO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096072205 277304037 /nfs/dbraw/zinc/30/40/37/277304037.db2.gz IMFKAMGAHALLJC-CMPLNLGQSA-N 1 1 254.355 1.523 40 0 CDABMO COc1ccccc1[C@@H]1CN(c2ncccn2)CC[N@@H+]1C ZINC000248084279 334294557 /nfs/dbraw/zinc/29/45/57/334294557.db2.gz AZZSRSHEOHCCDJ-AWEZNQCLSA-N 1 1 284.363 1.978 40 0 CDABMO COc1ccccc1[C@@H]1CN(c2ncccn2)CC[N@H+]1C ZINC000248084279 334294559 /nfs/dbraw/zinc/29/45/59/334294559.db2.gz AZZSRSHEOHCCDJ-AWEZNQCLSA-N 1 1 284.363 1.978 40 0 CDABMO CCOc1ccc([C@H]([NH3+])c2nc(C)n(C)n2)cc1OC ZINC000095534350 185007013 /nfs/dbraw/zinc/00/70/13/185007013.db2.gz VXGUJJJYWWCELM-ZDUSSCGKSA-N 1 1 276.340 1.579 40 0 CDABMO c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@H+](CC2CC2)C3)cn1 ZINC000096052080 185074634 /nfs/dbraw/zinc/07/46/34/185074634.db2.gz PKAXKJCIPPEIKT-CVEARBPZSA-N 1 1 291.395 1.401 40 0 CDABMO c1coc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1 ZINC000096053979 185075431 /nfs/dbraw/zinc/07/54/31/185075431.db2.gz SGMISRRRSGHPNK-BETUJISGSA-N 1 1 270.336 1.638 40 0 CDABMO C(OCC1CC1)c1nnn2c1C[N@@H+](CC1CC1)CCC2 ZINC000096058855 185078762 /nfs/dbraw/zinc/07/87/62/185078762.db2.gz PVVBEUIAQXQVNP-UHFFFAOYSA-N 1 1 276.384 1.820 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]2O1 ZINC000096058215 185079546 /nfs/dbraw/zinc/07/95/46/185079546.db2.gz HMJAUIJARCAHAA-CYZMBNFOSA-N 1 1 280.393 1.474 40 0 CDABMO O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccco2)N1c1cncnc1 ZINC000096081347 185091654 /nfs/dbraw/zinc/09/16/54/185091654.db2.gz OHUPWUWRLUWPMV-KBPBESRZSA-N 1 1 284.319 1.449 40 0 CDABMO C[NH+](C)C[C@@H]1OC[C@H]2CN(Cc3nccs3)CC[C@H]21 ZINC000096083113 185092612 /nfs/dbraw/zinc/09/26/12/185092612.db2.gz NTKJMOBSZMOSRC-UPJWGTAASA-N 1 1 281.425 1.542 40 0 CDABMO CN(C)C(=O)C12CC(C1)C[N@@H+]2Cc1ccsc1 ZINC000096083531 185092637 /nfs/dbraw/zinc/09/26/37/185092637.db2.gz VXRSKZGLVRIDNY-UHFFFAOYSA-N 1 1 250.367 1.801 40 0 CDABMO CN(C)C(=O)C12CC(C1)C[N@H+]2Cc1ccsc1 ZINC000096083531 185092638 /nfs/dbraw/zinc/09/26/38/185092638.db2.gz VXRSKZGLVRIDNY-UHFFFAOYSA-N 1 1 250.367 1.801 40 0 CDABMO COCC[N@H+]1CC[C@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096087602 185094180 /nfs/dbraw/zinc/09/41/80/185094180.db2.gz GSHMFAQRINBXTN-MRXNPFEDSA-N 1 1 294.395 1.450 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096100071 185098175 /nfs/dbraw/zinc/09/81/75/185098175.db2.gz LYZDRGHEPSSPRN-XQQFMLRXSA-N 1 1 264.325 1.005 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096100071 185098177 /nfs/dbraw/zinc/09/81/77/185098177.db2.gz LYZDRGHEPSSPRN-XQQFMLRXSA-N 1 1 264.325 1.005 40 0 CDABMO COc1ccccc1CN1C[C@@H]2C[N@@H+](C)CCO[C@@H]2C1 ZINC000096107939 185099851 /nfs/dbraw/zinc/09/98/51/185099851.db2.gz BXLJSJGHLVWLAX-GOEBONIOSA-N 1 1 276.380 1.458 40 0 CDABMO COc1ccccc1C[N@@H+]1C[C@@H]2CN(C)CCO[C@@H]2C1 ZINC000096107939 185099853 /nfs/dbraw/zinc/09/98/53/185099853.db2.gz BXLJSJGHLVWLAX-GOEBONIOSA-N 1 1 276.380 1.458 40 0 CDABMO COc1ccccc1C[N@H+]1C[C@@H]2CN(C)CCO[C@@H]2C1 ZINC000096107939 185099855 /nfs/dbraw/zinc/09/98/55/185099855.db2.gz BXLJSJGHLVWLAX-GOEBONIOSA-N 1 1 276.380 1.458 40 0 CDABMO Cc1ncc(C[N@@H+]2CCC[C@@]3(CN(C)C3=O)C2)s1 ZINC000585099484 342212267 /nfs/dbraw/zinc/21/22/67/342212267.db2.gz NIDGDWCAJXAASO-CYBMUJFWSA-N 1 1 265.382 1.506 40 0 CDABMO CO[C@@]1(COc2ccc(F)cc2)CCC[N@H+](CC(N)=O)C1 ZINC000585274676 342255930 /nfs/dbraw/zinc/25/59/30/342255930.db2.gz LYSULBJGOPOFDO-HNNXBMFYSA-N 1 1 296.342 1.171 40 0 CDABMO CO[C@@]1(COc2ccc(F)cc2)CCC[N@@H+](CC(N)=O)C1 ZINC000585274676 342255931 /nfs/dbraw/zinc/25/59/31/342255931.db2.gz LYSULBJGOPOFDO-HNNXBMFYSA-N 1 1 296.342 1.171 40 0 CDABMO O[C@@H]1C[N@H+](Cc2c[nH]cn2)CC[C@@H]1Cc1ccccc1 ZINC000585277283 342256478 /nfs/dbraw/zinc/25/64/78/342256478.db2.gz HLEWMTPPRXAHSS-GDBMZVCRSA-N 1 1 271.364 1.835 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2c[nH]cn2)CC[C@@H]1Cc1ccccc1 ZINC000585277283 342256479 /nfs/dbraw/zinc/25/64/79/342256479.db2.gz HLEWMTPPRXAHSS-GDBMZVCRSA-N 1 1 271.364 1.835 40 0 CDABMO O[C@@H]1C[N@H+](Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585277283 342256480 /nfs/dbraw/zinc/25/64/80/342256480.db2.gz HLEWMTPPRXAHSS-GDBMZVCRSA-N 1 1 271.364 1.835 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585277283 342256481 /nfs/dbraw/zinc/25/64/81/342256481.db2.gz HLEWMTPPRXAHSS-GDBMZVCRSA-N 1 1 271.364 1.835 40 0 CDABMO OC1C[NH+]([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)C1 ZINC000585290121 342258793 /nfs/dbraw/zinc/25/87/93/342258793.db2.gz SNUYNZXPQTXHDB-RRFJBIMHSA-N 1 1 297.782 1.677 40 0 CDABMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccnc2C)C1 ZINC000623743280 345452335 /nfs/dbraw/zinc/45/23/35/345452335.db2.gz OLBQYWDGSMBIID-BXUZGUMPSA-N 1 1 276.384 1.529 40 0 CDABMO Cc1cccc(N2CCO[C@@H](c3nccnc3N(C)C)C2)[nH+]1 ZINC000257304364 362583557 /nfs/dbraw/zinc/58/35/57/362583557.db2.gz SLHQKDMCILLUJD-CYBMUJFWSA-N 1 1 299.378 1.824 40 0 CDABMO Cc1cccc(N2CCC[C@@H](NC(=O)c3ccnn3C)C2)[nH+]1 ZINC000257338910 362587077 /nfs/dbraw/zinc/58/70/77/362587077.db2.gz YZKLDHBJBYJHTL-CYBMUJFWSA-N 1 1 299.378 1.522 40 0 CDABMO CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCOC1)C2 ZINC000107282579 186166183 /nfs/dbraw/zinc/16/61/83/186166183.db2.gz PUYPJOXZVGIAHE-HUUCEWRRSA-N 1 1 266.385 1.357 40 0 CDABMO OC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1cccs1 ZINC000107824791 186194803 /nfs/dbraw/zinc/19/48/03/186194803.db2.gz OSRJYVWDXFCJGS-CYZMBNFOSA-N 1 1 253.367 1.720 40 0 CDABMO OC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1cccs1 ZINC000107824791 186194806 /nfs/dbraw/zinc/19/48/06/186194806.db2.gz OSRJYVWDXFCJGS-CYZMBNFOSA-N 1 1 253.367 1.720 40 0 CDABMO Cc1ncsc1C[N@@H+]1C[C@H](C(=O)N(C)C)[C@H]2OCC[C@H]21 ZINC000108535405 186221792 /nfs/dbraw/zinc/22/17/92/186221792.db2.gz VCVVKZFVXFHQJP-DMDPSCGWSA-N 1 1 295.408 1.129 40 0 CDABMO C[C@H]1C[C@@H](NCc2nncn2-c2ccccc2)CC[N@H+]1C ZINC000152621969 188032500 /nfs/dbraw/zinc/03/25/00/188032500.db2.gz BNZSPDSGMKDABE-KBPBESRZSA-N 1 1 285.395 1.840 40 0 CDABMO Cc1cc(=O)[nH]c([C@@H]2CC[N@@H+](Cc3ccccn3)C2)n1 ZINC000019118488 356475418 /nfs/dbraw/zinc/47/54/18/356475418.db2.gz FYNJFRQLFVGBFV-GFCCVEGCSA-N 1 1 270.336 1.463 40 0 CDABMO C[C@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404369 356990994 /nfs/dbraw/zinc/99/09/94/356990994.db2.gz OHVNPJOEJUILJY-GXTWGEPZSA-N 1 1 261.369 1.114 40 0 CDABMO O=C(NC[C@@H]1CCC[N@@H+]1CCO)OCc1ccccc1 ZINC000079410858 356993763 /nfs/dbraw/zinc/99/37/63/356993763.db2.gz PKCBVRHWEFPIIV-AWEZNQCLSA-N 1 1 278.352 1.370 40 0 CDABMO COc1cccc(OC[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000072367775 357831026 /nfs/dbraw/zinc/83/10/26/357831026.db2.gz XRUUXZPYQSYPGH-GFCCVEGCSA-N 1 1 278.352 1.271 40 0 CDABMO Cc1cc(CN2CC3(C2)C[C@@H](CO)C[N@H+]3CC2CC2)no1 ZINC000585093981 358099953 /nfs/dbraw/zinc/09/99/53/358099953.db2.gz WDQBAUSCDGQMRI-CQSZACIVSA-N 1 1 291.395 1.262 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2ccc(C)o2)[C@H]2CCO[C@@H]21 ZINC000096219080 358722035 /nfs/dbraw/zinc/72/20/35/358722035.db2.gz UVDHSLAJOFDNTH-IHRRRGAJSA-N 1 1 251.326 1.966 40 0 CDABMO CCC(CC)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC000096248907 358726306 /nfs/dbraw/zinc/72/63/06/358726306.db2.gz ASXQQUJQEIGLMX-CABCVRRESA-N 1 1 290.411 1.802 40 0 CDABMO Cn1ccnc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC000096255072 358727833 /nfs/dbraw/zinc/72/78/33/358727833.db2.gz LHVQIOWOIHCQOS-UHFFFAOYSA-N 1 1 283.379 1.688 40 0 CDABMO Cn1ccnc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC000096255072 358727835 /nfs/dbraw/zinc/72/78/35/358727835.db2.gz LHVQIOWOIHCQOS-UHFFFAOYSA-N 1 1 283.379 1.688 40 0 CDABMO C=C(C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C)c1ccccc1 ZINC000100900333 358855359 /nfs/dbraw/zinc/85/53/59/358855359.db2.gz JJNVDCBKBUSUII-JGPUMOJJSA-N 1 1 285.343 1.855 40 0 in-vitro CDABMO C=C(C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C)c1ccccc1 ZINC000100900333 358855365 /nfs/dbraw/zinc/85/53/65/358855365.db2.gz JJNVDCBKBUSUII-JGPUMOJJSA-N 1 1 285.343 1.855 40 0 in-vitro CDABMO O=C1CCCN1CC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000336800466 359863806 /nfs/dbraw/zinc/86/38/06/359863806.db2.gz MFOTWCKRJIMOQN-CQSZACIVSA-N 1 1 259.353 1.841 40 0 CDABMO O=C([C@@H]1C[N@@H+](C2CCC2)Cc2ccnn21)N1CC(F)(F)C1 ZINC000306137194 296053860 /nfs/dbraw/zinc/05/38/60/296053860.db2.gz QOGLCUCNWKMPIE-LBPRGKRZSA-N 1 1 296.321 1.270 40 0 CDABMO O=C([C@@H]1C[N@H+](C2CCC2)Cc2ccnn21)N1CC(F)(F)C1 ZINC000306137194 296053864 /nfs/dbraw/zinc/05/38/64/296053864.db2.gz QOGLCUCNWKMPIE-LBPRGKRZSA-N 1 1 296.321 1.270 40 0 CDABMO C[NH+](C)CCN(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575421155 364817082 /nfs/dbraw/zinc/81/70/82/364817082.db2.gz NFEHYXKIJQEDKA-HNNXBMFYSA-N 1 1 296.436 1.237 40 0 CDABMO CC[N@@H+]1CCC[C@H]1CNCc1cnc(N2CCCC2)nc1 ZINC000062718506 374168439 /nfs/dbraw/zinc/16/84/39/374168439.db2.gz MBJFPOFESIPLJO-HNNXBMFYSA-N 1 1 289.427 1.651 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNCc1cnc(N2CCCC2)nc1 ZINC000062718506 374168443 /nfs/dbraw/zinc/16/84/43/374168443.db2.gz MBJFPOFESIPLJO-HNNXBMFYSA-N 1 1 289.427 1.651 40 0 CDABMO OC[C@H]1C[C@@H](O)C[N@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000225400336 374287396 /nfs/dbraw/zinc/28/73/96/374287396.db2.gz ZGRRBGYRSBKYBW-NXEZZACHSA-N 1 1 289.734 1.285 40 0 CDABMO Cc1cc(C[N@H+](C)C[C@H](O)COCc2ccccc2)on1 ZINC000079311517 374789351 /nfs/dbraw/zinc/78/93/51/374789351.db2.gz HEJXPZIIVHVKDQ-HNNXBMFYSA-N 1 1 290.363 1.993 40 0 CDABMO Cc1cc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)on1 ZINC000079311517 374789360 /nfs/dbraw/zinc/78/93/60/374789360.db2.gz HEJXPZIIVHVKDQ-HNNXBMFYSA-N 1 1 290.363 1.993 40 0 CDABMO C[N@@H+]1CCO[C@](Cc2ccccc2)(C(=O)NC2CCC2)C1 ZINC000257207844 190012731 /nfs/dbraw/zinc/01/27/31/190012731.db2.gz BJPAERIWBDKUEG-KRWDZBQOSA-N 1 1 288.391 1.599 40 0 CDABMO C[N@H+]1CCO[C@](Cc2ccccc2)(C(=O)NC2CCC2)C1 ZINC000257207844 190012732 /nfs/dbraw/zinc/01/27/32/190012732.db2.gz BJPAERIWBDKUEG-KRWDZBQOSA-N 1 1 288.391 1.599 40 0 CDABMO CCn1cc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)cn1 ZINC000257230030 190016382 /nfs/dbraw/zinc/01/63/82/190016382.db2.gz GAMAVXVPYJDYAO-GJZGRUSLSA-N 1 1 279.384 1.673 40 0 CDABMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3nccn3C)C2)n1 ZINC000257273827 190024846 /nfs/dbraw/zinc/02/48/46/190024846.db2.gz NIKAPEXSPUZWOM-GFCCVEGCSA-N 1 1 257.341 1.508 40 0 CDABMO Cc1ccnc([C@@H]2CC[N@H+](Cc3nccn3C)C2)n1 ZINC000257273827 190024847 /nfs/dbraw/zinc/02/48/47/190024847.db2.gz NIKAPEXSPUZWOM-GFCCVEGCSA-N 1 1 257.341 1.508 40 0 CDABMO Cc1ncccc1C(=O)NCc1c[nH]c([C@H]2CC[N@H+](C)C2)n1 ZINC000257295580 190028112 /nfs/dbraw/zinc/02/81/12/190028112.db2.gz QYZQBTNOKFNFQH-LBPRGKRZSA-N 1 1 299.378 1.462 40 0 CDABMO Cc1ncccc1C(=O)NCc1cnc([C@H]2CC[N@@H+](C)C2)[nH]1 ZINC000257295580 190028113 /nfs/dbraw/zinc/02/81/13/190028113.db2.gz QYZQBTNOKFNFQH-LBPRGKRZSA-N 1 1 299.378 1.462 40 0 CDABMO Cc1ncccc1C(=O)NCc1cnc([C@H]2CC[N@H+](C)C2)[nH]1 ZINC000257295580 190028114 /nfs/dbraw/zinc/02/81/14/190028114.db2.gz QYZQBTNOKFNFQH-LBPRGKRZSA-N 1 1 299.378 1.462 40 0 CDABMO Cc1cc(C)n2ncc(C[N@H+]3C[C@@H]4C[C@@H](O)C[C@@H]4C3)c2n1 ZINC000257302719 190030292 /nfs/dbraw/zinc/03/02/92/190030292.db2.gz SDZNCJZKDKULTP-NHAGDIPZSA-N 1 1 286.379 1.549 40 0 CDABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218557901 375857228 /nfs/dbraw/zinc/85/72/28/375857228.db2.gz HZUADBQIHGETLA-RWMBFGLXSA-N 1 1 287.356 1.070 40 0 CDABMO CNc1cc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000257321509 190033832 /nfs/dbraw/zinc/03/38/32/190033832.db2.gz WBZDCTSGAILINZ-CQSZACIVSA-N 1 1 286.383 1.897 40 0 CDABMO CNc1cc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000257321509 190033833 /nfs/dbraw/zinc/03/38/33/190033833.db2.gz WBZDCTSGAILINZ-CQSZACIVSA-N 1 1 286.383 1.897 40 0 CDABMO Cc1ocnc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000332813322 390978545 /nfs/dbraw/zinc/97/85/45/390978545.db2.gz QAOUKPKTNQHFDU-MFKMUULPSA-N 1 1 280.372 1.465 40 0 CDABMO CCc1[nH+]ccn1CC(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 ZINC000257338892 391649603 /nfs/dbraw/zinc/64/96/03/391649603.db2.gz YZIFUCRESCSCJH-IOASZLSFSA-N 1 1 291.395 1.598 40 0 CDABMO CN1CCO[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000063527694 391745852 /nfs/dbraw/zinc/74/58/52/391745852.db2.gz KBXKOPPVQNWHOL-MRXNPFEDSA-N 1 1 260.381 1.983 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@@]1([NH3+])COC ZINC000225658388 392248621 /nfs/dbraw/zinc/24/86/21/392248621.db2.gz UZERVGVYDLMGFA-MJBXVCDLSA-N 1 1 283.393 1.239 40 0 CDABMO CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@]2([NH3+])COC)cc1 ZINC000252516838 392798246 /nfs/dbraw/zinc/79/82/46/392798246.db2.gz XDUKOBOFCOXIML-ILXRZTDVSA-N 1 1 297.420 1.493 40 0 CDABMO CC(C)Oc1ccc([C@H]2CNCCN2C(=O)CC[NH3+])cc1 ZINC000257209932 392976955 /nfs/dbraw/zinc/97/69/55/392976955.db2.gz BSLUXMSOIIDVPH-OAHLLOKOSA-N 1 1 291.395 1.296 40 0 CDABMO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000090513332 135063487 /nfs/dbraw/zinc/06/34/87/135063487.db2.gz ORGNUBQJTMPFTQ-UHFFFAOYSA-N 1 1 252.289 1.364 40 0 CDABMO C[N@@H+]1CCc2nn(-c3nc4ccccc4[nH]3)c(N)c2C1 ZINC000020387401 171176850 /nfs/dbraw/zinc/17/68/50/171176850.db2.gz IPKOSHJEJJNOFT-UHFFFAOYSA-N 1 1 268.324 1.319 40 0 CDABMO C[N@H+]1CCc2nn(-c3nc4ccccc4[nH]3)c(N)c2C1 ZINC000020387401 171176851 /nfs/dbraw/zinc/17/68/51/171176851.db2.gz IPKOSHJEJJNOFT-UHFFFAOYSA-N 1 1 268.324 1.319 40 0 CDABMO Cc1c[nH]nc1[C@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC000072381938 176387738 /nfs/dbraw/zinc/38/77/38/176387738.db2.gz SHKPOJGOBVXNCW-GFCCVEGCSA-N 1 1 251.330 1.270 40 0 CDABMO Cc1c[nH]nc1[C@H]1C[N@H+](C2CCOCC2)CCO1 ZINC000072381938 176387739 /nfs/dbraw/zinc/38/77/39/176387739.db2.gz SHKPOJGOBVXNCW-GFCCVEGCSA-N 1 1 251.330 1.270 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(c3cccc(F)c3)CC[C@@H]2C1 ZINC000096082329 277124945 /nfs/dbraw/zinc/12/49/45/277124945.db2.gz URMMTUIQHQPLMI-IUODEOHRSA-N 1 1 264.344 1.983 40 0 CDABMO C[N@@H+]1C[C@H]2[C@H](CC[C@@]23N=C(c2ccccc2)NC3=O)C1 ZINC000096087559 277207382 /nfs/dbraw/zinc/20/73/82/277207382.db2.gz XWYVQQZHCWGHTI-DVOMOZLQSA-N 1 1 269.348 1.273 40 0 CDABMO CC1(C)CC[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000236746736 278268046 /nfs/dbraw/zinc/26/80/46/278268046.db2.gz BZWHNCIKPLWJKH-CABCVRRESA-N 1 1 288.391 1.904 40 0 CDABMO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC000130877766 323210759 /nfs/dbraw/zinc/21/07/59/323210759.db2.gz RSFZWUNZKVJMJV-NWDGAFQWSA-N 1 1 292.383 1.861 40 0 CDABMO [NH3+][C@H](CN1CCCC1)C(O)c1ccc2c(c1)OCCO2 ZINC001560403765 960945835 /nfs/dbraw/zinc/94/58/35/960945835.db2.gz SISSWBNENVWREY-GFCCVEGCSA-N 1 1 277.344 1.133 40 0 CDABMO CCN(C)c1ncnc2c1CC[N@@H+](Cc1cccnc1)CC2 ZINC000096058797 185078717 /nfs/dbraw/zinc/07/87/17/185078717.db2.gz MJUBTAOAHIFWDU-UHFFFAOYSA-N 1 1 297.406 1.929 40 0 CDABMO CCn1cc2c(n1)[C@H](COC)C[N@@H+](Cc1cnn(C)c1)C2 ZINC000096059876 185081800 /nfs/dbraw/zinc/08/18/00/185081800.db2.gz BMNRAPBBZOEOCW-AWEZNQCLSA-N 1 1 289.383 1.382 40 0 CDABMO CCn1cc2c(n1)[C@H](COC)C[N@H+](Cc1cnn(C)c1)C2 ZINC000096059876 185081802 /nfs/dbraw/zinc/08/18/02/185081802.db2.gz BMNRAPBBZOEOCW-AWEZNQCLSA-N 1 1 289.383 1.382 40 0 CDABMO CC(C)(C)C[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 ZINC000096064859 185083991 /nfs/dbraw/zinc/08/39/91/185083991.db2.gz KBVMPUGCMODOJK-CZUORRHYSA-N 1 1 280.412 1.792 40 0 CDABMO C[N@H+]1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(F)cc1 ZINC000096063939 185084345 /nfs/dbraw/zinc/08/43/45/185084345.db2.gz FHFKWOQIFGGNDT-QWHCGFSZSA-N 1 1 284.356 1.293 40 0 CDABMO Cc1ccc(OC[C@]2(O)CC[N@H+](C3CCOCC3)C2)cc1 ZINC000585269115 342254566 /nfs/dbraw/zinc/25/45/66/342254566.db2.gz KHUHFMDVRXFIIR-KRWDZBQOSA-N 1 1 291.391 1.990 40 0 CDABMO CNC(=O)C[C@@H]1C[N@H+](C2CCCC2)CC[C@H]1OC ZINC000585274937 342255912 /nfs/dbraw/zinc/25/59/12/342255912.db2.gz RWTDLDGGGAEWDJ-DGCLKSJQSA-N 1 1 254.374 1.402 40 0 CDABMO CN(C)C(=O)[C@@]1(C)C[N@@H+](CC2(O)CCCCCC2)CCO1 ZINC000585282922 342258485 /nfs/dbraw/zinc/25/84/85/342258485.db2.gz JTANTOXNTBKEJW-OAHLLOKOSA-N 1 1 298.427 1.251 40 0 CDABMO c1cnc(O[C@H]2CCOC3(C[NH+](C4CCC4)C3)C2)cn1 ZINC000253588903 362440238 /nfs/dbraw/zinc/44/02/38/362440238.db2.gz YPLUFCIDECJKTG-ZDUSSCGKSA-N 1 1 275.352 1.641 40 0 CDABMO C[NH2+]Cc1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2 ZINC000257338793 362587073 /nfs/dbraw/zinc/58/70/73/362587073.db2.gz YYZRZRTYBCWIHA-UHFFFAOYSA-N 1 1 260.341 1.194 40 0 CDABMO CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCOC1)C2 ZINC000107282575 186165366 /nfs/dbraw/zinc/16/53/66/186165366.db2.gz PUYPJOXZVGIAHE-CABCVRRESA-N 1 1 266.385 1.357 40 0 CDABMO CNC(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cnc(C)nc1)C2 ZINC000108535579 186222285 /nfs/dbraw/zinc/22/22/85/186222285.db2.gz WLDHZKNCVXTDRC-GOEBONIOSA-N 1 1 288.395 1.523 40 0 CDABMO O=C1NCC[NH2+][C@H]1Cc1ccccc1-c1cccnc1 ZINC000019348543 356481320 /nfs/dbraw/zinc/48/13/20/356481320.db2.gz HVGMWRAJXUSDDU-HNNXBMFYSA-N 1 1 267.332 1.379 40 0 CDABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000040114253 356982690 /nfs/dbraw/zinc/98/26/90/356982690.db2.gz ABAKOBVQSFSPAG-UHFFFAOYSA-N 1 1 268.744 1.736 40 0 CDABMO CNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000072388588 357832049 /nfs/dbraw/zinc/83/20/49/357832049.db2.gz KGKAJONARRFWEI-GFCCVEGCSA-N 1 1 278.356 1.085 40 0 CDABMO CNC(=O)c1cn[nH]c1[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000072388588 357832053 /nfs/dbraw/zinc/83/20/53/357832053.db2.gz KGKAJONARRFWEI-GFCCVEGCSA-N 1 1 278.356 1.085 40 0 CDABMO CNC(=O)c1cn[nH]c1[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000072388588 357832059 /nfs/dbraw/zinc/83/20/59/357832059.db2.gz KGKAJONARRFWEI-GFCCVEGCSA-N 1 1 278.356 1.085 40 0 CDABMO O=C(N1CC2(C1)C[C@@H](CO)C[N@H+]2CC1CC1)C1(F)CCC1 ZINC000585093808 358098852 /nfs/dbraw/zinc/09/88/52/358098852.db2.gz GXXJPEFWDDNBRO-CYBMUJFWSA-N 1 1 296.386 1.184 40 0 CDABMO Cc1ccc(C[N@H+]2C[C@@H](N(C)C)[C@H]3OCCC[C@H]32)o1 ZINC000096056319 358707209 /nfs/dbraw/zinc/70/72/09/358707209.db2.gz HFVPDWVPTASRFI-KFWWJZLASA-N 1 1 264.369 1.881 40 0 CDABMO Cc1ccc(C[N@@H+]2C[C@@H](N(C)C)[C@H]3OCCC[C@H]32)o1 ZINC000096056319 358707210 /nfs/dbraw/zinc/70/72/10/358707210.db2.gz HFVPDWVPTASRFI-KFWWJZLASA-N 1 1 264.369 1.881 40 0 CDABMO c1cnc(N2C[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)nc1 ZINC000096182435 358713372 /nfs/dbraw/zinc/71/33/72/358713372.db2.gz MJPLDCVLWFNVNF-BETUJISGSA-N 1 1 274.368 1.024 40 0 CDABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)cc1 ZINC000096184485 358714082 /nfs/dbraw/zinc/71/40/82/358714082.db2.gz HUAVZSPQGNCAAU-CABCVRRESA-N 1 1 294.420 1.603 40 0 CDABMO c1ncn(Cc2cn3c(n2)C[N@H+](CC2CCCC2)CC3)n1 ZINC000096197382 358716597 /nfs/dbraw/zinc/71/65/97/358716597.db2.gz CBNWJWNILSQOPT-UHFFFAOYSA-N 1 1 286.383 1.529 40 0 CDABMO c1ncn(Cc2cn3c(n2)C[N@@H+](CC2CCCC2)CC3)n1 ZINC000096197382 358716600 /nfs/dbraw/zinc/71/66/00/358716600.db2.gz CBNWJWNILSQOPT-UHFFFAOYSA-N 1 1 286.383 1.529 40 0 CDABMO O[C@H]1CC[N@@H+](C[C@@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200466 358718212 /nfs/dbraw/zinc/71/82/12/358718212.db2.gz NDUHCNFVKALBQZ-KKUMJFAQSA-N 1 1 262.353 1.096 40 0 CDABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)C1CC=CC1)CC2 ZINC000096208122 358719976 /nfs/dbraw/zinc/71/99/76/358719976.db2.gz OHGRAJYAUAMIJD-HNNXBMFYSA-N 1 1 292.423 1.912 40 0 CDABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccoc3)C2)C1 ZINC000096228873 358724161 /nfs/dbraw/zinc/72/41/61/358724161.db2.gz GHZDRUTXDLXSBT-INIZCTEOSA-N 1 1 292.379 1.854 40 0 CDABMO Cc1cc(C[N@H+](C)[C@H]2CCNC2=O)cc2cccnc12 ZINC000335323562 359908233 /nfs/dbraw/zinc/90/82/33/359908233.db2.gz GWEPEMGFFUEOOQ-AWEZNQCLSA-N 1 1 269.348 1.864 40 0 CDABMO COC(C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O)OC ZINC000136768332 364693732 /nfs/dbraw/zinc/69/37/32/364693732.db2.gz OJTYHMJDGNLNOI-AWEZNQCLSA-N 1 1 292.379 1.733 40 0 CDABMO COC(C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O)OC ZINC000136768332 364693740 /nfs/dbraw/zinc/69/37/40/364693740.db2.gz OJTYHMJDGNLNOI-AWEZNQCLSA-N 1 1 292.379 1.733 40 0 CDABMO CCc1onc(C)c1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272059725 365066651 /nfs/dbraw/zinc/06/66/51/365066651.db2.gz RZDQEGFSXFYMGE-UHFFFAOYSA-N 1 1 278.356 1.929 40 0 CDABMO CC(C)N1C(=O)CN(c2[nH+]cnc3[nH]ccc32)CC1(C)C ZINC000361173006 368676993 /nfs/dbraw/zinc/67/69/93/368676993.db2.gz ZASCDIUJJHKLPR-UHFFFAOYSA-N 1 1 287.367 1.794 40 0 CDABMO c1cn2ccnc(N3CC[NH+](Cc4ccncc4)CC3)c2n1 ZINC000306136603 374970418 /nfs/dbraw/zinc/97/04/18/374970418.db2.gz PXUYHDFUQZQNAI-UHFFFAOYSA-N 1 1 294.362 1.447 40 0 CDABMO C[C@H](Cc1ccccc1F)[NH2+]Cc1nc(N(C)C)no1 ZINC000225600984 375169823 /nfs/dbraw/zinc/16/98/23/375169823.db2.gz UUQFVMNPBWYSTK-SNVBAGLBSA-N 1 1 278.331 1.996 40 0 CDABMO C[C@@H]1C(=O)N(C)CC[N@H+]1CCCCC1CCOCC1 ZINC000225628709 375174450 /nfs/dbraw/zinc/17/44/50/375174450.db2.gz UEFRLNSBKFGCFW-CYBMUJFWSA-N 1 1 268.401 1.746 40 0 CDABMO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCCCC1CCOCC1 ZINC000225628709 375174456 /nfs/dbraw/zinc/17/44/56/375174456.db2.gz UEFRLNSBKFGCFW-CYBMUJFWSA-N 1 1 268.401 1.746 40 0 CDABMO NC(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000225724761 375191316 /nfs/dbraw/zinc/19/13/16/375191316.db2.gz HYJLDJQDAZNLNH-VIFPVBQESA-N 1 1 285.141 1.348 40 0 CDABMO Cn1cc(C[NH2+]Cc2cnn(C)c2C(F)(F)F)cn1 ZINC000256052404 190004441 /nfs/dbraw/zinc/00/44/41/190004441.db2.gz NDPYUXUOROHSJP-UHFFFAOYSA-N 1 1 273.262 1.462 40 0 CDABMO C[N@H+](Cc1c[nH]cn1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257211874 190012243 /nfs/dbraw/zinc/01/22/43/190012243.db2.gz CAWUCNNGJOCRKX-PMPSAXMXSA-N 1 1 287.363 1.812 40 0 CDABMO C[N@@H+](Cc1c[nH]cn1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257211874 190012244 /nfs/dbraw/zinc/01/22/44/190012244.db2.gz CAWUCNNGJOCRKX-PMPSAXMXSA-N 1 1 287.363 1.812 40 0 CDABMO C[N@H+](Cc1cnc[nH]1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257211874 190012245 /nfs/dbraw/zinc/01/22/45/190012245.db2.gz CAWUCNNGJOCRKX-PMPSAXMXSA-N 1 1 287.363 1.812 40 0 CDABMO C[N@@H+](Cc1cnc[nH]1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257211874 190012246 /nfs/dbraw/zinc/01/22/46/190012246.db2.gz CAWUCNNGJOCRKX-PMPSAXMXSA-N 1 1 287.363 1.812 40 0 CDABMO C[N@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@H](C(N)=O)C1 ZINC000257234620 190016624 /nfs/dbraw/zinc/01/66/24/190016624.db2.gz GUKDNHXDNBSDLH-LLVKDONJSA-N 1 1 299.777 1.328 40 0 CDABMO c1c[nH]c(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cnccn4)[C@@H]3C2)n1 ZINC000257232893 190016990 /nfs/dbraw/zinc/01/69/90/190016990.db2.gz GMXKUTZTIAULQG-YNEHKIRRSA-N 1 1 284.367 1.522 40 0 CDABMO c1c[nH]c(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cnccn4)[C@@H]3C2)n1 ZINC000257232893 190016991 /nfs/dbraw/zinc/01/69/91/190016991.db2.gz GMXKUTZTIAULQG-YNEHKIRRSA-N 1 1 284.367 1.522 40 0 CDABMO CN(C)Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cncnc3)C2)n1 ZINC000257247087 190019585 /nfs/dbraw/zinc/01/95/85/190019585.db2.gz IXJKZUIYHREEDN-CYBMUJFWSA-N 1 1 286.383 1.251 40 0 CDABMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257257286 190021761 /nfs/dbraw/zinc/02/17/61/190021761.db2.gz KOXHACKGDIMFTF-GFCCVEGCSA-N 1 1 276.384 1.384 40 0 CDABMO COCCC(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257278188 190025455 /nfs/dbraw/zinc/02/54/55/190025455.db2.gz OBFNPJLROCMUGT-AWEZNQCLSA-N 1 1 262.353 1.538 40 0 CDABMO COCCC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257278188 190025456 /nfs/dbraw/zinc/02/54/56/190025456.db2.gz OBFNPJLROCMUGT-AWEZNQCLSA-N 1 1 262.353 1.538 40 0 CDABMO Cc1ccnc([C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000257332778 190035564 /nfs/dbraw/zinc/03/55/64/190035564.db2.gz XYPIBKBFQPMOGZ-AWEZNQCLSA-N 1 1 288.395 1.587 40 0 CDABMO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000257332778 190035565 /nfs/dbraw/zinc/03/55/65/190035565.db2.gz XYPIBKBFQPMOGZ-AWEZNQCLSA-N 1 1 288.395 1.587 40 0 CDABMO C[NH+]1CCN([C@H]2CCCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000173277673 378093250 /nfs/dbraw/zinc/09/32/50/378093250.db2.gz YXFGWJBACZGQKY-AWEZNQCLSA-N 1 1 281.444 1.661 40 0 CDABMO OCC[N@@H+](C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393536 285255347 /nfs/dbraw/zinc/25/53/47/285255347.db2.gz OMPQKCRADZNUCA-INIZCTEOSA-N 1 1 260.381 1.718 40 0 CDABMO OCCN(C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393536 285255350 /nfs/dbraw/zinc/25/53/50/285255350.db2.gz OMPQKCRADZNUCA-INIZCTEOSA-N 1 1 260.381 1.718 40 0 CDABMO OCCN(C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393536 285255352 /nfs/dbraw/zinc/25/53/52/285255352.db2.gz OMPQKCRADZNUCA-INIZCTEOSA-N 1 1 260.381 1.718 40 0 CDABMO CC(C)C(=O)N1CCC2(C[NH+](Cc3ccccn3)C2)C1 ZINC000096202690 256822483 /nfs/dbraw/zinc/82/24/83/256822483.db2.gz VDDHHCYEOQCBJU-UHFFFAOYSA-N 1 1 273.380 1.772 40 0 CDABMO CC(C)C[N@H+]1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253204 256835851 /nfs/dbraw/zinc/83/58/51/256835851.db2.gz GACLNNYSRVOQEF-HZSPNIEDSA-N 1 1 266.385 1.354 40 0 CDABMO C[N@H+]1CCC[C@@H](CNC(=S)NC2CCCC2)C1 ZINC000009876480 390195936 /nfs/dbraw/zinc/19/59/36/390195936.db2.gz SJWWIKHTOLVSNK-NSHDSACASA-N 1 1 255.431 1.735 40 0 CDABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000072227363 390625799 /nfs/dbraw/zinc/62/57/99/390625799.db2.gz NZHJLUDLENUZJT-GJZGRUSLSA-N 1 1 282.299 1.831 40 0 CDABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000072227663 390625806 /nfs/dbraw/zinc/62/58/06/390625806.db2.gz QACYQZCGXABVHD-HOTGVXAUSA-N 1 1 296.326 1.873 40 0 CDABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccco1 ZINC000072228208 390626880 /nfs/dbraw/zinc/62/68/80/390626880.db2.gz FBBAATKYZJCIJL-CHWSQXEVSA-N 1 1 260.268 1.830 40 0 CDABMO Cc1nc([C@@H]2CC[N@H+]2C2CCOCC2)cc(N(C)C)n1 ZINC000072387473 390627975 /nfs/dbraw/zinc/62/79/75/390627975.db2.gz UADXGECFZCWCMF-AWEZNQCLSA-N 1 1 276.384 1.777 40 0 CDABMO C[N@H+]1CCc2nc(-c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000073667185 390641274 /nfs/dbraw/zinc/64/12/74/390641274.db2.gz KZNVUIRZEGKKJT-UHFFFAOYSA-N 1 1 259.284 1.564 40 0 CDABMO C[N@H+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1 ZINC000009876677 170388371 /nfs/dbraw/zinc/38/83/71/170388371.db2.gz GLNGBFDLKUNTIE-LBPRGKRZSA-N 1 1 253.390 1.960 40 0 CDABMO CN(C)Cc1cc(N(C)C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072352024 176374087 /nfs/dbraw/zinc/37/40/87/176374087.db2.gz OALCXHBFWSMOFH-LBPRGKRZSA-N 1 1 277.416 1.413 40 0 CDABMO CN(C)Cc1cc(N(C)C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072352024 176374088 /nfs/dbraw/zinc/37/40/88/176374088.db2.gz OALCXHBFWSMOFH-LBPRGKRZSA-N 1 1 277.416 1.413 40 0 CDABMO O=C([C@H]1CCC[N@@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000072367919 176382840 /nfs/dbraw/zinc/38/28/40/176382840.db2.gz KTEUFINUROLFFJ-HNNXBMFYSA-N 1 1 273.380 1.916 40 0 CDABMO Cc1cncc([C@@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)n1 ZINC000072369404 176383971 /nfs/dbraw/zinc/38/39/71/176383971.db2.gz NMXFUABAOVBMKY-CYBMUJFWSA-N 1 1 271.368 1.898 40 0 CDABMO Cc1cncc([C@@H]2CCC[N@H+](Cc3ccn(C)n3)C2)n1 ZINC000072369404 176383973 /nfs/dbraw/zinc/38/39/73/176383973.db2.gz NMXFUABAOVBMKY-CYBMUJFWSA-N 1 1 271.368 1.898 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1CCc1ccccc1 ZINC000072397561 176395266 /nfs/dbraw/zinc/39/52/66/176395266.db2.gz XRIKRUOILXDREA-CWRNSKLLSA-N 1 1 260.381 1.368 40 0 CDABMO Cn1cc(C[N@H+]2CCOC[C@H](O)C2)c2ccccc21 ZINC000077266065 177247432 /nfs/dbraw/zinc/24/74/32/177247432.db2.gz JCWNGCFZWYPWJC-CYBMUJFWSA-N 1 1 260.337 1.371 40 0 biogenic,in-vitro CDABMO CCC[N@@H+]1CCc2c(sc3[nH]c(NN)nc(=O)c23)C1 ZINC000024546204 276014064 /nfs/dbraw/zinc/01/40/64/276014064.db2.gz XBNMHTLFUCGOEI-UHFFFAOYSA-N 1 1 279.369 1.038 40 0 CDABMO CCC[N@H+]1CCc2c(sc3[nH]c(NN)nc(=O)c23)C1 ZINC000024546204 276014066 /nfs/dbraw/zinc/01/40/66/276014066.db2.gz XBNMHTLFUCGOEI-UHFFFAOYSA-N 1 1 279.369 1.038 40 0 CDABMO CC(C)(C)OC(=O)N1CCC([N@H+]2CCNC(=O)CC2)CC1 ZINC000030677731 277181060 /nfs/dbraw/zinc/18/10/60/277181060.db2.gz IBRBCYQKFAXUCD-UHFFFAOYSA-N 1 1 297.399 1.208 40 0 CDABMO Cc1ccccc1OCC(=O)NCCC[NH+]1CCOCC1 ZINC000047465815 327276116 /nfs/dbraw/zinc/27/61/16/327276116.db2.gz JDMRWDWLPSJHRO-UHFFFAOYSA-N 1 1 292.379 1.212 40 0 CDABMO CCNc1ncc(C2=[NH+]O[C@](C)(C(=O)OC(C)C)C2)cn1 ZINC000226084079 1161388206 /nfs/dbraw/zinc/38/82/06/1161388206.db2.gz OUQSBNNENZBWDU-AWEZNQCLSA-N 1 1 292.339 1.743 40 0 CDABMO [NH3+][C@H](c1nc(-c2cnccn2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533966 185007525 /nfs/dbraw/zinc/00/75/25/185007525.db2.gz ZQYQKBRLTHIVLC-NSHDSACASA-N 1 1 286.726 1.963 40 0 CDABMO CCOC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2cn(C)nc21 ZINC000096059833 185081809 /nfs/dbraw/zinc/08/18/09/185081809.db2.gz SYHHGQCUQDHOOC-CQSZACIVSA-N 1 1 289.383 1.290 40 0 CDABMO CCOC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2cn(C)nc21 ZINC000096059833 185081811 /nfs/dbraw/zinc/08/18/11/185081811.db2.gz SYHHGQCUQDHOOC-CQSZACIVSA-N 1 1 289.383 1.290 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2ccccn2)[C@H]1Cc1ccncc1 ZINC000096061651 185082416 /nfs/dbraw/zinc/08/24/16/185082416.db2.gz YVFAKPPRPCZZTC-HOTGVXAUSA-N 1 1 269.348 1.655 40 0 CDABMO Cn1cc(C[C@H]2[C@H](O)CC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000096061618 185082765 /nfs/dbraw/zinc/08/27/65/185082765.db2.gz ULFLVFRJVBFIPJ-JKSUJKDBSA-N 1 1 289.354 1.737 40 0 CDABMO CCN1CC[C@]2(CCC[N@@H+](Cc3ccncc3)C2)C1=O ZINC000096073928 185088097 /nfs/dbraw/zinc/08/80/97/185088097.db2.gz CYOSVHNPRGGWDB-INIZCTEOSA-N 1 1 273.380 1.916 40 0 CDABMO COC[C@]12COC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000096108634 185100196 /nfs/dbraw/zinc/10/01/96/185100196.db2.gz UMLQGGPORIDXTA-HZPDHXFCSA-N 1 1 261.365 1.824 40 0 CDABMO C[N@H+]1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102036 342212329 /nfs/dbraw/zinc/21/23/29/342212329.db2.gz OHPHCGQPDRFYPP-CQSZACIVSA-N 1 1 292.408 1.726 40 0 CDABMO C[C@]12CCC[N@@H+](CC3(O)CCCC3)[C@H]1CCCC(=O)N2 ZINC000585284489 342258623 /nfs/dbraw/zinc/25/86/23/342258623.db2.gz SOLCWGHTJBZXGV-ZFWWWQNUSA-N 1 1 280.412 1.815 40 0 CDABMO COC[C@@H]1CCC[N@@H+](CCC(=O)NC(C)(C)C)C1 ZINC000079090956 362139958 /nfs/dbraw/zinc/13/99/58/362139958.db2.gz PEQGCJDGPNKFJD-GFCCVEGCSA-N 1 1 256.390 1.650 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)cn1 ZINC000503866630 362305656 /nfs/dbraw/zinc/30/56/56/362305656.db2.gz VCXNPBJOVDXFKZ-GJZGRUSLSA-N 1 1 288.395 1.395 40 0 CDABMO CNC(=O)[C@@H]1CN(C)CC[N@@H+](CC2CCCCC2)C1 ZINC000257336632 362587113 /nfs/dbraw/zinc/58/71/13/362587113.db2.gz YPHGADXUZNBCRU-CQSZACIVSA-N 1 1 267.417 1.176 40 0 CDABMO COC(=O)[C@H]1C[C@@]2(c3ccccc3NC2=O)[N@H+]2CCC[C@H]12 ZINC000062716014 350409932 /nfs/dbraw/zinc/40/99/32/350409932.db2.gz GILNPVJKDQWNGY-WNMQOVRZSA-N 1 1 286.331 1.491 40 0 CDABMO CN1CC[NH+](CCCNC(=O)C2CCCCC2)CC1 ZINC000065564657 363309834 /nfs/dbraw/zinc/30/98/34/363309834.db2.gz QVMPIHNEGHKMAH-UHFFFAOYSA-N 1 1 267.417 1.320 40 0 CDABMO O=C([O-])CCC[C@H]1[NH2+]C[C@@H]2CCC[N@@H+]3CCC[C@H]1[C@H]23 ZINC000012871115 304051779 /nfs/dbraw/zinc/05/17/79/304051779.db2.gz AZXHMEMRJYOODA-JLNYLFASSA-N 1 1 266.385 1.704 40 0 biogenic CDABMO O=C([O-])CCC[C@H]1[NH2+]C[C@@H]2CCC[N@H+]3CCC[C@H]1[C@H]23 ZINC000012871115 304051782 /nfs/dbraw/zinc/05/17/82/304051782.db2.gz AZXHMEMRJYOODA-JLNYLFASSA-N 1 1 266.385 1.704 40 0 biogenic CDABMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC000019527290 356490314 /nfs/dbraw/zinc/49/03/14/356490314.db2.gz NKBHLVZZWOPGSW-CYBMUJFWSA-N 1 1 277.368 1.694 40 0 CDABMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1nc(C)c(C)c1C ZINC000019527279 356490850 /nfs/dbraw/zinc/49/08/50/356490850.db2.gz MPVYGZFGHNXAIP-HNNXBMFYSA-N 1 1 292.427 1.799 40 0 CDABMO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000033534405 357445072 /nfs/dbraw/zinc/44/50/72/357445072.db2.gz HTTPYTHCALVFES-LJIGWXMPSA-N 1 1 297.439 1.911 40 0 CDABMO Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(C)[nH+]1 ZINC000072367918 357831331 /nfs/dbraw/zinc/83/13/31/357831331.db2.gz FFQULQMOUVOEEL-UHFFFAOYSA-N 1 1 283.379 1.811 40 0 CDABMO O=S(=O)(c1cccs1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247648548 358724237 /nfs/dbraw/zinc/72/42/37/358724237.db2.gz VTNLUIGVWOISTF-JTQLQIEISA-N 1 1 272.395 1.217 40 0 CDABMO O=S(=O)(c1cccs1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247648548 358724240 /nfs/dbraw/zinc/72/42/40/358724240.db2.gz VTNLUIGVWOISTF-JTQLQIEISA-N 1 1 272.395 1.217 40 0 CDABMO C[N@H+]1CCC[C@@]2(CN(Cc3cccnc3)CCO2)C1 ZINC000096268597 358730584 /nfs/dbraw/zinc/73/05/84/358730584.db2.gz FBQAAMCAWDPDOR-HNNXBMFYSA-N 1 1 261.369 1.378 40 0 CDABMO COc1ccc(-c2n[nH]c(SCC[NH3+])n2)cc1 ZINC000224978496 359540990 /nfs/dbraw/zinc/54/09/90/359540990.db2.gz PZFIQRHPXCKTPY-UHFFFAOYSA-N 1 1 250.327 1.531 40 0 CDABMO COP(=O)(OC)[C@@]1(O)C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000031812348 359644964 /nfs/dbraw/zinc/64/49/64/359644964.db2.gz ANRNCSUBAGMGGV-AEJSXWLSSA-N 1 1 251.263 1.521 40 0 CDABMO CCc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@]2([NH3+])COC)cc1 ZINC000218493944 372913086 /nfs/dbraw/zinc/91/30/86/372913086.db2.gz DVJULQOTMMBCMX-BFHYXJOUSA-N 1 1 283.393 1.103 40 0 CDABMO CN1c2cccnc2C[N@@H+](Cc2cccnc2)CC[C@H]1CO ZINC000225496403 374552204 /nfs/dbraw/zinc/55/22/04/374552204.db2.gz BSJCLTSPZKPHNP-HNNXBMFYSA-N 1 1 298.390 1.680 40 0 biogenic,in-vitro CDABMO CN1c2cccnc2C[N@H+](Cc2cccnc2)CC[C@H]1CO ZINC000225496403 374552210 /nfs/dbraw/zinc/55/22/10/374552210.db2.gz BSJCLTSPZKPHNP-HNNXBMFYSA-N 1 1 298.390 1.680 40 0 biogenic,in-vitro CDABMO O=C(N1CCCC1)N1CC[N@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000306135786 374970733 /nfs/dbraw/zinc/97/07/33/374970733.db2.gz PAURGSWULQWVEN-LSDHHAIUSA-N 1 1 293.411 1.387 40 0 CDABMO C[C@H]1C[N@@H+](CCCCC2CCOCC2)CCN1CCO ZINC000225628789 375173713 /nfs/dbraw/zinc/17/37/13/375173713.db2.gz VVICVVZHGJASSF-HNNXBMFYSA-N 1 1 284.444 1.582 40 0 CDABMO C[C@H]1CN(CCCCC2CCOCC2)CC[N@@H+]1CCO ZINC000225628789 375173717 /nfs/dbraw/zinc/17/37/17/375173717.db2.gz VVICVVZHGJASSF-HNNXBMFYSA-N 1 1 284.444 1.582 40 0 CDABMO C[C@H]1CN(CCCCC2CCOCC2)CC[N@H+]1CCO ZINC000225628789 375173720 /nfs/dbraw/zinc/17/37/20/375173720.db2.gz VVICVVZHGJASSF-HNNXBMFYSA-N 1 1 284.444 1.582 40 0 CDABMO CCN(CC)CC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256054405 190005252 /nfs/dbraw/zinc/00/52/52/190005252.db2.gz WDGPAKBRRZEITF-UHFFFAOYSA-N 1 1 278.322 1.877 40 0 CDABMO c1ccc(C[N@@H+]2CCOC[C@@H](Cc3cnccn3)C2)nc1 ZINC000257222508 190014343 /nfs/dbraw/zinc/01/43/43/190014343.db2.gz DTOAIWQWOWPMTP-AWEZNQCLSA-N 1 1 284.363 1.563 40 0 CDABMO CCc1[nH+]ccn1CC(=O)N1CC[C@@H](c2n[nH]cc2C)C1 ZINC000257266611 190023044 /nfs/dbraw/zinc/02/30/44/190023044.db2.gz MDSFGPXXEPFYDP-GFCCVEGCSA-N 1 1 287.367 1.493 40 0 CDABMO Cc1c[nH]c([C@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)n1 ZINC000257264974 190023411 /nfs/dbraw/zinc/02/34/11/190023411.db2.gz LWUIVDZUMXJFIA-ZDUSSCGKSA-N 1 1 279.384 1.439 40 0 CDABMO CNc1nccnc1[C@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000257258120 190021300 /nfs/dbraw/zinc/02/13/00/190021300.db2.gz KSLVKPOFINJXPE-CYBMUJFWSA-N 1 1 292.383 1.318 40 0 CDABMO CNc1nccnc1[C@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC000257258120 190021301 /nfs/dbraw/zinc/02/13/01/190021301.db2.gz KSLVKPOFINJXPE-CYBMUJFWSA-N 1 1 292.383 1.318 40 0 CDABMO COc1cccc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257256569 190021888 /nfs/dbraw/zinc/02/18/88/190021888.db2.gz KMANXFDQWGEDPO-HOTGVXAUSA-N 1 1 277.364 1.811 40 0 CDABMO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)C2(CN)C[NH3+])cc1 ZINC000218396374 375827142 /nfs/dbraw/zinc/82/71/42/375827142.db2.gz CNRMZWACIZSSRP-ZIAGYGMSSA-N 1 1 296.436 1.053 40 0 CDABMO C[N@H+]1CCN(Cc2cccc(Cl)c2)C[C@@H](C(N)=O)C1 ZINC000257334609 190036405 /nfs/dbraw/zinc/03/64/05/190036405.db2.gz YGQOPGGAIQJDAL-LBPRGKRZSA-N 1 1 281.787 1.189 40 0 CDABMO Cc1cncc([C@@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)n1 ZINC000257335524 190036435 /nfs/dbraw/zinc/03/64/35/190036435.db2.gz YKNUTEVTKYJDTK-CQSZACIVSA-N 1 1 291.395 1.506 40 0 CDABMO CN1CCC(CCO)([NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000331198768 376717456 /nfs/dbraw/zinc/71/74/56/376717456.db2.gz VMUJZJFVYIKDII-UHFFFAOYSA-N 1 1 294.443 1.575 40 0 CDABMO CCn1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c(C)n1 ZINC000001458783 377998277 /nfs/dbraw/zinc/99/82/77/377998277.db2.gz ZKZKGXIDAWIAAY-LBPRGKRZSA-N 1 1 262.357 1.132 40 0 CDABMO C[C@H]1CC(C)(C)CN1C(=O)NCC[NH+]1CCSCC1 ZINC000334576793 379079981 /nfs/dbraw/zinc/07/99/81/379079981.db2.gz IEEYPRSQNJCVPX-LBPRGKRZSA-N 1 1 285.457 1.865 40 0 CDABMO CC[N@H+]1CCC[C@](O)(CN(C)Cc2ccc(C)o2)C1 ZINC000041124075 379336477 /nfs/dbraw/zinc/33/64/77/379336477.db2.gz OPZUSJLTPNRDMT-HNNXBMFYSA-N 1 1 266.385 1.867 40 0 CDABMO CN(C)C1=[NH+]OC2(C1)CCN(c1ncccn1)CC2 ZINC000096240288 390913590 /nfs/dbraw/zinc/91/35/90/390913590.db2.gz FXPYGPGCAPSUMI-UHFFFAOYSA-N 1 1 261.329 1.111 40 0 CDABMO COCC[N@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257303606 391649920 /nfs/dbraw/zinc/64/99/20/391649920.db2.gz SHXNCWAKZUEIOK-LBPRGKRZSA-N 1 1 276.340 1.608 40 0 CDABMO NC(=[NH2+])N1N=C(c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005602681 170118565 /nfs/dbraw/zinc/11/85/65/170118565.db2.gz XKDRAIQKEMZLMS-INIZCTEOSA-N 1 1 280.331 1.835 40 0 CDABMO CCn1ccc(C[NH2+]Cc2ccc(O)c(OC)c2)n1 ZINC000020352606 171156653 /nfs/dbraw/zinc/15/66/53/171156653.db2.gz UYZHVKDDJYRTSC-UHFFFAOYSA-N 1 1 261.325 1.907 40 0 CDABMO CC[C@@H](OC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000034930198 171895829 /nfs/dbraw/zinc/89/58/29/171895829.db2.gz GVESYJYZESSUIU-JKSUJKDBSA-N 1 1 279.380 1.847 40 0 CDABMO CCOc1ccc(NC(=O)NN2CC[NH+](C)CC2)cc1 ZINC000035311676 172122031 /nfs/dbraw/zinc/12/20/31/172122031.db2.gz WANXBYUFMDKXFV-UHFFFAOYSA-N 1 1 278.356 1.369 40 0 CDABMO CC(=O)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2C)n1 ZINC000072355402 176374662 /nfs/dbraw/zinc/37/46/62/176374662.db2.gz BGFUIBNOSDATDO-ZDUSSCGKSA-N 1 1 271.324 1.654 40 0 CDABMO NC(=O)C[N@@H+]1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000072367781 176382669 /nfs/dbraw/zinc/38/26/69/176382669.db2.gz WVEYPUDYSPJBFE-LLVKDONJSA-N 1 1 266.316 1.402 40 0 CDABMO NC(=O)C[N@H+]1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000072367781 176382670 /nfs/dbraw/zinc/38/26/70/176382670.db2.gz WVEYPUDYSPJBFE-LLVKDONJSA-N 1 1 266.316 1.402 40 0 CDABMO C[C@]1(C(N)=O)C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000072379915 176387047 /nfs/dbraw/zinc/38/70/47/176387047.db2.gz SDCUFNNABBADBZ-OAHLLOKOSA-N 1 1 273.336 1.244 40 0 CDABMO C[C@]1(C(N)=O)C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000072379915 176387048 /nfs/dbraw/zinc/38/70/48/176387048.db2.gz SDCUFNNABBADBZ-OAHLLOKOSA-N 1 1 273.336 1.244 40 0 CDABMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000195531487 278036842 /nfs/dbraw/zinc/03/68/42/278036842.db2.gz VMDZXINKFCTKOC-WCVJEAGWSA-N 1 1 282.428 1.333 40 0 CDABMO CCOc1ccc([C@H]([NH3+])c2nnc(C)[nH]2)cc1OC ZINC000095534210 185007592 /nfs/dbraw/zinc/00/75/92/185007592.db2.gz LMKVMZVQXXKVPF-LBPRGKRZSA-N 1 1 262.313 1.569 40 0 CDABMO c1cnc(OC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3CC2CC2)nc1 ZINC000096055282 342557650 /nfs/dbraw/zinc/55/76/50/342557650.db2.gz JMZBQEXKEWXMMM-RRFJBIMHSA-N 1 1 289.379 1.745 40 0 CDABMO CC[N@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000096042836 185070128 /nfs/dbraw/zinc/07/01/28/185070128.db2.gz BLACWVBGXDASPP-IACUBPJLSA-N 1 1 275.352 1.519 40 0 CDABMO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cn1 ZINC000096055743 185076231 /nfs/dbraw/zinc/07/62/31/185076231.db2.gz MKXKHSQQIHKGCQ-LSDHHAIUSA-N 1 1 297.362 1.195 40 0 CDABMO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1cnn(C)c1)C2 ZINC000096060139 185080241 /nfs/dbraw/zinc/08/02/41/185080241.db2.gz XOZZHIHTIKNFQM-AWEZNQCLSA-N 1 1 289.383 1.382 40 0 CDABMO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1cnn(C)c1)C2 ZINC000096060139 185080242 /nfs/dbraw/zinc/08/02/42/185080242.db2.gz XOZZHIHTIKNFQM-AWEZNQCLSA-N 1 1 289.383 1.382 40 0 CDABMO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CC[N@H+](C1CCC1)C2 ZINC000096064821 185084240 /nfs/dbraw/zinc/08/42/40/185084240.db2.gz YGVIFSOZHYONCK-GDBMZVCRSA-N 1 1 278.396 1.546 40 0 CDABMO CN(C)C(=O)C1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC000096087190 185093834 /nfs/dbraw/zinc/09/38/34/185093834.db2.gz HXBRINKWVWTXLX-UHFFFAOYSA-N 1 1 293.455 1.661 40 0 CDABMO CN(C)C(=O)C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC000096087190 185093836 /nfs/dbraw/zinc/09/38/36/185093836.db2.gz HXBRINKWVWTXLX-UHFFFAOYSA-N 1 1 293.455 1.661 40 0 CDABMO COCc1nnc2n1CC[N@@H+](CC1CCCC1)[C@H]2C ZINC000585097605 342211568 /nfs/dbraw/zinc/21/15/68/342211568.db2.gz NJWKNHYEZVZNJO-NSHDSACASA-N 1 1 264.373 1.991 40 0 CDABMO COCc1nnc2n1CC[N@H+](CC1CCCC1)[C@H]2C ZINC000585097605 342211569 /nfs/dbraw/zinc/21/15/69/342211569.db2.gz NJWKNHYEZVZNJO-NSHDSACASA-N 1 1 264.373 1.991 40 0 CDABMO O=C(CC1CC1)NC[C@@H]1C[N@H+](CC2CC2)Cc2cncn21 ZINC000247895144 362137808 /nfs/dbraw/zinc/13/78/08/362137808.db2.gz ZSGHOLRYBHSQRO-OAHLLOKOSA-N 1 1 288.395 1.566 40 0 CDABMO O=C(CC1CC1)NC[C@@H]1C[N@@H+](CC2CC2)Cc2cncn21 ZINC000247895144 362137811 /nfs/dbraw/zinc/13/78/11/362137811.db2.gz ZSGHOLRYBHSQRO-OAHLLOKOSA-N 1 1 288.395 1.566 40 0 CDABMO CC(C)C[N@H+]1C[C@H]2C[C@@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000248209766 362156712 /nfs/dbraw/zinc/15/67/12/362156712.db2.gz CQTNEZZWMZWGRU-MGPQQGTHSA-N 1 1 266.385 1.258 40 0 CDABMO Cn1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CC2)CS3)cn1 ZINC000248097194 362149964 /nfs/dbraw/zinc/14/99/64/362149964.db2.gz DBPVRUMSNTZMNF-CQSZACIVSA-N 1 1 293.436 1.907 40 0 CDABMO C[C@H]1Cc2[nH+]cn(Cc3nc(N(C)C)no3)c2C[C@@H]1C ZINC000295042000 199315859 /nfs/dbraw/zinc/31/58/59/199315859.db2.gz AKVJCQCYIWARDJ-UWVGGRQHSA-N 1 1 275.356 1.751 40 0 CDABMO CNC(=O)[C@@H]1COC[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000097953302 529911108 /nfs/dbraw/zinc/91/11/08/529911108.db2.gz XWGRCHCGKYVMOE-BPLDGKMQSA-N 1 1 292.354 1.266 40 0 CDABMO c1ccc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000253588520 362439565 /nfs/dbraw/zinc/43/95/65/362439565.db2.gz GIIGNWXDMJMFCV-DLBZAZTESA-N 1 1 287.407 1.767 40 0 CDABMO O[C@H]1COCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000085435997 179062514 /nfs/dbraw/zinc/06/25/14/179062514.db2.gz PJOPXQVYNNKGMS-CQSZACIVSA-N 1 1 258.321 1.428 40 0 biogenic,in-vitro CDABMO O=C1NC[C@H]2C[N@@H+](Cc3c[nH]c4ccccc34)CCN12 ZINC000085436138 179063169 /nfs/dbraw/zinc/06/31/69/179063169.db2.gz ZYDIQSCFAGGBMG-LBPRGKRZSA-N 1 1 270.336 1.377 40 0 biogenic,in-vitro CDABMO COC[C@H]1C[N@H+](Cc2scnc2C)Cc2cn(C)nc21 ZINC000106813308 186136363 /nfs/dbraw/zinc/13/63/63/186136363.db2.gz QWFDNBLLZUPOCG-GFCCVEGCSA-N 1 1 292.408 1.931 40 0 CDABMO COC[C@H]1C[N@@H+](Cc2scnc2C)Cc2cn(C)nc21 ZINC000106813308 186136365 /nfs/dbraw/zinc/13/63/65/186136365.db2.gz QWFDNBLLZUPOCG-GFCCVEGCSA-N 1 1 292.408 1.931 40 0 CDABMO CC(C)NC(=O)C[C@H]1[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]12 ZINC000107253884 186165040 /nfs/dbraw/zinc/16/50/40/186165040.db2.gz QQIAYVZGGXLQPR-QDMKHBRRSA-N 1 1 273.380 1.674 40 0 CDABMO CN(C)C(=O)NC1CC2(C1)CC[N@@H+](Cc1ccncc1)C2 ZINC000108524996 186220880 /nfs/dbraw/zinc/22/08/80/186220880.db2.gz RYPLWUYLEKJZCE-UHFFFAOYSA-N 1 1 288.395 1.707 40 0 CDABMO O[C@@H]1CCC[N@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000019291899 356480040 /nfs/dbraw/zinc/48/00/40/356480040.db2.gz ZTCUQHBRVJZDHX-CQSZACIVSA-N 1 1 276.384 1.424 40 0 CDABMO O[C@@H]1CCC[N@@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000019291899 356480043 /nfs/dbraw/zinc/48/00/43/356480043.db2.gz ZTCUQHBRVJZDHX-CQSZACIVSA-N 1 1 276.384 1.424 40 0 CDABMO O[C@@H](CNc1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000031719550 356768181 /nfs/dbraw/zinc/76/81/81/356768181.db2.gz RGHGAOGQDSBDTB-ZDUSSCGKSA-N 1 1 270.760 1.445 40 0 CDABMO CCN(C[C@@H]1CCC[N@@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079408017 356991417 /nfs/dbraw/zinc/99/14/17/356991417.db2.gz PSHSWLUKFFJWGA-CYBMUJFWSA-N 1 1 286.416 1.948 40 0 CDABMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)OCc1ccccc1 ZINC000079419844 356995080 /nfs/dbraw/zinc/99/50/80/356995080.db2.gz LXIYQIGTEAXZQK-CYBMUJFWSA-N 1 1 278.352 1.322 40 0 CDABMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)OCc1ccccc1 ZINC000079419844 356995084 /nfs/dbraw/zinc/99/50/84/356995084.db2.gz LXIYQIGTEAXZQK-CYBMUJFWSA-N 1 1 278.352 1.322 40 0 CDABMO OCC[N@@H+](Cc1ccc(Br)nc1)C1CC1 ZINC000079421513 356996441 /nfs/dbraw/zinc/99/64/41/356996441.db2.gz LIJLTLNQSZOHEL-UHFFFAOYSA-N 1 1 271.158 1.801 40 0 CDABMO C[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000069543394 357679407 /nfs/dbraw/zinc/67/94/07/357679407.db2.gz GKLRMNJQICVDDQ-UHFFFAOYSA-N 1 1 252.745 1.657 40 0 CDABMO CC[NH+](CC)c1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1 ZINC000000028965 357747174 /nfs/dbraw/zinc/74/71/74/357747174.db2.gz CIJXGHXMQYQBBS-UHFFFAOYSA-N 1 1 274.324 1.653 40 0 CDABMO Cc1ccc(N2CCO[C@H]3C[N@@H+](CC4CC4)C[C@H]32)nn1 ZINC000096054418 358707098 /nfs/dbraw/zinc/70/70/98/358707098.db2.gz OFBQQUVMUZSUFL-KGLIPLIRSA-N 1 1 274.368 1.084 40 0 CDABMO Cn1cc2c(n1)[C@@H](C[NH2+]Cc1nccs1)OCC2 ZINC000096059679 358707111 /nfs/dbraw/zinc/70/71/11/358707111.db2.gz ISIXXUKFOWPOMC-SNVBAGLBSA-N 1 1 264.354 1.280 40 0 CDABMO COc1ncccc1C[N@H+]1C[C@H](OC)[C@H]2OCCC[C@H]21 ZINC000096187000 358715278 /nfs/dbraw/zinc/71/52/78/358715278.db2.gz VQFNZBBBQCTMKP-RDBSUJKOSA-N 1 1 278.352 1.468 40 0 CDABMO COc1ncccc1C[N@@H+]1C[C@H](OC)[C@H]2OCCC[C@H]21 ZINC000096187000 358715280 /nfs/dbraw/zinc/71/52/80/358715280.db2.gz VQFNZBBBQCTMKP-RDBSUJKOSA-N 1 1 278.352 1.468 40 0 CDABMO COCCNC(=O)C[C@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@@H]12 ZINC000096207977 358720378 /nfs/dbraw/zinc/72/03/78/358720378.db2.gz GZAPCROQNAIYNN-BPLDGKMQSA-N 1 1 296.411 1.029 40 0 CDABMO CN(C)C(=O)C[C@@H]1OC[C@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC000096207324 358720471 /nfs/dbraw/zinc/72/04/71/358720471.db2.gz OHVJPGHYUUGLOV-MCIONIFRSA-N 1 1 266.385 1.212 40 0 CDABMO CN(C)C(=O)[C@]12COC[C@H]1C[N@@H+](Cc1cccs1)C2 ZINC000096219392 358722415 /nfs/dbraw/zinc/72/24/15/358722415.db2.gz MVOHPEVAYNYCQR-BXUZGUMPSA-N 1 1 280.393 1.285 40 0 CDABMO CN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc[nH]1)C2 ZINC000096229704 358723987 /nfs/dbraw/zinc/72/39/87/358723987.db2.gz CFXFMORMJVPPRP-HNNXBMFYSA-N 1 1 261.369 1.992 40 0 CDABMO CN(C)c1ncnc2c1CC[N@@H+](CC1CCOCC1)CC2 ZINC000096255415 358729022 /nfs/dbraw/zinc/72/90/22/358729022.db2.gz CPHMNTUDJRGEAT-UHFFFAOYSA-N 1 1 290.411 1.370 40 0 CDABMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 ZINC000107205976 359016935 /nfs/dbraw/zinc/01/69/35/359016935.db2.gz SOVPUBRFFRYFHU-GJZGRUSLSA-N 1 1 288.395 1.213 40 0 CDABMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 ZINC000107205976 359016937 /nfs/dbraw/zinc/01/69/37/359016937.db2.gz SOVPUBRFFRYFHU-GJZGRUSLSA-N 1 1 288.395 1.213 40 0 CDABMO COC(=O)[C@@H]1CC[N@H+](Cc2cncs2)C[C@@H]1C ZINC000225603244 360693099 /nfs/dbraw/zinc/69/30/99/360693099.db2.gz NZWBTYWCFYGOMC-GXSJLCMTSA-N 1 1 254.355 1.774 40 0 CDABMO COC(=O)[C@@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1C ZINC000225603244 360693105 /nfs/dbraw/zinc/69/31/05/360693105.db2.gz NZWBTYWCFYGOMC-GXSJLCMTSA-N 1 1 254.355 1.774 40 0 CDABMO COC[C@@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218462080 372827359 /nfs/dbraw/zinc/82/73/59/372827359.db2.gz BVYZNJDIDHFNJL-GRYCIOLGSA-N 1 1 289.784 1.194 40 0 CDABMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)C2CC2)cc1 ZINC000225454798 374432542 /nfs/dbraw/zinc/43/25/42/374432542.db2.gz XZPCCRNXGFUVHO-CQSZACIVSA-N 1 1 298.408 1.380 40 0 CDABMO Cn1ncc(CNCC[NH+](C)C)c1C(F)(F)F ZINC000256053369 190005101 /nfs/dbraw/zinc/00/51/01/190005101.db2.gz RDWMADKUTYXLGW-UHFFFAOYSA-N 1 1 250.268 1.090 40 0 CDABMO Cc1c[nH]nc1[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000257238624 190017926 /nfs/dbraw/zinc/01/79/26/190017926.db2.gz HLVPVYOHWJOYMK-LBPRGKRZSA-N 1 1 273.340 1.239 40 0 CDABMO Cc1cc(N)cc([C@@H]2CN(Cc3ccnc(C)n3)CCO2)[nH+]1 ZINC000257266766 190023482 /nfs/dbraw/zinc/02/34/82/190023482.db2.gz MELNJRDQCYKTHB-INIZCTEOSA-N 1 1 299.378 1.644 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2cnn(C)c2C)CC[C@@]12CCCO2 ZINC000257293032 190028655 /nfs/dbraw/zinc/02/86/55/190028655.db2.gz QNWLIKSVAVNDTI-GJZGRUSLSA-N 1 1 279.384 1.498 40 0 CDABMO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257310434 190032356 /nfs/dbraw/zinc/03/23/56/190032356.db2.gz UFBGYWYWUGBHOI-GFCCVEGCSA-N 1 1 257.341 1.590 40 0 CDABMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257310434 190032357 /nfs/dbraw/zinc/03/23/57/190032357.db2.gz UFBGYWYWUGBHOI-GFCCVEGCSA-N 1 1 257.341 1.590 40 0 CDABMO O=S1(=O)C[C@@H](N2CCCCC2)[C@@H]1C[NH+]1CCCCC1 ZINC000001721956 285072509 /nfs/dbraw/zinc/07/25/09/285072509.db2.gz UMXQSISCAZISLA-KGLIPLIRSA-N 1 1 286.441 1.124 40 0 CDABMO Cc1noc(CN[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000289322245 197296408 /nfs/dbraw/zinc/29/64/08/197296408.db2.gz CMKVOLZXDOBFJK-ZFWWWQNUSA-N 1 1 272.352 1.913 40 0 CDABMO O[C@@H](COC[C@H]1C[C@H]2CC[C@@H]1C2)C[NH+]1CCOCC1 ZINC000035354149 285307474 /nfs/dbraw/zinc/30/74/74/285307474.db2.gz YQHLULJNYGIRMM-GBJTYRQASA-N 1 1 269.385 1.132 40 0 CDABMO Cc1ccc(CN2C[C@H]3C[N@H+](C)CCN3C2=O)cc1 ZINC000085436237 292102825 /nfs/dbraw/zinc/10/28/25/292102825.db2.gz NEWBUEPRHACUCF-CQSZACIVSA-N 1 1 259.353 1.547 40 0 biogenic,in-vitro CDABMO Cc1ccc(CN2C[C@H]3C[N@@H+](C)CCN3C2=O)cc1 ZINC000085436237 292102826 /nfs/dbraw/zinc/10/28/26/292102826.db2.gz NEWBUEPRHACUCF-CQSZACIVSA-N 1 1 259.353 1.547 40 0 biogenic,in-vitro CDABMO CN(C)CC[N@H+]1CCC[C@@]12CCCN(c1cnccn1)C2 ZINC000096071424 398069509 /nfs/dbraw/zinc/06/95/09/398069509.db2.gz FSZJYMLHFCDXNV-MRXNPFEDSA-N 1 1 289.427 1.473 40 0 CDABMO C[NH+](C)CCN1CCC[C@@]12CCCN(c1cnccn1)C2 ZINC000096071424 398069511 /nfs/dbraw/zinc/06/95/11/398069511.db2.gz FSZJYMLHFCDXNV-MRXNPFEDSA-N 1 1 289.427 1.473 40 0 CDABMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=S)Nc1ccccc1 ZINC000035333362 172131705 /nfs/dbraw/zinc/13/17/05/172131705.db2.gz NXZQMQODJDGJBC-CHWSQXEVSA-N 1 1 293.436 1.770 40 0 CDABMO O=C1NCC[NH2+][C@@H]1Cc1cccc(-c2cccnc2)c1 ZINC000072352875 176374417 /nfs/dbraw/zinc/37/44/17/176374417.db2.gz ZVEIKMBUDRKKIW-OAHLLOKOSA-N 1 1 267.332 1.379 40 0 CDABMO Cc1nccn1-c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072355464 176374863 /nfs/dbraw/zinc/37/48/63/176374863.db2.gz JLIAPWSQPCKOQI-LBPRGKRZSA-N 1 1 257.341 1.780 40 0 CDABMO NC(=O)c1ccc([C@@H]2C[N@@H+](C3CCCC3)CCO2)nc1 ZINC000072380852 176387037 /nfs/dbraw/zinc/38/70/37/176387037.db2.gz FUSKBQASAVZREB-AWEZNQCLSA-N 1 1 275.352 1.496 40 0 CDABMO NC(=O)c1ccc([C@@H]2C[N@H+](C3CCCC3)CCO2)nc1 ZINC000072380852 176387038 /nfs/dbraw/zinc/38/70/38/176387038.db2.gz FUSKBQASAVZREB-AWEZNQCLSA-N 1 1 275.352 1.496 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)cc1 ZINC000072397624 176395131 /nfs/dbraw/zinc/39/51/31/176395131.db2.gz YXVJSUXEIQRSPJ-KCPJHIHWSA-N 1 1 264.344 1.465 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2ccccc2n1 ZINC000072397683 176395140 /nfs/dbraw/zinc/39/51/40/176395140.db2.gz QQAMDUOCCFJGNN-XOKHGSTOSA-N 1 1 297.402 1.874 40 0 CDABMO OCCn1cc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000072406720 176398080 /nfs/dbraw/zinc/39/80/80/176398080.db2.gz VPBGBBTWVQTLJD-UHFFFAOYSA-N 1 1 257.337 1.434 40 0 CDABMO OCCn1cc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000072406720 176398081 /nfs/dbraw/zinc/39/80/81/176398081.db2.gz VPBGBBTWVQTLJD-UHFFFAOYSA-N 1 1 257.337 1.434 40 0 CDABMO CCOc1ccc(CN(C)C[C@@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000046087351 423939624 /nfs/dbraw/zinc/93/96/24/423939624.db2.gz HLSNXKOXUGZJHR-QGZVFWFLSA-N 1 1 292.423 1.974 40 0 CDABMO CCOc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C)C2)cc1 ZINC000046087351 423939635 /nfs/dbraw/zinc/93/96/35/423939635.db2.gz HLSNXKOXUGZJHR-QGZVFWFLSA-N 1 1 292.423 1.974 40 0 CDABMO CCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C)C2)cc1 ZINC000046087351 423939645 /nfs/dbraw/zinc/93/96/45/423939645.db2.gz HLSNXKOXUGZJHR-QGZVFWFLSA-N 1 1 292.423 1.974 40 0 CDABMO COc1ncccc1C[N@H+]1CCC[C@@]2(CCC(=O)N2C)C1 ZINC000096071166 278094930 /nfs/dbraw/zinc/09/49/30/278094930.db2.gz XDVMPORUBNVOPR-MRXNPFEDSA-N 1 1 289.379 1.677 40 0 CDABMO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCO)C1 ZINC000079408067 279299648 /nfs/dbraw/zinc/29/96/48/279299648.db2.gz HWCSAJUPKCFHAC-LBPRGKRZSA-N 1 1 272.389 1.699 40 0 CDABMO CCS(=O)(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CC(C)C ZINC000096055790 280015775 /nfs/dbraw/zinc/01/57/75/280015775.db2.gz NPXUQSIAROKEDY-NWDGAFQWSA-N 1 1 260.403 1.141 40 0 CDABMO O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC001547139903 974833867 /nfs/dbraw/zinc/83/38/67/974833867.db2.gz GSVVZNYQAGBDOE-XGUBFFRZSA-N 1 1 260.381 1.895 40 0 CDABMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cccc(C)c1)C2 ZINC000096038767 185069463 /nfs/dbraw/zinc/06/94/63/185069463.db2.gz MWTGCIULYGGYJZ-NVXWUHKLSA-N 1 1 288.391 1.722 40 0 CDABMO COCC[N@H+]1CC[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096046073 185071684 /nfs/dbraw/zinc/07/16/84/185071684.db2.gz HJKBGYFPFYHPCC-YNEHKIRRSA-N 1 1 293.367 1.745 40 0 CDABMO c1cnc(N[C@H]2CO[C@@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096047750 185072439 /nfs/dbraw/zinc/07/24/39/185072439.db2.gz PUMJTAWIVWYEPX-HIFRSBDPSA-N 1 1 274.368 1.532 40 0 CDABMO c1ncc(O[C@H]2C[C@@H]3C[N@@H+](CC4CC4)CCN3C2)cn1 ZINC000096055016 185076374 /nfs/dbraw/zinc/07/63/74/185076374.db2.gz GIZHOTULGCNHQK-KGLIPLIRSA-N 1 1 274.368 1.024 40 0 CDABMO c1ncc(O[C@H]2C[C@@H]3CN(CC4CC4)CC[N@@H+]3C2)cn1 ZINC000096055016 185076376 /nfs/dbraw/zinc/07/63/76/185076376.db2.gz GIZHOTULGCNHQK-KGLIPLIRSA-N 1 1 274.368 1.024 40 0 CDABMO c1ncc(O[C@H]2C[C@@H]3CN(CC4CC4)CC[N@H+]3C2)cn1 ZINC000096055016 185076378 /nfs/dbraw/zinc/07/63/78/185076378.db2.gz GIZHOTULGCNHQK-KGLIPLIRSA-N 1 1 274.368 1.024 40 0 CDABMO CCS(=O)(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC000096055843 185076524 /nfs/dbraw/zinc/07/65/24/185076524.db2.gz WHNLXEBTWFBRMV-UONOGXRCSA-N 1 1 295.408 1.080 40 0 CDABMO CCS(=O)(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000096055843 185076525 /nfs/dbraw/zinc/07/65/25/185076525.db2.gz WHNLXEBTWFBRMV-UONOGXRCSA-N 1 1 295.408 1.080 40 0 CDABMO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccsc1 ZINC000096056487 185077843 /nfs/dbraw/zinc/07/78/43/185077843.db2.gz CHTQCOOFLOFXLQ-ZIAGYGMSSA-N 1 1 294.420 1.960 40 0 CDABMO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CC[N@H+]3C)cc1 ZINC000096063942 185084173 /nfs/dbraw/zinc/08/41/73/185084173.db2.gz IUSXSLVLNJEWAP-UONOGXRCSA-N 1 1 296.392 1.162 40 0 CDABMO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096069213 185085777 /nfs/dbraw/zinc/08/57/77/185085777.db2.gz UAJRGGPBZOAVLK-UHFFFAOYSA-N 1 1 271.368 1.576 40 0 CDABMO Cc1ccc2c(n1)N(C)CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096069213 185085778 /nfs/dbraw/zinc/08/57/78/185085778.db2.gz UAJRGGPBZOAVLK-UHFFFAOYSA-N 1 1 271.368 1.576 40 0 CDABMO CCOC[C@]12COC[C@H]1C[N@@H+](Cc1scnc1C)C2 ZINC000096108673 185099543 /nfs/dbraw/zinc/09/95/43/185099543.db2.gz VGFMCBKHHIXDPR-TZMCWYRMSA-N 1 1 282.409 1.936 40 0 CDABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)o1 ZINC000096110034 185099553 /nfs/dbraw/zinc/09/95/53/185099553.db2.gz OGSNCPBISIFHIJ-IUODEOHRSA-N 1 1 289.335 1.679 40 0 CDABMO Cn1cnc2c1C[C@@H](CO)[N@@H+](CCc1ccccc1)C2 ZINC000585094857 342211348 /nfs/dbraw/zinc/21/13/48/342211348.db2.gz QRUWRPSOPXYZEQ-AWEZNQCLSA-N 1 1 271.364 1.382 40 0 CDABMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)c(C)n1C ZINC000008052037 342350593 /nfs/dbraw/zinc/35/05/93/342350593.db2.gz YSZVSSLORCSSHH-UHFFFAOYSA-N 1 1 279.384 1.094 40 0 CDABMO C[N@H+]1CCC[C@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000257250797 362581167 /nfs/dbraw/zinc/58/11/67/362581167.db2.gz JOAQLSGPYBQTJS-QMMMGPOBSA-N 1 1 285.273 1.952 40 0 CDABMO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(CO)cc1 ZINC000091355855 180139166 /nfs/dbraw/zinc/13/91/66/180139166.db2.gz RAFYXCPSYWAOID-LBPRGKRZSA-N 1 1 251.326 1.390 40 0 CDABMO C[C@@H]1CCC[C@H]1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000035093050 355958027 /nfs/dbraw/zinc/95/80/27/355958027.db2.gz NOPQVBCPBSUPGR-UXXRCYHCSA-N 1 1 271.401 1.662 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(F)c1 ZINC000004497862 356032660 /nfs/dbraw/zinc/03/26/60/356032660.db2.gz OFUNOGPCVYCCBD-CYBMUJFWSA-N 1 1 293.342 1.365 40 0 CDABMO Cc1cc2nc(CC(=O)N(C)CC[NH+](C)C)[nH]c2c(C)c1 ZINC000019568364 356491916 /nfs/dbraw/zinc/49/19/16/356491916.db2.gz ORDXGWFKIITFQM-UHFFFAOYSA-N 1 1 288.395 1.742 40 0 CDABMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000019721073 356496980 /nfs/dbraw/zinc/49/69/80/356496980.db2.gz KGHKTZJZPDWUCA-BFHYXJOUSA-N 1 1 266.385 1.261 40 0 CDABMO C[NH+](C)CC(=O)Nc1ccc(F)cc1OC(F)F ZINC000135146138 357699970 /nfs/dbraw/zinc/69/99/70/357699970.db2.gz TWKFODOLWPEUND-UHFFFAOYSA-N 1 1 262.231 1.927 40 0 CDABMO C[N@H+]1CCC[C@H](Cc2ccc(N3CCOCC3)nn2)C1 ZINC000072386621 357831720 /nfs/dbraw/zinc/83/17/20/357831720.db2.gz BHXBRLRAOWFXIG-CYBMUJFWSA-N 1 1 276.384 1.198 40 0 CDABMO C[N@H+]1CCC[C@H](C(=O)NCCCOC2CCCC2)C1 ZINC000081305824 358122062 /nfs/dbraw/zinc/12/20/62/358122062.db2.gz JWDALPSSJDZFLD-ZDUSSCGKSA-N 1 1 268.401 1.794 40 0 CDABMO COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C ZINC000072559961 358251667 /nfs/dbraw/zinc/25/16/67/358251667.db2.gz LWWHCFUPNYHMSG-AWEZNQCLSA-N 1 1 290.363 1.961 40 0 CDABMO COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C ZINC000072559961 358251670 /nfs/dbraw/zinc/25/16/70/358251670.db2.gz LWWHCFUPNYHMSG-AWEZNQCLSA-N 1 1 290.363 1.961 40 0 CDABMO CCSC[C@H](C)[N@@H+](C)Cc1cc(=O)c(O)co1 ZINC000072903193 358744727 /nfs/dbraw/zinc/74/47/27/358744727.db2.gz VOCFJMGBAAGQSY-VIFPVBQESA-N 1 1 257.355 1.919 40 0 CDABMO CN(C)[C@@H]1C[N@H+](Cc2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000096040576 358706526 /nfs/dbraw/zinc/70/65/26/358706526.db2.gz FTVOIFUFRKKWCC-ZNMIVQPWSA-N 1 1 264.369 1.821 40 0 CDABMO CN(C)[C@@H]1C[N@@H+](Cc2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000096040576 358706528 /nfs/dbraw/zinc/70/65/28/358706528.db2.gz FTVOIFUFRKKWCC-ZNMIVQPWSA-N 1 1 264.369 1.821 40 0 CDABMO c1cncc(C[N@H+]2C[C@H](OCC3CC3)[C@H]3COC[C@H]32)c1 ZINC000096185026 358713918 /nfs/dbraw/zinc/71/39/18/358713918.db2.gz NQSIAONQXGBKNS-XHSDSOJGSA-N 1 1 274.364 1.707 40 0 CDABMO c1cncc(C[N@@H+]2C[C@H](OCC3CC3)[C@H]3COC[C@H]32)c1 ZINC000096185026 358713921 /nfs/dbraw/zinc/71/39/21/358713921.db2.gz NQSIAONQXGBKNS-XHSDSOJGSA-N 1 1 274.364 1.707 40 0 CDABMO Cc1cccc(Cn2c(=O)ccc3c2CC[N@@H+](C)CC3)n1 ZINC000096196729 358716562 /nfs/dbraw/zinc/71/65/62/358716562.db2.gz YZJZZIIHCJDMNC-UHFFFAOYSA-N 1 1 283.375 1.630 40 0 CDABMO CC[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccoc3)C2)C1 ZINC000096228872 358723723 /nfs/dbraw/zinc/72/37/23/358723723.db2.gz GHZDRUTXDLXSBT-MRXNPFEDSA-N 1 1 292.379 1.854 40 0 CDABMO CC[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096228870 358724200 /nfs/dbraw/zinc/72/42/00/358724200.db2.gz DWSHPBBWCOAHES-MRXNPFEDSA-N 1 1 292.379 1.854 40 0 CDABMO C[N@H+]1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244280 358724803 /nfs/dbraw/zinc/72/48/03/358724803.db2.gz WROPEUSVOUHQBO-MRXNPFEDSA-N 1 1 282.347 1.642 40 0 CDABMO Cc1nc(C)c2c(n1)CC[N@@H+](Cc1nccn1C)CC2 ZINC000096254517 358727932 /nfs/dbraw/zinc/72/79/32/358727932.db2.gz BUCSXJYZILIOIL-UHFFFAOYSA-N 1 1 271.368 1.428 40 0 CDABMO Cc1nc(C)c2c(n1)CC[N@H+](Cc1nccn1C)CC2 ZINC000096254517 358727933 /nfs/dbraw/zinc/72/79/33/358727933.db2.gz BUCSXJYZILIOIL-UHFFFAOYSA-N 1 1 271.368 1.428 40 0 CDABMO C[N@@H+]1CCO[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1 ZINC000096268607 358730321 /nfs/dbraw/zinc/73/03/21/358730321.db2.gz TWROXVGYSNDKRD-HNNXBMFYSA-N 1 1 275.352 1.018 40 0 CDABMO C[N@H+]1CCO[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1 ZINC000096268607 358730322 /nfs/dbraw/zinc/73/03/22/358730322.db2.gz TWROXVGYSNDKRD-HNNXBMFYSA-N 1 1 275.352 1.018 40 0 CDABMO C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2F)CC1 ZINC000169831064 365051309 /nfs/dbraw/zinc/05/13/09/365051309.db2.gz MKYFLFBFXILXPL-UHFFFAOYSA-N 1 1 270.735 1.796 40 0 CDABMO COC[C@@H](O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831536 366889986 /nfs/dbraw/zinc/88/99/86/366889986.db2.gz ZUSQIOWQKLATDN-KBPBESRZSA-N 1 1 257.374 1.417 40 0 CDABMO CCS(=O)(=O)CC[N@H+](C)[C@@H]1CCC[C@@H]1SC ZINC000076146352 367003346 /nfs/dbraw/zinc/00/33/46/367003346.db2.gz DOMVATSAPRWGRJ-MNOVXSKESA-N 1 1 265.444 1.637 40 0 CDABMO CCS(=O)(=O)CC[N@@H+](C)[C@@H]1CCC[C@@H]1SC ZINC000076146352 367003352 /nfs/dbraw/zinc/00/33/52/367003352.db2.gz DOMVATSAPRWGRJ-MNOVXSKESA-N 1 1 265.444 1.637 40 0 CDABMO COC[C@@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218466368 372828857 /nfs/dbraw/zinc/82/88/57/372828857.db2.gz VQQPKIRSACCTKV-SDDRHHMPSA-N 1 1 289.784 1.194 40 0 CDABMO CCN1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000225406682 374300212 /nfs/dbraw/zinc/30/02/12/374300212.db2.gz WMZPXJDZGQYJMN-UAGQMJEPSA-N 1 1 276.424 1.910 40 0 CDABMO COC[C@H]1CC2(CN1Cc1nccs1)CC[NH2+]CC2 ZINC000306142927 374971614 /nfs/dbraw/zinc/97/16/14/374971614.db2.gz XOHJNXCGPJQUSA-GFCCVEGCSA-N 1 1 281.425 1.734 40 0 CDABMO Cc1c[nH]c([C@H]2C[N@@H+](CC3CCOCC3)CCO2)n1 ZINC000257248471 190020026 /nfs/dbraw/zinc/02/00/26/190020026.db2.gz JDUQLRVLVRGEAP-CYBMUJFWSA-N 1 1 265.357 1.518 40 0 CDABMO CN(C)C(=O)[C@]1(C)CCC[N@@H+](Cc2ccncc2)C1 ZINC000257282329 190026487 /nfs/dbraw/zinc/02/64/87/190026487.db2.gz OTHZRAJMPNWNLI-OAHLLOKOSA-N 1 1 261.369 1.772 40 0 CDABMO O=C(C[N@H+]1CCC[C@H](Cc2cccnc2)C1)N1CCCC1 ZINC000257292987 190028731 /nfs/dbraw/zinc/02/87/31/190028731.db2.gz QNSAHMBUIXDLFP-MRXNPFEDSA-N 1 1 287.407 1.959 40 0 CDABMO CNc1ncccc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257293649 190028844 /nfs/dbraw/zinc/02/88/44/190028844.db2.gz QQOALPYGMUWFLD-HZPDHXFCSA-N 1 1 299.374 1.747 40 0 CDABMO CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257302958 190030092 /nfs/dbraw/zinc/03/00/92/190030092.db2.gz SFDOBHKCFPPKDQ-HOTGVXAUSA-N 1 1 260.381 1.718 40 0 CDABMO Cc1cc(-c2ccnn2C)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000257312883 190032194 /nfs/dbraw/zinc/03/21/94/190032194.db2.gz UQAYIPFFXAKSPO-CYBMUJFWSA-N 1 1 257.341 1.952 40 0 CDABMO Cc1cc(-c2ccnn2C)nc([C@H]2CCC[N@H+]2C)n1 ZINC000257312883 190032195 /nfs/dbraw/zinc/03/21/95/190032195.db2.gz UQAYIPFFXAKSPO-CYBMUJFWSA-N 1 1 257.341 1.952 40 0 CDABMO COc1ccc([C@H]2C[NH2+]CCN2Cc2cnc[nH]2)cc1 ZINC000257321969 190033778 /nfs/dbraw/zinc/03/37/78/190033778.db2.gz WECDYXDNKUZSFD-OAHLLOKOSA-N 1 1 272.352 1.565 40 0 CDABMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccccc1 ZINC000067897089 377285874 /nfs/dbraw/zinc/28/58/74/377285874.db2.gz OHMCFNISVKVTDR-CABCVRRESA-N 1 1 274.364 1.507 40 0 biogenic,in-vitro CDABMO CN(CCc1ccccn1)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000041124032 379337177 /nfs/dbraw/zinc/33/71/77/379337177.db2.gz VAXJVWGDSHVPHS-OAHLLOKOSA-N 1 1 263.385 1.013 40 0 CDABMO CN1CCC[C@](O)(C[N@H+](C)CCc2ccccn2)C1 ZINC000041124032 379337186 /nfs/dbraw/zinc/33/71/86/379337186.db2.gz VAXJVWGDSHVPHS-OAHLLOKOSA-N 1 1 263.385 1.013 40 0 CDABMO CN1CCC[C@](O)(C[N@@H+](C)CCc2ccccn2)C1 ZINC000041124032 379337195 /nfs/dbraw/zinc/33/71/95/379337195.db2.gz VAXJVWGDSHVPHS-OAHLLOKOSA-N 1 1 263.385 1.013 40 0 CDABMO Cn1cc(N2C[C@@H]3C[N@@H+](Cc4ccoc4)C[C@@H]3C2=O)cn1 ZINC000096245238 256832070 /nfs/dbraw/zinc/83/20/70/256832070.db2.gz BBBRWJKFARNJKE-JSGCOSHPSA-N 1 1 286.335 1.108 40 0 CDABMO Cc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2Cc2ccccc2)o1 ZINC000072228138 390626681 /nfs/dbraw/zinc/62/66/81/390626681.db2.gz HZLPTKYQSRNJBZ-UONOGXRCSA-N 1 1 256.305 1.999 40 0 CDABMO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC000096043344 390912110 /nfs/dbraw/zinc/91/21/10/390912110.db2.gz KGBCWRFZCUZIEQ-OWCLPIDISA-N 1 1 292.423 1.792 40 0 CDABMO CC[C@@H](O)[C@H]1CCCC[N@H+]1C[C@@H](O)CN1CCC(C)CC1 ZINC000195530868 392101847 /nfs/dbraw/zinc/10/18/47/392101847.db2.gz VOJUROBBYILNPW-GVDBMIGSSA-N 1 1 298.471 1.705 40 0 CDABMO CC[C@H]1C[N@@H+](CC2(O)CCSCC2)CCCO1 ZINC000660468577 413149792 /nfs/dbraw/zinc/14/97/92/413149792.db2.gz KGGNNGAHMDKBRF-LBPRGKRZSA-N 1 1 259.415 1.745 40 0 CDABMO Cc1cc(=O)[nH]c([C@@H]2C[N@@H+](C3CCCC3)CCO2)n1 ZINC000257252091 397607419 /nfs/dbraw/zinc/60/74/19/397607419.db2.gz JTNMFTOCGODVBO-LBPRGKRZSA-N 1 1 263.341 1.807 40 0 CDABMO Cc1cc(=O)[nH]c([C@@H]2C[N@H+](C3CCCC3)CCO2)n1 ZINC000257252091 397607422 /nfs/dbraw/zinc/60/74/22/397607422.db2.gz JTNMFTOCGODVBO-LBPRGKRZSA-N 1 1 263.341 1.807 40 0 CDABMO O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCCC1 ZINC000006423019 170200075 /nfs/dbraw/zinc/20/00/75/170200075.db2.gz MGSFDURHEMGIML-OAHLLOKOSA-N 1 1 273.380 1.916 40 0 CDABMO COCCNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038833013 174157435 /nfs/dbraw/zinc/15/74/35/174157435.db2.gz AMRJXFYMMDFBAL-UHFFFAOYSA-N 1 1 273.336 1.616 40 0 CDABMO NC(=O)C[N@@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000072367786 176382203 /nfs/dbraw/zinc/38/22/03/176382203.db2.gz YFJPWEKKOPDXIT-NSHDSACASA-N 1 1 266.316 1.402 40 0 CDABMO NC(=O)C[N@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000072367786 176382204 /nfs/dbraw/zinc/38/22/04/176382204.db2.gz YFJPWEKKOPDXIT-NSHDSACASA-N 1 1 266.316 1.402 40 0 CDABMO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)o1 ZINC000072397628 176394933 /nfs/dbraw/zinc/39/49/33/176394933.db2.gz LCVHXNSVPJGZNT-KGYLQXTDSA-N 1 1 250.342 1.227 40 0 CDABMO CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)NC(N)=O ZINC000077364604 177257975 /nfs/dbraw/zinc/25/79/75/177257975.db2.gz CMZZTMBVFUOBBT-NSHDSACASA-N 1 1 255.362 1.472 40 0 CDABMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cccc(C)n1 ZINC000078499308 177347790 /nfs/dbraw/zinc/34/77/90/177347790.db2.gz NYUAANDMCCVBGP-AWEZNQCLSA-N 1 1 261.369 1.881 40 0 CDABMO Cc1cccc(N2CCC[C@@H](N(C)S(C)(=O)=O)C2)[nH+]1 ZINC000257324344 278922150 /nfs/dbraw/zinc/92/21/50/278922150.db2.gz WOFRFONOIRIOLI-GFCCVEGCSA-N 1 1 283.397 1.250 40 0 CDABMO C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C[C@H]1n1ccnc1 ZINC000247354605 524522922 /nfs/dbraw/zinc/52/29/22/524522922.db2.gz HDCYVZHEHHPOQK-BMFZPTHFSA-N 1 1 298.390 1.993 40 0 CDABMO CCOc1ccc([C@@H]([NH3+])c2ncn(C)n2)cc1OCC ZINC000095534635 185006997 /nfs/dbraw/zinc/00/69/97/185006997.db2.gz BTHBUHGCSXSDQC-CYBMUJFWSA-N 1 1 276.340 1.661 40 0 CDABMO Cc1nnc([C@H]2C[C@@H]3CC[N@@H+](CC4CC4)C[C@H]3O2)[nH]1 ZINC000096046227 185071551 /nfs/dbraw/zinc/07/15/51/185071551.db2.gz UOJTYZQFMWSCIG-YNEHKIRRSA-N 1 1 262.357 1.675 40 0 CDABMO Cc1nc([C@H]2C[C@@H]3CC[N@H+](CC4CC4)C[C@H]3O2)n[nH]1 ZINC000096046227 185071553 /nfs/dbraw/zinc/07/15/53/185071553.db2.gz UOJTYZQFMWSCIG-YNEHKIRRSA-N 1 1 262.357 1.675 40 0 CDABMO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](CC4CC4)C[C@H]3O2)n[nH]1 ZINC000096046227 185071555 /nfs/dbraw/zinc/07/15/55/185071555.db2.gz UOJTYZQFMWSCIG-YNEHKIRRSA-N 1 1 262.357 1.675 40 0 CDABMO CCN1CC(=O)NC[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096050496 185073731 /nfs/dbraw/zinc/07/37/31/185073731.db2.gz GPNUFMCRUJBHIQ-AWEZNQCLSA-N 1 1 279.409 1.144 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)cn1 ZINC000096049935 185073873 /nfs/dbraw/zinc/07/38/73/185073873.db2.gz XNGSTYWOWPDLJA-CQSZACIVSA-N 1 1 262.357 1.055 40 0 CDABMO COC[C@@H]1CCC[C@@]12C[N@H+](Cc1cnn(C)c1)CCO2 ZINC000096051839 185074836 /nfs/dbraw/zinc/07/48/36/185074836.db2.gz IFSRYMDGXQPTHL-LSDHHAIUSA-N 1 1 279.384 1.438 40 0 CDABMO COC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cnn(C)c1)CCO2 ZINC000096051839 185074837 /nfs/dbraw/zinc/07/48/37/185074837.db2.gz IFSRYMDGXQPTHL-LSDHHAIUSA-N 1 1 279.384 1.438 40 0 CDABMO COCC(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC000096062001 185082389 /nfs/dbraw/zinc/08/23/89/185082389.db2.gz DMNVKMAQEWZQSV-LBPRGKRZSA-N 1 1 294.399 1.273 40 0 CDABMO CCCCC[N@@H+]1C[C@H]2CN(C(=O)CCC(=O)OC)C[C@H]2C1 ZINC000096080934 185090679 /nfs/dbraw/zinc/09/06/79/185090679.db2.gz YLIGBGOIVQTRPB-OKILXGFUSA-N 1 1 296.411 1.520 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000096107930 185099904 /nfs/dbraw/zinc/09/99/04/185099904.db2.gz DWTGZJPBMGLRFK-SMDDNHRTSA-N 1 1 296.317 1.367 40 0 CDABMO COc1ccc(-c2nc(N)nc(C[NH+]3CCCCC3)n2)cc1 ZINC000575422544 342139658 /nfs/dbraw/zinc/13/96/58/342139658.db2.gz NYEMDNZIPSNNLS-UHFFFAOYSA-N 1 1 299.378 1.946 40 0 CDABMO C[C@@H]1c2ncc(CCOc3ccccn3)n2CC[N@@H+]1C ZINC000585098673 342212010 /nfs/dbraw/zinc/21/20/10/342212010.db2.gz WQIKAYXVELYTRR-GFCCVEGCSA-N 1 1 272.352 1.906 40 0 CDABMO CC[C@@H](C)N1C[C@@]2(CCC[N@H+](Cc3nccn3C)C2)C1=O ZINC000585099357 342212121 /nfs/dbraw/zinc/21/21/21/342212121.db2.gz HMFNBGVAGBXIIB-CJNGLKHVSA-N 1 1 290.411 1.643 40 0 CDABMO CC[C@@H](C)N1C[C@@]2(CCC[N@@H+](Cc3nccn3C)C2)C1=O ZINC000585099357 342212122 /nfs/dbraw/zinc/21/21/22/342212122.db2.gz HMFNBGVAGBXIIB-CJNGLKHVSA-N 1 1 290.411 1.643 40 0 CDABMO CO[C@H]1CSC2(C[NH+](Cc3c(C)noc3C)C2)C1 ZINC000247847930 362135184 /nfs/dbraw/zinc/13/51/84/362135184.db2.gz NNSCXPUCMTZFIV-LLVKDONJSA-N 1 1 268.382 1.998 40 0 CDABMO CC(C)[N@@H+]1Cc2ncn(C)c2[C@H](C(=O)NCC2CCC2)C1 ZINC000248063310 362148577 /nfs/dbraw/zinc/14/85/77/362148577.db2.gz VHFNGSWRUVBBAZ-CYBMUJFWSA-N 1 1 290.411 1.644 40 0 CDABMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2cccnc2C)C1 ZINC000623743283 345452383 /nfs/dbraw/zinc/45/23/83/345452383.db2.gz OLBQYWDGSMBIID-SMDDNHRTSA-N 1 1 276.384 1.529 40 0 CDABMO Cc1ccc(C[N@@H+]2C[C@H]3CN(C(N)=O)C[C@H]3C2)cc1 ZINC000107196376 186162215 /nfs/dbraw/zinc/16/22/15/186162215.db2.gz YMRBINYWZSCWCU-OKILXGFUSA-N 1 1 259.353 1.437 40 0 CDABMO Cc1nn(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(C)c1C ZINC000019556635 356491157 /nfs/dbraw/zinc/49/11/57/356491157.db2.gz CAOJHVDZUKBXBZ-LBPRGKRZSA-N 1 1 292.427 1.799 40 0 CDABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)ncc1C(N)=O ZINC000019759119 356499899 /nfs/dbraw/zinc/49/98/99/356499899.db2.gz RTNYELRJKUAZNL-CYBMUJFWSA-N 1 1 297.362 1.268 40 0 CDABMO CN(C(=O)c1cccs1)C(=S)N1CC[NH+](C)CC1 ZINC000031852176 356770748 /nfs/dbraw/zinc/77/07/48/356770748.db2.gz UFMOXFXWZUWZBD-UHFFFAOYSA-N 1 1 283.422 1.352 40 0 CDABMO C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079416035 356995321 /nfs/dbraw/zinc/99/53/21/356995321.db2.gz OTXLUJPDRDTOLU-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000079416035 356995322 /nfs/dbraw/zinc/99/53/22/356995322.db2.gz OTXLUJPDRDTOLU-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000079416035 356995325 /nfs/dbraw/zinc/99/53/25/356995325.db2.gz OTXLUJPDRDTOLU-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC000096268741 358730753 /nfs/dbraw/zinc/73/07/53/358730753.db2.gz JNJRQUXPVHIVDQ-QGZVFWFLSA-N 1 1 288.391 1.900 40 0 CDABMO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC000096268741 358730756 /nfs/dbraw/zinc/73/07/56/358730756.db2.gz JNJRQUXPVHIVDQ-QGZVFWFLSA-N 1 1 288.391 1.900 40 0 CDABMO O=c1[nH]c(C[N@H+]2CCCC[C@@H]2CCO)nc2ccccc21 ZINC000057605122 359101892 /nfs/dbraw/zinc/10/18/92/359101892.db2.gz OQCAPXZTFADPRC-GFCCVEGCSA-N 1 1 287.363 1.660 40 0 CDABMO O=c1[nH]c(C[N@@H+]2CCCC[C@@H]2CCO)nc2ccccc21 ZINC000057605122 359101893 /nfs/dbraw/zinc/10/18/93/359101893.db2.gz OQCAPXZTFADPRC-GFCCVEGCSA-N 1 1 287.363 1.660 40 0 CDABMO COCc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000224400692 359506255 /nfs/dbraw/zinc/50/62/55/359506255.db2.gz RGNRCKMSIIFWNY-UHFFFAOYSA-N 1 1 278.352 1.229 40 0 CDABMO C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000305212689 364891028 /nfs/dbraw/zinc/89/10/28/364891028.db2.gz HMOSRHFGTRUENM-XJKSGUPXSA-N 1 1 294.395 1.078 40 0 CDABMO CCS(=O)(=O)CC[N@H+](C)[C@H]1CCC[C@@H]1SC ZINC000076146354 367003576 /nfs/dbraw/zinc/00/35/76/367003576.db2.gz DOMVATSAPRWGRJ-QWRGUYRKSA-N 1 1 265.444 1.637 40 0 CDABMO CCS(=O)(=O)CC[N@@H+](C)[C@H]1CCC[C@@H]1SC ZINC000076146354 367003580 /nfs/dbraw/zinc/00/35/80/367003580.db2.gz DOMVATSAPRWGRJ-QWRGUYRKSA-N 1 1 265.444 1.637 40 0 CDABMO CCS(=O)(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@@]1([NH3+])COC ZINC000225658422 368067343 /nfs/dbraw/zinc/06/73/43/368067343.db2.gz UZERVGVYDLMGFA-IHRRRGAJSA-N 1 1 283.393 1.239 40 0 CDABMO O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1 ZINC000012631348 373523183 /nfs/dbraw/zinc/52/31/83/373523183.db2.gz AIKBGOLKCFZIGN-HZSPNIEDSA-N 1 1 287.363 1.414 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C ZINC000004476507 374316687 /nfs/dbraw/zinc/31/66/87/374316687.db2.gz NTXDKFXUCDASQF-ZDUSSCGKSA-N 1 1 289.379 1.534 40 0 CDABMO Cc1ccc(CN2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000306141470 374971756 /nfs/dbraw/zinc/97/17/56/374971756.db2.gz VXFSBQRQAISASJ-UHFFFAOYSA-N 1 1 260.381 1.949 40 0 CDABMO Cc1cc(C[NH2+]Cc2ccnn2CC(F)(F)F)n(C)n1 ZINC000256054245 190005110 /nfs/dbraw/zinc/00/51/10/190005110.db2.gz VOQYAMYCXMBRIY-UHFFFAOYSA-N 1 1 287.289 1.777 40 0 CDABMO CCOC[C@]1([NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218516725 375853418 /nfs/dbraw/zinc/85/34/18/375853418.db2.gz KWYIZCINPHWJAP-ILXRZTDVSA-N 1 1 297.420 1.493 40 0 CDABMO Cc1noc(CN[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000289322239 197296310 /nfs/dbraw/zinc/29/63/10/197296310.db2.gz CMKVOLZXDOBFJK-DZGCQCFKSA-N 1 1 272.352 1.913 40 0 CDABMO Cc1cc(N2CCOCC2)[nH+]cc1[C@@H]1CCCN1C=O ZINC000072219387 390623006 /nfs/dbraw/zinc/62/30/06/390623006.db2.gz RQZFZENEWKMTPS-AWEZNQCLSA-N 1 1 275.352 1.520 40 0 CDABMO COC[C@@H]1C[N@H+](Cc2ccncc2)Cc2nn(C)cc21 ZINC000096100440 390912814 /nfs/dbraw/zinc/91/28/14/390912814.db2.gz MWCMCWCMZIGYMQ-ZDUSSCGKSA-N 1 1 272.352 1.561 40 0 CDABMO COC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2nn(C)cc21 ZINC000096100440 390912815 /nfs/dbraw/zinc/91/28/15/390912815.db2.gz MWCMCWCMZIGYMQ-ZDUSSCGKSA-N 1 1 272.352 1.561 40 0 CDABMO Cn1ccc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000227220877 140182687 /nfs/dbraw/zinc/18/26/87/140182687.db2.gz WQOWSBRSMYISFG-GJZGRUSLSA-N 1 1 256.353 1.697 40 0 CDABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000072355526 176375134 /nfs/dbraw/zinc/37/51/34/176375134.db2.gz COXASHUOGSTTTM-AWEZNQCLSA-N 1 1 272.352 1.705 40 0 CDABMO COCCNC(=O)CCc1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000072360556 176377080 /nfs/dbraw/zinc/37/70/80/176377080.db2.gz DEWQURJDDMYYPT-HNNXBMFYSA-N 1 1 291.395 1.544 40 0 CDABMO OCC[N@H+]1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072383046 176388097 /nfs/dbraw/zinc/38/80/97/176388097.db2.gz KCRZOXYDBWSMNN-ZDUSSCGKSA-N 1 1 299.378 1.787 40 0 CDABMO C[N@H+]1CC[C@H](C(=O)Nc2cccc(Cn3cccn3)c2)C1 ZINC000072392094 176393803 /nfs/dbraw/zinc/39/38/03/176393803.db2.gz OGZKCFNQQBAPOJ-AWEZNQCLSA-N 1 1 284.363 1.822 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(F)cc1F ZINC000072397601 176394678 /nfs/dbraw/zinc/39/46/78/176394678.db2.gz VJVHQBVGMRIQIJ-LEWSCRJBSA-N 1 1 282.334 1.604 40 0 CDABMO NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000225775466 295047418 /nfs/dbraw/zinc/04/74/18/295047418.db2.gz KRVJKVNDFQCRJG-QMMMGPOBSA-N 1 1 250.264 1.526 40 0 CDABMO NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000225775466 295047423 /nfs/dbraw/zinc/04/74/23/295047423.db2.gz KRVJKVNDFQCRJG-QMMMGPOBSA-N 1 1 250.264 1.526 40 0 CDABMO CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001682904 482358985 /nfs/dbraw/zinc/35/89/85/482358985.db2.gz UHQFQSLVYHDGKB-ZNMIVQPWSA-N 1 1 254.418 1.811 40 0 CDABMO CCN(CC)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001682904 482358989 /nfs/dbraw/zinc/35/89/89/482358989.db2.gz UHQFQSLVYHDGKB-ZNMIVQPWSA-N 1 1 254.418 1.811 40 0 CDABMO CCN(CC)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001682904 482358993 /nfs/dbraw/zinc/35/89/93/482358993.db2.gz UHQFQSLVYHDGKB-ZNMIVQPWSA-N 1 1 254.418 1.811 40 0 CDABMO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCN1CCCC1)OCO2 ZINC000061030851 1167384665 /nfs/dbraw/zinc/38/46/65/1167384665.db2.gz RSNXJBMMFWCYJR-UHFFFAOYSA-N 1 1 293.323 1.509 40 0 CDABMO CCOc1ccc([C@H]([NH3+])c2nnc(C)[nH]2)cc1OCC ZINC000095534498 185006520 /nfs/dbraw/zinc/00/65/20/185006520.db2.gz QRSOISCMKRBDDS-ZDUSSCGKSA-N 1 1 276.340 1.959 40 0 CDABMO CC(C)NC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccco1)C2 ZINC000096038671 185069684 /nfs/dbraw/zinc/06/96/84/185069684.db2.gz OTMOULVVXJTKGW-GDBMZVCRSA-N 1 1 292.379 1.785 40 0 CDABMO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2cnn(C)c2)C1 ZINC000096059211 185079492 /nfs/dbraw/zinc/07/94/92/185079492.db2.gz YIZGZISBVNGEKX-AWEZNQCLSA-N 1 1 289.383 1.285 40 0 CDABMO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2cnn(C)c2)C1 ZINC000096059211 185079493 /nfs/dbraw/zinc/07/94/93/185079493.db2.gz YIZGZISBVNGEKX-AWEZNQCLSA-N 1 1 289.383 1.285 40 0 CDABMO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1CC1CC1 ZINC000096060571 185080705 /nfs/dbraw/zinc/08/07/05/185080705.db2.gz ZRJWAHRMVLYISE-AWEZNQCLSA-N 1 1 276.384 1.644 40 0 CDABMO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1CC1CC1 ZINC000096060571 185080707 /nfs/dbraw/zinc/08/07/07/185080707.db2.gz ZRJWAHRMVLYISE-AWEZNQCLSA-N 1 1 276.384 1.644 40 0 CDABMO Cn1cc(C[C@H]2[C@H](O)CC[N@H+]2Cc2ccoc2)cn1 ZINC000096061612 185082475 /nfs/dbraw/zinc/08/24/75/185082475.db2.gz SXCSTYATROYLEE-UONOGXRCSA-N 1 1 261.325 1.191 40 0 CDABMO Cn1cc(C[C@H]2[C@H](O)CC[N@@H+]2Cc2nccs2)cn1 ZINC000096061615 185083104 /nfs/dbraw/zinc/08/31/04/185083104.db2.gz KJNHEUKVRWLQRF-NWDGAFQWSA-N 1 1 278.381 1.055 40 0 CDABMO Cn1cc(C[C@H]2[C@H](O)CC[N@H+]2Cc2nccs2)cn1 ZINC000096061615 185083106 /nfs/dbraw/zinc/08/31/06/185083106.db2.gz KJNHEUKVRWLQRF-NWDGAFQWSA-N 1 1 278.381 1.055 40 0 CDABMO C=CC(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096063646 185084243 /nfs/dbraw/zinc/08/42/43/185084243.db2.gz RTQLMTHPSBNXLX-OKILXGFUSA-N 1 1 257.337 1.158 40 0 CDABMO C[NH+](C)Cc1[nH]nc2c1CCN(C(=O)C1CC=CC1)C2 ZINC000096084096 185091836 /nfs/dbraw/zinc/09/18/36/185091836.db2.gz YCLQTJJJCRLBDP-UHFFFAOYSA-N 1 1 274.368 1.322 40 0 CDABMO CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3C)CC2)cn1 ZINC000585100089 342211806 /nfs/dbraw/zinc/21/18/06/342211806.db2.gz FLDFSLNANWYHJE-MRXNPFEDSA-N 1 1 290.411 1.880 40 0 CDABMO Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1 ZINC000585103742 342212485 /nfs/dbraw/zinc/21/24/85/342212485.db2.gz FRRIFZSIHZZOKI-QGZVFWFLSA-N 1 1 288.391 1.676 40 0 CDABMO Cc1ccccc1C[N@@H+]1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC000585104381 342212955 /nfs/dbraw/zinc/21/29/55/342212955.db2.gz LNPXPFJIIOKYOC-KRWDZBQOSA-N 1 1 288.391 1.676 40 0 CDABMO Cc1n[nH]cc1-c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000585180215 342232588 /nfs/dbraw/zinc/23/25/88/342232588.db2.gz FZARQOQNABVXTP-NSHDSACASA-N 1 1 257.341 1.984 40 0 CDABMO Cc1nc(-c2nccn2C)cc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000585178843 342232711 /nfs/dbraw/zinc/23/27/11/342232711.db2.gz OAGPRNUHIACEME-GFCCVEGCSA-N 1 1 271.368 1.995 40 0 CDABMO COC[C@@]1(CC(N)=O)CCC[N@H+]1Cc1ccccc1F ZINC000585275249 342256089 /nfs/dbraw/zinc/25/60/89/342256089.db2.gz BBKQCCGVJZUCJX-HNNXBMFYSA-N 1 1 280.343 1.682 40 0 CDABMO Cc1ncnc2c1CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096058590 282225330 /nfs/dbraw/zinc/22/53/30/282225330.db2.gz CCPOGFYQIDJVNA-UHFFFAOYSA-N 1 1 257.341 1.119 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3c2cccnc2)cn1 ZINC000248141162 362154505 /nfs/dbraw/zinc/15/45/05/362154505.db2.gz QDPYELNYEWRDNG-HUUCEWRRSA-N 1 1 297.362 1.195 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3c2cccnc2)cn1 ZINC000248141162 362154506 /nfs/dbraw/zinc/15/45/06/362154506.db2.gz QDPYELNYEWRDNG-HUUCEWRRSA-N 1 1 297.362 1.195 40 0 CDABMO Cn1ccnc1C[N@H+](C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257201172 362576278 /nfs/dbraw/zinc/57/62/78/362576278.db2.gz AGPOKCZIXRGJII-AWEZNQCLSA-N 1 1 285.395 1.916 40 0 CDABMO Cn1ccnc1C[N@@H+](C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257201172 362576286 /nfs/dbraw/zinc/57/62/86/362576286.db2.gz AGPOKCZIXRGJII-AWEZNQCLSA-N 1 1 285.395 1.916 40 0 CDABMO CCc1c(C)nn2cn[n+](Cc3ccc(C)cc3)c2c1O ZINC000408731144 356135316 /nfs/dbraw/zinc/13/53/16/356135316.db2.gz XYVLGXGUAMGCCG-UHFFFAOYSA-O 1 1 283.355 1.538 40 0 CDABMO CCOC(=O)C[C@@H](c1ccccc1)[C@H]([NH3+])C(=O)OCC ZINC000019203269 356476568 /nfs/dbraw/zinc/47/65/68/356476568.db2.gz BZCRUBBKJPOKBI-JSGCOSHPSA-N 1 1 279.336 1.614 40 0 CDABMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000056513721 357344298 /nfs/dbraw/zinc/34/42/98/357344298.db2.gz KPAUBBHJUPFJJV-LLVKDONJSA-N 1 1 258.362 1.358 40 0 CDABMO CC(C)[N@H+]1CCC[C@@H](c2cnc(N3CCOCC3)cn2)C1 ZINC000072364848 357830818 /nfs/dbraw/zinc/83/08/18/357830818.db2.gz VPTIORFCROQAMX-CQSZACIVSA-N 1 1 290.411 1.901 40 0 CDABMO Cc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ncn1 ZINC000072385523 357831902 /nfs/dbraw/zinc/83/19/02/357831902.db2.gz AEUDVQBTDBRCKF-ZDUSSCGKSA-N 1 1 271.368 1.978 40 0 CDABMO CCN(C(=O)CN)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404201 358068751 /nfs/dbraw/zinc/06/87/51/358068751.db2.gz CBZPZNLXYFLTGC-OAHLLOKOSA-N 1 1 275.396 1.458 40 0 CDABMO CCN(C(=O)CN)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404201 358068755 /nfs/dbraw/zinc/06/87/55/358068755.db2.gz CBZPZNLXYFLTGC-OAHLLOKOSA-N 1 1 275.396 1.458 40 0 CDABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(Cc1ccoc1)C2 ZINC000096217497 358722493 /nfs/dbraw/zinc/72/24/93/358722493.db2.gz SXCFCILYNLSBCV-HUUCEWRRSA-N 1 1 264.369 1.680 40 0 CDABMO C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cccnc3)C2)C1 ZINC000096228720 358724027 /nfs/dbraw/zinc/72/40/27/358724027.db2.gz XNKMCPGOWJARBL-MRXNPFEDSA-N 1 1 289.379 1.266 40 0 CDABMO CCOC[C@@H]1Cn2nccc2C[N@@H+](C[C@H]2CCOC2)C1 ZINC000107210545 359017598 /nfs/dbraw/zinc/01/75/98/359017598.db2.gz ZJXQTGUVMVTQJR-KGLIPLIRSA-N 1 1 279.384 1.388 40 0 CDABMO CCC[N@@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514289875 360122369 /nfs/dbraw/zinc/12/23/69/360122369.db2.gz PPWBJRKLBIJTLZ-OCCSQVGLSA-N 1 1 260.337 1.614 40 0 biogenic,in-vitro CDABMO COC[C@@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000079091157 374767812 /nfs/dbraw/zinc/76/78/12/374767812.db2.gz BNLVDURUHZTMIY-SECBINFHSA-N 1 1 268.279 1.023 40 0 CDABMO COC[C@@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000079091157 374767821 /nfs/dbraw/zinc/76/78/21/374767821.db2.gz BNLVDURUHZTMIY-SECBINFHSA-N 1 1 268.279 1.023 40 0 CDABMO Cc1[nH+]cn(CCS(=O)(=O)c2ccccc2)c1C ZINC000079090716 374768344 /nfs/dbraw/zinc/76/83/44/374768344.db2.gz FFBWEGQARIDNMW-UHFFFAOYSA-N 1 1 264.350 1.974 40 0 CDABMO COc1ncccc1C[N@H+]1C[C@@H]2COC[C@H](N(C)C)[C@@H]2C1 ZINC000306130250 374967966 /nfs/dbraw/zinc/96/79/66/374967966.db2.gz JACAXMPXWSZBJH-KFWWJZLASA-N 1 1 291.395 1.099 40 0 CDABMO CO[C@H]1CC[N@H+](Cc2cnccn2)C[C@@]12CCCO2 ZINC000257207991 190012149 /nfs/dbraw/zinc/01/21/49/190012149.db2.gz BKEXFUKCECZFSK-KBPBESRZSA-N 1 1 263.341 1.247 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2cnccn2)C[C@@]12CCCO2 ZINC000257207991 190012150 /nfs/dbraw/zinc/01/21/50/190012150.db2.gz BKEXFUKCECZFSK-KBPBESRZSA-N 1 1 263.341 1.247 40 0 CDABMO c1cn2c(n1)nccc2[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000257235633 190016978 /nfs/dbraw/zinc/01/69/78/190016978.db2.gz GYSHTNMKYFQZLH-LBPRGKRZSA-N 1 1 272.352 1.698 40 0 CDABMO Cc1cncc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257235103 190017192 /nfs/dbraw/zinc/01/71/92/190017192.db2.gz GWLFRIYDCLFRFI-GJZGRUSLSA-N 1 1 262.353 1.506 40 0 CDABMO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257239895 190017675 /nfs/dbraw/zinc/01/76/75/190017675.db2.gz HRHCLDOUXBYMMZ-GFCCVEGCSA-N 1 1 288.399 1.492 40 0 CDABMO CN(C)Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cncnc3)C2)n1 ZINC000257247088 190019681 /nfs/dbraw/zinc/01/96/81/190019681.db2.gz IXJKZUIYHREEDN-ZDUSSCGKSA-N 1 1 286.383 1.251 40 0 CDABMO Cc1n[nH]cc1CN1CCO[C@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257248006 190019810 /nfs/dbraw/zinc/01/98/10/190019810.db2.gz JBQLJIMODBEZRM-HNNXBMFYSA-N 1 1 287.367 1.577 40 0 CDABMO CC[N@@H+](CCO)Cc1ccnc([C@H]2CCCOC2)n1 ZINC000257268319 190023821 /nfs/dbraw/zinc/02/38/21/190023821.db2.gz MLDBJWYUFGVONA-LBPRGKRZSA-N 1 1 265.357 1.185 40 0 CDABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000257263621 190022368 /nfs/dbraw/zinc/02/23/68/190022368.db2.gz LQTVUADTJBJVMC-CYBMUJFWSA-N 1 1 279.384 1.439 40 0 CDABMO C[N@H+]1CCN(Cc2ncc[nH]2)C[C@@H]1c1ccccc1 ZINC000257299166 190029823 /nfs/dbraw/zinc/02/98/23/190029823.db2.gz ROZDFTDOJQTONL-CQSZACIVSA-N 1 1 256.353 1.898 40 0 CDABMO CO[C@H]1CC[N@H+](Cc2nccs2)C[C@@]12CCCO2 ZINC000257306361 190030878 /nfs/dbraw/zinc/03/08/78/190030878.db2.gz STZOXMQHYROIAR-AAEUAGOBSA-N 1 1 268.382 1.913 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2nccs2)C[C@@]12CCCO2 ZINC000257306361 190030879 /nfs/dbraw/zinc/03/08/79/190030879.db2.gz STZOXMQHYROIAR-AAEUAGOBSA-N 1 1 268.382 1.913 40 0 CDABMO C[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216297 390621145 /nfs/dbraw/zinc/62/11/45/390621145.db2.gz FAKRETLRIRAJQW-AWEZNQCLSA-N 1 1 260.385 1.648 40 0 CDABMO Cc1[nH+]c(NN)c2ncccc2c1Br ZINC000095095632 390910430 /nfs/dbraw/zinc/91/04/30/390910430.db2.gz UBKQSIKSVCJWKH-UHFFFAOYSA-N 1 1 253.103 1.986 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000009134639 170364285 /nfs/dbraw/zinc/36/42/85/170364285.db2.gz KHFLSNNMAMMUNJ-UHFFFAOYSA-N 1 1 257.337 1.946 40 0 CDABMO CCOC(=O)[C@@H]([NH3+])Cc1c[nH]c2cc(F)ccc12 ZINC000044340651 175163949 /nfs/dbraw/zinc/16/39/49/175163949.db2.gz RAFFVWBYBSGEKK-NSHDSACASA-N 1 1 250.273 1.740 40 0 CDABMO COc1ccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)cc1 ZINC000072397636 176395016 /nfs/dbraw/zinc/39/50/16/176395016.db2.gz VXPYDZKZWJSQAM-BPLDGKMQSA-N 1 1 276.380 1.335 40 0 CDABMO COC(=O)[C@@H]1C[C@]2(c3ccccc3NC2=O)[N@H+]2CCC[C@@H]12 ZINC000216298064 262154458 /nfs/dbraw/zinc/15/44/58/262154458.db2.gz GILNPVJKDQWNGY-AKWBHNSASA-N 1 1 286.331 1.491 40 0 CDABMO CCOc1ccc(CN(C)C[C@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000046087349 423940496 /nfs/dbraw/zinc/94/04/96/423940496.db2.gz HLSNXKOXUGZJHR-KRWDZBQOSA-N 1 1 292.423 1.974 40 0 CDABMO CCOc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C)C2)cc1 ZINC000046087349 423940509 /nfs/dbraw/zinc/94/05/09/423940509.db2.gz HLSNXKOXUGZJHR-KRWDZBQOSA-N 1 1 292.423 1.974 40 0 CDABMO CCOc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C)C2)cc1 ZINC000046087349 423940522 /nfs/dbraw/zinc/94/05/22/423940522.db2.gz HLSNXKOXUGZJHR-KRWDZBQOSA-N 1 1 292.423 1.974 40 0 CDABMO C[C@@H]1OC(=O)[C@H]2[C@@H]1[N@H+]1CCc3ccccc3[C@@H]1C[C@@H]2O ZINC000020111855 279038951 /nfs/dbraw/zinc/03/89/51/279038951.db2.gz MPEJFJFZVUSBET-JLGPQHSXSA-N 1 1 273.332 1.281 40 0 CDABMO CC(C)C[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000019446777 279196719 /nfs/dbraw/zinc/19/67/19/279196719.db2.gz UMQSJYGTASTFRM-CYBMUJFWSA-N 1 1 294.447 1.763 40 0 CDABMO O=C([C@H]1C[C@@H]2CC[N@H+](C3CCC3)C[C@H]2O1)N1CCCCO1 ZINC000096042877 280149650 /nfs/dbraw/zinc/14/96/50/280149650.db2.gz BPTZUHJURJYKCF-NWANDNLSSA-N 1 1 294.395 1.572 40 0 CDABMO Cc1cnn(-c2ccc(C)cc2NC(=O)C[NH+](C)C)c1 ZINC000131764587 323210999 /nfs/dbraw/zinc/21/09/99/323210999.db2.gz UJILAZTWHJWYQV-UHFFFAOYSA-N 1 1 272.352 1.989 40 0 CDABMO CNC(=O)[C@H]1C[N@H+](C(C)C)CCN1Cc1ccccc1 ZINC000248037643 334293814 /nfs/dbraw/zinc/29/38/14/334293814.db2.gz ZLGDQZYGPPOKDH-OAHLLOKOSA-N 1 1 275.396 1.327 40 0 CDABMO COC(=O)c1ccccc1NC(=O)C[NH+]1CCCC1 ZINC000007786195 534292347 /nfs/dbraw/zinc/29/23/47/534292347.db2.gz KZTBLRZKPJIPQG-UHFFFAOYSA-N 1 1 262.309 1.508 40 0 CDABMO COc1cccc(C(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000022829324 525816872 /nfs/dbraw/zinc/81/68/72/525816872.db2.gz GWNLDSCPSDEBFD-UHFFFAOYSA-N 1 1 291.395 1.063 40 0 CDABMO C[N@H+]1C[C@@H](C(=O)NCC(F)F)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595922 1159318514 /nfs/dbraw/zinc/31/85/14/1159318514.db2.gz SNZZPEFAEMCTST-SUNKGSAMSA-N 1 1 296.317 1.679 40 0 CDABMO C[N@H+]1C[C@@H](C(=O)N2CCC2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595769 1159318939 /nfs/dbraw/zinc/31/89/39/1159318939.db2.gz LTTXIDZRWBCFHM-IPYPFGDCSA-N 1 1 272.348 1.530 40 0 CDABMO CC[NH+]1CCN(Cc2cc(F)ccc2C=O)CC1 ZINC000095738681 185023570 /nfs/dbraw/zinc/02/35/70/185023570.db2.gz LAHPAIOYWJRDRD-UHFFFAOYSA-N 1 1 250.317 1.776 40 0 CDABMO COCC[N@H+]1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041374 185069368 /nfs/dbraw/zinc/06/93/68/185069368.db2.gz KQIHHUURAFJDGW-JYJNAYRXSA-N 1 1 292.379 1.476 40 0 CDABMO C[NH+](C)CCN1CCO[C@H]2CN(Cc3cccs3)C[C@H]21 ZINC000096054294 185075704 /nfs/dbraw/zinc/07/57/04/185075704.db2.gz XYJDMCLLCOKZOP-CABCVRRESA-N 1 1 295.452 1.195 40 0 CDABMO C[NH+](C)C[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000096056655 185078015 /nfs/dbraw/zinc/07/80/15/185078015.db2.gz JUGHDZNUQGHSHW-BMFZPTHFSA-N 1 1 278.371 1.977 40 0 CDABMO Cn1nc(Cn2cccc2)c2c1C[N@H+](C1CCOCC1)C2 ZINC000096084478 185091996 /nfs/dbraw/zinc/09/19/96/185091996.db2.gz MZTWCCBMMDHXLV-UHFFFAOYSA-N 1 1 286.379 1.765 40 0 CDABMO COC[C@]12COC[C@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096108621 185099399 /nfs/dbraw/zinc/09/93/99/185099399.db2.gz FIRPUDSVIFFFDP-UKRRQHHQSA-N 1 1 265.328 1.921 40 0 CDABMO CCOC[C@]12COC[C@H]1C[N@H+](Cc1csc(C)n1)C2 ZINC000096108662 185100418 /nfs/dbraw/zinc/10/04/18/185100418.db2.gz UOQBYVZOXZLQDI-TZMCWYRMSA-N 1 1 282.409 1.936 40 0 CDABMO CCOC[C@]12COC[C@H]1C[N@@H+](Cc1csc(C)n1)C2 ZINC000096108662 185100419 /nfs/dbraw/zinc/10/04/19/185100419.db2.gz UOQBYVZOXZLQDI-TZMCWYRMSA-N 1 1 282.409 1.936 40 0 CDABMO c1csc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)n1 ZINC000096110657 185101685 /nfs/dbraw/zinc/10/16/85/185101685.db2.gz LXWQKQJTXNFQOM-TXEJJXNPSA-N 1 1 287.392 1.501 40 0 CDABMO c1csc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)n1 ZINC000096110657 185101686 /nfs/dbraw/zinc/10/16/86/185101686.db2.gz LXWQKQJTXNFQOM-TXEJJXNPSA-N 1 1 287.392 1.501 40 0 CDABMO COc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000096629229 185107803 /nfs/dbraw/zinc/10/78/03/185107803.db2.gz NMFLVZAMHIGYGU-CQSZACIVSA-N 1 1 276.380 1.696 40 0 CDABMO CO[C@@]1(COc2ccc(F)cc2)CC[N@@H+](CCO)C1 ZINC000585273925 342256039 /nfs/dbraw/zinc/25/60/39/342256039.db2.gz GSXIQXFQGODKOK-AWEZNQCLSA-N 1 1 269.316 1.288 40 0 CDABMO CO[C@@H]1Cn2nccc2C[N@@H+](CC2CCOCC2)C1 ZINC000247819566 362133735 /nfs/dbraw/zinc/13/37/35/362133735.db2.gz COVFQHDZPJTKEP-AWEZNQCLSA-N 1 1 265.357 1.140 40 0 CDABMO c1ccc(C[N@@H+]2CCOC[C@H](Cc3cnccn3)C2)nc1 ZINC000257222509 362577660 /nfs/dbraw/zinc/57/76/60/362577660.db2.gz DTOAIWQWOWPMTP-CQSZACIVSA-N 1 1 284.363 1.563 40 0 CDABMO Cc1nc(-c2nccn2C)cc([C@H]2CCC[N@H+]2C)n1 ZINC000257331337 362587107 /nfs/dbraw/zinc/58/71/07/362587107.db2.gz XSLGDMLCPZLCBU-CYBMUJFWSA-N 1 1 257.341 1.952 40 0 CDABMO CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccsc2)[C@@H]2CCO[C@@H]21 ZINC000108524679 186220463 /nfs/dbraw/zinc/22/04/63/186220463.db2.gz KSZIWVAIOSDGJR-YNEHKIRRSA-N 1 1 280.393 1.426 40 0 CDABMO C[C@H]1C[NH+](C[C@H](O)COc2ccc(F)cc2)C[C@H](C)O1 ZINC000035031478 356002771 /nfs/dbraw/zinc/00/27/71/356002771.db2.gz HMXGEDJZQXGBJE-OBJOEFQTSA-N 1 1 283.343 1.675 40 0 CDABMO OCCCn1cc(C[N@H+]2CC[C@H](CO)C2)c2ccccc21 ZINC000019376124 356484397 /nfs/dbraw/zinc/48/43/97/356484397.db2.gz GCLFNQLFYRTFHJ-AWEZNQCLSA-N 1 1 288.391 1.838 40 0 CDABMO O=C(NCCC[NH+]1CCOCC1)c1cccnc1Cl ZINC000023379340 356641662 /nfs/dbraw/zinc/64/16/62/356641662.db2.gz YLZONZBOTGMALV-UHFFFAOYSA-N 1 1 283.759 1.187 40 0 in-vivo CDABMO O=C(C[NH+]1CCCC1)Nc1ccccc1N1CCOCC1 ZINC000016445137 357514291 /nfs/dbraw/zinc/51/42/91/357514291.db2.gz HUNMPHPOOVTGCV-UHFFFAOYSA-N 1 1 289.379 1.558 40 0 CDABMO C[N@H+]1C[C@@H](CO)CC12CN(C(=O)c1cc(F)cc(F)c1)C2 ZINC000585093948 358098878 /nfs/dbraw/zinc/09/88/78/358098878.db2.gz RRDQIZTZQICJOY-JTQLQIEISA-N 1 1 296.317 1.103 40 0 CDABMO CCOC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2cnn(C)c2)O1 ZINC000096186045 358713893 /nfs/dbraw/zinc/71/38/93/358713893.db2.gz NVZAXVJMILWMPO-KKUMJFAQSA-N 1 1 279.384 1.579 40 0 CDABMO CCOC[C@H]1Cn2nccc2C[N@@H+](C[C@@H]2CCOC2)C1 ZINC000096188951 358715052 /nfs/dbraw/zinc/71/50/52/358715052.db2.gz ZJXQTGUVMVTQJR-UONOGXRCSA-N 1 1 279.384 1.388 40 0 CDABMO CNC(=O)C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2O1 ZINC000096216638 358720833 /nfs/dbraw/zinc/72/08/33/358720833.db2.gz VEPMSCMRZFMQMO-NWANDNLSSA-N 1 1 292.354 1.551 40 0 CDABMO CO[C@@H]1CO[C@]2(CC[N@@H+](Cc3cccc(C)n3)C2)C1 ZINC000096218362 358722057 /nfs/dbraw/zinc/72/20/57/358722057.db2.gz FRKPEGTYIDCTHY-LSDHHAIUSA-N 1 1 262.353 1.770 40 0 CDABMO CC(C)OCc1ncn2c1C[N@H+](CCO)CCC2 ZINC000096259999 358729917 /nfs/dbraw/zinc/72/99/17/358729917.db2.gz AQIRWGPJNGVLIX-UHFFFAOYSA-N 1 1 253.346 1.006 40 0 CDABMO CC(C)OCc1ncn2c1C[N@@H+](CCO)CCC2 ZINC000096259999 358729923 /nfs/dbraw/zinc/72/99/23/358729923.db2.gz AQIRWGPJNGVLIX-UHFFFAOYSA-N 1 1 253.346 1.006 40 0 CDABMO CCN(CC)C(=O)[C@@H]1CCCCN1c1[nH+]cccc1N ZINC000095097836 366522337 /nfs/dbraw/zinc/52/23/37/366522337.db2.gz RHWOZSWSTRVCKI-ZDUSSCGKSA-N 1 1 276.384 1.891 40 0 CDABMO C[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000031720549 359646626 /nfs/dbraw/zinc/64/66/26/359646626.db2.gz WBNHPABRPNXDCI-UHFFFAOYSA-N 1 1 257.337 1.484 40 0 CDABMO C[NH+]1CCN(c2ccc(-n3cnnc3)cc2Cl)CC1 ZINC000057332393 360143087 /nfs/dbraw/zinc/14/30/87/360143087.db2.gz KJBGEMCIENSGIB-UHFFFAOYSA-N 1 1 277.759 1.673 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218567341 373023104 /nfs/dbraw/zinc/02/31/04/373023104.db2.gz MZRPQOXAXMZYCU-FRRDWIJNSA-N 1 1 287.356 1.070 40 0 CDABMO C[C@@H]1[NH2+]CCn2c(COCC3CCOCC3)cnc21 ZINC000306136835 374970500 /nfs/dbraw/zinc/97/05/00/374970500.db2.gz QERFJIWDRBREHG-NSHDSACASA-N 1 1 265.357 1.491 40 0 CDABMO Cc1nc[nH]c1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257200327 190010488 /nfs/dbraw/zinc/01/04/88/190010488.db2.gz ACWNZTVATPCVSP-HUUCEWRRSA-N 1 1 273.336 1.342 40 0 CDABMO Cc1nc[nH]c1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257200327 190010489 /nfs/dbraw/zinc/01/04/89/190010489.db2.gz ACWNZTVATPCVSP-HUUCEWRRSA-N 1 1 273.336 1.342 40 0 CDABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CC1CC1 ZINC000257254644 190020953 /nfs/dbraw/zinc/02/09/53/190020953.db2.gz KEBYJSHURZVQEY-AWEZNQCLSA-N 1 1 274.364 1.968 40 0 CDABMO CN(C)C(=O)c1cc(C[C@H]2CCC[N@@H+](C)C2)ncn1 ZINC000257245324 190019635 /nfs/dbraw/zinc/01/96/35/190019635.db2.gz IOZFFGABJOVZBG-LLVKDONJSA-N 1 1 262.357 1.063 40 0 CDABMO CCc1nc(C)c(C[N@H+]2C[C@H](OC)[C@]3(CCCO3)C2)[nH]1 ZINC000257274196 190024803 /nfs/dbraw/zinc/02/48/03/190024803.db2.gz NJYFXJSXADMSIG-ZFWWWQNUSA-N 1 1 279.384 1.660 40 0 CDABMO C[N@H+]1CCC[C@@H](c2cncc(C(=O)NCC3CC3)n2)C1 ZINC000257316796 190032795 /nfs/dbraw/zinc/03/27/95/190032795.db2.gz VHAKYMNAYKSJHF-GFCCVEGCSA-N 1 1 274.368 1.426 40 0 CDABMO Cc1noc(CN[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000289322243 197296940 /nfs/dbraw/zinc/29/69/40/197296940.db2.gz CMKVOLZXDOBFJK-UKRRQHHQSA-N 1 1 272.352 1.913 40 0 CDABMO C[NH+](C)CC[C@H]1CN(CC2CCOCC2)Cc2cncn21 ZINC000248102723 391426755 /nfs/dbraw/zinc/42/67/55/391426755.db2.gz IAPFVFBXEYDYTM-HNNXBMFYSA-N 1 1 292.427 1.618 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc(C)cc1 ZINC000252516427 392798212 /nfs/dbraw/zinc/79/82/12/392798212.db2.gz SKVAXYJGDQKULE-MCIONIFRSA-N 1 1 283.393 1.239 40 0 CDABMO COc1cc(N2CCC[C@]3(CCC[N@H+]3C)C2)ncn1 ZINC000096071415 398069596 /nfs/dbraw/zinc/06/95/96/398069596.db2.gz AHIUNQXCOXSXNI-CQSZACIVSA-N 1 1 262.357 1.550 40 0 CDABMO Cc1nc(NCC2CC2)nc2c1COC[C@]21CC[N@H+](C)C1 ZINC000096080398 398070326 /nfs/dbraw/zinc/07/03/26/398070326.db2.gz NSOZOWPWPDCKQC-MRXNPFEDSA-N 1 1 288.395 1.710 40 0 CDABMO CCOc1cc(CNCCC[NH2+]C)ccc1OC ZINC000008254338 170327365 /nfs/dbraw/zinc/32/73/65/170327365.db2.gz GMMNPQGGZDOEKQ-UHFFFAOYSA-N 1 1 252.358 1.793 40 0 CDABMO Cn1ccnc1CN1CCC(Cc2[nH+]ccn2C)CC1 ZINC000072364296 176379659 /nfs/dbraw/zinc/37/96/59/176379659.db2.gz AOXMYLRPIBKAQX-UHFFFAOYSA-N 1 1 273.384 1.608 40 0 CDABMO C[N@@H+]1CCO[C@](C)(C(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000072378292 176386294 /nfs/dbraw/zinc/38/62/94/176386294.db2.gz VEVYNKYLKIIACT-INIZCTEOSA-N 1 1 289.379 1.293 40 0 CDABMO C[N@H+]1CCO[C@](C)(C(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000072378292 176386295 /nfs/dbraw/zinc/38/62/95/176386295.db2.gz VEVYNKYLKIIACT-INIZCTEOSA-N 1 1 289.379 1.293 40 0 CDABMO C[N@H+]1CCC[C@@H](n2ncc3cnc(Cl)nc32)C1 ZINC000095097371 277055260 /nfs/dbraw/zinc/05/52/60/277055260.db2.gz LCDGTXXINHMRGO-SECBINFHSA-N 1 1 251.721 1.746 40 0 CDABMO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCO)C1 ZINC000079408062 279299675 /nfs/dbraw/zinc/29/96/75/279299675.db2.gz HWCSAJUPKCFHAC-GFCCVEGCSA-N 1 1 272.389 1.699 40 0 CDABMO CC(C)Nc1ncc(C2=[NH+]O[C@](C)(C(=O)N(C)C)C2)cn1 ZINC000226084495 1161390207 /nfs/dbraw/zinc/39/02/07/1161390207.db2.gz LYWYMWVGAXUBGR-AWEZNQCLSA-N 1 1 291.355 1.268 40 0 CDABMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000930655020 711938718 /nfs/dbraw/zinc/93/87/18/711938718.db2.gz AYAYTDDZZZOOFE-LBPRGKRZSA-N 1 1 278.356 1.870 40 0 CDABMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000930655019 933424170 /nfs/dbraw/zinc/42/41/70/933424170.db2.gz AYAYTDDZZZOOFE-GFCCVEGCSA-N 1 1 278.356 1.870 40 0 CDABMO [NH3+][C@H](c1nc(Cn2cccn2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533983 185007353 /nfs/dbraw/zinc/00/73/53/185007353.db2.gz OPGRSSIDJJUONS-LBPRGKRZSA-N 1 1 288.742 1.751 40 0 CDABMO C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC000096040861 185069091 /nfs/dbraw/zinc/06/90/91/185069091.db2.gz OBJFLJMGGWYFGE-BZPMIXESSA-N 1 1 278.352 1.110 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107940 185100108 /nfs/dbraw/zinc/10/01/08/185100108.db2.gz RLRZHRUMALZIEB-MAUKXSAKSA-N 1 1 297.402 1.997 40 0 CDABMO CN1CCO[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107940 185100110 /nfs/dbraw/zinc/10/01/10/185100110.db2.gz RLRZHRUMALZIEB-MAUKXSAKSA-N 1 1 297.402 1.997 40 0 CDABMO CN1CCO[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107940 185100113 /nfs/dbraw/zinc/10/01/13/185100113.db2.gz RLRZHRUMALZIEB-MAUKXSAKSA-N 1 1 297.402 1.997 40 0 CDABMO O=C(CC1CC1)NC[C@]12COC[C@H]1C[N@H+](C1CCCC1)C2 ZINC000096110966 185101075 /nfs/dbraw/zinc/10/10/75/185101075.db2.gz MOCBUXYAVFFNCU-PBHICJAKSA-N 1 1 292.423 1.794 40 0 CDABMO CCC(CC)C(=O)N1CC[C@]2(CC[N@H+]2CCOC)C1 ZINC000096075963 282149355 /nfs/dbraw/zinc/14/93/55/282149355.db2.gz SYDFNILOEUIRQG-HNNXBMFYSA-N 1 1 268.401 1.746 40 0 CDABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)N3CCCC3)C2)C1 ZINC000585103050 342212655 /nfs/dbraw/zinc/21/26/55/342212655.db2.gz ONSQJUZVBCNTRW-AWEZNQCLSA-N 1 1 295.427 1.635 40 0 CDABMO CO[C@H]1CCC[N@H+](Cc2cc[nH]n2)[C@H]1CCC(=O)N(C)C ZINC000585276369 342256241 /nfs/dbraw/zinc/25/62/41/342256241.db2.gz NMFWFXMRJKKYMW-KBPBESRZSA-N 1 1 294.399 1.258 40 0 CDABMO CO[C@H]1CCC[N@@H+](Cc2cc[nH]n2)[C@H]1CCC(=O)N(C)C ZINC000585276369 342256242 /nfs/dbraw/zinc/25/62/42/342256242.db2.gz NMFWFXMRJKKYMW-KBPBESRZSA-N 1 1 294.399 1.258 40 0 CDABMO CC[N@H+]1C[C@H]2C[C@@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000249685652 362218856 /nfs/dbraw/zinc/21/88/56/362218856.db2.gz FZLPDGULWQAWHH-JHJVBQTASA-N 1 1 261.325 1.129 40 0 CDABMO O=C(C[NH2+]CC(=O)NC1CCCCC1)NC1CCCCC1 ZINC000255190755 362494018 /nfs/dbraw/zinc/49/40/18/362494018.db2.gz ZFTIZSIEDPLBII-UHFFFAOYSA-N 1 1 295.427 1.474 40 0 CDABMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000019527287 356490670 /nfs/dbraw/zinc/49/06/70/356490670.db2.gz INMVWTHYUPKDFG-NSHDSACASA-N 1 1 276.384 1.503 40 0 CDABMO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000019527287 356490673 /nfs/dbraw/zinc/49/06/73/356490673.db2.gz INMVWTHYUPKDFG-NSHDSACASA-N 1 1 276.384 1.503 40 0 CDABMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000019527287 356490676 /nfs/dbraw/zinc/49/06/76/356490676.db2.gz INMVWTHYUPKDFG-NSHDSACASA-N 1 1 276.384 1.503 40 0 CDABMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC000019527288 356490847 /nfs/dbraw/zinc/49/08/47/356490847.db2.gz CHGXFUTUWXSWOM-GFCCVEGCSA-N 1 1 276.384 1.891 40 0 CDABMO CN(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404140 356990001 /nfs/dbraw/zinc/99/00/01/356990001.db2.gz QHFGUARBQAPOPI-CQSZACIVSA-N 1 1 261.369 1.068 40 0 CDABMO CN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)CN ZINC000079404140 356990004 /nfs/dbraw/zinc/99/00/04/356990004.db2.gz QHFGUARBQAPOPI-CQSZACIVSA-N 1 1 261.369 1.068 40 0 CDABMO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCO)C1 ZINC000079414253 356993595 /nfs/dbraw/zinc/99/35/95/356993595.db2.gz RWTSLPHCOFWTFX-MRXNPFEDSA-N 1 1 262.397 1.964 40 0 CDABMO CNc1nccnc1[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000072364348 357830902 /nfs/dbraw/zinc/83/09/02/357830902.db2.gz TWNURECLJDDFOV-LBPRGKRZSA-N 1 1 262.357 1.834 40 0 CDABMO Cc1cc(N2CCOCC2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072364844 357830913 /nfs/dbraw/zinc/83/09/13/357830913.db2.gz FAUZZLBCIIJCFN-CYBMUJFWSA-N 1 1 276.384 1.431 40 0 CDABMO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC000096157656 358710245 /nfs/dbraw/zinc/71/02/45/358710245.db2.gz HEJRVRVDYDJYGP-UHFFFAOYSA-N 1 1 288.395 1.813 40 0 CDABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc[nH]1 ZINC000096184292 358713871 /nfs/dbraw/zinc/71/38/71/358713871.db2.gz ZESJHYZAYBGDEX-UONOGXRCSA-N 1 1 261.369 1.960 40 0 CDABMO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1 ZINC000096184484 358714025 /nfs/dbraw/zinc/71/40/25/358714025.db2.gz RDNXXGZPRAESEZ-KGLIPLIRSA-N 1 1 280.393 1.295 40 0 CDABMO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@H+]2CCc1ccccc1 ZINC000096184511 358714276 /nfs/dbraw/zinc/71/42/76/358714276.db2.gz GCXHHOZWPAPRQG-CABCVRRESA-N 1 1 294.420 1.337 40 0 CDABMO C[N@H+]1CC[C@@]2(C1)COCCN(C(=O)Cc1cccs1)C2 ZINC000096201946 358719471 /nfs/dbraw/zinc/71/94/71/358719471.db2.gz ASLODNBODIZTSV-HNNXBMFYSA-N 1 1 294.420 1.471 40 0 CDABMO FCC[N@@H+]1CC[C@]2(C1)CCCN(c1nncs1)C2 ZINC000096217212 358721412 /nfs/dbraw/zinc/72/14/12/358721412.db2.gz YFBPMUWSVSIPHU-LBPRGKRZSA-N 1 1 270.377 1.800 40 0 CDABMO FCC[N@H+]1CC[C@]2(C1)CCCN(c1nncs1)C2 ZINC000096217212 358721415 /nfs/dbraw/zinc/72/14/15/358721415.db2.gz YFBPMUWSVSIPHU-LBPRGKRZSA-N 1 1 270.377 1.800 40 0 CDABMO c1ccc(OCc2nnc3n2CC[N@H+](CC2CC2)CC3)nc1 ZINC000096259200 358729005 /nfs/dbraw/zinc/72/90/05/358729005.db2.gz PHENBLIUJNVFMQ-UHFFFAOYSA-N 1 1 299.378 1.520 40 0 CDABMO COc1cc2c(cc1C[NH+]1CCC(O)CC1)OCO2 ZINC000013568206 366478784 /nfs/dbraw/zinc/47/87/84/366478784.db2.gz NMAIPGSRKMLMKP-UHFFFAOYSA-N 1 1 265.309 1.381 40 0 CDABMO O=C([C@@H]1CCO[C@@H]2CC[N@H+](C3CCC3)C[C@H]21)N1CCCO1 ZINC000096043398 296039039 /nfs/dbraw/zinc/03/90/39/296039039.db2.gz FJVHLBKZBMQWRM-QLFBSQMISA-N 1 1 294.395 1.430 40 0 CDABMO CCCc1nnc([C@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000049170317 373982174 /nfs/dbraw/zinc/98/21/74/373982174.db2.gz QJKPEHBKWYVQAZ-LBPRGKRZSA-N 1 1 278.400 1.906 40 0 biogenic,in-vitro CDABMO CCCc1nnc([C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000049170317 373982175 /nfs/dbraw/zinc/98/21/75/373982175.db2.gz QJKPEHBKWYVQAZ-LBPRGKRZSA-N 1 1 278.400 1.906 40 0 biogenic,in-vitro CDABMO C[C@@H](Cc1ccccc1)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000132263920 375430024 /nfs/dbraw/zinc/43/00/24/375430024.db2.gz AWVJPKFHLGAVTO-JSGCOSHPSA-N 1 1 262.353 1.051 40 0 CDABMO COC(C)(C)C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2C ZINC000257218173 190014096 /nfs/dbraw/zinc/01/40/96/190014096.db2.gz DCDKPWZPKKIKQJ-JFILPPLUSA-N 1 1 280.412 1.885 40 0 CDABMO CNc1cc([C@@H]2CCCN2C(=O)Cn2cc[nH+]c2C)ccn1 ZINC000257223339 190014591 /nfs/dbraw/zinc/01/45/91/190014591.db2.gz DWXKVEVURSYUJE-AWEZNQCLSA-N 1 1 299.378 1.992 40 0 CDABMO CNC(=O)c1cc(C[C@@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000257247380 190019208 /nfs/dbraw/zinc/01/92/08/190019208.db2.gz IYTRDNOHYJSUFS-NSHDSACASA-N 1 1 262.357 1.029 40 0 CDABMO Cc1ccnc([C@@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257266618 190023162 /nfs/dbraw/zinc/02/31/62/190023162.db2.gz MDSSHVGJYIIBEI-CQSZACIVSA-N 1 1 298.394 1.631 40 0 CDABMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)NC(N)=O ZINC000048580989 391478535 /nfs/dbraw/zinc/47/85/35/391478535.db2.gz NRUNZICSOXYPCE-VIFPVBQESA-N 1 1 283.759 1.918 40 0 CDABMO CCN(CC)CC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062718441 392804475 /nfs/dbraw/zinc/80/44/75/392804475.db2.gz HACYRKXVLHIYLY-UHFFFAOYSA-N 1 1 265.405 1.728 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc(N)cc2Cl)CC1 ZINC000008732487 170351538 /nfs/dbraw/zinc/35/15/38/170351538.db2.gz SMHUVDSCYMEJOA-UHFFFAOYSA-N 1 1 267.760 1.700 40 0 CDABMO COC(=O)c1ccccc1OCCC[NH+]1CCN(C)CC1 ZINC000019360085 170776827 /nfs/dbraw/zinc/77/68/27/170776827.db2.gz SRXIICZWAHSHOR-UHFFFAOYSA-N 1 1 292.379 1.490 40 0 CDABMO C[NH+](C)CCNCC(=O)N[C@]1(C)[C@H]2CC[C@H](C2)C1(C)C ZINC000022587058 171392892 /nfs/dbraw/zinc/39/28/92/171392892.db2.gz DIHCJCFCGAWNMT-DVOMOZLQSA-N 1 1 281.444 1.469 40 0 CDABMO O=C(C[NH2+]Cc1ccco1)NCc1ccc2c(c1)OCO2 ZINC000035311511 172122067 /nfs/dbraw/zinc/12/20/67/172122067.db2.gz FAAJDXOKYZOAAV-UHFFFAOYSA-N 1 1 288.303 1.414 40 0 CDABMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358297 176376102 /nfs/dbraw/zinc/37/61/02/176376102.db2.gz JAAOLXJDUMLUCX-CYBMUJFWSA-N 1 1 289.379 1.363 40 0 CDABMO Cc1ccc([C@]2(O)CC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000072367985 176382771 /nfs/dbraw/zinc/38/27/71/176382771.db2.gz ODOKWTJOKSCPHS-INIZCTEOSA-N 1 1 271.364 1.822 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072369536 176384204 /nfs/dbraw/zinc/38/42/04/176384204.db2.gz IBFLCAOMJIADEL-GFCCVEGCSA-N 1 1 273.340 1.321 40 0 CDABMO CCCNC(=O)c1cc(C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072369325 176384275 /nfs/dbraw/zinc/38/42/75/176384275.db2.gz UDGWTYGZXKYUIM-GFCCVEGCSA-N 1 1 276.384 1.734 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1CCc1ccccc1 ZINC000072397560 176394994 /nfs/dbraw/zinc/39/49/94/176394994.db2.gz XRIKRUOILXDREA-NUEKZKHPSA-N 1 1 260.381 1.368 40 0 CDABMO COc1ccc(C(=O)CN2CC[NH+](C)CC2)cc1OC ZINC000041432307 326930759 /nfs/dbraw/zinc/93/07/59/326930759.db2.gz KQCZSEDNYTVOHW-UHFFFAOYSA-N 1 1 278.352 1.134 40 0 CDABMO COc1ccccc1[C@@H]1CN(c2cnccn2)CC[N@@H+]1C ZINC000248100571 334294912 /nfs/dbraw/zinc/29/49/12/334294912.db2.gz DQSSBOLVYRDZGZ-AWEZNQCLSA-N 1 1 284.363 1.978 40 0 CDABMO COc1ccccc1[C@@H]1CN(c2cnccn2)CC[N@H+]1C ZINC000248100571 334294913 /nfs/dbraw/zinc/29/49/13/334294913.db2.gz DQSSBOLVYRDZGZ-AWEZNQCLSA-N 1 1 284.363 1.978 40 0 CDABMO CCOC(=O)C[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000259324131 1180496598 /nfs/dbraw/zinc/49/65/98/1180496598.db2.gz BYKNFCFZIWMFDF-SNVBAGLBSA-N 1 1 272.345 1.149 40 0 CDABMO Cc1nnc([C@]23COC[C@H]2C[N@H+](Cc2nccs2)C3)o1 ZINC000096110105 185100506 /nfs/dbraw/zinc/10/05/06/185100506.db2.gz WZMJZBSSIYAVAH-ZWNOBZJWSA-N 1 1 292.364 1.235 40 0 CDABMO Cc1nnc([C@]23COC[C@H]2C[N@@H+](Cc2nccs2)C3)o1 ZINC000096110105 185100508 /nfs/dbraw/zinc/10/05/08/185100508.db2.gz WZMJZBSSIYAVAH-ZWNOBZJWSA-N 1 1 292.364 1.235 40 0 CDABMO c1cc2n(n1)CC[C@@H](COc1cnccn1)[N@H+](CC1CC1)C2 ZINC000585098166 342211734 /nfs/dbraw/zinc/21/17/34/342211734.db2.gz VLJOFWMKEWSZPS-HNNXBMFYSA-N 1 1 299.378 1.736 40 0 CDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)CC(C)C)C2)C1 ZINC000585103515 342212686 /nfs/dbraw/zinc/21/26/86/342212686.db2.gz XKCGQSMDFNEAQW-CQSZACIVSA-N 1 1 282.428 1.992 40 0 CDABMO CNC(=O)C[C@@]1(COC)CCC[N@H+]1Cc1ncccc1F ZINC000585276771 342256350 /nfs/dbraw/zinc/25/63/50/342256350.db2.gz IOWDUQKENUIWSW-OAHLLOKOSA-N 1 1 295.358 1.338 40 0 CDABMO CN(C)C(=O)C[C@]1(O)COCC[N@@H+](CC2CCCCC2)C1 ZINC000585280211 342257182 /nfs/dbraw/zinc/25/71/82/342257182.db2.gz ZYWDBIZLAQUAGI-MRXNPFEDSA-N 1 1 298.427 1.108 40 0 CDABMO CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)[C@@H]1[C@H]1CCCO1 ZINC000329856529 362073691 /nfs/dbraw/zinc/07/36/91/362073691.db2.gz UWQIHDXGDOXTNC-BFHYXJOUSA-N 1 1 279.384 1.133 40 0 CDABMO COCCN1C[C@H]2C[N@H+](Cc3ccccc3)CCN2C1=O ZINC000085436244 179062916 /nfs/dbraw/zinc/06/29/16/179062916.db2.gz LLWBACFVOINPDU-OAHLLOKOSA-N 1 1 289.379 1.255 40 0 biogenic,in-vitro CDABMO COCCN1C[C@H]2C[N@@H+](Cc3ccccc3)CCN2C1=O ZINC000085436244 179062917 /nfs/dbraw/zinc/06/29/17/179062917.db2.gz LLWBACFVOINPDU-OAHLLOKOSA-N 1 1 289.379 1.255 40 0 biogenic,in-vitro CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1F ZINC000004497874 356032437 /nfs/dbraw/zinc/03/24/37/356032437.db2.gz RVOVRCWOQVWGCP-NSHDSACASA-N 1 1 293.342 1.365 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)c1cc(-c2ccccn2)n[nH]1 ZINC000019717610 356497078 /nfs/dbraw/zinc/49/70/78/356497078.db2.gz NNPNYQQZGYUMLZ-UHFFFAOYSA-N 1 1 296.334 1.407 40 0 CDABMO CC[C@@H](OC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000034930194 356824388 /nfs/dbraw/zinc/82/43/88/356824388.db2.gz GVESYJYZESSUIU-HZPDHXFCSA-N 1 1 279.380 1.847 40 0 CDABMO CC[N@@H+](CCO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391666 356988650 /nfs/dbraw/zinc/98/86/50/356988650.db2.gz ZVVXLQXDMAQQGH-OAHLLOKOSA-N 1 1 292.379 1.712 40 0 CDABMO COc1cc(C(=O)OCCC[NH+]2CCOCC2)ccc1O ZINC000019905321 358217458 /nfs/dbraw/zinc/21/74/58/358217458.db2.gz BCXBIVANFVXRAK-UHFFFAOYSA-N 1 1 295.335 1.280 40 0 CDABMO O=C(COc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932747 358612179 /nfs/dbraw/zinc/61/21/79/358612179.db2.gz DXGYHRYOWBFUIE-ZDUSSCGKSA-N 1 1 260.337 1.372 40 0 CDABMO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]2C(=O)CCCC[C@H]21 ZINC000095951500 358704604 /nfs/dbraw/zinc/70/46/04/358704604.db2.gz SIHSXNRSSWYSFM-SDDRHHMPSA-N 1 1 253.342 1.772 40 0 CDABMO O=C1CO[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2N1CC1CC1 ZINC000096054254 358707134 /nfs/dbraw/zinc/70/71/34/358707134.db2.gz ZCXQJCCLGGLMSC-ZIAGYGMSSA-N 1 1 292.404 1.570 40 0 CDABMO O=C1CO[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1CC1CC1 ZINC000096054254 358707137 /nfs/dbraw/zinc/70/71/37/358707137.db2.gz ZCXQJCCLGGLMSC-ZIAGYGMSSA-N 1 1 292.404 1.570 40 0 CDABMO COc1ncccc1C[N@H+]1CC[C@H](O)[C@@H]1Cc1cccnc1 ZINC000096200437 358717978 /nfs/dbraw/zinc/71/79/78/358717978.db2.gz YRDPATLKJKOEKE-HOTGVXAUSA-N 1 1 299.374 1.663 40 0 CDABMO Cc1nc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2=O)cs1 ZINC000096245096 358724660 /nfs/dbraw/zinc/72/46/60/358724660.db2.gz FWZMMQPGKVTTLQ-JSGCOSHPSA-N 1 1 291.420 1.752 40 0 CDABMO CC[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncc(F)cn1 ZINC000096248859 358726599 /nfs/dbraw/zinc/72/65/99/358726599.db2.gz XGFKDQCTOILSOP-UHTWSYAYSA-N 1 1 280.347 1.304 40 0 CDABMO Cn1nc(Cn2cccn2)c2c1C[N@@H+](C1CCOCC1)C2 ZINC000096259121 358728252 /nfs/dbraw/zinc/72/82/52/358728252.db2.gz RAOFZSVQFKRHJK-UHFFFAOYSA-N 1 1 287.367 1.160 40 0 CDABMO Cn1nc(Cn2cccn2)c2c1C[N@H+](C1CCOCC1)C2 ZINC000096259121 358728254 /nfs/dbraw/zinc/72/82/54/358728254.db2.gz RAOFZSVQFKRHJK-UHFFFAOYSA-N 1 1 287.367 1.160 40 0 CDABMO CCOc1ncnc2c1CC[N@H+](Cc1nccn1C)CC2 ZINC000096255599 358728837 /nfs/dbraw/zinc/72/88/37/358728837.db2.gz LDMZRNOBTJBMCK-UHFFFAOYSA-N 1 1 287.367 1.210 40 0 CDABMO CCOc1ncnc2c1CC[N@@H+](Cc1nccn1C)CC2 ZINC000096255599 358728838 /nfs/dbraw/zinc/72/88/38/358728838.db2.gz LDMZRNOBTJBMCK-UHFFFAOYSA-N 1 1 287.367 1.210 40 0 CDABMO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CC(F)(F)C1 ZINC000238172090 360246532 /nfs/dbraw/zinc/24/65/32/360246532.db2.gz LDNUPAGBIFGSFL-MRVPVSSYSA-N 1 1 250.289 1.756 40 0 CDABMO Cc1nn(C)cc1C[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000119274461 372356017 /nfs/dbraw/zinc/35/60/17/372356017.db2.gz KTZIVKPNAYMMNR-UHFFFAOYSA-N 1 1 287.289 1.771 40 0 CDABMO CCS(=O)(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@]1([NH3+])COC ZINC000218580383 373038992 /nfs/dbraw/zinc/03/89/92/373038992.db2.gz PHUVZNWYQZQNBN-AVGNSLFASA-N 1 1 287.356 1.070 40 0 CDABMO COc1cccc(SCC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000079065128 374766311 /nfs/dbraw/zinc/76/63/11/374766311.db2.gz MAEREYDEDLJRSQ-GFCCVEGCSA-N 1 1 294.420 1.998 40 0 CDABMO Cc1cn[nH]c1[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000257203548 190011818 /nfs/dbraw/zinc/01/18/18/190011818.db2.gz AQOHHGOIULIGBR-CYBMUJFWSA-N 1 1 276.384 1.376 40 0 CDABMO Cn1nccc1C(=O)N1CCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257214510 190013337 /nfs/dbraw/zinc/01/33/37/190013337.db2.gz CMFVJXVCQUHKJO-ZFWWWQNUSA-N 1 1 276.384 1.509 40 0 CDABMO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cnc[nH]1 ZINC000257250778 190019753 /nfs/dbraw/zinc/01/97/53/190019753.db2.gz JNYXUSMPOBVMTE-AWEZNQCLSA-N 1 1 272.352 1.565 40 0 CDABMO C[N@H+]1CCCC[C@@H]2N(C(=O)c3ccncn3)CCC[C@@]21C ZINC000257272516 190024070 /nfs/dbraw/zinc/02/40/70/190024070.db2.gz NCRLPACJCXHYQH-HOCLYGCPSA-N 1 1 288.395 1.956 40 0 CDABMO CNC(=O)c1cc(C[C@@H]2CCC[N@H+](C(C)C)C2)nc(C)n1 ZINC000257273077 190025083 /nfs/dbraw/zinc/02/50/83/190025083.db2.gz NFDTVGIPQZKNLA-ZDUSSCGKSA-N 1 1 290.411 1.808 40 0 CDABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218557973 375857044 /nfs/dbraw/zinc/85/70/44/375857044.db2.gz HZUADBQIHGETLA-AVGNSLFASA-N 1 1 287.356 1.070 40 0 CDABMO C[N@H+]1CCCC[C@@H]2N(C(=O)Cn3cccn3)CCC[C@@]21C ZINC000257315085 190032908 /nfs/dbraw/zinc/03/29/08/190032908.db2.gz UZVSOIYAILVXQS-HOCLYGCPSA-N 1 1 290.411 1.749 40 0 CDABMO CO[C@H]1CC=C2CC[N@H+]3CCC4=C(CC(=O)OC4)[C@@]23C1 ZINC000053194077 376962884 /nfs/dbraw/zinc/96/28/84/376962884.db2.gz ALSKYCOJJPXPFS-XJKSGUPXSA-N 1 1 275.348 1.813 40 0 in-vitro CDABMO Cc1nn(CC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000002776606 378053646 /nfs/dbraw/zinc/05/36/46/378053646.db2.gz ZSDQQBADYBLHBK-NSHDSACASA-N 1 1 282.775 1.152 40 0 CDABMO COc1c(C)ncnc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000656118589 413034393 /nfs/dbraw/zinc/03/43/93/413034393.db2.gz NDYXILQQKBSMPH-NSHDSACASA-N 1 1 273.340 1.901 40 0 CDABMO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCOCC2)CC(C)(C)C1 ZINC000033317929 390388996 /nfs/dbraw/zinc/38/89/96/390388996.db2.gz QPTSRHWWGLKBRG-RRFJBIMHSA-N 1 1 285.428 1.911 40 0 CDABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000096526073 390540895 /nfs/dbraw/zinc/54/08/95/390540895.db2.gz FFVTWRQYJMZTKR-NXEZZACHSA-N 1 1 258.243 1.936 40 0 CDABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000072228147 390626695 /nfs/dbraw/zinc/62/66/95/390626695.db2.gz VMPLZYBGHYRCFN-HOTGVXAUSA-N 1 1 296.326 1.826 40 0 CDABMO CSc1ccc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000022585716 171392467 /nfs/dbraw/zinc/39/24/67/171392467.db2.gz WQRIGBCXUPETAJ-LBPRGKRZSA-N 1 1 293.436 1.983 40 0 CDABMO CNc1nc([C@@H]2CCC[N@@H+]2C)nc2c1CCN(C(C)=O)C2 ZINC000072376592 277305481 /nfs/dbraw/zinc/30/54/81/277305481.db2.gz CXRQILSFZCBUAJ-ZDUSSCGKSA-N 1 1 289.383 1.190 40 0 CDABMO CNc1nc([C@@H]2CCC[N@H+]2C)nc2c1CCN(C(C)=O)C2 ZINC000072376592 277305485 /nfs/dbraw/zinc/30/54/85/277305485.db2.gz CXRQILSFZCBUAJ-ZDUSSCGKSA-N 1 1 289.383 1.190 40 0 CDABMO O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1C[NH+]1CCCCC1 ZINC000058170870 280329522 /nfs/dbraw/zinc/32/95/22/280329522.db2.gz IWCIPIGHZWJGDL-RNJOBUHISA-N 1 1 260.337 1.237 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000019286443 282007263 /nfs/dbraw/zinc/00/72/63/282007263.db2.gz VIURQSZVGLIMPF-UHFFFAOYSA-N 1 1 287.338 1.818 40 0 CDABMO C[N@H+]1CCN(c2ncccn2)C[C@H]1c1ccccc1 ZINC000248143323 334296014 /nfs/dbraw/zinc/29/60/14/334296014.db2.gz QWJSLMWMTAPIHL-AWEZNQCLSA-N 1 1 254.337 1.970 40 0 CDABMO CN(C)[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040579 185068663 /nfs/dbraw/zinc/06/86/63/185068663.db2.gz GQWKLBMOEFTVAX-IMJJTQAJSA-N 1 1 275.396 1.623 40 0 CDABMO CN(C)[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040579 185068665 /nfs/dbraw/zinc/06/86/65/185068665.db2.gz GQWKLBMOEFTVAX-IMJJTQAJSA-N 1 1 275.396 1.623 40 0 CDABMO O=C1C[C@]2(CC[N@@H+](Cc3ccoc3)C2)CN1c1cncnc1 ZINC000096050823 185074706 /nfs/dbraw/zinc/07/47/06/185074706.db2.gz RMECSFACCLOEBG-INIZCTEOSA-N 1 1 298.346 1.699 40 0 CDABMO c1coc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000096054990 185076351 /nfs/dbraw/zinc/07/63/51/185076351.db2.gz ZWTCNAXGRQULHT-GDBMZVCRSA-N 1 1 276.380 1.965 40 0 CDABMO c1coc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)c1 ZINC000096056323 185077982 /nfs/dbraw/zinc/07/79/82/185077982.db2.gz SFTZSWSRVAAFLD-HRCADAONSA-N 1 1 292.379 1.344 40 0 CDABMO Cc1cccc(CN2CCC3(CC2)COCC[N@H+]3C)n1 ZINC000096074581 185088103 /nfs/dbraw/zinc/08/81/03/185088103.db2.gz UZTIOQKOZVUNOS-UHFFFAOYSA-N 1 1 275.396 1.687 40 0 CDABMO Cc1cccc(CN2CCC3(CC2)COCC[N@@H+]3C)n1 ZINC000096074581 185088104 /nfs/dbraw/zinc/08/81/04/185088104.db2.gz UZTIOQKOZVUNOS-UHFFFAOYSA-N 1 1 275.396 1.687 40 0 CDABMO CC(C)[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC000096082324 185092520 /nfs/dbraw/zinc/09/25/20/185092520.db2.gz WCXYOZKCSVMQEF-JKSUJKDBSA-N 1 1 288.391 1.868 40 0 CDABMO CO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(C)on1)C2 ZINC000096107429 185100090 /nfs/dbraw/zinc/10/00/90/185100090.db2.gz NMKMYCUYVSPSIF-KBPBESRZSA-N 1 1 266.341 1.753 40 0 CDABMO CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(C)on1)C2 ZINC000096107429 185100091 /nfs/dbraw/zinc/10/00/91/185100091.db2.gz NMKMYCUYVSPSIF-KBPBESRZSA-N 1 1 266.341 1.753 40 0 CDABMO COCc1nnc2n1CC[N@H+](CC1=CCCOC1)[C@H](C)C2 ZINC000585098478 342211945 /nfs/dbraw/zinc/21/19/45/342211945.db2.gz TZUDDKOHRJIXAA-GFCCVEGCSA-N 1 1 292.383 1.018 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccccc2Cl)[C@@H]1O ZINC000585290994 342258834 /nfs/dbraw/zinc/25/88/34/342258834.db2.gz KASOHTGXWIFSGR-MCIONIFRSA-N 1 1 285.771 1.547 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccccc2Cl)[C@@H]1O ZINC000585290994 342258835 /nfs/dbraw/zinc/25/88/35/342258835.db2.gz KASOHTGXWIFSGR-MCIONIFRSA-N 1 1 285.771 1.547 40 0 CDABMO Cc1[nH+]ccn1-c1ccc2c(c1)S(=O)(=O)N=C(Cl)N2 ZINC000095096733 282199063 /nfs/dbraw/zinc/19/90/63/282199063.db2.gz DZFCPQWBDMKEDB-UHFFFAOYSA-N 1 1 296.739 1.890 40 0 CDABMO O=C1CCCN1C[C@H]1C[N@H+](CC2CCC2)Cc2ccnn21 ZINC000248003705 362143997 /nfs/dbraw/zinc/14/39/97/362143997.db2.gz RUDHVXRLIJAOCH-OAHLLOKOSA-N 1 1 288.395 1.662 40 0 CDABMO O=C1CCCN1C[C@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000248003705 362144000 /nfs/dbraw/zinc/14/40/00/362144000.db2.gz RUDHVXRLIJAOCH-OAHLLOKOSA-N 1 1 288.395 1.662 40 0 CDABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cccn1C ZINC000257231002 362579655 /nfs/dbraw/zinc/57/96/55/362579655.db2.gz GETVBIVJPWZDEW-OAHLLOKOSA-N 1 1 299.374 1.820 40 0 CDABMO Cc1nc(-c2nccn2C)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000257331338 362587130 /nfs/dbraw/zinc/58/71/30/362587130.db2.gz XSLGDMLCPZLCBU-ZDUSSCGKSA-N 1 1 257.341 1.952 40 0 CDABMO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000107711034 186187714 /nfs/dbraw/zinc/18/77/14/186187714.db2.gz QDVIMXPIVJKTEN-GJZGRUSLSA-N 1 1 279.384 1.438 40 0 CDABMO CN(Cc1ccccc1)C[C@@H]1CCCC[N@H+]1CCO ZINC000079414135 356993810 /nfs/dbraw/zinc/99/38/10/356993810.db2.gz MLAUWXCQBWHGLM-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1CCO ZINC000079414135 356993814 /nfs/dbraw/zinc/99/38/14/356993814.db2.gz MLAUWXCQBWHGLM-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO C[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1CCO ZINC000079414135 356993818 /nfs/dbraw/zinc/99/38/18/356993818.db2.gz MLAUWXCQBWHGLM-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO CCSC[C@H](C)[N@H+](C)CC(=O)Nc1nncs1 ZINC000072904707 358745059 /nfs/dbraw/zinc/74/50/59/358745059.db2.gz XAEJVLWWFDINIO-QMMMGPOBSA-N 1 1 274.415 1.550 40 0 CDABMO CCSC[C@H](C)[N@@H+](C)CC(=O)Nc1nncs1 ZINC000072904707 358745061 /nfs/dbraw/zinc/74/50/61/358745061.db2.gz XAEJVLWWFDINIO-QMMMGPOBSA-N 1 1 274.415 1.550 40 0 CDABMO O=C([C@H]1COC[C@H]2C[N@H+](C3CCCC3)C[C@H]21)N1CCCO1 ZINC000096040815 358706447 /nfs/dbraw/zinc/70/64/47/358706447.db2.gz SAFXPLNEPVNRGZ-YUELXQCFSA-N 1 1 294.395 1.287 40 0 CDABMO CN(C)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200854 358718146 /nfs/dbraw/zinc/71/81/46/358718146.db2.gz FBMUHANHWAJSKQ-BBWFWOEESA-N 1 1 289.423 1.665 40 0 CDABMO CS(=O)(=O)N1CCC[C@]12CCC[N@H+](Cc1ccc[nH]1)C2 ZINC000096214986 358721359 /nfs/dbraw/zinc/72/13/59/358721359.db2.gz GGAWIGHLSNWSOA-AWEZNQCLSA-N 1 1 297.424 1.405 40 0 CDABMO CS(=O)(=O)N1CCC[C@]12CCC[N@@H+](Cc1ccc[nH]1)C2 ZINC000096214986 358721363 /nfs/dbraw/zinc/72/13/63/358721363.db2.gz GGAWIGHLSNWSOA-AWEZNQCLSA-N 1 1 297.424 1.405 40 0 CDABMO O=C1[C@H]2C[N@H+]([C@H]3CCOC3)C[C@H]2CN1c1ccccc1 ZINC000096245157 358724686 /nfs/dbraw/zinc/72/46/86/358724686.db2.gz MLSDZISUAMWFMN-QEJZJMRPSA-N 1 1 272.348 1.370 40 0 CDABMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1C(=O)N2C ZINC000514289685 360119831 /nfs/dbraw/zinc/11/98/31/360119831.db2.gz NMDWTGRJCSJUSJ-NEPJUHHUSA-N 1 1 261.325 1.007 40 0 biogenic,in-vitro CDABMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514288985 360125474 /nfs/dbraw/zinc/12/54/74/360125474.db2.gz DSQMSHRWTOIZRV-OCCSQVGLSA-N 1 1 260.337 1.612 40 0 biogenic,in-vitro CDABMO CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000242437535 364519734 /nfs/dbraw/zinc/51/97/34/364519734.db2.gz CEWPVKNRKQDVMT-HZPDHXFCSA-N 1 1 289.423 1.895 40 0 CDABMO C[N@H+]1CCN2[C@H](CN(C(=O)c3ccccc3)CC2(C)C)C1 ZINC000253400977 373688631 /nfs/dbraw/zinc/68/86/31/373688631.db2.gz MFDHHHAXOHNQTO-HNNXBMFYSA-N 1 1 287.407 1.537 40 0 biogenic,in-vitro CDABMO CC(C)[N@H+]1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 ZINC000306127353 374968399 /nfs/dbraw/zinc/96/83/99/374968399.db2.gz FWNSFKYRCHKCIL-LBPRGKRZSA-N 1 1 298.337 1.562 40 0 CDABMO CC(C)[N@@H+]1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 ZINC000306127353 374968401 /nfs/dbraw/zinc/96/84/01/374968401.db2.gz FWNSFKYRCHKCIL-LBPRGKRZSA-N 1 1 298.337 1.562 40 0 CDABMO CN(C)c1cccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000027932867 375162573 /nfs/dbraw/zinc/16/25/73/375162573.db2.gz ZBMPDEROBVWRCX-HNNXBMFYSA-N 1 1 273.380 1.673 40 0 CDABMO CCOc1ccccc1CN1CC[N@@H+](CCCO)[C@@H](C)C1 ZINC000225649686 375177400 /nfs/dbraw/zinc/17/74/00/375177400.db2.gz OTYLBINZFKSETJ-HNNXBMFYSA-N 1 1 292.423 1.974 40 0 CDABMO O[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1Oc1ccccc1 ZINC000257207077 190011515 /nfs/dbraw/zinc/01/15/15/190011515.db2.gz BGGCNFSPEOLJMM-ZIAGYGMSSA-N 1 1 276.361 1.767 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1Oc1ccccc1 ZINC000257207077 190011516 /nfs/dbraw/zinc/01/15/16/190011516.db2.gz BGGCNFSPEOLJMM-ZIAGYGMSSA-N 1 1 276.361 1.767 40 0 CDABMO Cc1cncc(C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000257233342 190016599 /nfs/dbraw/zinc/01/65/99/190016599.db2.gz GOWSCXNVXIPUEY-HNNXBMFYSA-N 1 1 288.395 1.585 40 0 CDABMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cnccn3)C2)n1 ZINC000257232448 190017287 /nfs/dbraw/zinc/01/72/87/190017287.db2.gz GKWWUVLDOQAGHY-GFCCVEGCSA-N 1 1 255.325 1.565 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](c2cncc(C)n2)C1 ZINC000257256657 190021977 /nfs/dbraw/zinc/02/19/77/190021977.db2.gz KMJVJVWZGKZWIO-AWEZNQCLSA-N 1 1 299.378 1.696 40 0 CDABMO CNc1cncc([C@H]2CCC[N@H+]2CC2(O)CCOCC2)n1 ZINC000257277530 190025439 /nfs/dbraw/zinc/02/54/39/190025439.db2.gz NYHNGUPWMBRFJY-CYBMUJFWSA-N 1 1 292.383 1.197 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)cn1 ZINC000257281417 190026123 /nfs/dbraw/zinc/02/61/23/190026123.db2.gz OPCGSYBIZKBSAL-LBPRGKRZSA-N 1 1 259.357 1.598 40 0 CDABMO COCC[N@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257303605 190030362 /nfs/dbraw/zinc/03/03/62/190030362.db2.gz SHXNCWAKZUEIOK-GFCCVEGCSA-N 1 1 276.340 1.608 40 0 CDABMO Cc1ncc(-c2cncc([C@@H]3CCC[N@@H+](C)C3)n2)n1C ZINC000257333735 190035713 /nfs/dbraw/zinc/03/57/13/190035713.db2.gz YCVXFMQDWLVGNP-GFCCVEGCSA-N 1 1 271.368 1.995 40 0 CDABMO COc1ccc(CC[NH2+][C@H]2CCC[C@H]2N)cc1OC ZINC000218871425 377966410 /nfs/dbraw/zinc/96/64/10/377966410.db2.gz FNVWYGBIEXEYCD-OLZOCXBDSA-N 1 1 264.369 1.716 40 0 CDABMO CCS(=O)(=O)[C@@H](CO)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000096525201 390539846 /nfs/dbraw/zinc/53/98/46/390539846.db2.gz CSWJOJYMXIALKI-WDEREUQCSA-N 1 1 277.773 1.135 40 0 CDABMO CCn1c2ccccc2cc(-c2noc(C[NH3+])n2)c1=O ZINC000062710742 390940828 /nfs/dbraw/zinc/94/08/28/390940828.db2.gz KNROVRPCZJOIAT-UHFFFAOYSA-N 1 1 270.292 1.530 40 0 CDABMO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@]2([NH3+])COC)cc1 ZINC000252516839 392798293 /nfs/dbraw/zinc/79/82/93/392798293.db2.gz XDUKOBOFCOXIML-KFWWJZLASA-N 1 1 297.420 1.493 40 0 CDABMO Cc1cccc(N2CCn3c(Cn4cncn4)cnc3C2)[nH+]1 ZINC000096070125 398069687 /nfs/dbraw/zinc/06/96/87/398069687.db2.gz RLRMLXIZOGUREE-UHFFFAOYSA-N 1 1 295.350 1.247 40 0 CDABMO c1cnc(N2CCC3(CC[N@@H+]3CC3CC3)CC2)cn1 ZINC000096077982 398070500 /nfs/dbraw/zinc/07/05/00/398070500.db2.gz LENUORDWHMJLRD-UHFFFAOYSA-N 1 1 258.369 1.931 40 0 CDABMO Nc1nc(NCCO)c(N)c(SCc2ccccc2)[nH+]1 ZINC000004896685 170037346 /nfs/dbraw/zinc/03/73/46/170037346.db2.gz OBKFXDPRBUJVAB-UHFFFAOYSA-N 1 1 291.380 1.338 40 0 CDABMO CCOC(=O)[C@H]([NH3+])Cc1c[nH]c2cc(F)ccc12 ZINC000044340647 175164101 /nfs/dbraw/zinc/16/41/01/175164101.db2.gz RAFFVWBYBSGEKK-LLVKDONJSA-N 1 1 250.273 1.740 40 0 CDABMO NC(=O)C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000072363767 176378193 /nfs/dbraw/zinc/37/81/93/176378193.db2.gz VDRNGDHXSNDGKA-ZETCQYMHSA-N 1 1 276.262 1.093 40 0 CDABMO NC(=O)C[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000072363767 176378194 /nfs/dbraw/zinc/37/81/94/176378194.db2.gz VDRNGDHXSNDGKA-ZETCQYMHSA-N 1 1 276.262 1.093 40 0 CDABMO CC(C)[N@@H+](CC(=O)NCc1ccco1)C1CCOCC1 ZINC000077323091 177252997 /nfs/dbraw/zinc/25/29/97/177252997.db2.gz OBCFZVNEQLFJFE-UHFFFAOYSA-N 1 1 280.368 1.785 40 0 CDABMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257257287 277075205 /nfs/dbraw/zinc/07/52/05/277075205.db2.gz KOXHACKGDIMFTF-LBPRGKRZSA-N 1 1 276.384 1.384 40 0 CDABMO CNc1ncc(C2=[NH+]O[C@](C)(C(=O)OC(C)C)C2)cn1 ZINC000226083466 1161385436 /nfs/dbraw/zinc/38/54/36/1161385436.db2.gz WPCJSOXIWSMVMP-ZDUSSCGKSA-N 1 1 278.312 1.353 40 0 CDABMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(F)ccc1C(=O)N2C ZINC001534639841 969498987 /nfs/dbraw/zinc/49/89/87/969498987.db2.gz KNMLOWCHFBHISH-OCCSQVGLSA-N 1 1 278.327 1.751 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@]2(CO1)CCC[N@@H+](Cc1ccco1)C2 ZINC000096048878 185073685 /nfs/dbraw/zinc/07/36/85/185073685.db2.gz DWKSADKZWDYAEX-HOCLYGCPSA-N 1 1 292.379 1.739 40 0 CDABMO COC[C@H]1C[N@H+](Cc2ccncc2)Cc2cnn(C)c21 ZINC000096060020 185081514 /nfs/dbraw/zinc/08/15/14/185081514.db2.gz XTEBJAZAHXEGMC-CQSZACIVSA-N 1 1 272.352 1.561 40 0 CDABMO COC[C@H]1C[N@@H+](Cc2ccncc2)Cc2cnn(C)c21 ZINC000096060020 185081515 /nfs/dbraw/zinc/08/15/15/185081515.db2.gz XTEBJAZAHXEGMC-CQSZACIVSA-N 1 1 272.352 1.561 40 0 CDABMO CCn1nnc2c1[C@@H](COC)C[N@@H+](CC1CCOCC1)C2 ZINC000096060848 185082248 /nfs/dbraw/zinc/08/22/48/185082248.db2.gz WGNHOHCGKVAJQA-CYBMUJFWSA-N 1 1 294.399 1.270 40 0 CDABMO CS(=O)(=O)N1CCC[C@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096071543 185086501 /nfs/dbraw/zinc/08/65/01/185086501.db2.gz FKTGYVBOURUORR-AWEZNQCLSA-N 1 1 298.408 1.670 40 0 CDABMO CS(=O)(=O)N1CCC[C@]12CCC[N@@H+](Cc1ccco1)C2 ZINC000096071543 185086502 /nfs/dbraw/zinc/08/65/02/185086502.db2.gz FKTGYVBOURUORR-AWEZNQCLSA-N 1 1 298.408 1.670 40 0 CDABMO c1cnc(N[C@H]2CO[C@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000096073782 185087823 /nfs/dbraw/zinc/08/78/23/185087823.db2.gz HDRKVDSHMOWRFE-ZBFHGGJFSA-N 1 1 288.395 1.922 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@]23CCN(c2cnccn2)C3)cn1 ZINC000096076114 185089524 /nfs/dbraw/zinc/08/95/24/185089524.db2.gz QMUVNDOMDZNQKU-HNNXBMFYSA-N 1 1 284.367 1.065 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@]23CCN(c2cnccn2)C3)cn1 ZINC000096076114 185089525 /nfs/dbraw/zinc/08/95/25/185089525.db2.gz QMUVNDOMDZNQKU-HNNXBMFYSA-N 1 1 284.367 1.065 40 0 CDABMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H](O)CC1CCCC1 ZINC000332939354 539050243 /nfs/dbraw/zinc/05/02/43/539050243.db2.gz JIOGUHRGESVFDD-HZSPNIEDSA-N 1 1 266.385 1.281 40 0 CDABMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccn2)[C@H](CO)[C@@H]1O ZINC000585295353 342260754 /nfs/dbraw/zinc/26/07/54/342260754.db2.gz WIQCVLPMWMWZCM-KZNAEPCWSA-N 1 1 298.386 1.711 40 0 CDABMO O[C@]1(COc2ccccc2)CC[N@@H+](CC2CCOCC2)C1 ZINC000585268934 342254430 /nfs/dbraw/zinc/25/44/30/342254430.db2.gz DYXGVSSCWNKXHL-QGZVFWFLSA-N 1 1 291.391 1.929 40 0 CDABMO O[C@@]1(COc2ccccc2)COCC[N@@H+](CC2CC2)C1 ZINC000585269339 342254504 /nfs/dbraw/zinc/25/45/04/342254504.db2.gz PRNYYJORBQDVMW-MRXNPFEDSA-N 1 1 277.364 1.539 40 0 CDABMO CO[C@H]1CC[N@@H+](CCC(N)=O)C[C@H]1Cc1ccccc1 ZINC000585269450 342255567 /nfs/dbraw/zinc/25/55/67/342255567.db2.gz VBHRCWFXUBVBOS-CABCVRRESA-N 1 1 276.380 1.441 40 0 CDABMO C[N@@H+](CCO)[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585288612 342258894 /nfs/dbraw/zinc/25/88/94/342258894.db2.gz FMUUCLIWQCTTCB-RRFJBIMHSA-N 1 1 299.798 1.925 40 0 CDABMO COc1cccc(C[N@@H+](C)[C@@H]2COC[C@@H](OC)[C@H]2O)c1F ZINC000585291692 342259002 /nfs/dbraw/zinc/25/90/02/342259002.db2.gz RTAIGUQRLVIXJM-KYOSRNDESA-N 1 1 299.342 1.041 40 0 CDABMO COc1cccc(C[N@H+](C)[C@@H]2COC[C@@H](OC)[C@H]2O)c1F ZINC000585291692 342259003 /nfs/dbraw/zinc/25/90/03/342259003.db2.gz RTAIGUQRLVIXJM-KYOSRNDESA-N 1 1 299.342 1.041 40 0 CDABMO CNc1cc(CC[C@H]2CN(c3cnccn3)CCO2)cc[nH+]1 ZINC000257211544 362578024 /nfs/dbraw/zinc/57/80/24/362578024.db2.gz BZHVFOPDKMJPLG-AWEZNQCLSA-N 1 1 299.378 1.751 40 0 CDABMO CCC[N@H+]1CCN(C)C(=O)[C@H](Cc2ccccn2)C1 ZINC000019700824 348736223 /nfs/dbraw/zinc/73/62/23/348736223.db2.gz UKBUOKHPVYGZNW-CYBMUJFWSA-N 1 1 261.369 1.424 40 0 CDABMO OC1(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)CCOCC1 ZINC000152979631 188057010 /nfs/dbraw/zinc/05/70/10/188057010.db2.gz XUWPBLUFMCAKAX-LBPRGKRZSA-N 1 1 265.357 1.131 40 0 CDABMO OC1(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)CCOCC1 ZINC000152979631 188057012 /nfs/dbraw/zinc/05/70/12/188057012.db2.gz XUWPBLUFMCAKAX-LBPRGKRZSA-N 1 1 265.357 1.131 40 0 CDABMO OC1(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)CCOCC1 ZINC000152979631 188057014 /nfs/dbraw/zinc/05/70/14/188057014.db2.gz XUWPBLUFMCAKAX-LBPRGKRZSA-N 1 1 265.357 1.131 40 0 CDABMO COCCn1nnnc1[C@@H](C(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000004230614 363206729 /nfs/dbraw/zinc/20/67/29/363206729.db2.gz ZMZONOIDJMWUHZ-CHWSQXEVSA-N 1 1 281.404 1.749 40 0 CDABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccncc3)C2)cc(=O)[nH]1 ZINC000019285280 356479447 /nfs/dbraw/zinc/47/94/47/356479447.db2.gz PHOVIDZIIITTCY-CYBMUJFWSA-N 1 1 270.336 1.463 40 0 CDABMO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1 ZINC000096184381 358713542 /nfs/dbraw/zinc/71/35/42/358713542.db2.gz NSGIZQMXZANKPL-CVEARBPZSA-N 1 1 287.407 1.423 40 0 CDABMO O=C1NCC[C@]12C[N@H+]([C@H]1CCOC1)C[C@H]2c1ccccc1 ZINC000096201832 358719273 /nfs/dbraw/zinc/71/92/73/358719273.db2.gz QTUYVLIFLQQWCB-YQQAZPJKSA-N 1 1 286.375 1.381 40 0 CDABMO O=C(c1ccncc1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC000096202659 358719585 /nfs/dbraw/zinc/71/95/85/358719585.db2.gz IBAFYWKVXNIHQY-UHFFFAOYSA-N 1 1 271.364 1.640 40 0 CDABMO O=C1NCCO[C@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]12 ZINC000096207087 358720004 /nfs/dbraw/zinc/72/00/04/358720004.db2.gz WNTVMEWGIFAQFW-NEPJUHHUSA-N 1 1 266.366 1.085 40 0 CDABMO O=C1N(c2ccccc2)CC[C@]12CCC[N@H+](CCO)C2 ZINC000096224744 358723269 /nfs/dbraw/zinc/72/32/69/358723269.db2.gz ZFADRWLXZFLMRH-INIZCTEOSA-N 1 1 274.364 1.498 40 0 CDABMO c1cnc(N2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)nc1 ZINC000096246163 358725814 /nfs/dbraw/zinc/72/58/14/358725814.db2.gz ZGTUOQYKLXMVMB-CVEARBPZSA-N 1 1 295.390 1.830 40 0 CDABMO c1nc2c(c(NC3CCC3)n1)CC[N@H+]([C@@H]1CCOC1)CC2 ZINC000096255786 358729088 /nfs/dbraw/zinc/72/90/88/358729088.db2.gz DGAYMPHTZPKRTO-CYBMUJFWSA-N 1 1 288.395 1.631 40 0 CDABMO C[N@H+]1CCC[C@]2(CN(Cc3cccnc3)CCO2)C1 ZINC000096268596 358730351 /nfs/dbraw/zinc/73/03/51/358730351.db2.gz FBQAAMCAWDPDOR-OAHLLOKOSA-N 1 1 261.369 1.378 40 0 CDABMO Cn1cc(C[NH2+]Cc2ccnn2C)c(C(F)(F)F)n1 ZINC000130733388 372357402 /nfs/dbraw/zinc/35/74/02/372357402.db2.gz CBGRALCHFYJLMS-UHFFFAOYSA-N 1 1 273.262 1.462 40 0 CDABMO Cc1cc(C[NH2+]Cc2cnn(CCF)c2)n(C)n1 ZINC000256051663 190003885 /nfs/dbraw/zinc/00/38/85/190003885.db2.gz KBUPXCAMBHSWKK-UHFFFAOYSA-N 1 1 251.309 1.184 40 0 CDABMO C[N@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cncc(O)c1 ZINC000257232379 190017363 /nfs/dbraw/zinc/01/73/63/190017363.db2.gz GKQOQYPUXOVLFU-HUUCEWRRSA-N 1 1 289.379 1.876 40 0 CDABMO CN(C)Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cncn3C)C2)n1 ZINC000257252053 190019994 /nfs/dbraw/zinc/01/99/94/190019994.db2.gz JTJKABXJHCMDOX-GFCCVEGCSA-N 1 1 288.399 1.194 40 0 CDABMO Cn1ccc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000257284145 190026544 /nfs/dbraw/zinc/02/65/44/190026544.db2.gz PBJNRSAPVVQWPT-INIZCTEOSA-N 1 1 270.380 1.909 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257274499 190024925 /nfs/dbraw/zinc/02/49/25/190024925.db2.gz NLILVIFVJXUIBP-CYBMUJFWSA-N 1 1 276.384 1.518 40 0 CDABMO Cn1nccc1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)ccn1 ZINC000257274365 190024977 /nfs/dbraw/zinc/02/49/77/190024977.db2.gz NKSBGMCVHCHGIX-ZDUSSCGKSA-N 1 1 285.351 1.834 40 0 CDABMO Cc1cc(N2CCOCC2)[nH+]cc1[C@H]1CCCCN1C=O ZINC000072219433 256707428 /nfs/dbraw/zinc/70/74/28/256707428.db2.gz JBAONTCNMIWMRQ-OAHLLOKOSA-N 1 1 289.379 1.910 40 0 CDABMO CCO[C@H]1C[N@H+](Cc2cccnc2OC)[C@@H]2CCCO[C@@H]21 ZINC000096187012 256816219 /nfs/dbraw/zinc/81/62/19/256816219.db2.gz GRVBFHJHYYKYSC-ILXRZTDVSA-N 1 1 292.379 1.859 40 0 CDABMO CCO[C@H]1C[N@@H+](Cc2cccnc2OC)[C@@H]2CCCO[C@@H]21 ZINC000096187012 256816221 /nfs/dbraw/zinc/81/62/21/256816221.db2.gz GRVBFHJHYYKYSC-ILXRZTDVSA-N 1 1 292.379 1.859 40 0 CDABMO CC(C)C(=O)N1CCCC[C@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072344100 390627072 /nfs/dbraw/zinc/62/70/72/390627072.db2.gz ZMDIQMNEZNMOOW-LBPRGKRZSA-N 1 1 291.399 1.433 40 0 CDABMO NN=c1ncc2c([nH]1)CC[N@H+](Cc1ccccc1)C2 ZINC000072415049 390628826 /nfs/dbraw/zinc/62/88/26/390628826.db2.gz MSIVFLGBJZEFSO-UHFFFAOYSA-N 1 1 255.325 1.321 40 0 CDABMO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccn1 ZINC000096056492 390912426 /nfs/dbraw/zinc/91/24/26/390912426.db2.gz VUJUSAWVXMALEZ-HUUCEWRRSA-N 1 1 289.379 1.293 40 0 CDABMO Cn1ccc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000227220859 140183175 /nfs/dbraw/zinc/18/31/75/140183175.db2.gz WQOWSBRSMYISFG-HUUCEWRRSA-N 1 1 256.353 1.697 40 0 CDABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+]2CCO)n1 ZINC000072355527 176375318 /nfs/dbraw/zinc/37/53/18/176375318.db2.gz COXASHUOGSTTTM-CQSZACIVSA-N 1 1 272.352 1.705 40 0 CDABMO Cc1noc(C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000072364274 176379102 /nfs/dbraw/zinc/37/91/02/176379102.db2.gz LUMGKUXGHKFXFC-UHFFFAOYSA-N 1 1 261.329 1.491 40 0 CDABMO C[N@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377385 176386092 /nfs/dbraw/zinc/38/60/92/176386092.db2.gz PWNDHQVBRGPTPN-NSHDSACASA-N 1 1 256.313 1.777 40 0 CDABMO C[N@H+]1CCOCC2(CCN(c3ncc(F)cn3)CC2)C1 ZINC000096239837 277117050 /nfs/dbraw/zinc/11/70/50/277117050.db2.gz GCYHFWZFPACMLB-UHFFFAOYSA-N 1 1 280.347 1.164 40 0 CDABMO Cc1ccc(OCCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000046463264 525403647 /nfs/dbraw/zinc/40/36/47/525403647.db2.gz OUPMNTOOJKBSQP-UHFFFAOYSA-N 1 1 276.380 1.928 40 0 CDABMO CC1(C)CC(=O)NCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000931200750 617642072 /nfs/dbraw/zinc/64/20/72/617642072.db2.gz ACEWNUWHAKKHTH-GFCCVEGCSA-N 1 1 266.385 1.689 40 0 CDABMO CNC(=O)[C@@]1(C)CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000019746708 342540611 /nfs/dbraw/zinc/54/06/11/342540611.db2.gz CKAMBXGZZZTSOR-AWEZNQCLSA-N 1 1 264.373 1.077 40 0 CDABMO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)o1 ZINC000096055565 185075643 /nfs/dbraw/zinc/07/56/43/185075643.db2.gz YMVXPTKRJOYDMZ-MCIONIFRSA-N 1 1 278.352 1.408 40 0 CDABMO CCn1nnc2c1[C@@H](COC)C[N@@H+](CC1CC1)C2 ZINC000096060846 185083447 /nfs/dbraw/zinc/08/34/47/185083447.db2.gz XRAQBQYEJPJKAU-LLVKDONJSA-N 1 1 250.346 1.254 40 0 CDABMO CC(C)(O)C[N@H+]1CCC[C@]2(C[C@H](c3cncnc3)CO2)C1 ZINC000096073484 185088048 /nfs/dbraw/zinc/08/80/48/185088048.db2.gz BMOFOBUCYAPTBV-BBRMVZONSA-N 1 1 291.395 1.586 40 0 CDABMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccncc3F)C[C@H]2C1 ZINC000096081391 185090510 /nfs/dbraw/zinc/09/05/10/185090510.db2.gz QHMRXKOMZYRNKF-WDEREUQCSA-N 1 1 263.316 1.244 40 0 CDABMO CNC(=O)C[C@H]1C[N@@H+](CC2CCCC2)Cc2ccnn21 ZINC000585112114 342213457 /nfs/dbraw/zinc/21/34/57/342213457.db2.gz LOCLQGDQFIVLDR-AWEZNQCLSA-N 1 1 276.384 1.566 40 0 CDABMO O=C(NCC(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000072795591 362011765 /nfs/dbraw/zinc/01/17/65/362011765.db2.gz NQJCXMARGIELPT-VIFPVBQESA-N 1 1 291.273 1.565 40 0 CDABMO CC[N@H+]1CC[C@@H](N(C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212681 344547491 /nfs/dbraw/zinc/54/74/91/344547491.db2.gz BKNBIUSEBXQMSH-CHWSQXEVSA-N 1 1 271.405 1.347 40 0 CDABMO CCN1CC[C@@H]([N@H+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212681 344547496 /nfs/dbraw/zinc/54/74/96/344547496.db2.gz BKNBIUSEBXQMSH-CHWSQXEVSA-N 1 1 271.405 1.347 40 0 CDABMO CCN1CC[C@@H]([N@@H+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212681 344547497 /nfs/dbraw/zinc/54/74/97/344547497.db2.gz BKNBIUSEBXQMSH-CHWSQXEVSA-N 1 1 271.405 1.347 40 0 CDABMO COc1ccc(/C=C2\C[N@@H+](C)CC[C@@H]2O)c(OC)c1OC ZINC000252483497 350378161 /nfs/dbraw/zinc/37/81/61/350378161.db2.gz FCPUVZDRDDWWNC-SRXBQZRASA-N 1 1 293.363 1.792 40 0 CDABMO c1nncn1[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000107787782 186191542 /nfs/dbraw/zinc/19/15/42/186191542.db2.gz OIPNZFOHLDQELK-HZPDHXFCSA-N 1 1 299.378 1.669 40 0 CDABMO CCN1CCO[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000108524893 186220725 /nfs/dbraw/zinc/22/07/25/186220725.db2.gz PFXODXJYWTZYPY-GJZGRUSLSA-N 1 1 261.369 1.377 40 0 CDABMO Cn1nccc1CN1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2C1 ZINC000108534312 186221645 /nfs/dbraw/zinc/22/16/45/186221645.db2.gz LFTOMKZBUCFPDL-HOTGVXAUSA-N 1 1 290.411 1.105 40 0 CDABMO O[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019405942 356484994 /nfs/dbraw/zinc/48/49/94/356484994.db2.gz VWYALEMORLXPFX-AWEZNQCLSA-N 1 1 270.336 1.495 40 0 CDABMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1nc(C)c(C)c1C ZINC000019527278 356490579 /nfs/dbraw/zinc/49/05/79/356490579.db2.gz MPVYGZFGHNXAIP-OAHLLOKOSA-N 1 1 292.427 1.799 40 0 CDABMO COC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccn2C)O1 ZINC000096186024 358714429 /nfs/dbraw/zinc/71/44/29/358714429.db2.gz DOBPBEVECNDMHG-AVGNSLFASA-N 1 1 265.357 1.188 40 0 CDABMO COC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccn2C)O1 ZINC000096186024 358714432 /nfs/dbraw/zinc/71/44/32/358714432.db2.gz DOBPBEVECNDMHG-AVGNSLFASA-N 1 1 265.357 1.188 40 0 CDABMO CCN1CC[C@]2(CCC[N@@H+](C[C@@H]3CCOC3)C2)C1=O ZINC000096223833 358723352 /nfs/dbraw/zinc/72/33/52/358723352.db2.gz MXXXYCCCNQEWCF-ZFWWWQNUSA-N 1 1 266.385 1.357 40 0 CDABMO Cc1cccc(N2C[C@@H]3C(=O)N(c4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC000096245234 358725871 /nfs/dbraw/zinc/72/58/71/358725871.db2.gz UZPFQFWRFFEERA-JSGCOSHPSA-N 1 1 297.362 1.223 40 0 CDABMO COc1ccc(CCC(=O)NCCn2cc[nH+]c2C)cc1 ZINC000049460894 373999835 /nfs/dbraw/zinc/99/98/35/373999835.db2.gz HWCMVFCJRIGXDM-UHFFFAOYSA-N 1 1 287.363 1.949 40 0 CDABMO CC[N@H+](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000072801394 374067212 /nfs/dbraw/zinc/06/72/12/374067212.db2.gz CBVLAYULLBVAGD-ZDUSSCGKSA-N 1 1 253.367 1.696 40 0 CDABMO CC[N@@H+](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000072801394 374067219 /nfs/dbraw/zinc/06/72/19/374067219.db2.gz CBVLAYULLBVAGD-ZDUSSCGKSA-N 1 1 253.367 1.696 40 0 CDABMO CCCn1cc(C[NH2+]Cc2ccnn2CCF)cn1 ZINC000256052111 190004444 /nfs/dbraw/zinc/00/44/44/190004444.db2.gz LYNBTQYIOQFJER-UHFFFAOYSA-N 1 1 265.336 1.749 40 0 CDABMO CN(C)Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cncs3)C2)n1 ZINC000257205194 190011677 /nfs/dbraw/zinc/01/16/77/190011677.db2.gz AYAOZFHTKARGNR-LLVKDONJSA-N 1 1 291.424 1.917 40 0 CDABMO COc1ncc(C[N@@H+]2CC[C@H](c3nccc(C)n3)C2)cn1 ZINC000257213672 190013123 /nfs/dbraw/zinc/01/31/23/190013123.db2.gz CIPUMXDGWBURIR-ZDUSSCGKSA-N 1 1 285.351 1.573 40 0 CDABMO COc1ncc(C[N@H+]2CC[C@H](c3nccc(C)n3)C2)cn1 ZINC000257213672 190013124 /nfs/dbraw/zinc/01/31/24/190013124.db2.gz CIPUMXDGWBURIR-ZDUSSCGKSA-N 1 1 285.351 1.573 40 0 CDABMO O[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1Oc1cccc(F)c1 ZINC000257279666 190025809 /nfs/dbraw/zinc/02/58/09/190025809.db2.gz OHQMDFHEVRSJTD-HUUCEWRRSA-N 1 1 281.327 1.429 40 0 CDABMO CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccccn1 ZINC000067897153 377286747 /nfs/dbraw/zinc/28/67/47/377286747.db2.gz TYFSGIDUNREIMB-CABCVRRESA-N 1 1 289.379 1.149 40 0 biogenic,in-vitro CDABMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000063527693 378303891 /nfs/dbraw/zinc/30/38/91/378303891.db2.gz XHSZJIQPYHWANT-OAHLLOKOSA-N 1 1 259.353 1.640 40 0 CDABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O ZINC000252516428 256690375 /nfs/dbraw/zinc/69/03/75/256690375.db2.gz SKVAXYJGDQKULE-MJBXVCDLSA-N 1 1 283.393 1.239 40 0 CDABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@H]12 ZINC000096251822 256834838 /nfs/dbraw/zinc/83/48/38/256834838.db2.gz BSRQBGMBKLMXBC-GJZGRUSLSA-N 1 1 294.420 1.294 40 0 CDABMO CC(=O)N1CCC[C@H]1c1c[nH+]c(N2CCOCC2)cc1C ZINC000072219393 390622987 /nfs/dbraw/zinc/62/29/87/390622987.db2.gz CKDJBMNSHODDPJ-HNNXBMFYSA-N 1 1 289.379 1.910 40 0 CDABMO CC(=O)N1CCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1C ZINC000072219619 390623038 /nfs/dbraw/zinc/62/30/38/390623038.db2.gz QSRSOMJHNKXPBD-OAHLLOKOSA-N 1 1 289.379 1.910 40 0 CDABMO CCCC[N@@H+](C)C[C@@H]1OC[C@H]([NH2+]Cc2ccccn2)[C@H]1O ZINC000514288419 390882140 /nfs/dbraw/zinc/88/21/40/390882140.db2.gz DPMAFSNMWKJWQO-HRCADAONSA-N 1 1 293.411 1.031 40 0 biogenic,in-vitro CDABMO CCCC[N@H+](C)C[C@@H]1OC[C@H](NCc2ccccn2)[C@H]1O ZINC000514288419 390882145 /nfs/dbraw/zinc/88/21/45/390882145.db2.gz DPMAFSNMWKJWQO-HRCADAONSA-N 1 1 293.411 1.031 40 0 biogenic,in-vitro CDABMO Cc1cccc(OC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000023230536 391310727 /nfs/dbraw/zinc/31/07/27/391310727.db2.gz WRRZGGPVQRQSAH-KFWWJZLASA-N 1 1 279.380 1.844 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000006046592 170171694 /nfs/dbraw/zinc/17/16/94/170171694.db2.gz XYXMSTYDMCHXLA-UHFFFAOYSA-N 1 1 278.352 1.482 40 0 CDABMO CC(=O)N1CCC(NC(=O)C[N@H+](C)C2CCCCC2)CC1 ZINC000070923888 176012159 /nfs/dbraw/zinc/01/21/59/176012159.db2.gz BKLPPZCZARWBOR-UHFFFAOYSA-N 1 1 295.427 1.378 40 0 CDABMO Cc1c[nH]nc1C1CC[NH+](Cc2nccn2C)CC1 ZINC000072364287 176379507 /nfs/dbraw/zinc/37/95/07/176379507.db2.gz KORPIFJYLIUPNX-UHFFFAOYSA-N 1 1 259.357 1.831 40 0 CDABMO COCCNC(=O)[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C ZINC000072366456 176381721 /nfs/dbraw/zinc/38/17/21/176381721.db2.gz RJRXQMSKSKAGIQ-INIZCTEOSA-N 1 1 294.370 1.595 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(F)c1 ZINC000072397569 176394913 /nfs/dbraw/zinc/39/49/13/176394913.db2.gz JGYRAOGEWYUKGQ-TUKIKUTGSA-N 1 1 264.344 1.465 40 0 CDABMO C[N@H+]1CCc2nc(NCc3ccccc3)[nH]c(=O)c2C1 ZINC000072415038 176399279 /nfs/dbraw/zinc/39/92/79/176399279.db2.gz YTDRQEVVVIDFBT-UHFFFAOYSA-N 1 1 270.336 1.370 40 0 CDABMO CN1C(=O)c2cccn2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306131901 277022006 /nfs/dbraw/zinc/02/20/06/277022006.db2.gz KSJNQNHNZJAPAK-CABCVRRESA-N 1 1 282.347 1.394 40 0 CDABMO CN1C(=O)c2cccn2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306131901 277022007 /nfs/dbraw/zinc/02/20/07/277022007.db2.gz KSJNQNHNZJAPAK-CABCVRRESA-N 1 1 282.347 1.394 40 0 CDABMO O=C([C@@H]1COC[C@H]2C[N@H+](C3CCCC3)C[C@H]21)N1CCCO1 ZINC000096038660 280105607 /nfs/dbraw/zinc/10/56/07/280105607.db2.gz SAFXPLNEPVNRGZ-BPLDGKMQSA-N 1 1 294.395 1.287 40 0 CDABMO CN1CCC([N@@H+]2CCOC[C@H](Oc3ccccc3)C2)CC1 ZINC000096296487 327114248 /nfs/dbraw/zinc/11/42/48/327114248.db2.gz GNBHECQRKXKUML-QGZVFWFLSA-N 1 1 290.407 1.860 40 0 biogenic,in-vitro CDABMO CN1CCC([N@H+]2CCOC[C@H](Oc3ccccc3)C2)CC1 ZINC000096296487 327114249 /nfs/dbraw/zinc/11/42/49/327114249.db2.gz GNBHECQRKXKUML-QGZVFWFLSA-N 1 1 290.407 1.860 40 0 biogenic,in-vitro CDABMO CCOC(=O)[C@]1(C)CC(c2cnc(NC(C)C)nc2)=[NH+]O1 ZINC000226084348 1161389599 /nfs/dbraw/zinc/38/95/99/1161389599.db2.gz JVRIVOSTHMNRDO-AWEZNQCLSA-N 1 1 292.339 1.743 40 0 CDABMO C[N@@H+]1CCOCC12CCN(Cc1ccncc1)CC2 ZINC000096048906 185072725 /nfs/dbraw/zinc/07/27/25/185072725.db2.gz IMBTVSZQQUXLAE-UHFFFAOYSA-N 1 1 261.369 1.378 40 0 CDABMO C[N@H+]1CCOCC12CCN(Cc1ccncc1)CC2 ZINC000096048906 185072727 /nfs/dbraw/zinc/07/27/27/185072727.db2.gz IMBTVSZQQUXLAE-UHFFFAOYSA-N 1 1 261.369 1.378 40 0 CDABMO c1cnc(N[C@@H]2CO[C@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096047749 185073315 /nfs/dbraw/zinc/07/33/15/185073315.db2.gz PUMJTAWIVWYEPX-DZGCQCFKSA-N 1 1 274.368 1.532 40 0 CDABMO c1cncc(CO[C@H]2C[C@@H]3C[N@@H+](CC4CC4)CCN3C2)c1 ZINC000096055048 185075805 /nfs/dbraw/zinc/07/58/05/185075805.db2.gz YRLXUVSHVKUPFH-SJORKVTESA-N 1 1 287.407 1.767 40 0 CDABMO c1cncc(CO[C@H]2C[C@@H]3CN(CC4CC4)CC[N@@H+]3C2)c1 ZINC000096055048 185075806 /nfs/dbraw/zinc/07/58/06/185075806.db2.gz YRLXUVSHVKUPFH-SJORKVTESA-N 1 1 287.407 1.767 40 0 CDABMO c1cncc(CO[C@H]2C[C@@H]3CN(CC4CC4)CC[N@H+]3C2)c1 ZINC000096055048 185075808 /nfs/dbraw/zinc/07/58/08/185075808.db2.gz YRLXUVSHVKUPFH-SJORKVTESA-N 1 1 287.407 1.767 40 0 CDABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](C[NH+](C)C)OC[C@@H]3C2)o1 ZINC000096057581 185077158 /nfs/dbraw/zinc/07/71/58/185077158.db2.gz XFNHQIQBYLBFQW-BPUTZDHNSA-N 1 1 278.396 1.987 40 0 CDABMO c1cnc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000096073780 185087696 /nfs/dbraw/zinc/08/76/96/185087696.db2.gz HDRKVDSHMOWRFE-GDBMZVCRSA-N 1 1 288.395 1.922 40 0 CDABMO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(c3nnc(C)o3)C2)no1 ZINC000096110111 185100665 /nfs/dbraw/zinc/10/06/65/185100665.db2.gz LRWQYYQUENXBOP-BXUZGUMPSA-N 1 1 290.323 1.074 40 0 CDABMO Cc1cc(C[N@H+]2C[C@@H]3COC[C@]3(c3nnc(C)o3)C2)no1 ZINC000096110111 185100667 /nfs/dbraw/zinc/10/06/67/185100667.db2.gz LRWQYYQUENXBOP-BXUZGUMPSA-N 1 1 290.323 1.074 40 0 CDABMO COCC[N@H+]1CC[C@@]12CCCN(C(=O)c1cc(C)on1)C2 ZINC000585101828 342212426 /nfs/dbraw/zinc/21/24/26/342212426.db2.gz HSKWMNGSZZWYMQ-OAHLLOKOSA-N 1 1 293.367 1.310 40 0 CDABMO COC(=O)[C@H]([NH3+])C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000044329094 347058120 /nfs/dbraw/zinc/05/81/20/347058120.db2.gz DXIPFEWXUZOSON-WDEREUQCSA-N 1 1 286.372 1.524 40 0 CDABMO CN(C)C(=O)C[C@H]1OC[C@H]2C[N@@H+](CC3CCC3)CC[C@@H]12 ZINC000108524750 186220743 /nfs/dbraw/zinc/22/07/43/186220743.db2.gz ZVNILNSMVDFMRZ-RBSFLKMASA-N 1 1 280.412 1.602 40 0 CDABMO c1cnc2c(n[nH]c2[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000019404280 356484148 /nfs/dbraw/zinc/48/41/48/356484148.db2.gz OCHYDNASPCMYAS-LLVKDONJSA-N 1 1 257.341 1.942 40 0 CDABMO CC[N@H+](CCO)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393510 356988954 /nfs/dbraw/zinc/98/89/54/356988954.db2.gz WFRSMUFCVDJMKR-MRXNPFEDSA-N 1 1 262.397 1.823 40 0 CDABMO CC[N@@H+](CCO)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393510 356988958 /nfs/dbraw/zinc/98/89/58/356988958.db2.gz WFRSMUFCVDJMKR-MRXNPFEDSA-N 1 1 262.397 1.823 40 0 CDABMO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CCOCC1 ZINC000096057780 358707392 /nfs/dbraw/zinc/70/73/92/358707392.db2.gz CGLHFDDAMQYNAY-BFHYXJOUSA-N 1 1 255.358 1.291 40 0 CDABMO O=C1CO[C@@H]2C[N@H+](Cc3cccs3)C[C@H]2N1CC1CC1 ZINC000096054253 358707640 /nfs/dbraw/zinc/70/76/40/358707640.db2.gz TXVAXWGRHKKKCU-ZIAGYGMSSA-N 1 1 292.404 1.570 40 0 CDABMO O=C1CO[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2N1CC1CC1 ZINC000096054253 358707643 /nfs/dbraw/zinc/70/76/43/358707643.db2.gz TXVAXWGRHKKKCU-ZIAGYGMSSA-N 1 1 292.404 1.570 40 0 CDABMO O=C(c1cnccn1)N1C[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2C1 ZINC000096182286 358713340 /nfs/dbraw/zinc/71/33/40/358713340.db2.gz PEOIAAQLFQKRDF-BETUJISGSA-N 1 1 298.346 1.274 40 0 CDABMO c1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H]2CCOC2)nc1 ZINC000096184729 358714403 /nfs/dbraw/zinc/71/44/03/358714403.db2.gz VMJNFHWRTIRIRL-UAGQMJEPSA-N 1 1 287.407 1.767 40 0 CDABMO COCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccoc1)C2 ZINC000096202746 358718951 /nfs/dbraw/zinc/71/89/51/358718951.db2.gz IGPQOMQAKWBBNI-UHFFFAOYSA-N 1 1 278.352 1.350 40 0 CDABMO c1cnc(N2CC3(C2)CC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096202510 358719336 /nfs/dbraw/zinc/71/93/36/358719336.db2.gz VNFDRAHJOPQGLC-UHFFFAOYSA-N 1 1 281.363 1.584 40 0 CDABMO O=C(C1CC1)N1C[C@@H]2CC[N@@H+](Cc3ccco3)[C@@H]2C1 ZINC000096246075 358725840 /nfs/dbraw/zinc/72/58/40/358725840.db2.gz YDNWXVUHEVRRLC-GXTWGEPZSA-N 1 1 260.337 1.722 40 0 CDABMO c1nc2c(c(C3CC3)n1)CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096255123 358729080 /nfs/dbraw/zinc/72/90/80/358729080.db2.gz GQHGGXVFUPOSQK-GFCCVEGCSA-N 1 1 273.380 1.791 40 0 CDABMO Cc1c(C[N@H+](CCO)Cc2cccs2)cnn1C ZINC000013997471 366506370 /nfs/dbraw/zinc/50/63/70/366506370.db2.gz MVTVDIICUFHCKY-UHFFFAOYSA-N 1 1 265.382 1.785 40 0 CDABMO Cc1c(C[N@@H+](CCO)Cc2cccs2)cnn1C ZINC000013997471 366506375 /nfs/dbraw/zinc/50/63/75/366506375.db2.gz MVTVDIICUFHCKY-UHFFFAOYSA-N 1 1 265.382 1.785 40 0 CDABMO CC[NH+]1CCN(C(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000023410351 359242055 /nfs/dbraw/zinc/24/20/55/359242055.db2.gz JSTHOIVVBNTNDR-AWEZNQCLSA-N 1 1 262.353 1.538 40 0 CDABMO CCOC[C@]1([NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218442485 370335094 /nfs/dbraw/zinc/33/50/94/370335094.db2.gz SKVAXYJGDQKULE-RDBSUJKOSA-N 1 1 283.393 1.239 40 0 CDABMO CCN1CC[C@@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@H](C)C1 ZINC000131012706 374419962 /nfs/dbraw/zinc/41/99/62/374419962.db2.gz PHRYXUSUVCPLHH-ZIAGYGMSSA-N 1 1 298.427 1.276 40 0 CDABMO Cc1cccc(N2CCC(N3CCNC3=O)CC2)[nH+]1 ZINC000157155904 375131818 /nfs/dbraw/zinc/13/18/18/375131818.db2.gz RSFQVVLDTRNWMX-UHFFFAOYSA-N 1 1 260.341 1.384 40 0 CDABMO C[N@H+]1CCC[C@@](CCCc2ccncc2)(C(N)=O)C1 ZINC000257201116 190010687 /nfs/dbraw/zinc/01/06/87/190010687.db2.gz AGJFLBSCXXUWDA-OAHLLOKOSA-N 1 1 261.369 1.602 40 0 CDABMO Cc1nc[nH]c1C[N@H+]1CC[C@@H](c2nccc(C)n2)C1 ZINC000257210028 190012200 /nfs/dbraw/zinc/01/22/00/190012200.db2.gz BSVFWDSMJNAJIN-GFCCVEGCSA-N 1 1 257.341 1.806 40 0 CDABMO COCC[N@H+]1CCC[C@H](c2cncc(-c3cn[nH]c3)n2)C1 ZINC000257246734 190019214 /nfs/dbraw/zinc/01/92/14/190019214.db2.gz IVOUOBQUWHWJOZ-LBPRGKRZSA-N 1 1 287.367 1.693 40 0 CDABMO O[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@@]12CCCO2 ZINC000257264520 190022954 /nfs/dbraw/zinc/02/29/54/190022954.db2.gz LUTWBVIZUPNYFC-HOTGVXAUSA-N 1 1 277.364 1.681 40 0 CDABMO Cn1ccnc1CN1CCC[C@H](CC[NH+](C)C)C1 ZINC000257295387 190028344 /nfs/dbraw/zinc/02/83/44/190028344.db2.gz QYCKYXJXCLPRAI-CYBMUJFWSA-N 1 1 250.390 1.584 40 0 CDABMO Nc1nccnc1C[C@@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000257296741 190028444 /nfs/dbraw/zinc/02/84/44/190028444.db2.gz REEUOXIAZBNQFP-LBPRGKRZSA-N 1 1 284.367 1.304 40 0 CDABMO CN(Cc1cccs1)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000041123523 379333822 /nfs/dbraw/zinc/33/38/22/379333822.db2.gz PCPNVIYFYNSKOY-ZDUSSCGKSA-N 1 1 254.399 1.637 40 0 CDABMO CN1CCC[C@@](O)(C[N@H+](C)Cc2cccs2)C1 ZINC000041123523 379333830 /nfs/dbraw/zinc/33/38/30/379333830.db2.gz PCPNVIYFYNSKOY-ZDUSSCGKSA-N 1 1 254.399 1.637 40 0 CDABMO CN1CCC[C@@](O)(C[N@@H+](C)Cc2cccs2)C1 ZINC000041123523 379333837 /nfs/dbraw/zinc/33/38/37/379333837.db2.gz PCPNVIYFYNSKOY-ZDUSSCGKSA-N 1 1 254.399 1.637 40 0 CDABMO O[C@@H]1CC=C2CC[N@H+]3Cc4cc5c(cc4[C@H]1[C@H]23)OCO5 ZINC000005734928 285309847 /nfs/dbraw/zinc/30/98/47/285309847.db2.gz XKYSLILSDJBMCU-WQVCFCJDSA-N 1 1 271.316 1.778 40 0 CDABMO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000096184509 256815319 /nfs/dbraw/zinc/81/53/19/256815319.db2.gz LNQQQBNXJBWNHE-KGLIPLIRSA-N 1 1 298.383 1.434 40 0 CDABMO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000096184509 256815320 /nfs/dbraw/zinc/81/53/20/256815320.db2.gz LNQQQBNXJBWNHE-KGLIPLIRSA-N 1 1 298.383 1.434 40 0 CDABMO C[C@H]1Cc2ccccc2N1C[C@]1(O)CCC[N@@H+](C)C1 ZINC000072240972 390246974 /nfs/dbraw/zinc/24/69/74/390246974.db2.gz XHIONXYOTPIENM-BBRMVZONSA-N 1 1 260.381 1.894 40 0 CDABMO CC(C)C(=O)N1CCCC[C@@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072344099 390627211 /nfs/dbraw/zinc/62/72/11/390627211.db2.gz ZMDIQMNEZNMOOW-GFCCVEGCSA-N 1 1 291.399 1.433 40 0 CDABMO C[N@@H+]1CCO[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096157090 390913066 /nfs/dbraw/zinc/91/30/66/390913066.db2.gz CPNRZYXOOHRVHW-KRWDZBQOSA-N 1 1 288.391 1.552 40 0 CDABMO C[N@H+]1CCO[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096157090 390913067 /nfs/dbraw/zinc/91/30/67/390913067.db2.gz CPNRZYXOOHRVHW-KRWDZBQOSA-N 1 1 288.391 1.552 40 0 CDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)C1 ZINC000306123095 392105522 /nfs/dbraw/zinc/10/55/22/392105522.db2.gz AEIMMDQKHJRTPC-BFHYXJOUSA-N 1 1 280.412 1.602 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@]1([NH3+])COC ZINC000242463732 393120035 /nfs/dbraw/zinc/12/00/35/393120035.db2.gz DIKLLSFLPFJZPF-JHJVBQTASA-N 1 1 287.356 1.070 40 0 CDABMO Cc1cccc2c1cnn2CCC(=O)N1CC[NH+](C)CC1 ZINC000040758332 174396986 /nfs/dbraw/zinc/39/69/86/174396986.db2.gz MAIQTDCUTGZYRF-UHFFFAOYSA-N 1 1 286.379 1.509 40 0 CDABMO CC(C)C[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000072361111 176376972 /nfs/dbraw/zinc/37/69/72/176376972.db2.gz JHLVOVDNOCGKPH-JTQLQIEISA-N 1 1 250.346 1.344 40 0 CDABMO COc1ncc(C[N@@H+]2CCC[C@H](c3cncc(C)n3)C2)cn1 ZINC000072364463 176379518 /nfs/dbraw/zinc/37/95/18/176379518.db2.gz DFAUHMJVQICBJY-AWEZNQCLSA-N 1 1 299.378 1.963 40 0 CDABMO COc1ncc(C[N@H+]2CCC[C@H](c3cncc(C)n3)C2)cn1 ZINC000072364463 176379520 /nfs/dbraw/zinc/37/95/20/176379520.db2.gz DFAUHMJVQICBJY-AWEZNQCLSA-N 1 1 299.378 1.963 40 0 CDABMO COc1ccccc1OC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072367779 176382303 /nfs/dbraw/zinc/38/23/03/176382303.db2.gz LEUKYPVRKVONTF-LBPRGKRZSA-N 1 1 278.352 1.271 40 0 CDABMO COc1ccccc1OC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072367779 176382304 /nfs/dbraw/zinc/38/23/04/176382304.db2.gz LEUKYPVRKVONTF-LBPRGKRZSA-N 1 1 278.352 1.271 40 0 CDABMO COc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000074959616 260288579 /nfs/dbraw/zinc/28/85/79/260288579.db2.gz FLZCAVSCGLXELR-UHFFFAOYSA-N 1 1 262.353 1.320 40 0 CDABMO CNC(=O)N[C@@H]1c2cccc(F)c2[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000107273305 277238497 /nfs/dbraw/zinc/23/84/97/277238497.db2.gz WQFIWSNKTKGFCZ-GBIKHYSHSA-N 1 1 263.316 1.455 40 0 CDABMO CNC(=O)C(C)(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCCCC1 ZINC000096113069 290347271 /nfs/dbraw/zinc/34/72/71/290347271.db2.gz PNPCIQUWKAERDR-ZDUSSCGKSA-N 1 1 295.427 1.378 40 0 biogenic,in-vitro CDABMO CNC(=O)C(C)(C)[N@H+]1CCC[C@H]1C(=O)N1CCCCCC1 ZINC000096113069 290347275 /nfs/dbraw/zinc/34/72/75/290347275.db2.gz PNPCIQUWKAERDR-ZDUSSCGKSA-N 1 1 295.427 1.378 40 0 biogenic,in-vitro CDABMO CCOc1ccc([C@@H]([NH3+])c2nnc(C)[nH]2)cc1OC ZINC000095534211 185006147 /nfs/dbraw/zinc/00/61/47/185006147.db2.gz LMKVMZVQXXKVPF-GFCCVEGCSA-N 1 1 262.313 1.569 40 0 CDABMO CS(=O)(=O)N1C[C@H]2CCC[N@H+](Cc3ccoc3)[C@H]2C1 ZINC000096054176 185075800 /nfs/dbraw/zinc/07/58/00/185075800.db2.gz PETRYEXZDPSQLZ-OLZOCXBDSA-N 1 1 284.381 1.135 40 0 CDABMO CS(=O)(=O)N1C[C@H]2CCC[N@@H+](Cc3ccoc3)[C@H]2C1 ZINC000096054176 185075802 /nfs/dbraw/zinc/07/58/02/185075802.db2.gz PETRYEXZDPSQLZ-OLZOCXBDSA-N 1 1 284.381 1.135 40 0 CDABMO Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)C[N@@H+](C)C2 ZINC000253612982 362443248 /nfs/dbraw/zinc/44/32/48/362443248.db2.gz IHANDCBTRBCAOM-NSHDSACASA-N 1 1 290.392 1.327 40 0 CDABMO Cc1ncc(C[N@H+]2CCC[C@]3(CCNC3=O)CC2)cn1 ZINC000108530836 186221717 /nfs/dbraw/zinc/22/17/17/186221717.db2.gz BWOBBONMUYIXIO-HNNXBMFYSA-N 1 1 274.368 1.277 40 0 CDABMO CNC(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cncn1C)C2 ZINC000108535796 186222704 /nfs/dbraw/zinc/22/27/04/186222704.db2.gz RBLNWRQCEDSKPF-DZGCQCFKSA-N 1 1 276.384 1.158 40 0 CDABMO CC(C)Oc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000034682021 355982404 /nfs/dbraw/zinc/98/24/04/355982404.db2.gz BFQAHWMFCCGGTO-UHFFFAOYSA-N 1 1 284.381 1.068 40 0 CDABMO C[NH+](C)CCNCc1cc(-c2ccccc2)cn2nnnc12 ZINC000019582923 356491952 /nfs/dbraw/zinc/49/19/52/356491952.db2.gz KEQLFCKUAFRGAQ-UHFFFAOYSA-N 1 1 296.378 1.443 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)c1[nH]nc2ccc(C)cc21 ZINC000019657080 356494143 /nfs/dbraw/zinc/49/41/43/356494143.db2.gz AWEIGBPQKDMDPO-UHFFFAOYSA-N 1 1 283.335 1.806 40 0 CDABMO NCC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404297 356991509 /nfs/dbraw/zinc/99/15/09/356991509.db2.gz NIBGJGRALHGNIQ-INIZCTEOSA-N 1 1 287.407 1.601 40 0 CDABMO NCC(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404297 356991510 /nfs/dbraw/zinc/99/15/10/356991510.db2.gz NIBGJGRALHGNIQ-INIZCTEOSA-N 1 1 287.407 1.601 40 0 CDABMO CC(C)(C)OC(=O)N(C[C@H]1CCC[N@H+]1CCO)C1CC1 ZINC000079408187 356992667 /nfs/dbraw/zinc/99/26/67/356992667.db2.gz ZOGZLUGGTWQZEC-CYBMUJFWSA-N 1 1 284.400 1.843 40 0 CDABMO C[C@H]1CCC[N@@H+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397373 357831817 /nfs/dbraw/zinc/83/18/17/357831817.db2.gz ZVSWVLRLGPVXER-ZDUSSCGKSA-N 1 1 276.384 1.545 40 0 CDABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](CC1CCOCC1)C2 ZINC000096056772 358707072 /nfs/dbraw/zinc/70/70/72/358707072.db2.gz VHQFVCVHLZKTKM-HZPDHXFCSA-N 1 1 283.412 1.931 40 0 CDABMO Cc1ccc(C(=O)N2CCn3cc(C[NH+](C)C)nc3C2)o1 ZINC000096197164 358715821 /nfs/dbraw/zinc/71/58/21/358715821.db2.gz ZMYDVMVRCRYYMB-UHFFFAOYSA-N 1 1 288.351 1.502 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1nc(C)cs1)CC[C@@H]2OC ZINC000096206936 358720318 /nfs/dbraw/zinc/72/03/18/358720318.db2.gz XJSKFCPAAGPFPQ-MJBXVCDLSA-N 1 1 295.452 1.993 40 0 CDABMO Cc1cnnn1Cc1ncn2c1C[N@@H+](CC1CC1)CCC2 ZINC000096259471 358729102 /nfs/dbraw/zinc/72/91/02/358729102.db2.gz KXWZITBSTZSHDT-UHFFFAOYSA-N 1 1 286.383 1.447 40 0 CDABMO CN1CCO[C@]2(CCC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096268628 358730406 /nfs/dbraw/zinc/73/04/06/358730406.db2.gz TVESNFLBFNZSSQ-CQSZACIVSA-N 1 1 250.342 1.576 40 0 CDABMO C[N@@H+]1CCO[C@]2(CCCN(Cc3ccoc3)C2)C1 ZINC000096268628 358730410 /nfs/dbraw/zinc/73/04/10/358730410.db2.gz TVESNFLBFNZSSQ-CQSZACIVSA-N 1 1 250.342 1.576 40 0 CDABMO C[N@H+]1CCO[C@]2(CCCN(Cc3ccoc3)C2)C1 ZINC000096268628 358730415 /nfs/dbraw/zinc/73/04/15/358730415.db2.gz TVESNFLBFNZSSQ-CQSZACIVSA-N 1 1 250.342 1.576 40 0 CDABMO O=C1C[C@H]2[C@@H](CC[N@H+]2[C@H]2CCOC2)N1c1ccsc1 ZINC000107198681 359016696 /nfs/dbraw/zinc/01/66/96/359016696.db2.gz GAKZXYNNJCUPDS-UHTWSYAYSA-N 1 1 278.377 1.717 40 0 CDABMO OC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000059896342 359823397 /nfs/dbraw/zinc/82/33/97/359823397.db2.gz MAIQTCNPXDNHPS-UHFFFAOYSA-N 1 1 257.337 1.829 40 0 CDABMO CC[C@@H](O)C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000075744354 360185517 /nfs/dbraw/zinc/18/55/17/360185517.db2.gz MEEUTZYNJPJZMG-SECBINFHSA-N 1 1 272.286 1.275 40 0 CDABMO O=C(CC[NH+]1CCCC1)N1CCNC[C@H]1c1ccccc1 ZINC000257210710 283779419 /nfs/dbraw/zinc/77/94/19/283779419.db2.gz BVUXMZUHEUPYNK-INIZCTEOSA-N 1 1 287.407 1.645 40 0 CDABMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H]1C ZINC000225600809 284060686 /nfs/dbraw/zinc/06/06/86/284060686.db2.gz NOFMBKAGFXNTPR-YIZRAAEISA-N 1 1 269.263 1.041 40 0 CDABMO Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000072798664 541874598 /nfs/dbraw/zinc/87/45/98/541874598.db2.gz OLNSRNHAFQNTLZ-CQSZACIVSA-N 1 1 276.380 1.832 40 0 CDABMO Clc1ccc(-c2nc(CN3CC[NH2+]CC3)n[nH]2)cc1 ZINC000064875461 374241160 /nfs/dbraw/zinc/24/11/60/374241160.db2.gz RKONUPSFPFQUQD-UHFFFAOYSA-N 1 1 277.759 1.530 40 0 CDABMO Clc1ccc(-c2n[nH]c(CN3CC[NH2+]CC3)n2)cc1 ZINC000064875461 374241167 /nfs/dbraw/zinc/24/11/67/374241167.db2.gz RKONUPSFPFQUQD-UHFFFAOYSA-N 1 1 277.759 1.530 40 0 CDABMO COc1cccc(SCC(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000079065115 374766695 /nfs/dbraw/zinc/76/66/95/374766695.db2.gz MAEREYDEDLJRSQ-LBPRGKRZSA-N 1 1 294.420 1.998 40 0 CDABMO CC(C)C[C@@H](C)C[NH+]1CCN(CCS(C)(=O)=O)CC1 ZINC000225628090 375173994 /nfs/dbraw/zinc/17/39/94/375173994.db2.gz ROPPQJUKLZGSKC-CQSZACIVSA-N 1 1 290.473 1.331 40 0 CDABMO C[C@@H]1CCCC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000225772574 375202292 /nfs/dbraw/zinc/20/22/92/375202292.db2.gz GSWPIKPDAOVEGS-CQSZACIVSA-N 1 1 267.417 1.273 40 0 CDABMO [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCc2ccccc21 ZINC000162584066 375387346 /nfs/dbraw/zinc/38/73/46/375387346.db2.gz FRZUVKUKVUHNSZ-GFCCVEGCSA-N 1 1 268.307 1.817 40 0 CDABMO CCOCC[N@H+]1CCC[C@H](Cc2nccnc2NC)C1 ZINC000257229170 190016445 /nfs/dbraw/zinc/01/64/45/190016445.db2.gz FWYTWIHHHYOQJT-CYBMUJFWSA-N 1 1 278.400 1.809 40 0 CDABMO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cncn3C)C2)n1 ZINC000257219013 190014248 /nfs/dbraw/zinc/01/42/48/190014248.db2.gz DFGKLSCYRUNGON-LBPRGKRZSA-N 1 1 259.357 1.831 40 0 CDABMO COCC[N@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000257291631 190027541 /nfs/dbraw/zinc/02/75/41/190027541.db2.gz QHXJTGKTOVPHCB-DOTOQJQBSA-N 1 1 288.391 1.771 40 0 CDABMO C[N@H+]1CCN(Cc2ccc3ccccc3n2)C[C@H](C(N)=O)C1 ZINC000257304260 190030645 /nfs/dbraw/zinc/03/06/45/190030645.db2.gz SKUDIFVFQFTURI-CQSZACIVSA-N 1 1 298.390 1.084 40 0 CDABMO CN1CC[N@H+](Cc2ccc3ccccc3n2)C[C@H](C(N)=O)C1 ZINC000257304260 190030646 /nfs/dbraw/zinc/03/06/46/190030646.db2.gz SKUDIFVFQFTURI-CQSZACIVSA-N 1 1 298.390 1.084 40 0 CDABMO CN1CC[N@@H+](Cc2ccc3ccccc3n2)C[C@H](C(N)=O)C1 ZINC000257304260 190030647 /nfs/dbraw/zinc/03/06/47/190030647.db2.gz SKUDIFVFQFTURI-CQSZACIVSA-N 1 1 298.390 1.084 40 0 CDABMO c1ccc2c(c1)nncc2NCCC[NH+]1CCOCC1 ZINC000041123488 379333722 /nfs/dbraw/zinc/33/37/22/379333722.db2.gz JZXAANOVPHAZJA-UHFFFAOYSA-N 1 1 272.352 1.764 40 0 CDABMO COc1c(C)ncnc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000656118587 413034345 /nfs/dbraw/zinc/03/43/45/413034345.db2.gz NDYXILQQKBSMPH-LLVKDONJSA-N 1 1 273.340 1.901 40 0 CDABMO Cn1cccc1C[NH+]1CC2(C1)CCN(c1ncccn1)C2 ZINC000096202572 256822355 /nfs/dbraw/zinc/82/23/55/256822355.db2.gz ADHKGFUVNXKJSS-UHFFFAOYSA-N 1 1 283.379 1.527 40 0 CDABMO CC[N@H+]1C[C@H](COC)[C@]2(CCN(C(=O)N3CCCC3)C2)C1 ZINC000096220035 256827561 /nfs/dbraw/zinc/82/75/61/256827561.db2.gz SBPUONZSYKMYOM-GDBMZVCRSA-N 1 1 295.427 1.492 40 0 CDABMO CN(Cc1cccnc1)C[C@@H]1CC[C@]2(C[NH2+]CCOC2)O1 ZINC000096160642 390947524 /nfs/dbraw/zinc/94/75/24/390947524.db2.gz ATCPTTQXVGVUEM-JKSUJKDBSA-N 1 1 291.395 1.051 40 0 CDABMO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)CN1CCCCC1 ZINC000257318771 391649944 /nfs/dbraw/zinc/64/99/44/391649944.db2.gz VPGKCNWQLUTTQH-RDJZCZTQSA-N 1 1 293.455 1.948 40 0 CDABMO C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)CN1CCCCC1 ZINC000257318771 391649949 /nfs/dbraw/zinc/64/99/49/391649949.db2.gz VPGKCNWQLUTTQH-RDJZCZTQSA-N 1 1 293.455 1.948 40 0 CDABMO C[N@H+]1CCC[C@H](CNC(=S)NCc2ccco2)C1 ZINC000009876506 170388097 /nfs/dbraw/zinc/38/80/97/170388097.db2.gz YEQARTZAKPVZCP-LLVKDONJSA-N 1 1 267.398 1.586 40 0 CDABMO O=C1NCC[NH2+][C@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000072343604 176372245 /nfs/dbraw/zinc/37/22/45/176372245.db2.gz QCDZZJNIHMYLRR-INIZCTEOSA-N 1 1 266.344 1.984 40 0 CDABMO NC(=O)C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000072350987 176373647 /nfs/dbraw/zinc/37/36/47/176373647.db2.gz NVCWQDVDKIKJFE-UHFFFAOYSA-N 1 1 252.289 1.154 40 0 CDABMO Cc1ccc([C@]2(O)CC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000072351008 176373779 /nfs/dbraw/zinc/37/37/79/176373779.db2.gz WZBKKKZYALKMFR-HNNXBMFYSA-N 1 1 257.337 1.812 40 0 CDABMO Cc1ccc([C@]2(O)CC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000072351008 176373781 /nfs/dbraw/zinc/37/37/81/176373781.db2.gz WZBKKKZYALKMFR-HNNXBMFYSA-N 1 1 257.337 1.812 40 0 CDABMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000072367994 176382931 /nfs/dbraw/zinc/38/29/31/176382931.db2.gz OLFSAZVBMYOZHI-ZDUSSCGKSA-N 1 1 264.373 1.158 40 0 CDABMO C[N@H+]1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000072383487 176388886 /nfs/dbraw/zinc/38/88/86/176388886.db2.gz CODUKAZUXXQVIE-LBPRGKRZSA-N 1 1 284.367 1.895 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc2cccnc21 ZINC000072397659 176394716 /nfs/dbraw/zinc/39/47/16/176394716.db2.gz QOLXLKGUIRIETM-XOKHGSTOSA-N 1 1 297.402 1.874 40 0 CDABMO CCOc1ccccc1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@H]1C ZINC000072397638 176394848 /nfs/dbraw/zinc/39/48/48/176394848.db2.gz YHFBDIDDXVRNDG-VNQPRFMTSA-N 1 1 290.407 1.725 40 0 CDABMO CCNC(=O)[C@@H]1CCC[N@H+]1C1(C(=O)NC)CCCCC1 ZINC000096113076 265330056 /nfs/dbraw/zinc/33/00/56/265330056.db2.gz OBWAFBHYMXFPIO-LBPRGKRZSA-N 1 1 281.400 1.036 40 0 biogenic,in-vitro CDABMO CN1CCN(C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000020220133 277103781 /nfs/dbraw/zinc/10/37/81/277103781.db2.gz QHCMAKHRJXKYCW-UHFFFAOYSA-N 1 1 251.418 1.641 40 0 CDABMO C[C@@H]1OC(=O)[C@H]2[C@H]1[N@H+]1CCc3ccccc3[C@@H]1C[C@@H]2O ZINC000016036786 279038881 /nfs/dbraw/zinc/03/88/81/279038881.db2.gz MPEJFJFZVUSBET-MKJLKUPLSA-N 1 1 273.332 1.281 40 0 CDABMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cn(C)nn1 ZINC000235228065 525819126 /nfs/dbraw/zinc/81/91/26/525819126.db2.gz BROGULXAPOOAFX-YPMHNXCESA-N 1 1 252.362 1.331 40 0 CDABMO CCNc1ncc(C2=[NH+]O[C@H](C(=O)OC(C)C)C2)cn1 ZINC000226080340 1160425553 /nfs/dbraw/zinc/42/55/53/1160425553.db2.gz TXNBBLSUSLCZTF-NSHDSACASA-N 1 1 278.312 1.353 40 0 CDABMO CCOc1ccc([C@@H]([NH3+])c2nc(C)n(C)n2)cc1OC ZINC000095534351 185006543 /nfs/dbraw/zinc/00/65/43/185006543.db2.gz VXGUJJJYWWCELM-CYBMUJFWSA-N 1 1 276.340 1.579 40 0 CDABMO c1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](CC2CC2)C3)nc1 ZINC000096048401 185073408 /nfs/dbraw/zinc/07/34/08/185073408.db2.gz DGERXOLUBVBWDX-GOEBONIOSA-N 1 1 288.395 1.922 40 0 CDABMO COC[C@H]1C[N@H+](Cc2cccnc2)Cc2cn(C)nc21 ZINC000096059817 185081454 /nfs/dbraw/zinc/08/14/54/185081454.db2.gz JFLLTZFBAMEODP-CQSZACIVSA-N 1 1 272.352 1.561 40 0 CDABMO COC[C@H]1C[N@@H+](Cc2cccnc2)Cc2cn(C)nc21 ZINC000096059817 185081455 /nfs/dbraw/zinc/08/14/55/185081455.db2.gz JFLLTZFBAMEODP-CQSZACIVSA-N 1 1 272.352 1.561 40 0 CDABMO Cn1nnc2c1[C@H](COCC1CC1)C[N@@H+](CC1CC1)C2 ZINC000096060721 185083100 /nfs/dbraw/zinc/08/31/00/185083100.db2.gz BJCIWIXYGGYKOH-ZDUSSCGKSA-N 1 1 276.384 1.551 40 0 CDABMO CCC[N@H+]1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccco1 ZINC000247972653 362142103 /nfs/dbraw/zinc/14/21/03/362142103.db2.gz DPKWKMFMBGRXIX-GZBFAFLISA-N 1 1 292.379 1.899 40 0 CDABMO C[N@@H+]1CCO[C@@](C)(C(=O)NCc2cccc(F)c2F)C1 ZINC000257330387 362587148 /nfs/dbraw/zinc/58/71/48/362587148.db2.gz XODSAVHGGYENDM-CQSZACIVSA-N 1 1 284.306 1.302 40 0 CDABMO C[N@H+]1CCO[C@@](C)(C(=O)NCc2cccc(F)c2F)C1 ZINC000257330387 362587149 /nfs/dbraw/zinc/58/71/49/362587149.db2.gz XODSAVHGGYENDM-CQSZACIVSA-N 1 1 284.306 1.302 40 0 CDABMO c1coc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C[C@H]2CCCO2)c1 ZINC000107745219 186188762 /nfs/dbraw/zinc/18/87/62/186188762.db2.gz VBZRHKXMFUQTDJ-OAGGEKHMSA-N 1 1 292.379 1.344 40 0 CDABMO c1coc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C[C@H]2CCCO2)c1 ZINC000107745219 186188764 /nfs/dbraw/zinc/18/87/64/186188764.db2.gz VBZRHKXMFUQTDJ-OAGGEKHMSA-N 1 1 292.379 1.344 40 0 CDABMO Cc1ccccc1C[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108535290 186222374 /nfs/dbraw/zinc/22/23/74/186222374.db2.gz BDKDBHZJXOSDSI-HOTGVXAUSA-N 1 1 260.381 1.900 40 0 CDABMO COC(=O)CC[N@H+]1CCN(Cc2cccn2C)[C@@H](C)C1 ZINC000154775424 351335795 /nfs/dbraw/zinc/33/57/95/351335795.db2.gz PIBYXKDUUXRAIY-ZDUSSCGKSA-N 1 1 279.384 1.094 40 0 CDABMO COC(=O)CCN1CC[N@H+](Cc2cccn2C)[C@@H](C)C1 ZINC000154775424 351335796 /nfs/dbraw/zinc/33/57/96/351335796.db2.gz PIBYXKDUUXRAIY-ZDUSSCGKSA-N 1 1 279.384 1.094 40 0 CDABMO COC(=O)CCN1CC[N@@H+](Cc2cccn2C)[C@@H](C)C1 ZINC000154775424 351335799 /nfs/dbraw/zinc/33/57/99/351335799.db2.gz PIBYXKDUUXRAIY-ZDUSSCGKSA-N 1 1 279.384 1.094 40 0 CDABMO C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000156571590 188269784 /nfs/dbraw/zinc/26/97/84/188269784.db2.gz HDCYVZHEHHPOQK-KBMXLJTQSA-N 1 1 298.390 1.993 40 0 CDABMO CCN(C[C@H]1CCC[N@H+]1CCO)C(=O)OC(C)(C)C ZINC000079407977 356991123 /nfs/dbraw/zinc/99/11/23/356991123.db2.gz ZTQBDYBNQBZWRD-GFCCVEGCSA-N 1 1 272.389 1.700 40 0 CDABMO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccs1 ZINC000096184377 358714170 /nfs/dbraw/zinc/71/41/70/358714170.db2.gz FPNZJRXFSWPQSE-KGLIPLIRSA-N 1 1 293.436 1.485 40 0 CDABMO c1cc(C[N@H+]2C[C@H]3CCN(c4cnccn4)C[C@H]3C2)n[nH]1 ZINC000096246223 358725346 /nfs/dbraw/zinc/72/53/46/358725346.db2.gz TXPOCHCOLVNAAX-CHWSQXEVSA-N 1 1 284.367 1.158 40 0 CDABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC(C)C)C[C@@H]32)C(=O)N1 ZINC000096261569 358729728 /nfs/dbraw/zinc/72/97/28/358729728.db2.gz NSVLRYKMRSIMNA-TYNCELHUSA-N 1 1 263.385 1.661 40 0 CDABMO CCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000053638907 366474431 /nfs/dbraw/zinc/47/44/31/366474431.db2.gz RSUXGMXZEBAMSL-UHFFFAOYSA-N 1 1 262.353 1.545 40 0 CDABMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000027356616 359485320 /nfs/dbraw/zinc/48/53/20/359485320.db2.gz YKSYXOUHZNRPLC-RWMBFGLXSA-N 1 1 293.411 1.875 40 0 CDABMO O[C@@H]1C[C@@H](c2nc(C3CC3)no2)[N@@H+](C2CCOCC2)C1 ZINC000015674803 360742886 /nfs/dbraw/zinc/74/28/86/360742886.db2.gz JXBUEMPKKMLUAY-NEPJUHHUSA-N 1 1 279.340 1.234 40 0 biogenic,in-vitro CDABMO O[C@@H]1C[C@@H](c2nc(C3CC3)no2)[N@H+](C2CCOCC2)C1 ZINC000015674803 360742889 /nfs/dbraw/zinc/74/28/89/360742889.db2.gz JXBUEMPKKMLUAY-NEPJUHHUSA-N 1 1 279.340 1.234 40 0 biogenic,in-vitro CDABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218478385 372869277 /nfs/dbraw/zinc/86/92/77/372869277.db2.gz PKVABHMPCAGJPH-KKUMJFAQSA-N 1 1 297.420 1.630 40 0 CDABMO COc1ccc(Cl)c(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000225400138 374287587 /nfs/dbraw/zinc/28/75/87/374287587.db2.gz APDWMRDKELUCHH-GHMZBOCLSA-N 1 1 271.744 1.276 40 0 CDABMO COc1ccc(Cl)c(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000225400138 374287594 /nfs/dbraw/zinc/28/75/94/374287594.db2.gz APDWMRDKELUCHH-GHMZBOCLSA-N 1 1 271.744 1.276 40 0 CDABMO C[C@@H]1Cc2ccccc2N1C(=O)CNCC[NH+](C)C ZINC000019498267 374743462 /nfs/dbraw/zinc/74/34/62/374743462.db2.gz ZTWZQALVMCFPGM-GFCCVEGCSA-N 1 1 261.369 1.115 40 0 CDABMO Cc1cccc(COCc2cnc3n2CC[NH2+][C@@H]3C)n1 ZINC000306131322 374969472 /nfs/dbraw/zinc/96/94/72/374969472.db2.gz KBWRRSSWIUFYNF-GFCCVEGCSA-N 1 1 272.352 1.968 40 0 CDABMO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccn(C)n3)C2)n1 ZINC000257223100 190014347 /nfs/dbraw/zinc/01/43/47/190014347.db2.gz DVWBAMDSSKXOQO-LBPRGKRZSA-N 1 1 259.357 1.831 40 0 CDABMO Cc1cccnc1C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257255665 190020446 /nfs/dbraw/zinc/02/04/46/190020446.db2.gz KIJSUFGULXWVTM-GJZGRUSLSA-N 1 1 262.353 1.506 40 0 CDABMO OCC[N@H+]1CCOC[C@H](Cc2cccc(F)c2)C1 ZINC000257264482 190023268 /nfs/dbraw/zinc/02/32/68/190023268.db2.gz LUOCDGBZAUMKJC-CYBMUJFWSA-N 1 1 253.317 1.309 40 0 CDABMO CNC(=O)c1cccc([C@H]2C[N@@H+](CC3CC3)CCN2C)c1 ZINC000257314546 190032468 /nfs/dbraw/zinc/03/24/68/190032468.db2.gz UXLAUYFIIHVWLB-MRXNPFEDSA-N 1 1 287.407 1.745 40 0 CDABMO Cn1nccc1C[N@@H+]1C[C@@H]2[C@H](Nc3cccnn3)CC[C@@H]2C1 ZINC000257319383 190033428 /nfs/dbraw/zinc/03/34/28/190033428.db2.gz VSEOEGCDMITETO-VHDGCEQUSA-N 1 1 298.394 1.533 40 0 CDABMO COc1c[nH]c(C[NH+]2CCN(c3ccccc3)CC2)cc1=O ZINC000041127950 379337614 /nfs/dbraw/zinc/33/76/14/379337614.db2.gz UPTLITDAZKFDOE-UHFFFAOYSA-N 1 1 299.374 1.706 40 0 CDABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)N(C)C)C2 ZINC000096217915 256825640 /nfs/dbraw/zinc/82/56/40/256825640.db2.gz AOCWUNHKCWGGLA-GOEBONIOSA-N 1 1 295.427 1.348 40 0 CDABMO CC(C)COC(=O)CC[C@H]([NH3+])C(=O)OCC(C)C ZINC000055124473 390488180 /nfs/dbraw/zinc/48/81/80/390488180.db2.gz RLVFZJURDMXLSL-NSHDSACASA-N 1 1 259.346 1.492 40 0 CDABMO CCS(=O)(=O)[C@@H](CO)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000096525206 390540031 /nfs/dbraw/zinc/54/00/31/390540031.db2.gz CSWJOJYMXIALKI-QWRGUYRKSA-N 1 1 277.773 1.135 40 0 CDABMO Fc1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC000096064007 390912265 /nfs/dbraw/zinc/91/22/65/390912265.db2.gz MJQUWVYTUTYDIQ-LSDHHAIUSA-N 1 1 299.353 1.864 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C)c1 ZINC000004497868 169973225 /nfs/dbraw/zinc/97/32/25/169973225.db2.gz MLRCYIBLWFRYGA-CQSZACIVSA-N 1 1 289.379 1.534 40 0 CDABMO Cn1c2ccccc2nc1NCCC[NH+]1CCOCC1 ZINC000006166987 170180191 /nfs/dbraw/zinc/18/01/91/170180191.db2.gz QAMVDSFCDYHBAX-UHFFFAOYSA-N 1 1 274.368 1.708 40 0 CDABMO Cc1ccccc1OC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020513215 171231506 /nfs/dbraw/zinc/23/15/06/171231506.db2.gz QCSLCAPTHHHNRT-KFWWJZLASA-N 1 1 279.380 1.844 40 0 CDABMO CC[NH+]1CCN(C(=O)Cc2cc(OC)ccc2OC)CC1 ZINC000022251081 171382444 /nfs/dbraw/zinc/38/24/44/171382444.db2.gz CIUHPNZOVAULML-UHFFFAOYSA-N 1 1 292.379 1.410 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1 ZINC000039975616 174180409 /nfs/dbraw/zinc/18/04/09/174180409.db2.gz JJRIQODIVOXHFY-CYBMUJFWSA-N 1 1 262.353 1.666 40 0 CDABMO CN(C)C(=O)CCc1cccc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072382831 176388194 /nfs/dbraw/zinc/38/81/94/176388194.db2.gz NJLHKSSETAOLMO-ZDUSSCGKSA-N 1 1 275.396 1.912 40 0 CDABMO CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079408202 277178898 /nfs/dbraw/zinc/17/88/98/277178898.db2.gz ZIAOAZWYGPMUNF-CYBMUJFWSA-N 1 1 284.400 1.843 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCCCC1 ZINC000339577702 279331478 /nfs/dbraw/zinc/33/14/78/279331478.db2.gz IDPHKBPTFHOWIN-ZDUSSCGKSA-N 1 1 281.400 1.036 40 0 CDABMO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000072794032 567903175 /nfs/dbraw/zinc/90/31/75/567903175.db2.gz FZSRRBQGIVWLOS-ZDUSSCGKSA-N 1 1 262.353 1.653 40 0 CDABMO [NH3+][C@@H](c1nc(-c2cnccn2)n[nH]1)c1ccccc1 ZINC000095533413 185005674 /nfs/dbraw/zinc/00/56/74/185005674.db2.gz REJWDNHMPKLSOW-LLVKDONJSA-N 1 1 252.281 1.310 40 0 CDABMO c1cnc(N2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)nc1 ZINC000096053746 185074933 /nfs/dbraw/zinc/07/49/33/185074933.db2.gz PJCHVWHHISTKCQ-GASCZTMLSA-N 1 1 281.363 1.440 40 0 CDABMO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1cnn(C)c1)C2 ZINC000096060138 185079992 /nfs/dbraw/zinc/07/99/92/185079992.db2.gz XOZZHIHTIKNFQM-CQSZACIVSA-N 1 1 289.383 1.382 40 0 CDABMO CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1cnn(C)c1)C2 ZINC000096060138 185079995 /nfs/dbraw/zinc/07/99/95/185079995.db2.gz XOZZHIHTIKNFQM-CQSZACIVSA-N 1 1 289.383 1.382 40 0 CDABMO c1cc(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1 ZINC000096072252 185088840 /nfs/dbraw/zinc/08/88/40/185088840.db2.gz UBIXTZMIMLQEPB-GJZGRUSLSA-N 1 1 277.368 1.570 40 0 CDABMO c1cc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1 ZINC000096072252 185088841 /nfs/dbraw/zinc/08/88/41/185088841.db2.gz UBIXTZMIMLQEPB-GJZGRUSLSA-N 1 1 277.368 1.570 40 0 CDABMO COCC[N@@H+]1CCO[C@H]2CN(C(=O)CC3CCCC3)C[C@H]21 ZINC000096081685 185090620 /nfs/dbraw/zinc/09/06/20/185090620.db2.gz GIYPLLCJOYXQMY-CABCVRRESA-N 1 1 296.411 1.125 40 0 CDABMO COCC[N@H+]1CCO[C@H]2CN(C(=O)CC3CCCC3)C[C@H]21 ZINC000096081685 185090621 /nfs/dbraw/zinc/09/06/21/185090621.db2.gz GIYPLLCJOYXQMY-CABCVRRESA-N 1 1 296.411 1.125 40 0 CDABMO Cc1ncc(C[N@H+]2CCC[C@@]3(CCNC3=O)CC2)cn1 ZINC000108530840 282150917 /nfs/dbraw/zinc/15/09/17/282150917.db2.gz BWOBBONMUYIXIO-OAHLLOKOSA-N 1 1 274.368 1.277 40 0 CDABMO CC[C@@H](C)[N@H+]1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099472 342212108 /nfs/dbraw/zinc/21/21/08/342212108.db2.gz MBXKHOHUZYIKIJ-DOMZBBRYSA-N 1 1 274.368 1.704 40 0 CDABMO CC(C)C[N@H+]1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099265 342212171 /nfs/dbraw/zinc/21/21/71/342212171.db2.gz AAOWIDOTTRSULI-HNNXBMFYSA-N 1 1 274.368 1.561 40 0 CDABMO CN(C)C(=O)CC[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000585276379 342256220 /nfs/dbraw/zinc/25/62/20/342256220.db2.gz NYFCYNPSOZBGQU-QGZVFWFLSA-N 1 1 290.407 1.882 40 0 CDABMO O[C@@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1Cc1ccccc1F ZINC000585278554 342257003 /nfs/dbraw/zinc/25/70/03/342257003.db2.gz OUOFXVCHGVLKGE-CZUORRHYSA-N 1 1 289.354 1.974 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1Cc1ccccc1F ZINC000585278554 342257004 /nfs/dbraw/zinc/25/70/04/342257004.db2.gz OUOFXVCHGVLKGE-CZUORRHYSA-N 1 1 289.354 1.974 40 0 CDABMO Cn1c2ccccc2cc(-c2noc(C[NH3+])n2)c1=O ZINC000049474319 362048573 /nfs/dbraw/zinc/04/85/73/362048573.db2.gz GBJGQNHGQHYFSD-UHFFFAOYSA-N 1 1 256.265 1.047 40 0 CDABMO COC(=O)[C@H]1[C@H]2CCC[N@H+]2C[C@@]12c1ccccc1NC2=O ZINC000036584759 356245077 /nfs/dbraw/zinc/24/50/77/356245077.db2.gz SACUHBGXWYEFEY-XJKCOSOUSA-N 1 1 286.331 1.144 40 0 CDABMO O=C(Cc1ccccc1F)NCCC[NH+]1CCOCC1 ZINC000047465813 357157873 /nfs/dbraw/zinc/15/78/73/357157873.db2.gz NRTKSGNYORKSPQ-UHFFFAOYSA-N 1 1 280.343 1.207 40 0 CDABMO O=C(N1CC2(C1)C[C@H](CO)C[N@H+]2CC1CC1)C1(F)CCC1 ZINC000585093809 358099116 /nfs/dbraw/zinc/09/91/16/358099116.db2.gz GXXJPEFWDDNBRO-ZDUSSCGKSA-N 1 1 296.386 1.184 40 0 CDABMO C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000082306849 358158503 /nfs/dbraw/zinc/15/85/03/358158503.db2.gz OYMGZDNJCSQZKY-GFCCVEGCSA-N 1 1 250.317 1.784 40 0 CDABMO C[NH+]1CCN(C(=O)COc2cccc3ccccc32)CC1 ZINC000019866500 358195768 /nfs/dbraw/zinc/19/57/68/358195768.db2.gz JQHDFUFSPLWSCR-UHFFFAOYSA-N 1 1 284.359 1.993 40 0 CDABMO C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161630 358711463 /nfs/dbraw/zinc/71/14/63/358711463.db2.gz XBCJMRRVTVSQLB-HGTKMLMNSA-N 1 1 285.391 1.628 40 0 CDABMO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3CCOC)o1 ZINC000096183833 358713317 /nfs/dbraw/zinc/71/33/17/358713317.db2.gz PGWBCDZUHVHRLB-CABCVRRESA-N 1 1 292.379 1.664 40 0 CDABMO CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3CCOC)o1 ZINC000096183833 358713318 /nfs/dbraw/zinc/71/33/18/358713318.db2.gz PGWBCDZUHVHRLB-CABCVRRESA-N 1 1 292.379 1.664 40 0 CDABMO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3CC(C)C)no1 ZINC000096184289 358714071 /nfs/dbraw/zinc/71/40/71/358714071.db2.gz UZTHHOCUVZNPJZ-UONOGXRCSA-N 1 1 277.368 1.928 40 0 CDABMO CN(C)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200855 358717998 /nfs/dbraw/zinc/71/79/98/358717998.db2.gz FBMUHANHWAJSKQ-ZACQAIPSSA-N 1 1 289.423 1.665 40 0 CDABMO COCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC000096202762 358718981 /nfs/dbraw/zinc/71/89/81/358718981.db2.gz LEMLMPVQTDFCDW-UHFFFAOYSA-N 1 1 280.393 1.429 40 0 CDABMO Cn1cc(N2C[C@@H]3C[N@@H+](Cc4ccco4)C[C@@H]3C2=O)cn1 ZINC000096245240 358725708 /nfs/dbraw/zinc/72/57/08/358725708.db2.gz UODQXUYRBIKKEW-FZMZJTMJSA-N 1 1 286.335 1.108 40 0 CDABMO CC(C)Nc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](C)CC2 ZINC000096260444 358729469 /nfs/dbraw/zinc/72/94/69/358729469.db2.gz WJHQSEXEQWUVCG-UHFFFAOYSA-N 1 1 290.411 1.634 40 0 CDABMO CSc1ccc(OCC[N@@H+](C)[C@H]2CCN(C)C2=O)cc1 ZINC000075752574 360359823 /nfs/dbraw/zinc/35/98/23/360359823.db2.gz YLDXFHCQJLUTIN-AWEZNQCLSA-N 1 1 294.420 1.950 40 0 CDABMO Nc1ncc2c(n1)-c1ccccc1O[C@H]2[NH2+]C1CC1 ZINC000031872222 283695765 /nfs/dbraw/zinc/69/57/65/283695765.db2.gz OWALIUZJENNSDY-CYBMUJFWSA-N 1 1 254.293 1.869 40 0 CDABMO O=C(C1CC[NH2+]CC1)N1CCNC[C@H]1c1ccccc1 ZINC000169815650 283762038 /nfs/dbraw/zinc/76/20/38/283762038.db2.gz DELNFBCRHJOYBI-HNNXBMFYSA-N 1 1 273.380 1.159 40 0 CDABMO C[NH+]1CCN(C[C@@H](O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000041689822 372948862 /nfs/dbraw/zinc/94/88/62/372948862.db2.gz PIGQYKSQFRACBT-AIANPOQGSA-N 1 1 296.455 1.784 40 0 CDABMO CC(C)[N@H+]1CCCC[C@H]1CN1CCNC(=O)C1(C)C ZINC000334329706 374915163 /nfs/dbraw/zinc/91/51/63/374915163.db2.gz OIDIHDSNCDSPAD-ZDUSSCGKSA-N 1 1 267.417 1.460 40 0 CDABMO Cn1cncc1C[N@@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257235229 190017045 /nfs/dbraw/zinc/01/70/45/190017045.db2.gz GWYYDCVKGAUJST-HUUCEWRRSA-N 1 1 291.326 1.183 40 0 CDABMO Cn1cncc1C[N@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257235229 190017046 /nfs/dbraw/zinc/01/70/46/190017046.db2.gz GWYYDCVKGAUJST-HUUCEWRRSA-N 1 1 291.326 1.183 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1Oc1ccccc1 ZINC000257234195 190017079 /nfs/dbraw/zinc/01/70/79/190017079.db2.gz GSNKWFUMZYNFKP-HZPDHXFCSA-N 1 1 270.332 1.706 40 0 CDABMO CCn1cc(C[N@H+]2CC[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257263752 190022244 /nfs/dbraw/zinc/02/22/44/190022244.db2.gz LRHGHAMJOYBGAB-ZDUSSCGKSA-N 1 1 259.357 1.924 40 0 CDABMO O[C@H]1CC[N@H+](Cc2ncccc2F)CC[C@@H]1n1ccnc1 ZINC000257263782 190022533 /nfs/dbraw/zinc/02/25/33/190022533.db2.gz LRKMAQCIPIJRPI-GJZGRUSLSA-N 1 1 290.342 1.615 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2ncccc2F)CC[C@@H]1n1ccnc1 ZINC000257263782 190022534 /nfs/dbraw/zinc/02/25/34/190022534.db2.gz LRKMAQCIPIJRPI-GJZGRUSLSA-N 1 1 290.342 1.615 40 0 CDABMO C[N@@H+]1CCO[C@@](C)(C(=O)NCc2cccc(Cl)c2)C1 ZINC000257300665 190029926 /nfs/dbraw/zinc/02/99/26/190029926.db2.gz RVFVFDHBNGJLNP-CQSZACIVSA-N 1 1 282.771 1.677 40 0 CDABMO C[N@H+]1CCO[C@@](C)(C(=O)NCc2cccc(Cl)c2)C1 ZINC000257300665 190029927 /nfs/dbraw/zinc/02/99/27/190029927.db2.gz RVFVFDHBNGJLNP-CQSZACIVSA-N 1 1 282.771 1.677 40 0 CDABMO O=C1CO[C@H]2C[N@H+](C3CCC3)C[C@H]2N1c1ccccc1 ZINC000067897047 296341117 /nfs/dbraw/zinc/34/11/17/296341117.db2.gz IKAQBHCIIIPTBB-CABCVRRESA-N 1 1 272.348 1.655 40 0 biogenic,in-vitro CDABMO CCOC[C@@]1([NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc(F)cc1 ZINC000252515246 256690016 /nfs/dbraw/zinc/69/00/16/256690016.db2.gz HZUADBQIHGETLA-UPJWGTAASA-N 1 1 287.356 1.070 40 0 CDABMO CC[N@@H+]1CCC[C@H]1CNCc1cnc(SC)nc1 ZINC000062718340 256720958 /nfs/dbraw/zinc/72/09/58/256720958.db2.gz KXLCRBFJPLWUBR-LBPRGKRZSA-N 1 1 266.414 1.772 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNCc1cnc(SC)nc1 ZINC000062718340 256720959 /nfs/dbraw/zinc/72/09/59/256720959.db2.gz KXLCRBFJPLWUBR-LBPRGKRZSA-N 1 1 266.414 1.772 40 0 CDABMO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@H]21 ZINC000096249492 256834067 /nfs/dbraw/zinc/83/40/67/256834067.db2.gz JEBNGVPJHDYRET-CABCVRRESA-N 1 1 277.368 1.226 40 0 CDABMO CC(C)[N@H+]1CCOC[C@@]2(CN(CC3CC3)CCO2)C1 ZINC000096049758 390912494 /nfs/dbraw/zinc/91/24/94/390912494.db2.gz DEYWVAAANHORRH-OAHLLOKOSA-N 1 1 268.401 1.208 40 0 CDABMO CC(C)N1CCOC[C@@]2(C[N@H+](CC3CC3)CCO2)C1 ZINC000096049758 390912496 /nfs/dbraw/zinc/91/24/96/390912496.db2.gz DEYWVAAANHORRH-OAHLLOKOSA-N 1 1 268.401 1.208 40 0 CDABMO CC(C)N1CCOC[C@@]2(C[N@@H+](CC3CC3)CCO2)C1 ZINC000096049758 390912497 /nfs/dbraw/zinc/91/24/97/390912497.db2.gz DEYWVAAANHORRH-OAHLLOKOSA-N 1 1 268.401 1.208 40 0 CDABMO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000022585663 171392539 /nfs/dbraw/zinc/39/25/39/171392539.db2.gz NBSBWUKBMNYYMQ-LBPRGKRZSA-N 1 1 277.368 1.270 40 0 CDABMO COc1ncc(C[N@H+]2CCC[C@H](c3n[nH]cc3C)C2)cn1 ZINC000072386215 176391729 /nfs/dbraw/zinc/39/17/29/176391729.db2.gz HMWQHTLEAORXJW-ZDUSSCGKSA-N 1 1 287.367 1.896 40 0 CDABMO Cc1cccc(C[C@@H]2COCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000072388160 176393451 /nfs/dbraw/zinc/39/34/51/176393451.db2.gz SNJLXZYYVHZRHA-AWEZNQCLSA-N 1 1 286.379 1.804 40 0 CDABMO Cc1cccc(C[C@@H]2COCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000072388160 176393452 /nfs/dbraw/zinc/39/34/52/176393452.db2.gz SNJLXZYYVHZRHA-AWEZNQCLSA-N 1 1 286.379 1.804 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(F)c(F)c1 ZINC000072397605 176395084 /nfs/dbraw/zinc/39/50/84/176395084.db2.gz CRZXLNYGXHEUCK-WCFLWFBJSA-N 1 1 282.334 1.604 40 0 CDABMO C[N@@H+](CCNC(=O)N1CCSCC1)C1CCCC1 ZINC000078519063 177349496 /nfs/dbraw/zinc/34/94/96/177349496.db2.gz YNDSPZSPYBVVRX-UHFFFAOYSA-N 1 1 271.430 1.619 40 0 CDABMO CNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000108535041 277008570 /nfs/dbraw/zinc/00/85/70/277008570.db2.gz WWXJGNFSFMFEPB-ZFWWWQNUSA-N 1 1 276.384 1.158 40 0 CDABMO C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306137021 277200171 /nfs/dbraw/zinc/20/01/71/277200171.db2.gz QJDIPSTZVXQNOK-VXGBXAGGSA-N 1 1 297.362 1.264 40 0 CDABMO C[N@@H+]1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306137018 277206791 /nfs/dbraw/zinc/20/67/91/277206791.db2.gz QJDIPSTZVXQNOK-NEPJUHHUSA-N 1 1 297.362 1.264 40 0 CDABMO NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000225775491 295047047 /nfs/dbraw/zinc/04/70/47/295047047.db2.gz KRVJKVNDFQCRJG-MRVPVSSYSA-N 1 1 250.264 1.526 40 0 CDABMO NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000225775491 295047048 /nfs/dbraw/zinc/04/70/48/295047048.db2.gz KRVJKVNDFQCRJG-MRVPVSSYSA-N 1 1 250.264 1.526 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)cn1 ZINC000096046113 185071598 /nfs/dbraw/zinc/07/15/98/185071598.db2.gz LKAADIPSCZBPSH-NUEKZKHPSA-N 1 1 299.378 1.562 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)cn1 ZINC000096046113 185071599 /nfs/dbraw/zinc/07/15/99/185071599.db2.gz LKAADIPSCZBPSH-NUEKZKHPSA-N 1 1 299.378 1.562 40 0 CDABMO C[N@H+]1CCC[C@@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049062 185073133 /nfs/dbraw/zinc/07/31/33/185073133.db2.gz QYYDLRCTHQLXTR-AWEZNQCLSA-N 1 1 250.342 1.576 40 0 CDABMO CCn1cc2c(n1)[C@@H](COC)C[N@@H+](Cc1cnn(C)c1)C2 ZINC000096059877 185081730 /nfs/dbraw/zinc/08/17/30/185081730.db2.gz BMNRAPBBZOEOCW-CQSZACIVSA-N 1 1 289.383 1.382 40 0 CDABMO CCn1cc2c(n1)[C@@H](COC)C[N@H+](Cc1cnn(C)c1)C2 ZINC000096059877 185081731 /nfs/dbraw/zinc/08/17/31/185081731.db2.gz BMNRAPBBZOEOCW-CQSZACIVSA-N 1 1 289.383 1.382 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096065466 185084521 /nfs/dbraw/zinc/08/45/21/185084521.db2.gz FRXGJRQEYCFMJV-IHRRRGAJSA-N 1 1 278.352 1.347 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096065466 185084523 /nfs/dbraw/zinc/08/45/23/185084523.db2.gz FRXGJRQEYCFMJV-IHRRRGAJSA-N 1 1 278.352 1.347 40 0 CDABMO CO[C@@H]1CC[N@@H+](CC(=O)N(C)C)[C@H]1Cc1ccccc1 ZINC000096069813 185086048 /nfs/dbraw/zinc/08/60/48/185086048.db2.gz WTYHVSUIVJPQDI-LSDHHAIUSA-N 1 1 276.380 1.407 40 0 CDABMO Cn1cc(C[N@H+]2CCc3ncnc(NC4CC4)c3CC2)cn1 ZINC000096084023 185092908 /nfs/dbraw/zinc/09/29/08/185092908.db2.gz JJXPQTLSJDFSNB-UHFFFAOYSA-N 1 1 298.394 1.385 40 0 CDABMO CC(=O)N1CC2(C1)C[C@H](COc1ccccn1)CC[N@@H+]2C ZINC000585103262 342212740 /nfs/dbraw/zinc/21/27/40/342212740.db2.gz SNUDTQFRZGGFRM-CQSZACIVSA-N 1 1 289.379 1.403 40 0 CDABMO Cc1cccc(N2CCC[C@H](NC(=O)c3ccnn3C)C2)[nH+]1 ZINC000257338911 362587086 /nfs/dbraw/zinc/58/70/86/362587086.db2.gz YZKLDHBJBYJHTL-ZDUSSCGKSA-N 1 1 299.378 1.522 40 0 CDABMO c1cncc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000096110687 348741730 /nfs/dbraw/zinc/74/17/30/348741730.db2.gz ZMTYQXUKEAIMMR-IAGOWNOFSA-N 1 1 287.407 1.767 40 0 CDABMO CO[C@H]1CO[C@@]2(CC[N@@H+](Cc3cccc(C)n3)C2)C1 ZINC000107225662 186163281 /nfs/dbraw/zinc/16/32/81/186163281.db2.gz FRKPEGTYIDCTHY-CABCVRRESA-N 1 1 262.353 1.770 40 0 CDABMO S=C(N[NH+]=C1NCCCCN1)Nc1ccccc1 ZINC000001645680 355944506 /nfs/dbraw/zinc/94/45/06/355944506.db2.gz YPEOGSZCZINNHX-UHFFFAOYSA-N 1 1 263.370 1.217 40 0 CDABMO CCOC(=O)[C@H]([NH3+])CCP(=O)(OCC)OCC ZINC000015020457 356241975 /nfs/dbraw/zinc/24/19/75/356241975.db2.gz CZRINUITHMSEIB-SECBINFHSA-N 1 1 267.262 1.533 40 0 CDABMO COCC[N@H+]1CC[C@@H](OC(C)=O)[C@@H]2CCCC[C@@H]21 ZINC000015319285 356413177 /nfs/dbraw/zinc/41/31/77/356413177.db2.gz COHAZZNQVVNWKS-HZSPNIEDSA-N 1 1 255.358 1.829 40 0 CDABMO O[C@H]1CCC[N@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000019291900 356479758 /nfs/dbraw/zinc/47/97/58/356479758.db2.gz ZTCUQHBRVJZDHX-AWEZNQCLSA-N 1 1 276.384 1.424 40 0 CDABMO O[C@H]1CCC[N@@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000019291900 356479761 /nfs/dbraw/zinc/47/97/61/356479761.db2.gz ZTCUQHBRVJZDHX-AWEZNQCLSA-N 1 1 276.384 1.424 40 0 CDABMO NC(=O)CC[N@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000019376625 356483944 /nfs/dbraw/zinc/48/39/44/356483944.db2.gz YNNYGEDCBGYQTQ-NSHDSACASA-N 1 1 289.335 1.107 40 0 CDABMO CCCc1cc(CNC(=O)C[N@H+]2CCC[C@@H](C)C2)on1 ZINC000019525436 356489515 /nfs/dbraw/zinc/48/95/15/356489515.db2.gz UUXOKHBPOOLXFD-GFCCVEGCSA-N 1 1 279.384 1.975 40 0 CDABMO CC[C@H](OC[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000022030800 356598104 /nfs/dbraw/zinc/59/81/04/356598104.db2.gz CPMNUFSZWYXFOX-SJORKVTESA-N 1 1 292.423 1.763 40 0 CDABMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391649 356988163 /nfs/dbraw/zinc/98/81/63/356988163.db2.gz DTTWTJTZTGLXCU-OAHLLOKOSA-N 1 1 292.379 1.712 40 0 CDABMO c1cc2n(n1)C[C@@H](COCC1CC1)C[N@@H+]([C@@H]1CCOC1)C2 ZINC000096189126 358714889 /nfs/dbraw/zinc/71/48/89/358714889.db2.gz YVKSCWZGGJNTKH-GOEBONIOSA-N 1 1 291.395 1.530 40 0 CDABMO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000096187380 358714967 /nfs/dbraw/zinc/71/49/67/358714967.db2.gz FXKRVLVWXWBFFV-UHFFFAOYSA-N 1 1 284.363 1.670 40 0 CDABMO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000096187380 358714968 /nfs/dbraw/zinc/71/49/68/358714968.db2.gz FXKRVLVWXWBFFV-UHFFFAOYSA-N 1 1 284.363 1.670 40 0 CDABMO COCCN1CC[N@@H+](C[C@@H]2CCOC2)Cc2cccnc21 ZINC000096198868 358717394 /nfs/dbraw/zinc/71/73/94/358717394.db2.gz ACFLJYBPHMKKNZ-AWEZNQCLSA-N 1 1 291.395 1.387 40 0 CDABMO O=C(NCC1CC1)[C@@H]1C[C@H]2OCC[N@@H+](CC3CC3)[C@@H]2C1 ZINC000096251676 358726721 /nfs/dbraw/zinc/72/67/21/358726721.db2.gz SFZDIZAQLUYLGL-RRFJBIMHSA-N 1 1 278.396 1.402 40 0 CDABMO C[NH2+][C@@H](C(N)=O)c1cc(Br)ccc1F ZINC000037869886 359462607 /nfs/dbraw/zinc/46/26/07/359462607.db2.gz AGTOHMOOXRGRLT-MRVPVSSYSA-N 1 1 261.094 1.334 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000339470980 371920756 /nfs/dbraw/zinc/92/07/56/371920756.db2.gz KQWCSSHIRQMCBG-MCIONIFRSA-N 1 1 295.427 1.282 40 0 CDABMO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](n3ccnn3)C2)o1 ZINC000333418539 205303641 /nfs/dbraw/zinc/30/36/41/205303641.db2.gz RGQKYYMNOYIGTR-VXGBXAGGSA-N 1 1 261.329 1.973 40 0 CDABMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](n3ccnn3)C2)o1 ZINC000333418539 205303645 /nfs/dbraw/zinc/30/36/45/205303645.db2.gz RGQKYYMNOYIGTR-VXGBXAGGSA-N 1 1 261.329 1.973 40 0 CDABMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc3ccoc32)C1 ZINC000333463268 205342875 /nfs/dbraw/zinc/34/28/75/205342875.db2.gz UZZKWBMGESNEGA-LLVKDONJSA-N 1 1 280.349 1.415 40 0 CDABMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc3ccoc32)C1 ZINC000333463268 205342880 /nfs/dbraw/zinc/34/28/80/205342880.db2.gz UZZKWBMGESNEGA-LLVKDONJSA-N 1 1 280.349 1.415 40 0 CDABMO O=c1[nH]c([C@H]2CC[NH2+]C2)nc2c1CCN(C1CCCC1)C2 ZINC000257335472 374421624 /nfs/dbraw/zinc/42/16/24/374421624.db2.gz YKGNIHMLFPJZHF-NSHDSACASA-N 1 1 288.395 1.560 40 0 CDABMO COCC[N@H+]1CC[C@@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC000306124402 374968425 /nfs/dbraw/zinc/96/84/25/374968425.db2.gz BOTQCHMKWAFTCY-VXGBXAGGSA-N 1 1 281.381 1.078 40 0 CDABMO NC(=O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000225724732 375191955 /nfs/dbraw/zinc/19/19/55/375191955.db2.gz HYJLDJQDAZNLNH-SECBINFHSA-N 1 1 285.141 1.348 40 0 CDABMO c1cc(CC[C@@H]2C[N@H+](C3CCOCC3)CCO2)ncn1 ZINC000257205497 190011497 /nfs/dbraw/zinc/01/14/97/190011497.db2.gz AZIWDGJCPKWNPP-OAHLLOKOSA-N 1 1 277.368 1.289 40 0 CDABMO C[NH+](C)Cc1cncc([C@@H]2CCCN2Cc2cc[nH]n2)n1 ZINC000257204768 190011808 /nfs/dbraw/zinc/01/18/08/190011808.db2.gz AWFDJDAEFWCSMQ-HNNXBMFYSA-N 1 1 286.383 1.598 40 0 CDABMO Cn1ccnc1C[N@@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257211132 190011957 /nfs/dbraw/zinc/01/19/57/190011957.db2.gz BXPLFSDAZLIMSI-LBPRGKRZSA-N 1 1 259.357 1.598 40 0 CDABMO Cn1ccnc1C[N@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257211132 190011958 /nfs/dbraw/zinc/01/19/58/190011958.db2.gz BXPLFSDAZLIMSI-LBPRGKRZSA-N 1 1 259.357 1.598 40 0 CDABMO Cc1nc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)cc(=O)[nH]1 ZINC000257241328 190018258 /nfs/dbraw/zinc/01/82/58/190018258.db2.gz HXQQYSHIULSKMN-ZDUSSCGKSA-N 1 1 279.340 1.043 40 0 CDABMO Cc1nc([C@@H]2C[N@H+](C3CCOCC3)CCO2)cc(=O)[nH]1 ZINC000257241328 190018259 /nfs/dbraw/zinc/01/82/59/190018259.db2.gz HXQQYSHIULSKMN-ZDUSSCGKSA-N 1 1 279.340 1.043 40 0 CDABMO C[N@H+]1CCC[C@@H]1c1ccnc(C(=O)NCc2ccnnc2)c1 ZINC000257248903 190020110 /nfs/dbraw/zinc/02/01/10/190020110.db2.gz JFTKQGNVYYAWOX-OAHLLOKOSA-N 1 1 297.362 1.568 40 0 CDABMO CCOCCN1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257264572 190022866 /nfs/dbraw/zinc/02/28/66/190022866.db2.gz LVBLQWWWXMEIJB-INIZCTEOSA-N 1 1 293.411 1.866 40 0 CDABMO CCc1nc(C)c(C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)[nH]1 ZINC000257268100 190024150 /nfs/dbraw/zinc/02/41/50/190024150.db2.gz MKEXPVDRQPMAKI-ZFWWWQNUSA-N 1 1 279.384 1.396 40 0 CDABMO CCc1nc(C)c(C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)[nH]1 ZINC000257268100 190024151 /nfs/dbraw/zinc/02/41/51/190024151.db2.gz MKEXPVDRQPMAKI-ZFWWWQNUSA-N 1 1 279.384 1.396 40 0 CDABMO FC(F)(F)CC[N@H+]1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257299301 190029358 /nfs/dbraw/zinc/02/93/58/190029358.db2.gz RPMLCZHINJPPGJ-NSHDSACASA-N 1 1 289.301 1.920 40 0 CDABMO COC[C@H]1CCC2(CCN(c3ncccn3)CC2)[N@H+]1C ZINC000096207144 390913475 /nfs/dbraw/zinc/91/34/75/390913475.db2.gz IYGDPIFQQDNDQH-CYBMUJFWSA-N 1 1 276.384 1.556 40 0 CDABMO COCCN1CC[N@@H+]([C@@H]2CCOC2)Cc2ccc(C)nc21 ZINC000096069230 398069587 /nfs/dbraw/zinc/06/95/87/398069587.db2.gz ZJDAPAHAGRORSE-OAHLLOKOSA-N 1 1 291.395 1.447 40 0 CDABMO COCCN1CC[N@H+]([C@@H]2CCOC2)Cc2ccc(C)nc21 ZINC000096069230 398069589 /nfs/dbraw/zinc/06/95/89/398069589.db2.gz ZJDAPAHAGRORSE-OAHLLOKOSA-N 1 1 291.395 1.447 40 0 CDABMO C[C@H](C(=O)Nc1ccccc1F)N1CC[NH+](C)CC1 ZINC000022585675 171392600 /nfs/dbraw/zinc/39/26/00/171392600.db2.gz YKEZDHNVVCHLTE-LLVKDONJSA-N 1 1 265.332 1.400 40 0 CDABMO C[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000022795559 171399508 /nfs/dbraw/zinc/39/95/08/171399508.db2.gz IYAIAZDBDVNNAF-UHFFFAOYSA-N 1 1 251.305 1.012 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2[nH]c1=O ZINC000040039603 174184163 /nfs/dbraw/zinc/18/41/63/174184163.db2.gz ROOQIVWHRMULLO-ZDUSSCGKSA-N 1 1 299.374 1.742 40 0 CDABMO c1cn(-c2cncc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cn1 ZINC000072355618 176375209 /nfs/dbraw/zinc/37/52/09/176375209.db2.gz NSEAICKWZIWNCP-HNNXBMFYSA-N 1 1 299.378 1.978 40 0 CDABMO OCC[N@H+]1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072383045 176388426 /nfs/dbraw/zinc/38/84/26/176388426.db2.gz KCRZOXYDBWSMNN-CYBMUJFWSA-N 1 1 299.378 1.787 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccccc1Cl ZINC000072397583 176394729 /nfs/dbraw/zinc/39/47/29/176394729.db2.gz GVAKMIRFGJFDNU-FPMFFAJLSA-N 1 1 280.799 1.979 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc(F)cc(F)c1 ZINC000072397680 176395202 /nfs/dbraw/zinc/39/52/02/176395202.db2.gz WQIPPZZZQOEEBA-VCTAVGKDSA-N 1 1 282.334 1.604 40 0 CDABMO C[N@H+]1CCC[C@@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087386 423938891 /nfs/dbraw/zinc/93/88/91/423938891.db2.gz LNEZLZQNIHGLNV-SFHVURJKSA-N 1 1 299.418 1.983 40 0 CDABMO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3C)n2)cc1F ZINC000015675044 482524655 /nfs/dbraw/zinc/52/46/55/482524655.db2.gz GQXUTVSDCIFFAV-PWSUYJOCSA-N 1 1 277.299 1.922 40 0 biogenic,in-vitro CDABMO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3C)n2)cc1F ZINC000015675044 482524660 /nfs/dbraw/zinc/52/46/60/482524660.db2.gz GQXUTVSDCIFFAV-PWSUYJOCSA-N 1 1 277.299 1.922 40 0 biogenic,in-vitro CDABMO O=C1[C@H]2C[N@@H+](CC3CC3)C[C@H]2CN1c1ccccc1 ZINC000096053634 185074244 /nfs/dbraw/zinc/07/42/44/185074244.db2.gz NSADLTMRCYRNED-ZFWWWQNUSA-N 1 1 256.349 1.991 40 0 CDABMO CN(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053912 185076572 /nfs/dbraw/zinc/07/65/72/185076572.db2.gz DDLZWKLCCKHDCY-OKILXGFUSA-N 1 1 291.370 1.871 40 0 CDABMO c1cc(CN2CCO[C@H]3C[N@H+](CC4CCC4)C[C@H]32)ccn1 ZINC000096081739 185091436 /nfs/dbraw/zinc/09/14/36/185091436.db2.gz MVFHERLDRVHJAR-SJORKVTESA-N 1 1 287.407 1.767 40 0 CDABMO Cc1cc(CN2C[C@@H]3C[N@@H+](CC(C)C)CCO[C@@H]3C2)no1 ZINC000096107974 185100258 /nfs/dbraw/zinc/10/02/58/185100258.db2.gz DOMCQZKQBYXKJF-GOEBONIOSA-N 1 1 293.411 1.772 40 0 CDABMO COC[C@]12COC[C@H]1C[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096108622 185100355 /nfs/dbraw/zinc/10/03/55/185100355.db2.gz ANLUBALTMJTMRM-GDBMZVCRSA-N 1 1 277.364 1.790 40 0 CDABMO CCC(CC)C(=O)N1CC[C@@]2(CC[N@H+]2CCOC)C1 ZINC000096075964 282149609 /nfs/dbraw/zinc/14/96/09/282149609.db2.gz SYDFNILOEUIRQG-OAHLLOKOSA-N 1 1 268.401 1.746 40 0 CDABMO CC(C)N1C[C@]2(CCC[N@H+](Cc3nccn3C)C2)C1=O ZINC000585099649 342212274 /nfs/dbraw/zinc/21/22/74/342212274.db2.gz UQSPZNJILNSHDR-OAHLLOKOSA-N 1 1 276.384 1.253 40 0 CDABMO CC(C)N1C[C@]2(CCC[N@@H+](Cc3nccn3C)C2)C1=O ZINC000585099649 342212275 /nfs/dbraw/zinc/21/22/75/342212275.db2.gz UQSPZNJILNSHDR-OAHLLOKOSA-N 1 1 276.384 1.253 40 0 CDABMO CCCC[N@H+]1CCC[C@@]2(CC(C(=O)NCCC)=NO2)C1 ZINC000585101152 342212390 /nfs/dbraw/zinc/21/23/90/342212390.db2.gz JZPWJYDCECURRH-OAHLLOKOSA-N 1 1 281.400 1.924 40 0 CDABMO C[N@H+]1CCCCC12CCN(C(=O)c1cc[nH]n1)CC2 ZINC000585102471 342212612 /nfs/dbraw/zinc/21/26/12/342212612.db2.gz VQRKONHFFROHBT-UHFFFAOYSA-N 1 1 262.357 1.500 40 0 CDABMO C[N@@H+]1CCCCC12CCN(C(=O)c1ccn[nH]1)CC2 ZINC000585102471 342212613 /nfs/dbraw/zinc/21/26/13/342212613.db2.gz VQRKONHFFROHBT-UHFFFAOYSA-N 1 1 262.357 1.500 40 0 CDABMO C[N@H+]1CCCCC12CCN(C(=O)c1ccn[nH]1)CC2 ZINC000585102471 342212614 /nfs/dbraw/zinc/21/26/14/342212614.db2.gz VQRKONHFFROHBT-UHFFFAOYSA-N 1 1 262.357 1.500 40 0 CDABMO CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)c1)C2 ZINC000585103427 342212701 /nfs/dbraw/zinc/21/27/01/342212701.db2.gz CFNXTBANYRJVDD-INIZCTEOSA-N 1 1 292.354 1.506 40 0 CDABMO COCC[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)noc3C)[C@@H]2C1 ZINC000585107668 342212986 /nfs/dbraw/zinc/21/29/86/342212986.db2.gz NOGZLSWUBBWLDB-QWHCGFSZSA-N 1 1 293.367 1.084 40 0 CDABMO CNC(=O)C[C@@H]1C[N@H+](C2CCCCC2)CC[C@H]1OC ZINC000585275201 342256124 /nfs/dbraw/zinc/25/61/24/342256124.db2.gz ZYZUNIZJFXRUHX-TZMCWYRMSA-N 1 1 268.401 1.792 40 0 CDABMO CNC(=O)C[C@]1(COC)CCC[N@H+]1Cc1ccc(C)nc1 ZINC000585276488 342256424 /nfs/dbraw/zinc/25/64/24/342256424.db2.gz PAYALVUKHIRSKH-INIZCTEOSA-N 1 1 291.395 1.507 40 0 CDABMO O=C(C[N@H+]1CCCCC[C@@H]1c1ccco1)N1CCNC1=O ZINC000076804179 362106271 /nfs/dbraw/zinc/10/62/71/362106271.db2.gz KFVICTNTLDFOBW-GFCCVEGCSA-N 1 1 291.351 1.749 40 0 CDABMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000079097508 362141562 /nfs/dbraw/zinc/14/15/62/362141562.db2.gz PNRBYJWFJMKGFS-OAHLLOKOSA-N 1 1 296.436 1.589 40 0 CDABMO COCC[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000107785547 186190685 /nfs/dbraw/zinc/19/06/85/186190685.db2.gz QFUGTLDKZSMHCV-CABCVRRESA-N 1 1 278.352 1.340 40 0 CDABMO CCCc1cc(CNC(=O)C[N@H+]2CCC[C@H](C)C2)on1 ZINC000019525437 356489885 /nfs/dbraw/zinc/48/98/85/356489885.db2.gz UUXOKHBPOOLXFD-LBPRGKRZSA-N 1 1 279.384 1.975 40 0 CDABMO CC(=O)O[C@H](C(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000031689382 356768325 /nfs/dbraw/zinc/76/83/25/356768325.db2.gz LDAMOQZLPXJJTF-AWEZNQCLSA-N 1 1 276.336 1.065 40 0 CDABMO C[C@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000075837442 356944372 /nfs/dbraw/zinc/94/43/72/356944372.db2.gz VMDZXINKFCTKOC-JONQDZQNSA-N 1 1 282.428 1.333 40 0 CDABMO CC[N@H+](CC(=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393374 356989306 /nfs/dbraw/zinc/98/93/06/356989306.db2.gz AFIMQSUSIMGKTK-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO CC[NH+](CC(=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393374 356989310 /nfs/dbraw/zinc/98/93/10/356989310.db2.gz AFIMQSUSIMGKTK-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO CC[NH+](CC(=O)[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393374 356989314 /nfs/dbraw/zinc/98/93/14/356989314.db2.gz AFIMQSUSIMGKTK-HNNXBMFYSA-N 1 1 276.380 1.915 40 0 CDABMO CCN(CCO)C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393505 356990115 /nfs/dbraw/zinc/99/01/15/356990115.db2.gz LOGMKGZVCKTZDN-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO CC[N@H+](CCO)C[C@@H]1CCCN1Cc1ccccc1 ZINC000079393505 356990116 /nfs/dbraw/zinc/99/01/16/356990116.db2.gz LOGMKGZVCKTZDN-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO CC[N@@H+](CCO)C[C@@H]1CCCN1Cc1ccccc1 ZINC000079393505 356990117 /nfs/dbraw/zinc/99/01/17/356990117.db2.gz LOGMKGZVCKTZDN-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO NCC(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404293 356991172 /nfs/dbraw/zinc/99/11/72/356991172.db2.gz NIBGJGRALHGNIQ-MRXNPFEDSA-N 1 1 287.407 1.601 40 0 CDABMO NCC(=O)N(C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404293 356991175 /nfs/dbraw/zinc/99/11/75/356991175.db2.gz NIBGJGRALHGNIQ-MRXNPFEDSA-N 1 1 287.407 1.601 40 0 CDABMO CN(C)C(=O)c1n[nH]c2c1CN(Cc1ccccn1)CC2 ZINC000096187384 357282066 /nfs/dbraw/zinc/28/20/66/357282066.db2.gz RNIWNSOPNQSEOE-UHFFFAOYSA-N 1 1 285.351 1.065 40 0 CDABMO O=C1CC[C@@H](C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CCN1 ZINC000566176195 358287735 /nfs/dbraw/zinc/28/77/35/358287735.db2.gz ISIJRFCLCMGXNI-UPJWGTAASA-N 1 1 252.358 1.014 40 0 CDABMO COC[C@@H]1CCC2(CCN(C(=O)N3CCCC3)CC2)[N@H+]1C ZINC000096209080 358720164 /nfs/dbraw/zinc/72/01/64/358720164.db2.gz JDLUKMWDWWOWPB-AWEZNQCLSA-N 1 1 295.427 1.777 40 0 CDABMO CC(C)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncc(F)cn1 ZINC000096248860 358726790 /nfs/dbraw/zinc/72/67/90/358726790.db2.gz DUGKINZEMKOWKF-KGLIPLIRSA-N 1 1 294.374 1.551 40 0 CDABMO O=C1[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CCN1CC1CC1 ZINC000096249060 358726837 /nfs/dbraw/zinc/72/68/37/358726837.db2.gz LQVYSKQCACTRGL-UKRRQHHQSA-N 1 1 278.396 1.356 40 0 CDABMO C[NH+](C)Cc1[nH]nc2c1CCN(C(=O)c1cccnc1)C2 ZINC000096255838 358728763 /nfs/dbraw/zinc/72/87/63/358728763.db2.gz LIZIKUQSEXGQHG-UHFFFAOYSA-N 1 1 285.351 1.065 40 0 CDABMO Cc1noc(C2C[NH+](Cc3ccc4c(c3)CCO4)C2)n1 ZINC000049482540 374001963 /nfs/dbraw/zinc/00/19/63/374001963.db2.gz GJVXOPLKVIYDDE-UHFFFAOYSA-N 1 1 271.320 1.912 40 0 CDABMO Cc1nccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000257258579 190021917 /nfs/dbraw/zinc/02/19/17/190021917.db2.gz KUQHRENSRJSYQQ-LBPRGKRZSA-N 1 1 257.341 1.888 40 0 CDABMO Cc1cc(N)cc([C@H]2CN(Cc3ccccn3)CCO2)[nH+]1 ZINC000257285677 190026640 /nfs/dbraw/zinc/02/66/40/190026640.db2.gz PIFSQJAEPXQWRG-MRXNPFEDSA-N 1 1 284.363 1.941 40 0 CDABMO OC1(C[N@H+]2CCC[C@H](c3cnccn3)C2)CCOCC1 ZINC000257299189 190029488 /nfs/dbraw/zinc/02/94/88/190029488.db2.gz RPBIVKGVWJRWLB-ZDUSSCGKSA-N 1 1 277.368 1.198 40 0 CDABMO C[C@]1(C(N)=O)C[N@@H+](Cc2ccc3ccccc3c2)CCO1 ZINC000257301050 190030641 /nfs/dbraw/zinc/03/06/41/190030641.db2.gz RWUBTDHAVONRSZ-QGZVFWFLSA-N 1 1 284.359 1.916 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218557733 375857057 /nfs/dbraw/zinc/85/70/57/375857057.db2.gz HZUADBQIHGETLA-FRRDWIJNSA-N 1 1 287.356 1.070 40 0 CDABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](CC2(O)CCOCC2)C1 ZINC000257314500 190032538 /nfs/dbraw/zinc/03/25/38/190032538.db2.gz UXGLDSBJTBZRCB-GFCCVEGCSA-N 1 1 265.357 1.049 40 0 CDABMO C[N@H+]1CCC[C@H](c2cncc(C(=O)NCC3CC3)n2)C1 ZINC000257316797 190032762 /nfs/dbraw/zinc/03/27/62/190032762.db2.gz VHAKYMNAYKSJHF-LBPRGKRZSA-N 1 1 274.368 1.426 40 0 CDABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000257336141 190036084 /nfs/dbraw/zinc/03/60/84/190036084.db2.gz YNJGMTWQFKMLFM-LBPRGKRZSA-N 1 1 287.367 1.493 40 0 CDABMO Cc1nn2c(nc(C[NH+]3CCCCC3)cc2=O)s1 ZINC000041108660 379328951 /nfs/dbraw/zinc/32/89/51/379328951.db2.gz ABDMEXQYVNKFHT-UHFFFAOYSA-N 1 1 264.354 1.445 40 0 CDABMO O=S1(=O)C[C@H]([NH+]2CCCCC2)[C@H](Nc2ccccc2)C1 ZINC000033662843 285073323 /nfs/dbraw/zinc/07/33/23/285073323.db2.gz SVNYESGPIOVCGU-CABCVRRESA-N 1 1 294.420 1.750 40 0 CDABMO Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)o1 ZINC000096246247 256832489 /nfs/dbraw/zinc/83/24/89/256832489.db2.gz SNLHFQIPWCITSL-OCCSQVGLSA-N 1 1 298.408 1.444 40 0 CDABMO Cc1ccc(C[N@H+]2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)o1 ZINC000096246247 256832490 /nfs/dbraw/zinc/83/24/90/256832490.db2.gz SNLHFQIPWCITSL-OCCSQVGLSA-N 1 1 298.408 1.444 40 0 CDABMO C[C@@H](Oc1ncc(Br)cn1)[C@H]1CC[N@@H+](C)C1 ZINC000096515821 390533097 /nfs/dbraw/zinc/53/30/97/390533097.db2.gz ZRRRAEIZYIQRST-BDAKNGLRSA-N 1 1 286.173 1.958 40 0 CDABMO C[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216508 390621089 /nfs/dbraw/zinc/62/10/89/390621089.db2.gz QWCOKQBOPGXDAF-CQSZACIVSA-N 1 1 260.385 1.600 40 0 CDABMO CN1CCN(c2ccc([C@H]3CCC[N@@H+]3C)cn2)CC1 ZINC000072216508 390621094 /nfs/dbraw/zinc/62/10/94/390621094.db2.gz QWCOKQBOPGXDAF-CQSZACIVSA-N 1 1 260.385 1.600 40 0 CDABMO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCOCC2)O1 ZINC000096057477 390912375 /nfs/dbraw/zinc/91/23/75/390912375.db2.gz CILXONZQQBKPDG-RBSFLKMASA-N 1 1 296.411 1.123 40 0 CDABMO CC[C@@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)CN1CCC(C)CC1 ZINC000096424716 391190371 /nfs/dbraw/zinc/19/03/71/391190371.db2.gz VOJUROBBYILNPW-BRWVUGGUSA-N 1 1 298.471 1.705 40 0 CDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000242688237 391589385 /nfs/dbraw/zinc/58/93/85/391589385.db2.gz VLUQFGBQDHELRD-NWDGAFQWSA-N 1 1 279.336 1.522 40 0 CDABMO CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2c1ccccc1 ZINC000067897055 391964027 /nfs/dbraw/zinc/96/40/27/391964027.db2.gz XBZFBDHVFRVFSG-CABCVRRESA-N 1 1 274.364 1.759 40 0 biogenic,in-vitro CDABMO COc1ccc(NC(=O)CNCC[NH+]2CCCCC2)cc1 ZINC000035311506 172122364 /nfs/dbraw/zinc/12/23/64/172122364.db2.gz CZWMBPVIRCJFRN-UHFFFAOYSA-N 1 1 291.395 1.709 40 0 CDABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000038832718 174157143 /nfs/dbraw/zinc/15/71/43/174157143.db2.gz CHEOHXDFISCJJK-MRXNPFEDSA-N 1 1 288.391 1.757 40 0 CDABMO Cc1cc(C(=O)N2CCC[N@@H+](CC3CC3)CC2)n(C)n1 ZINC000072254223 176350371 /nfs/dbraw/zinc/35/03/71/176350371.db2.gz KFNOIYYHYPCBHG-UHFFFAOYSA-N 1 1 276.384 1.286 40 0 CDABMO Cc1nc(NCc2ccco2)nc2c1C[N@@H+](C)CC2 ZINC000072415034 176399187 /nfs/dbraw/zinc/39/91/87/176399187.db2.gz SAZBIMZKBWCXMW-UHFFFAOYSA-N 1 1 258.325 1.978 40 0 CDABMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(C)n1 ZINC000078499302 177347651 /nfs/dbraw/zinc/34/76/51/177347651.db2.gz NYUAANDMCCVBGP-CQSZACIVSA-N 1 1 261.369 1.881 40 0 CDABMO CC[N@H+]1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257293284 276254029 /nfs/dbraw/zinc/25/40/29/276254029.db2.gz QOWOZISETLFMMZ-ZIAGYGMSSA-N 1 1 260.337 1.118 40 0 CDABMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000096058275 277245063 /nfs/dbraw/zinc/24/50/63/277245063.db2.gz USZXLHMVZXYJEK-HZSPNIEDSA-N 1 1 278.352 1.253 40 0 CDABMO O=C([C@H]1C[N@@H+](C2CCCC2)Cc2ccnn21)N1CCCO1 ZINC000247865971 280143052 /nfs/dbraw/zinc/14/30/52/280143052.db2.gz OQVGGCHQMCUDDI-CQSZACIVSA-N 1 1 290.367 1.346 40 0 CDABMO O=C([C@H]1C[N@H+](C2CCCC2)Cc2ccnn21)N1CCCO1 ZINC000247865971 280143054 /nfs/dbraw/zinc/14/30/54/280143054.db2.gz OQVGGCHQMCUDDI-CQSZACIVSA-N 1 1 290.367 1.346 40 0 CDABMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCN1CCOC1=O ZINC000076325342 280210387 /nfs/dbraw/zinc/21/03/87/280210387.db2.gz PHRBDCPEMDIBGR-NWDGAFQWSA-N 1 1 256.346 1.064 40 0 CDABMO Cc1ccc([C@]2(C)NC(=N)NC(=[NH2+])N2c2ccccc2)o1 ZINC000054363794 281007711 /nfs/dbraw/zinc/00/77/11/281007711.db2.gz URHNXRBCBRBQQS-OAHLLOKOSA-N 1 1 283.335 1.910 40 0 CDABMO O=C(CC[NH+]1CCCC1)N1CCNC[C@@H]1c1ccccc1 ZINC000257210711 295473388 /nfs/dbraw/zinc/47/33/88/295473388.db2.gz BVUXMZUHEUPYNK-MRXNPFEDSA-N 1 1 287.407 1.645 40 0 CDABMO N=C1NC(=[NH2+])NC2(CCCCC2)N1c1ccc(F)cc1 ZINC000000203639 303359963 /nfs/dbraw/zinc/35/99/63/303359963.db2.gz LOLGTDLTPLOBDZ-UHFFFAOYSA-N 1 1 275.331 1.936 40 0 CDABMO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC000096055852 720326691 /nfs/dbraw/zinc/32/66/91/720326691.db2.gz IUCBDPHUOVQHFF-CABCVRRESA-N 1 1 281.363 1.725 40 0 CDABMO c1cn(C[C@H]2CO[C@]3(C2)COCC[N@H+](CC2CC2)C3)cn1 ZINC000096052079 185074565 /nfs/dbraw/zinc/07/45/65/185074565.db2.gz PKAXKJCIPPEIKT-HOTGVXAUSA-N 1 1 291.395 1.401 40 0 CDABMO COc1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]32)cc1 ZINC000096056446 185078120 /nfs/dbraw/zinc/07/81/20/185078120.db2.gz HZHCBXPDCQUAHW-KGLIPLIRSA-N 1 1 260.337 1.548 40 0 CDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccsc1)CC[C@@H]2OC ZINC000096109395 185100365 /nfs/dbraw/zinc/10/03/65/185100365.db2.gz OREWWAGSTKVMET-MJBXVCDLSA-N 1 1 294.420 1.929 40 0 CDABMO Cn1cc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cn1 ZINC000096110628 185101063 /nfs/dbraw/zinc/10/10/63/185101063.db2.gz JNNFXHYLKZATFK-CALCHBBNSA-N 1 1 297.406 1.379 40 0 CDABMO Cn1cc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110628 185101064 /nfs/dbraw/zinc/10/10/64/185101064.db2.gz JNNFXHYLKZATFK-CALCHBBNSA-N 1 1 297.406 1.379 40 0 CDABMO Cn1cc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110628 185101065 /nfs/dbraw/zinc/10/10/65/185101065.db2.gz JNNFXHYLKZATFK-CALCHBBNSA-N 1 1 297.406 1.379 40 0 CDABMO CC(=O)N1CC[C@H](O)[C@@H]([N@H+]2CCc3ccccc3C2)CC1 ZINC000585260811 342249059 /nfs/dbraw/zinc/24/90/59/342249059.db2.gz FPJGGSHKDZCDEQ-IRXDYDNUSA-N 1 1 288.391 1.417 40 0 CDABMO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3C(C)C)n1 ZINC000107251517 186164892 /nfs/dbraw/zinc/16/48/92/186164892.db2.gz ZMQNNQXKYCQABV-HUUCEWRRSA-N 1 1 273.380 1.974 40 0 CDABMO CN(C(=O)C[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404152 356989433 /nfs/dbraw/zinc/98/94/33/356989433.db2.gz UAMBYWJSZMCXEZ-AWEZNQCLSA-N 1 1 261.369 1.068 40 0 CDABMO CN(C(=O)CN)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404152 356989436 /nfs/dbraw/zinc/98/94/36/356989436.db2.gz UAMBYWJSZMCXEZ-AWEZNQCLSA-N 1 1 261.369 1.068 40 0 CDABMO CN(C)c1nccnc1[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000072364355 357831132 /nfs/dbraw/zinc/83/11/32/357831132.db2.gz ZKXNTVNVDAXERO-CYBMUJFWSA-N 1 1 276.384 1.859 40 0 CDABMO CC(C)([NH2+]CCCS(C)(=O)=O)c1nccs1 ZINC000072662627 358542732 /nfs/dbraw/zinc/54/27/32/358542732.db2.gz MSZDZVSQLGGMKL-UHFFFAOYSA-N 1 1 262.400 1.403 40 0 CDABMO Cc1cccnc1N1CC2(C1)CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096202665 358719055 /nfs/dbraw/zinc/71/90/55/358719055.db2.gz FFGZXSBCQOEMAS-UHFFFAOYSA-N 1 1 297.406 1.836 40 0 CDABMO Cn1cccc1C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](C)C2)O1 ZINC000096206734 358719964 /nfs/dbraw/zinc/71/99/64/358719964.db2.gz PUABWTNSQIJZBM-CZUORRHYSA-N 1 1 291.395 1.398 40 0 CDABMO CC(C)[N@H+]1CCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096239447 358725091 /nfs/dbraw/zinc/72/50/91/358725091.db2.gz KUCRMCNTJCAAJP-UHFFFAOYSA-N 1 1 274.368 1.566 40 0 CDABMO Cc1cccc(C[N@H+]2CCc3ncnc(N(C)C)c3CC2)n1 ZINC000096255393 358728855 /nfs/dbraw/zinc/72/88/55/358728855.db2.gz LXAHKWSSUABQPX-UHFFFAOYSA-N 1 1 297.406 1.847 40 0 CDABMO Cc1cc(CN2CCC[C@]3(C2)C[N@H+](C)CCO3)no1 ZINC000096268631 358730377 /nfs/dbraw/zinc/73/03/77/358730377.db2.gz JVNYLEHXDDANIL-CQSZACIVSA-N 1 1 265.357 1.280 40 0 CDABMO Cc1cc(CN2CCC[C@]3(C2)C[N@@H+](C)CCO3)no1 ZINC000096268631 358730380 /nfs/dbraw/zinc/73/03/80/358730380.db2.gz JVNYLEHXDDANIL-CQSZACIVSA-N 1 1 265.357 1.280 40 0 CDABMO C[N@H+]1CCC[C@H](n2ncc3cnc(Cl)nc32)C1 ZINC000095097370 374871299 /nfs/dbraw/zinc/87/12/99/374871299.db2.gz LCDGTXXINHMRGO-VIFPVBQESA-N 1 1 251.721 1.746 40 0 CDABMO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)C3(F)CCC3)C2)C1 ZINC000306141754 374972778 /nfs/dbraw/zinc/97/27/78/374972778.db2.gz WFNDWBDTJJGOKV-CYBMUJFWSA-N 1 1 298.402 1.838 40 0 CDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)C3(F)CCC3)C2)C1 ZINC000306141754 374972785 /nfs/dbraw/zinc/97/27/85/374972785.db2.gz WFNDWBDTJJGOKV-CYBMUJFWSA-N 1 1 298.402 1.838 40 0 CDABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000257200760 190011007 /nfs/dbraw/zinc/01/10/07/190011007.db2.gz AEUIGAITODSFCO-GFCCVEGCSA-N 1 1 287.367 1.347 40 0 CDABMO Cn1nccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C ZINC000257232981 190017139 /nfs/dbraw/zinc/01/71/39/190017139.db2.gz GNFFZSRAJMAKIN-ZFWWWQNUSA-N 1 1 276.384 1.509 40 0 CDABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)c2ccsc2)[C@H]1O ZINC000257247508 190019165 /nfs/dbraw/zinc/01/91/65/190019165.db2.gz IZHRJHZMFCGRGK-JHJVBQTASA-N 1 1 291.376 1.747 40 0 CDABMO CN1CCC([N@H+]2CCOC[C@H](Cc3ccncn3)C2)CC1 ZINC000257257526 190021604 /nfs/dbraw/zinc/02/16/04/190021604.db2.gz KQAMFQCPORNISQ-CQSZACIVSA-N 1 1 290.411 1.062 40 0 CDABMO C[NH+]1CCC(N2CCOC[C@H](Cc3ccncn3)C2)CC1 ZINC000257257526 190021605 /nfs/dbraw/zinc/02/16/05/190021605.db2.gz KQAMFQCPORNISQ-CQSZACIVSA-N 1 1 290.411 1.062 40 0 CDABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2cncc(C)n2)C1 ZINC000257256658 190021632 /nfs/dbraw/zinc/02/16/32/190021632.db2.gz KMJVJVWZGKZWIO-CQSZACIVSA-N 1 1 299.378 1.696 40 0 CDABMO CNC(=O)[C@H]1CN(Cc2cccc(F)c2F)CC[N@@H+](C)C1 ZINC000257275244 190024932 /nfs/dbraw/zinc/02/49/32/190024932.db2.gz NOMXRRLHKJXWDF-GFCCVEGCSA-N 1 1 297.349 1.074 40 0 CDABMO Nc1nccnc1C[C@@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC000257309740 190030921 /nfs/dbraw/zinc/03/09/21/190030921.db2.gz UCFKLSBTMMAQSW-LBPRGKRZSA-N 1 1 284.367 1.304 40 0 CDABMO CC(C)C[N@H+]1CCC[C@@]12CCN(C(=O)c1cnccn1)C2 ZINC000096203044 256822434 /nfs/dbraw/zinc/82/24/34/256822434.db2.gz RYSJTUAUVRHMLJ-INIZCTEOSA-N 1 1 288.395 1.813 40 0 CDABMO C[N@H+]1C[C@@H]2COC[C@]2(CC(=O)NCCc2ccccc2)C1 ZINC000096206406 256824092 /nfs/dbraw/zinc/82/40/92/256824092.db2.gz KOPQPAAVRHADNI-WBVHZDCISA-N 1 1 288.391 1.314 40 0 CDABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccco2)cc1 ZINC000072227151 390627290 /nfs/dbraw/zinc/62/72/90/390627290.db2.gz GVWWAZLCGMHVFR-STQMWFEESA-N 1 1 258.277 1.703 40 0 CDABMO CN(C)C(=O)[C@]1(C)C[N@@H+](CCc2ccccc2)CCO1 ZINC000072379287 390628178 /nfs/dbraw/zinc/62/81/78/390628178.db2.gz YWSWLULBZMRJND-INIZCTEOSA-N 1 1 276.380 1.408 40 0 CDABMO Cn1nc(C[NH+]2CCCCC2)c2c1CN([C@H]1CCOC1)C2 ZINC000096084524 390912742 /nfs/dbraw/zinc/91/27/42/390912742.db2.gz COJASDLIIJDJOR-ZDUSSCGKSA-N 1 1 290.411 1.511 40 0 CDABMO CC(C)[N@H+]1CCC[C@H](c2ccnc3c(C(N)=O)cnn32)C1 ZINC000257284707 397607436 /nfs/dbraw/zinc/60/74/36/397607436.db2.gz PDXGTZIYWXDRBS-NSHDSACASA-N 1 1 287.367 1.416 40 0 CDABMO c1cncc(N2CCO[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)c1 ZINC000096081755 398070421 /nfs/dbraw/zinc/07/04/21/398070421.db2.gz SFVFBDLXHMYXQE-IMJJTQAJSA-N 1 1 289.379 1.008 40 0 CDABMO Cc1ccc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3CC2)nn1 ZINC000096082181 292138956 /nfs/dbraw/zinc/13/89/56/292138956.db2.gz RUAFSQMCKDJSHL-CHWSQXEVSA-N 1 1 262.357 1.084 40 0 CDABMO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNCc1ccc(CO)o1 ZINC000039560680 174170276 /nfs/dbraw/zinc/17/02/76/174170276.db2.gz FTSFPPXHMMUANZ-MELADBBJSA-N 1 1 278.396 1.982 40 0 biogenic,in-vitro CDABMO Cc1cnc(C[C@@H]2COCC[N@H+](C3CCOCC3)C2)cn1 ZINC000072388208 176393437 /nfs/dbraw/zinc/39/34/37/176393437.db2.gz VTYKYRBEUYOQCE-AWEZNQCLSA-N 1 1 291.395 1.455 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)CC[C@@H]1C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000072397492 176395101 /nfs/dbraw/zinc/39/51/01/176395101.db2.gz KUCBWCMEAFQVRD-DOMZBBRYSA-N 1 1 296.374 1.635 40 0 CDABMO CCOc1ccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)cc1 ZINC000072397641 176395280 /nfs/dbraw/zinc/39/52/80/176395280.db2.gz QQIFUIXIROAAQF-FVQBIDKESA-N 1 1 290.407 1.725 40 0 CDABMO CC(=O)N1C[C@@H]2C[N@H+](C3CCCCC3)CCN2C(C)(C)C1 ZINC000253395065 277018527 /nfs/dbraw/zinc/01/85/27/277018527.db2.gz BOOWNGHGIAIWIE-INIZCTEOSA-N 1 1 293.455 1.946 40 0 biogenic,in-vitro CDABMO C[N@H+]1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1cnccn1 ZINC000257298299 277070878 /nfs/dbraw/zinc/07/08/78/277070878.db2.gz RLCJWOJRYUDQRJ-HIFRSBDPSA-N 1 1 274.368 1.566 40 0 CDABMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000054371233 278453304 /nfs/dbraw/zinc/45/33/04/278453304.db2.gz RWLPAVWLVUWAFK-QMMMGPOBSA-N 1 1 292.763 1.462 40 0 CDABMO C[C@@H]1CC[C@H](C)N1c1cc[nH+]c(N2CCOCC2)n1 ZINC000353271458 278601250 /nfs/dbraw/zinc/60/12/50/278601250.db2.gz YNJCDKBNMGAQLZ-TXEJJXNPSA-N 1 1 262.357 1.690 40 0 CDABMO Cc1cn(C)c([C@H]2C[N@@H+](C3CCOCC3)CCO2)n1 ZINC000257226244 279000208 /nfs/dbraw/zinc/00/02/08/279000208.db2.gz FJUHUPGBTFPMFB-CYBMUJFWSA-N 1 1 265.357 1.281 40 0 CDABMO Cc1cn(C)c([C@H]2C[N@H+](C3CCOCC3)CCO2)n1 ZINC000257226244 279000209 /nfs/dbraw/zinc/00/02/09/279000209.db2.gz FJUHUPGBTFPMFB-CYBMUJFWSA-N 1 1 265.357 1.281 40 0 CDABMO Cc1ncsc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682556431 483286159 /nfs/dbraw/zinc/28/61/59/483286159.db2.gz JBNZVESHSFILGY-UMNHJUIQSA-N 1 1 265.382 1.537 40 0 CDABMO Cc1[nH+]ccn1CCCN1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000096485959 230381371 /nfs/dbraw/zinc/38/13/71/230381371.db2.gz HPHQQAUWKWEEQC-VNBZBWLYSA-N 1 1 269.414 1.423 40 0 CDABMO CN(C)C(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccncc1)C2 ZINC000096038692 185069484 /nfs/dbraw/zinc/06/94/84/185069484.db2.gz YQQXVCAUGVHNHU-GDBMZVCRSA-N 1 1 289.379 1.151 40 0 CDABMO CN(C)[C@@H]1CC[N@H+](Cc2ccncc2)[C@H]1Cc1cnn(C)c1 ZINC000096061714 185082775 /nfs/dbraw/zinc/08/27/75/185082775.db2.gz DQZWEFJPTJMXQE-SJORKVTESA-N 1 1 299.422 1.562 40 0 CDABMO CN(C)[C@@H]1CC[N@@H+](Cc2ccncc2)[C@H]1Cc1cnn(C)c1 ZINC000096061714 185082777 /nfs/dbraw/zinc/08/27/77/185082777.db2.gz DQZWEFJPTJMXQE-SJORKVTESA-N 1 1 299.422 1.562 40 0 CDABMO CCOCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccn1 ZINC000096064027 185083788 /nfs/dbraw/zinc/08/37/88/185083788.db2.gz VXLFBMKHSFVVRJ-GJZGRUSLSA-N 1 1 289.379 1.293 40 0 CDABMO Cc1ccc2c([nH+]1)N(C)CCN(C(=O)c1ccnnc1)C2 ZINC000096069215 185085896 /nfs/dbraw/zinc/08/58/96/185085896.db2.gz GTWSJFSODMRFQT-UHFFFAOYSA-N 1 1 283.335 1.272 40 0 CDABMO COCC[C@@H]1CO[C@]2(CC[N@@H+](Cc3[nH]cnc3C)C2)C1 ZINC000096072071 185087551 /nfs/dbraw/zinc/08/75/51/185087551.db2.gz ANNNFYNOQVMSNQ-DZGCQCFKSA-N 1 1 279.384 1.736 40 0 CDABMO COc1cc(N2CC[C@@]3(CC[N@H+]3CC3CC3)C2)ncn1 ZINC000096075986 185089794 /nfs/dbraw/zinc/08/97/94/185089794.db2.gz LYXVBXPHKPJUDK-OAHLLOKOSA-N 1 1 274.368 1.550 40 0 CDABMO C[C@@]1(C(N)=O)CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000585263335 342251192 /nfs/dbraw/zinc/25/11/92/342251192.db2.gz WBZUTETWSZVGCM-CYBMUJFWSA-N 1 1 254.374 1.269 40 0 CDABMO CO[C@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1CC(=O)N(C)C ZINC000585275937 342256283 /nfs/dbraw/zinc/25/62/83/342256283.db2.gz BGMZWEKTXMFUDN-RISCZKNCSA-N 1 1 295.358 1.146 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1CC(=O)N(C)C ZINC000585275937 342256284 /nfs/dbraw/zinc/25/62/84/342256284.db2.gz BGMZWEKTXMFUDN-RISCZKNCSA-N 1 1 295.358 1.146 40 0 CDABMO C[NH+]1CCN(CCCCOc2ccc(C=O)cc2)CC1 ZINC000090669217 180020521 /nfs/dbraw/zinc/02/05/21/180020521.db2.gz WFNABXNQTTUSHF-UHFFFAOYSA-N 1 1 276.380 1.906 40 0 CDABMO c1ccc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)nc1 ZINC000107746664 186188721 /nfs/dbraw/zinc/18/87/21/186188721.db2.gz GIIGNWXDMJMFCV-SJORKVTESA-N 1 1 287.407 1.767 40 0 CDABMO Cn1cc(N2C(=O)C[C@H]3[C@H]2CC[N@H+]3Cc2ccco2)cn1 ZINC000108431224 186216205 /nfs/dbraw/zinc/21/62/05/186216205.db2.gz FHXPBCCMXDUKCI-KGLIPLIRSA-N 1 1 286.335 1.393 40 0 CDABMO CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2F)[C@@H]2CCO[C@@H]21 ZINC000108529389 186221821 /nfs/dbraw/zinc/22/18/21/186221821.db2.gz OTBUJYHYUUJLLE-NWANDNLSSA-N 1 1 292.354 1.503 40 0 CDABMO CN1CC[NH+](CCCNC(=O)/C=C/c2ccccc2)CC1 ZINC000022935130 356625292 /nfs/dbraw/zinc/62/52/92/356625292.db2.gz GOMYALBCCWFILR-CMDGGOBGSA-N 1 1 287.407 1.454 40 0 CDABMO C[N@H+](CC(=O)[O-])CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072418843 356929877 /nfs/dbraw/zinc/92/98/77/356929877.db2.gz GGCABWKIPXYICX-UHFFFAOYSA-N 1 1 276.380 1.915 40 0 CDABMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404163 356989026 /nfs/dbraw/zinc/98/90/26/356989026.db2.gz KBZJWKHZJFYMLV-OAHLLOKOSA-N 1 1 275.396 1.458 40 0 CDABMO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CN ZINC000079404163 356989030 /nfs/dbraw/zinc/98/90/30/356989030.db2.gz KBZJWKHZJFYMLV-OAHLLOKOSA-N 1 1 275.396 1.458 40 0 CDABMO CN(C(=O)OCc1ccccc1)[C@H]1CC[N@@H+](CCO)C1 ZINC000079410928 356993463 /nfs/dbraw/zinc/99/34/63/356993463.db2.gz LCNXOURDJOISIN-AWEZNQCLSA-N 1 1 278.352 1.322 40 0 CDABMO C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)[O-])CC1 ZINC000079416044 356995484 /nfs/dbraw/zinc/99/54/84/356995484.db2.gz DJCWCCYXJMAZGL-UHFFFAOYSA-N 1 1 276.380 1.915 40 0 CDABMO CC[NH+]1CCN(C(=O)c2cc(C(F)(F)F)nn2C)CC1 ZINC000028225006 357136584 /nfs/dbraw/zinc/13/65/84/357136584.db2.gz ACYJKCKVNNQXSN-UHFFFAOYSA-N 1 1 290.289 1.217 40 0 CDABMO CN1c2ncccc2C[N@H+](CC2CC2)CC[C@H]1CO ZINC000225492996 283267575 /nfs/dbraw/zinc/26/75/75/283267575.db2.gz BSEVBQQMBOEMBB-AWEZNQCLSA-N 1 1 261.369 1.494 40 0 biogenic,in-vitro CDABMO O=CN1CC[NH2+]C[C@H]1c1ccccc1Br ZINC000089212491 358051300 /nfs/dbraw/zinc/05/13/00/358051300.db2.gz YNLKPCROWLOVFK-NSHDSACASA-N 1 1 269.142 1.552 40 0 CDABMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)o2)[C@H]2CCO[C@@H]21 ZINC000096218797 358721813 /nfs/dbraw/zinc/72/18/13/358721813.db2.gz UVDHSLAJOFDNTH-MJBXVCDLSA-N 1 1 251.326 1.966 40 0 CDABMO CC(C)(C)OC(=O)N1CCN(CCCC(N)=[NH2+])CC1 ZINC000026896758 359453885 /nfs/dbraw/zinc/45/38/85/359453885.db2.gz SJQRZYCKXUIFBA-UHFFFAOYSA-N 1 1 270.377 1.255 40 0 CDABMO CCNc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC000000818584 364240569 /nfs/dbraw/zinc/24/05/69/364240569.db2.gz ATMSQCJMOKLYRD-UHFFFAOYSA-N 1 1 262.361 1.504 40 0 CDABMO COCC[N@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000075927066 366927689 /nfs/dbraw/zinc/92/76/89/366927689.db2.gz ASLVMIDLLVDEDE-SECBINFHSA-N 1 1 268.279 1.023 40 0 CDABMO C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)C)CCN2C(C)(C)C1 ZINC000253395289 373683274 /nfs/dbraw/zinc/68/32/74/373683274.db2.gz BTIQNZSGAIHMSH-GFCCVEGCSA-N 1 1 267.417 1.269 40 0 biogenic,in-vitro CDABMO Cn1cc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257210210 190012350 /nfs/dbraw/zinc/01/23/50/190012350.db2.gz BTQWUVZYPKCXSJ-MRXNPFEDSA-N 1 1 270.380 1.909 40 0 CDABMO Cn1cc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)cn1 ZINC000257210210 190012352 /nfs/dbraw/zinc/01/23/52/190012352.db2.gz BTQWUVZYPKCXSJ-MRXNPFEDSA-N 1 1 270.380 1.909 40 0 CDABMO Cn1cc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)cn1 ZINC000257210210 190012353 /nfs/dbraw/zinc/01/23/53/190012353.db2.gz BTQWUVZYPKCXSJ-MRXNPFEDSA-N 1 1 270.380 1.909 40 0 CDABMO CC(C)C(=O)N1CC[C@H](c2nc(C[NH+](C)C)c[nH]2)C1 ZINC000257226657 190015372 /nfs/dbraw/zinc/01/53/72/190015372.db2.gz FLPDNWJPBVHKBS-NSHDSACASA-N 1 1 264.373 1.443 40 0 CDABMO CC(C)C(=O)N1CC[C@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257226657 190015373 /nfs/dbraw/zinc/01/53/73/190015373.db2.gz FLPDNWJPBVHKBS-NSHDSACASA-N 1 1 264.373 1.443 40 0 CDABMO CNC(=O)[C@H]1CN(C)CC[N@@H+](CCCc2ccccc2)C1 ZINC000257241325 190018256 /nfs/dbraw/zinc/01/82/56/190018256.db2.gz HXQQXIBNEZRRTI-INIZCTEOSA-N 1 1 289.423 1.229 40 0 CDABMO O=C(C[N@H+]1CC[C@H](c2cc[nH]n2)C1)N1CCCCC1 ZINC000257241691 190018572 /nfs/dbraw/zinc/01/85/72/190018572.db2.gz HZDULNDSBHJQJT-LBPRGKRZSA-N 1 1 262.357 1.212 40 0 CDABMO c1cc2nccc(C3CC[NH+](Cc4cc[nH]n4)CC3)n2n1 ZINC000257257785 190021318 /nfs/dbraw/zinc/02/13/18/190021318.db2.gz KRBLEYNPAXAXBC-UHFFFAOYSA-N 1 1 282.351 1.832 40 0 CDABMO Cc1cc(-c2cncc(C[C@@H]3CC[N@H+](C)C3)n2)n[nH]1 ZINC000257343547 190037785 /nfs/dbraw/zinc/03/77/85/190037785.db2.gz ZTLCUEQNSHJCRL-NSHDSACASA-N 1 1 257.341 1.669 40 0 CDABMO O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccoc1 ZINC000096184514 256814922 /nfs/dbraw/zinc/81/49/22/256814922.db2.gz OKVZCXQHFOWXSZ-KGLIPLIRSA-N 1 1 296.392 1.420 40 0 CDABMO O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccoc1 ZINC000096184514 256814924 /nfs/dbraw/zinc/81/49/24/256814924.db2.gz OKVZCXQHFOWXSZ-KGLIPLIRSA-N 1 1 296.392 1.420 40 0 CDABMO CCS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000096245390 256832350 /nfs/dbraw/zinc/83/23/50/256832350.db2.gz DYIFVZMJMVTUJL-GASCZTMLSA-N 1 1 294.420 1.400 40 0 CDABMO COC(C[N@H+]1CCC[C@H]1c1cnn(C)c1C)OC ZINC000162171638 292079083 /nfs/dbraw/zinc/07/90/83/292079083.db2.gz WTOVRXXFIRGPHY-LBPRGKRZSA-N 1 1 253.346 1.484 40 0 CDABMO COC(=O)[C@@H](C)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000035622885 172304485 /nfs/dbraw/zinc/30/44/85/172304485.db2.gz QHQABJVSGUGKSW-QWRGUYRKSA-N 1 1 286.372 1.395 40 0 CDABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000038858534 174158143 /nfs/dbraw/zinc/15/81/43/174158143.db2.gz RLPXXIGYEGRISG-UHFFFAOYSA-N 1 1 298.390 1.627 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccccc1 ZINC000039975617 174180114 /nfs/dbraw/zinc/18/01/14/174180114.db2.gz JJRIQODIVOXHFY-ZDUSSCGKSA-N 1 1 262.353 1.666 40 0 CDABMO Cn1ccnc1C[N@@H+]1CCC[C@@](O)(c2nccn2C)CC1 ZINC000072369584 176383893 /nfs/dbraw/zinc/38/38/93/176383893.db2.gz OTMPLSPXOKMQNV-HNNXBMFYSA-N 1 1 289.383 1.027 40 0 CDABMO Cn1ccnc1C[N@H+]1CCC[C@@](O)(c2nccn2C)CC1 ZINC000072369584 176383895 /nfs/dbraw/zinc/38/38/95/176383895.db2.gz OTMPLSPXOKMQNV-HNNXBMFYSA-N 1 1 289.383 1.027 40 0 CDABMO CC(C)[N@@H+]1CCO[C@@H](c2ccc(CCC(N)=O)cn2)C1 ZINC000072378721 176386287 /nfs/dbraw/zinc/38/62/87/176386287.db2.gz GOGXDLKQGQJQKX-CQSZACIVSA-N 1 1 277.368 1.281 40 0 CDABMO CC(C)[N@H+]1CCO[C@@H](c2ccc(CCC(N)=O)cn2)C1 ZINC000072378721 176386288 /nfs/dbraw/zinc/38/62/88/176386288.db2.gz GOGXDLKQGQJQKX-CQSZACIVSA-N 1 1 277.368 1.281 40 0 CDABMO CC[C@H]1COC(C)(C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000652760105 424031177 /nfs/dbraw/zinc/03/11/77/424031177.db2.gz TYPUFMAWVZQINL-NWDGAFQWSA-N 1 1 254.374 1.497 40 0 CDABMO CNC(=O)C1([N@H+]2CCC[C@H]2C(=O)NC2CC2)CCCCC1 ZINC000096113081 265329680 /nfs/dbraw/zinc/32/96/80/265329680.db2.gz MHBKKFKAKAUFKK-ZDUSSCGKSA-N 1 1 293.411 1.178 40 0 biogenic,in-vitro CDABMO CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019498763 276202298 /nfs/dbraw/zinc/20/22/98/276202298.db2.gz RRSLORZVGJFWST-GFCCVEGCSA-N 1 1 288.395 1.581 40 0 CDABMO [NH3+]Cc1nc(-c2cc3cccc4c3n(c2=O)CCC4)no1 ZINC000049474320 295279421 /nfs/dbraw/zinc/27/94/21/295279421.db2.gz NVAKRZFNRJVHMG-UHFFFAOYSA-N 1 1 282.303 1.456 40 0 CDABMO CCc1nnc([C@@H]([NH3+])c2ccc(OC)c(OC)c2)[nH]1 ZINC000095533873 185005722 /nfs/dbraw/zinc/00/57/22/185005722.db2.gz LXFKFCJVLATGLP-LBPRGKRZSA-N 1 1 262.313 1.432 40 0 CDABMO CCOc1cc([C@H]([NH3+])c2nnc(C)[nH]2)ccc1OC ZINC000095534354 185006391 /nfs/dbraw/zinc/00/63/91/185006391.db2.gz LTPVBNGDSAOBDP-LBPRGKRZSA-N 1 1 262.313 1.569 40 0 CDABMO C[N@H+]1CCCC[C@H]1C1CCN(C(=O)Cn2cncn2)CC1 ZINC000019746597 342540531 /nfs/dbraw/zinc/54/05/31/342540531.db2.gz YOZWZCHKCVSZBE-AWEZNQCLSA-N 1 1 291.399 1.001 40 0 CDABMO O=C(c1ccoc1)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053810 185075393 /nfs/dbraw/zinc/07/53/93/185075393.db2.gz BVBUTKPZTQQPTJ-GASCZTMLSA-N 1 1 297.358 1.879 40 0 CDABMO Cc1noc(C[C@@H]2COC[C@H]3C[N@@H+](CC4CC4)C[C@H]32)n1 ZINC000096057272 185077775 /nfs/dbraw/zinc/07/77/75/185077775.db2.gz PTHWAULPIWHKGA-MCIONIFRSA-N 1 1 277.368 1.525 40 0 CDABMO Cc1ccsc1C[N@H+]1C[C@@H]2CN(C)CCO[C@@H]2C1 ZINC000096107937 185099308 /nfs/dbraw/zinc/09/93/08/185099308.db2.gz DAOYOOKIJCIVBU-QWHCGFSZSA-N 1 1 266.410 1.819 40 0 CDABMO Cc1ccsc1CN1C[C@@H]2C[N@H+](C)CCO[C@@H]2C1 ZINC000096107937 185099310 /nfs/dbraw/zinc/09/93/10/185099310.db2.gz DAOYOOKIJCIVBU-QWHCGFSZSA-N 1 1 266.410 1.819 40 0 CDABMO Cc1ccsc1CN1C[C@@H]2C[N@@H+](C)CCO[C@@H]2C1 ZINC000096107937 185099312 /nfs/dbraw/zinc/09/93/12/185099312.db2.gz DAOYOOKIJCIVBU-QWHCGFSZSA-N 1 1 266.410 1.819 40 0 CDABMO CN(C)C[C@]12COC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000096108237 185100283 /nfs/dbraw/zinc/10/02/83/185100283.db2.gz XAQWLYKKNHROCO-OCCSQVGLSA-N 1 1 266.410 1.758 40 0 CDABMO CN(C)C[C@]12COC[C@H]1C[N@@H+](Cc1cccs1)C2 ZINC000096108237 185100285 /nfs/dbraw/zinc/10/02/85/185100285.db2.gz XAQWLYKKNHROCO-OCCSQVGLSA-N 1 1 266.410 1.758 40 0 CDABMO CNC(=O)C[C@H]1C[N@@H+](C2CCCC2)Cc2ccnn21 ZINC000585112413 342213522 /nfs/dbraw/zinc/21/35/22/342213522.db2.gz PNFVBTDIEIGYSC-ZDUSSCGKSA-N 1 1 262.357 1.319 40 0 CDABMO CNC(=O)C[C@H]1C[N@H+](C2CCCC2)Cc2ccnn21 ZINC000585112413 342213523 /nfs/dbraw/zinc/21/35/23/342213523.db2.gz PNFVBTDIEIGYSC-ZDUSSCGKSA-N 1 1 262.357 1.319 40 0 CDABMO O[C@]1(COc2ccc(F)cc2)COCC[N@H+](C2CCC2)C1 ZINC000585284069 342258514 /nfs/dbraw/zinc/25/85/14/342258514.db2.gz UQASGQMKJPAYPA-INIZCTEOSA-N 1 1 295.354 1.820 40 0 CDABMO Cn1ccnc1C[N@H+]1CCCC[C@]2(C)NC(=O)CC[C@H]12 ZINC000257209872 362578304 /nfs/dbraw/zinc/57/83/04/362578304.db2.gz BSFNDIKGAKSMFS-WFASDCNBSA-N 1 1 276.384 1.443 40 0 CDABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257321500 362585660 /nfs/dbraw/zinc/58/56/60/362585660.db2.gz WBXXKIJWURYMFE-LLVKDONJSA-N 1 1 257.341 1.984 40 0 CDABMO C[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000020098530 356524928 /nfs/dbraw/zinc/52/49/28/356524928.db2.gz CNMNUQSFECXAJE-GFCCVEGCSA-N 1 1 278.404 1.487 40 0 CDABMO CC[C@@H](OC[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000022030803 356598066 /nfs/dbraw/zinc/59/80/66/356598066.db2.gz CPMNUFSZWYXFOX-IAGOWNOFSA-N 1 1 292.423 1.763 40 0 CDABMO CCO[C@H]1C[N@@H+](CC2CCOCC2)[C@@H]2CCCO[C@@H]21 ZINC000096057443 358707202 /nfs/dbraw/zinc/70/72/02/358707202.db2.gz IGLRSKVNTAWVMP-ILXRZTDVSA-N 1 1 269.385 1.681 40 0 CDABMO c1cc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)co1 ZINC000096056325 358707319 /nfs/dbraw/zinc/70/73/19/358707319.db2.gz FFLKAVBGSXBNGQ-HRCADAONSA-N 1 1 292.379 1.344 40 0 CDABMO COCC[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 ZINC000096186442 358713730 /nfs/dbraw/zinc/71/37/30/358713730.db2.gz QZYBFGBMIHJTMQ-GJZGRUSLSA-N 1 1 274.364 1.903 40 0 CDABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)N(C)C)CC2 ZINC000096206118 358720339 /nfs/dbraw/zinc/72/03/39/358720339.db2.gz IRDXQWHATCQTFW-GFCCVEGCSA-N 1 1 269.389 1.101 40 0 CDABMO COCC[N@H+]1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107712076 359026618 /nfs/dbraw/zinc/02/66/18/359026618.db2.gz QASASMSFTLZCOM-CVEARBPZSA-N 1 1 283.412 1.931 40 0 CDABMO COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000000490122 361449126 /nfs/dbraw/zinc/44/91/26/361449126.db2.gz OROGSEYTTFOCAN-QDQNSEEQSA-N 1 1 299.370 1.501 40 0 in-vitro CDABMO COC(=O)c1ccc(NC(=S)N2CC[NH+](C)CC2)cc1 ZINC000000134398 361609485 /nfs/dbraw/zinc/60/94/85/361609485.db2.gz UTZGUDHIXVGLBV-UHFFFAOYSA-N 1 1 293.392 1.417 40 0 CDABMO CN1c2ncccc2C[N@@H+](Cc2ccccn2)CC[C@H]1CO ZINC000225492755 374546256 /nfs/dbraw/zinc/54/62/56/374546256.db2.gz XJSYWOPFFVRDEG-INIZCTEOSA-N 1 1 298.390 1.680 40 0 biogenic,in-vitro CDABMO CN1c2ncccc2C[N@H+](Cc2ccccn2)CC[C@H]1CO ZINC000225492755 374546264 /nfs/dbraw/zinc/54/62/64/374546264.db2.gz XJSYWOPFFVRDEG-INIZCTEOSA-N 1 1 298.390 1.680 40 0 biogenic,in-vitro CDABMO CC(C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056997270 375391736 /nfs/dbraw/zinc/39/17/36/375391736.db2.gz CVVZCTNPFINYLI-UHFFFAOYSA-N 1 1 293.386 1.720 40 0 CDABMO Cc1cc(-c2cncn2C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257214307 190012836 /nfs/dbraw/zinc/01/28/36/190012836.db2.gz CLNAYNFAYVBNDI-GFCCVEGCSA-N 1 1 271.368 1.995 40 0 CDABMO CN(C)C(=O)c1cc(C[C@@H]2CCC[N@@H+](C)CC2)ncn1 ZINC000257244476 190019535 /nfs/dbraw/zinc/01/95/35/190019535.db2.gz ILNFRUDJERQDPT-GFCCVEGCSA-N 1 1 276.384 1.453 40 0 CDABMO COc1cccc(C[C@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@H]23)c1 ZINC000257262146 190022289 /nfs/dbraw/zinc/02/22/89/190022289.db2.gz LKHDDFZLFSFQPY-IIAWOOMASA-N 1 1 288.391 1.681 40 0 CDABMO CCOC[C@@]1([NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218029248 375779307 /nfs/dbraw/zinc/77/93/07/375779307.db2.gz VLLHTZMHRUKFDW-HZSPNIEDSA-N 1 1 283.393 1.321 40 0 CDABMO CN(C)C(=O)[C@@]1(C)CCC[N@@H+](Cc2ccncc2)C1 ZINC000257282328 190026320 /nfs/dbraw/zinc/02/63/20/190026320.db2.gz OTHZRAJMPNWNLI-HNNXBMFYSA-N 1 1 261.369 1.772 40 0 CDABMO CCOCCN1CCO[C@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257297715 190029787 /nfs/dbraw/zinc/02/97/87/190029787.db2.gz RIOKBKNJTXJNDI-HNNXBMFYSA-N 1 1 279.384 1.842 40 0 CDABMO C[N@H+]1CCCN(Cc2ccnc([C@@]3(C)CCCO3)n2)CC1 ZINC000257319284 190033242 /nfs/dbraw/zinc/03/32/42/190033242.db2.gz VRSRGKHNLBSTAU-MRXNPFEDSA-N 1 1 290.411 1.640 40 0 CDABMO CC(C)c1nc2c(c(=O)[nH]1)CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000019453737 390228202 /nfs/dbraw/zinc/22/82/02/390228202.db2.gz WNWMXYAQXOHEMV-LBPRGKRZSA-N 1 1 291.395 1.330 40 0 CDABMO CN1CCN(c2ncccc2[C@H]2CCCC[N@@H+]2C)CC1 ZINC000072216597 390622174 /nfs/dbraw/zinc/62/21/74/390622174.db2.gz DRDZMYRORBTDAE-OAHLLOKOSA-N 1 1 274.412 1.990 40 0 CDABMO CN1CCN(c2ncccc2[C@H]2CCCC[N@H+]2C)CC1 ZINC000072216597 390622176 /nfs/dbraw/zinc/62/21/76/390622176.db2.gz DRDZMYRORBTDAE-OAHLLOKOSA-N 1 1 274.412 1.990 40 0 CDABMO CC[C@@H]([NH3+])c1cnc(N2CCN(CC)CC2)cc1C ZINC000072223636 390624135 /nfs/dbraw/zinc/62/41/35/390624135.db2.gz DEQFHOAXOZWDBR-CQSZACIVSA-N 1 1 262.401 1.942 40 0 CDABMO COCCN1CC[N@@H+](C[C@H]2CCOC2)Cc2cccnc21 ZINC000247814106 391420798 /nfs/dbraw/zinc/42/07/98/391420798.db2.gz ACFLJYBPHMKKNZ-CQSZACIVSA-N 1 1 291.395 1.387 40 0 CDABMO Cc1nc([C@@H]2CCC[N@@H+](C)C2)ncc1C(=O)N(C)C ZINC000072370067 176384311 /nfs/dbraw/zinc/38/43/11/176384311.db2.gz SMKVSZIJBJFFBH-LLVKDONJSA-N 1 1 262.357 1.296 40 0 CDABMO CNC(=O)[C@@]1(C)C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000072379917 176387357 /nfs/dbraw/zinc/38/73/57/176387357.db2.gz LMKRFDIWJMHQNR-MRXNPFEDSA-N 1 1 287.363 1.505 40 0 CDABMO CNC(=O)[C@@]1(C)C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000072379917 176387358 /nfs/dbraw/zinc/38/73/58/176387358.db2.gz LMKRFDIWJMHQNR-MRXNPFEDSA-N 1 1 287.363 1.505 40 0 CDABMO CN(C)c1ccc([C@H]2C[N@@H+](C3CCOCC3)CCO2)nc1 ZINC000072385943 176391193 /nfs/dbraw/zinc/39/11/93/176391193.db2.gz KUJMLCPNPRESMZ-MRXNPFEDSA-N 1 1 291.395 1.700 40 0 CDABMO CN(C)c1ccc([C@H]2C[N@H+](C3CCOCC3)CCO2)nc1 ZINC000072385943 176391195 /nfs/dbraw/zinc/39/11/95/176391195.db2.gz KUJMLCPNPRESMZ-MRXNPFEDSA-N 1 1 291.395 1.700 40 0 CDABMO Cc1nccc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 ZINC000072397391 176394375 /nfs/dbraw/zinc/39/43/75/176394375.db2.gz IGHIAKHQLAEJBX-KGLIPLIRSA-N 1 1 296.374 1.566 40 0 CDABMO C[N@@H+]1Cc2cccn2C[C@@H](OCc2ccccn2)C1 ZINC000248140149 277213173 /nfs/dbraw/zinc/21/31/73/277213173.db2.gz QABPXBSHNGWTSY-HNNXBMFYSA-N 1 1 257.337 1.914 40 0 CDABMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C ZINC000075649351 277251900 /nfs/dbraw/zinc/25/19/00/277251900.db2.gz GTNJVGGWOCTEMC-CQSZACIVSA-N 1 1 261.369 1.463 40 0 CDABMO Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000025503856 280916018 /nfs/dbraw/zinc/91/60/18/280916018.db2.gz LXEXRLXNGFEAIH-CQSZACIVSA-N 1 1 250.342 1.100 40 0 CDABMO C[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000257338104 290279289 /nfs/dbraw/zinc/27/92/89/290279289.db2.gz YVVRQHDHAIDNFJ-SWLSCSKDSA-N 1 1 262.328 1.894 40 0 CDABMO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccco1 ZINC000048739419 523343894 /nfs/dbraw/zinc/34/38/94/523343894.db2.gz IIXNPAVMSLHDNA-GFCCVEGCSA-N 1 1 294.351 1.313 40 0 CDABMO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccco1 ZINC000048739419 523343904 /nfs/dbraw/zinc/34/39/04/523343904.db2.gz IIXNPAVMSLHDNA-GFCCVEGCSA-N 1 1 294.351 1.313 40 0 CDABMO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H]2C(=O)CCCC[C@@H]21 ZINC001547139831 967458605 /nfs/dbraw/zinc/45/86/05/967458605.db2.gz SIHSXNRSSWYSFM-UTUOFQBUSA-N 1 1 253.342 1.772 40 0 CDABMO Cc1ncsc1C[N@H+]1C[C@@H](N(C)C)[C@H]2OCCC[C@H]2C1 ZINC000096040585 185069159 /nfs/dbraw/zinc/06/91/59/185069159.db2.gz XWWIRRKUOMPHGH-GUTXKFCHSA-N 1 1 295.452 1.993 40 0 CDABMO Cc1ncsc1C[N@@H+]1C[C@@H](N(C)C)[C@H]2OCCC[C@H]2C1 ZINC000096040585 185069160 /nfs/dbraw/zinc/06/91/60/185069160.db2.gz XWWIRRKUOMPHGH-GUTXKFCHSA-N 1 1 295.452 1.993 40 0 CDABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccccn3)CC2)N1 ZINC000096047457 185073418 /nfs/dbraw/zinc/07/34/18/185073418.db2.gz HBYWYXQQDJTYRG-HNNXBMFYSA-N 1 1 259.353 1.716 40 0 CDABMO Cn1cc(N2CC[C@]3(CC[N@@H+](CC4CC4)C3)C2=O)cn1 ZINC000096050549 185074353 /nfs/dbraw/zinc/07/43/53/185074353.db2.gz YTGCXZHEQQCSKS-HNNXBMFYSA-N 1 1 274.368 1.259 40 0 CDABMO Cn1ccnc1CN1CC[C@@]2(CC[N@H+]2CC2CC2)C1 ZINC000096075980 185090242 /nfs/dbraw/zinc/09/02/42/185090242.db2.gz FEUCKHMQSMPEEL-OAHLLOKOSA-N 1 1 260.385 1.480 40 0 CDABMO COCc1nnc2n1CC[N@H+](Cc1ccc(C)o1)[C@@H](C)C2 ZINC000585097703 342211565 /nfs/dbraw/zinc/21/15/65/342211565.db2.gz MWMCIZTTZVEKJK-NSHDSACASA-N 1 1 290.367 1.773 40 0 CDABMO CO[C@]1(CCC(N)=O)CCC[N@@H+](Cc2ccncc2C)C1 ZINC000585277323 342256456 /nfs/dbraw/zinc/25/64/56/342256456.db2.gz UMZJZIKSZKXKSZ-INIZCTEOSA-N 1 1 291.395 1.637 40 0 CDABMO C[C@@H]1Cc2[nH+]cn(Cc3nc(N(C)C)no3)c2C[C@H]1C ZINC000295041996 199315635 /nfs/dbraw/zinc/31/56/35/199315635.db2.gz AKVJCQCYIWARDJ-NXEZZACHSA-N 1 1 275.356 1.751 40 0 CDABMO COCc1ccc([C@H]2CCC[N@H+]2C[C@@](C)(O)C(C)=O)o1 ZINC000332386905 362500213 /nfs/dbraw/zinc/50/02/13/362500213.db2.gz QCEOFVMKDGVYEC-UKRRQHHQSA-N 1 1 281.352 1.903 40 0 CDABMO C[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000110641216 186307858 /nfs/dbraw/zinc/30/78/58/186307858.db2.gz VMDZXINKFCTKOC-FZKCQIBNSA-N 1 1 282.428 1.333 40 0 CDABMO C[C@H](C(=O)N1CCC[C@@H]1CO)[N@@H+]1CCc2ccccc2C1 ZINC000154002640 188117264 /nfs/dbraw/zinc/11/72/64/188117264.db2.gz IUOAYNGQMAJONP-CZUORRHYSA-N 1 1 288.391 1.417 40 0 CDABMO C[C@H](C(=O)N1CCC[C@@H]1CO)[N@H+]1CCc2ccccc2C1 ZINC000154002640 188117266 /nfs/dbraw/zinc/11/72/66/188117266.db2.gz IUOAYNGQMAJONP-CZUORRHYSA-N 1 1 288.391 1.417 40 0 CDABMO CO[C@@H](C)c1cccc(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000157700080 188333494 /nfs/dbraw/zinc/33/34/94/188333494.db2.gz WZWAKYOGBOKTJC-CABZTGNLSA-N 1 1 266.366 1.995 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(F)c1 ZINC000004497863 356032709 /nfs/dbraw/zinc/03/27/09/356032709.db2.gz OFUNOGPCVYCCBD-ZDUSSCGKSA-N 1 1 293.342 1.365 40 0 CDABMO O=C(NCCC[NH+]1CCOCC1)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000019721074 356496780 /nfs/dbraw/zinc/49/67/80/356496780.db2.gz KGHKTZJZPDWUCA-MJBXVCDLSA-N 1 1 266.385 1.261 40 0 CDABMO CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(CO)CC1 ZINC000058934510 357416496 /nfs/dbraw/zinc/41/64/96/357416496.db2.gz RCHZRBQSFJGSII-GFCCVEGCSA-N 1 1 281.356 1.404 40 0 CDABMO COc1ccc(C[NH2+]CC(OC)(OC)OC)cc1O ZINC000068568487 357650657 /nfs/dbraw/zinc/65/06/57/357650657.db2.gz PNWILNPTBXWJII-UHFFFAOYSA-N 1 1 271.313 1.083 40 0 CDABMO C[N@H+]1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccccc1 ZINC000096184239 358712838 /nfs/dbraw/zinc/71/28/38/358712838.db2.gz RUZAPSSIUPGGPE-UONOGXRCSA-N 1 1 280.393 1.295 40 0 CDABMO c1cc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@H]3C2)ccn1 ZINC000096183281 358713242 /nfs/dbraw/zinc/71/32/42/358713242.db2.gz DABADBDWDFLXAT-DLBZAZTESA-N 1 1 287.407 1.767 40 0 CDABMO c1cnc2c(c1)C[N@H+]([C@@H]1CCOC1)CCN2CC1CC1 ZINC000096198934 358717614 /nfs/dbraw/zinc/71/76/14/358717614.db2.gz QRQCZKCRJRXPNI-OAHLLOKOSA-N 1 1 273.380 1.903 40 0 CDABMO c1cnc2c(c1)C[N@@H+]([C@@H]1CCOC1)CCN2CC1CC1 ZINC000096198934 358717616 /nfs/dbraw/zinc/71/76/16/358717616.db2.gz QRQCZKCRJRXPNI-OAHLLOKOSA-N 1 1 273.380 1.903 40 0 CDABMO OCC[N@@H+]1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226767 358722991 /nfs/dbraw/zinc/72/29/91/358722991.db2.gz BMTCVLNLHAGCRF-MRXNPFEDSA-N 1 1 294.370 1.489 40 0 CDABMO OCC[N@H+]1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226767 358722996 /nfs/dbraw/zinc/72/29/96/358722996.db2.gz BMTCVLNLHAGCRF-MRXNPFEDSA-N 1 1 294.370 1.489 40 0 CDABMO Cn1nc(C[NH+](C)C)c2c1CN(Cc1ccc[nH]1)C2 ZINC000096259075 358728692 /nfs/dbraw/zinc/72/86/92/358728692.db2.gz DBLGWDGKJUVQKP-UHFFFAOYSA-N 1 1 259.357 1.326 40 0 CDABMO C[N@@H+]1C[C@@H]2c3c(cccc3F)[C@H](NS(C)(=O)=O)[C@@H]2C1 ZINC000096261712 358729609 /nfs/dbraw/zinc/72/96/09/358729609.db2.gz VWJYRLVAMAHDIT-CWSCBRNRSA-N 1 1 284.356 1.075 40 0 CDABMO O=C(CCc1cn[nH]c1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000630016779 364429491 /nfs/dbraw/zinc/42/94/91/364429491.db2.gz KFLMTFHJHXYKCV-AWEZNQCLSA-N 1 1 290.411 1.866 40 0 CDABMO CC(C)[N@H+]1C[C@H]2OC[C@H](CNC(=O)c3cccnc3)[C@H]2C1 ZINC000248026026 189944152 /nfs/dbraw/zinc/94/41/52/189944152.db2.gz WHGMAWRLLNAQHR-RRFJBIMHSA-N 1 1 289.379 1.167 40 0 CDABMO Cc1ccc(-c2n[nH]c(CN3CC[NH2+]CC3)n2)cc1 ZINC000064875457 374241276 /nfs/dbraw/zinc/24/12/76/374241276.db2.gz MSGFGIMYSWETIS-UHFFFAOYSA-N 1 1 257.341 1.185 40 0 CDABMO Cc1ccc(-c2nc(CN3CC[NH2+]CC3)n[nH]2)cc1 ZINC000064875457 374241286 /nfs/dbraw/zinc/24/12/86/374241286.db2.gz MSGFGIMYSWETIS-UHFFFAOYSA-N 1 1 257.341 1.185 40 0 CDABMO COC(CN1CCC([N@H+]2CCC[C@@H]2C)CC1)OC ZINC000225450885 374427781 /nfs/dbraw/zinc/42/77/81/374427781.db2.gz VPPVVQFHXYOCGE-LBPRGKRZSA-N 1 1 256.390 1.554 40 0 CDABMO CCn1nccc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256053839 190005085 /nfs/dbraw/zinc/00/50/85/190005085.db2.gz TWJAANYUNWVTMV-UHFFFAOYSA-N 1 1 287.289 1.952 40 0 CDABMO Cn1ccc(C[NH+]2CCC(c3cnccn3)CC2)n1 ZINC000257219182 190013764 /nfs/dbraw/zinc/01/37/64/190013764.db2.gz DFWXMUFOLKKMRQ-UHFFFAOYSA-N 1 1 257.341 1.590 40 0 CDABMO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1O ZINC000257220835 190015053 /nfs/dbraw/zinc/01/50/53/190015053.db2.gz DMJFZFRPSFNNOU-IAGOWNOFSA-N 1 1 284.359 1.521 40 0 CDABMO CCOC[C@@]1([NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218029413 375779211 /nfs/dbraw/zinc/77/92/11/375779211.db2.gz VLLHTZMHRUKFDW-MELADBBJSA-N 1 1 283.393 1.321 40 0 CDABMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257310435 190032124 /nfs/dbraw/zinc/03/21/24/190032124.db2.gz UFBGYWYWUGBHOI-LBPRGKRZSA-N 1 1 257.341 1.590 40 0 CDABMO Cn1ccnc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257310435 190032125 /nfs/dbraw/zinc/03/21/25/190032125.db2.gz UFBGYWYWUGBHOI-LBPRGKRZSA-N 1 1 257.341 1.590 40 0 CDABMO O=S1(=O)C[C@@H](Nc2ccccc2)[C@H]([NH+]2CCCCC2)C1 ZINC000033662845 285072528 /nfs/dbraw/zinc/07/25/28/285072528.db2.gz SVNYESGPIOVCGU-HUUCEWRRSA-N 1 1 294.420 1.750 40 0 CDABMO Cc1cnc(N2C[C@H]3CC[N@@H+](CC4CC4)C[C@@H]3C2)nc1 ZINC000096249174 256834799 /nfs/dbraw/zinc/83/47/99/256834799.db2.gz ICVSXODNLQVSJE-HUUCEWRRSA-N 1 1 272.396 1.953 40 0 CDABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]32)C(=O)N1C ZINC000096261400 256838022 /nfs/dbraw/zinc/83/80/22/256838022.db2.gz UWQBWIHZCPJOHE-HLLBOEOZSA-N 1 1 298.390 1.553 40 0 CDABMO Cc1cc([C@H]2CCC[N@@H+]2C)cnc1N1CCOCC1 ZINC000072219326 390623136 /nfs/dbraw/zinc/62/31/36/390623136.db2.gz ZFVUBUVXLUXHGD-CQSZACIVSA-N 1 1 261.369 1.993 40 0 CDABMO Cc1cc(N2CCOCC2)[nH+]cc1[C@@H]1CCCCN1C=O ZINC000072219432 390623273 /nfs/dbraw/zinc/62/32/73/390623273.db2.gz JBAONTCNMIWMRQ-HNNXBMFYSA-N 1 1 289.379 1.910 40 0 CDABMO CC(C)[N@H+]1CCOC[C@]2(CN(Cc3ccco3)CCO2)C1 ZINC000096049713 390912249 /nfs/dbraw/zinc/91/22/49/390912249.db2.gz HUIZJLSBUPQGIS-INIZCTEOSA-N 1 1 294.395 1.591 40 0 CDABMO COC[C@@H](O)C[N@H+]1C[C@H](c2ccsc2)C[C@H]1C ZINC000096421809 391189646 /nfs/dbraw/zinc/18/96/46/391189646.db2.gz CEZFHQKVRBAQLO-RTXFEEFZSA-N 1 1 255.383 1.933 40 0 CDABMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000064247398 391473916 /nfs/dbraw/zinc/47/39/16/391473916.db2.gz MJWZZSYEQPJDDU-CYBMUJFWSA-N 1 1 294.399 1.872 40 0 CDABMO CC(C)[N@H+]1CCC[C@@H]1c1cnc(N2CCOC2=O)cn1 ZINC000257201629 391648417 /nfs/dbraw/zinc/64/84/17/391648417.db2.gz AIJJMDDWDAXBPX-GFCCVEGCSA-N 1 1 276.340 1.979 40 0 CDABMO CC[N@@H+]1CCC[C@H]1CNCc1cnc(NC(C)C)nc1 ZINC000062718454 392804550 /nfs/dbraw/zinc/80/45/50/392804550.db2.gz INQRFDUMKGAKBQ-AWEZNQCLSA-N 1 1 277.416 1.871 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNCc1cnc(NC(C)C)nc1 ZINC000062718454 392804556 /nfs/dbraw/zinc/80/45/56/392804556.db2.gz INQRFDUMKGAKBQ-AWEZNQCLSA-N 1 1 277.416 1.871 40 0 CDABMO COC(C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O)OC ZINC000136768285 292078582 /nfs/dbraw/zinc/07/85/82/292078582.db2.gz OJTYHMJDGNLNOI-CQSZACIVSA-N 1 1 292.379 1.733 40 0 CDABMO COC(C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O)OC ZINC000136768285 292078583 /nfs/dbraw/zinc/07/85/83/292078583.db2.gz OJTYHMJDGNLNOI-CQSZACIVSA-N 1 1 292.379 1.733 40 0 CDABMO Cc1cc(C)cc(OCC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000028227089 171551991 /nfs/dbraw/zinc/55/19/91/171551991.db2.gz LMXPPPBKNMJCBB-HNNXBMFYSA-N 1 1 288.391 1.989 40 0 CDABMO CSc1ccc(NC(=O)NN2CC[NH+](C)CC2)cc1 ZINC000035311675 172122096 /nfs/dbraw/zinc/12/20/96/172122096.db2.gz KPDYALIJEOHXDS-UHFFFAOYSA-N 1 1 280.397 1.692 40 0 CDABMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072378780 176385709 /nfs/dbraw/zinc/38/57/09/176385709.db2.gz NNUXZZGQPKKJNC-CQSZACIVSA-N 1 1 299.378 1.492 40 0 CDABMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072378780 176385710 /nfs/dbraw/zinc/38/57/10/176385710.db2.gz NNUXZZGQPKKJNC-CQSZACIVSA-N 1 1 299.378 1.492 40 0 CDABMO CNC(=O)[C@]1(C)C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000072379918 176387382 /nfs/dbraw/zinc/38/73/82/176387382.db2.gz LMKRFDIWJMHQNR-INIZCTEOSA-N 1 1 287.363 1.505 40 0 CDABMO CNC(=O)[C@]1(C)C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000072379918 176387383 /nfs/dbraw/zinc/38/73/83/176387383.db2.gz LMKRFDIWJMHQNR-INIZCTEOSA-N 1 1 287.363 1.505 40 0 CDABMO CNC(=O)[C@H]1CN(C)CC[N@H+](C2CCCCCC2)C1 ZINC000257236922 277253410 /nfs/dbraw/zinc/25/34/10/277253410.db2.gz HEINARJCCRQZOK-ZDUSSCGKSA-N 1 1 267.417 1.319 40 0 CDABMO Cc1cccc(C[N@H+]2CCc3nc(C)[nH]c(=O)c3CC2)c1 ZINC000019235074 281217918 /nfs/dbraw/zinc/21/79/18/281217918.db2.gz RZASGOHQXDTGDU-UHFFFAOYSA-N 1 1 283.375 1.988 40 0 CDABMO O=C(N1CCCC1)N1CC[N@H+]2C[C@@H](OCC3CC3)C[C@@H]2C1 ZINC000096055006 185075426 /nfs/dbraw/zinc/07/54/26/185075426.db2.gz PAURGSWULQWVEN-CABCVRRESA-N 1 1 293.411 1.387 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1 ZINC000096058214 185079455 /nfs/dbraw/zinc/07/94/55/185079455.db2.gz XXQQUOLGSKDTMS-CYZMBNFOSA-N 1 1 264.325 1.005 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1 ZINC000096058214 185079456 /nfs/dbraw/zinc/07/94/56/185079456.db2.gz XXQQUOLGSKDTMS-CYZMBNFOSA-N 1 1 264.325 1.005 40 0 CDABMO CCOc1ncnc2c1CC[N@@H+](Cc1cccnc1)CC2 ZINC000096058762 185079502 /nfs/dbraw/zinc/07/95/02/185079502.db2.gz ADIDHRMONYQEOG-UHFFFAOYSA-N 1 1 284.363 1.871 40 0 CDABMO CO[C@@H]1CO[C@@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096072207 185088722 /nfs/dbraw/zinc/08/87/22/185088722.db2.gz IMFKAMGAHALLJC-JQWIXIFHSA-N 1 1 254.355 1.523 40 0 CDABMO CO[C@@H]1CO[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096072207 185088724 /nfs/dbraw/zinc/08/87/24/185088724.db2.gz IMFKAMGAHALLJC-JQWIXIFHSA-N 1 1 254.355 1.523 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096107932 185100205 /nfs/dbraw/zinc/10/02/05/185100205.db2.gz SLVQRFWGDVWOOP-DZGCQCFKSA-N 1 1 264.344 1.588 40 0 CDABMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC000096110728 185100561 /nfs/dbraw/zinc/10/05/61/185100561.db2.gz PVMLHMKMJKLYDX-OLZOCXBDSA-N 1 1 277.393 1.842 40 0 CDABMO Cc1nocc1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000585108117 342213312 /nfs/dbraw/zinc/21/33/12/342213312.db2.gz NOHPDZLECMFDAN-UONOGXRCSA-N 1 1 275.352 1.682 40 0 CDABMO COCC[N@H+]1CCC[C@]2(CCC(=O)N2CCF)CC1 ZINC000585100534 342212054 /nfs/dbraw/zinc/21/20/54/342212054.db2.gz MVJSCDIGRWCRIL-AWEZNQCLSA-N 1 1 272.364 1.449 40 0 CDABMO Cc1cc(C[N@@H+]2CCC[C@@]3(CN(C(C)C)C3=O)C2)n(C)n1 ZINC000585099687 342212234 /nfs/dbraw/zinc/21/22/34/342212234.db2.gz XTRYSIITZUFQKK-INIZCTEOSA-N 1 1 290.411 1.561 40 0 CDABMO C[N@H+]1CCOCC2(CCN(C(=O)C3CC(F)C3)CC2)C1 ZINC000585102417 342212645 /nfs/dbraw/zinc/21/26/45/342212645.db2.gz BMHRWZIZSCIQCT-UHFFFAOYSA-N 1 1 284.375 1.305 40 0 CDABMO Cc1ccc(OC[C@]2(O)CC[N@H+](Cc3c[nH]cn3)C2)cc1 ZINC000585274391 342255939 /nfs/dbraw/zinc/25/59/39/342255939.db2.gz KLGOGXDPHBDGHS-INIZCTEOSA-N 1 1 287.363 1.734 40 0 CDABMO Cc1ccc(OC[C@]2(O)CC[N@@H+](Cc3c[nH]cn3)C2)cc1 ZINC000585274391 342255940 /nfs/dbraw/zinc/25/59/40/342255940.db2.gz KLGOGXDPHBDGHS-INIZCTEOSA-N 1 1 287.363 1.734 40 0 CDABMO CO[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1CC(N)=O ZINC000585274642 342255946 /nfs/dbraw/zinc/25/59/46/342255946.db2.gz LPURHYUOQXLXHQ-ZIAGYGMSSA-N 1 1 268.401 1.779 40 0 CDABMO O=C1CCCC[C@@H]2[C@H](CC[N@@H+]2CC2(O)CCCCC2)N1 ZINC000585285136 342258689 /nfs/dbraw/zinc/25/86/89/342258689.db2.gz WEAOVKHSXNVEHF-UONOGXRCSA-N 1 1 280.412 1.815 40 0 CDABMO CCc1ccc(C[N@H+]2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2C(C)C)cc1 ZINC000585294525 342260075 /nfs/dbraw/zinc/26/00/75/342260075.db2.gz HUGIFCINNMLUSM-TWMKSMIVSA-N 1 1 293.407 1.172 40 0 CDABMO O=C(CN1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCC(F)(F)F ZINC000080959369 362204454 /nfs/dbraw/zinc/20/44/54/362204454.db2.gz KMMZHCKCZGYCBH-SECBINFHSA-N 1 1 290.289 1.268 40 0 CDABMO COc1cccc(C[N@H+]2CC[C@H](c3nc(C)no3)C2)n1 ZINC000332087624 362380444 /nfs/dbraw/zinc/38/04/44/362380444.db2.gz SNMMFBIXEZDNQA-NSHDSACASA-N 1 1 274.324 1.771 40 0 CDABMO Cc1cnc(NCC[C@H]2CCOC23C[NH+](C)C3)nc1 ZINC000253600459 362440645 /nfs/dbraw/zinc/44/06/45/362440645.db2.gz NWHHIQKECRESRC-LBPRGKRZSA-N 1 1 262.357 1.308 40 0 CDABMO Fc1cccc(CN2C[C@@H]3C[N@@H+]([C@@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196263 186162622 /nfs/dbraw/zinc/16/26/22/186162622.db2.gz SDGGTUGKJUYFFV-HLLBOEOZSA-N 1 1 290.382 1.978 40 0 CDABMO Cc1cccc(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)N(C)C)C2)n1 ZINC000107235808 186163141 /nfs/dbraw/zinc/16/31/41/186163141.db2.gz SYWZZOGEMGYICF-HOCLYGCPSA-N 1 1 273.380 1.690 40 0 CDABMO CC(C)[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC000108526595 186220904 /nfs/dbraw/zinc/22/09/04/186220904.db2.gz NKIJBHYJSGEMCS-GJZGRUSLSA-N 1 1 289.379 1.405 40 0 CDABMO CC(C)[N@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC000108526595 186220906 /nfs/dbraw/zinc/22/09/06/186220906.db2.gz NKIJBHYJSGEMCS-GJZGRUSLSA-N 1 1 289.379 1.405 40 0 CDABMO C[N@H+]1CCO[C@@H]2CN(C(=O)C3=CCCCC3)C[C@@H]2C1 ZINC000096107944 283001245 /nfs/dbraw/zinc/00/12/45/283001245.db2.gz DMACNWJAKYWAAI-UONOGXRCSA-N 1 1 264.369 1.276 40 0 CDABMO CC(C)[N@@H+](CCO)C[C@H]1COc2ccccc2O1 ZINC000050103763 355888336 /nfs/dbraw/zinc/88/83/36/355888336.db2.gz PZFNQHKQDFISBZ-LBPRGKRZSA-N 1 1 251.326 1.529 40 0 CDABMO Nc1ccccc1OCCCCC[NH+]1CCNCC1 ZINC000019367445 356482558 /nfs/dbraw/zinc/48/25/58/356482558.db2.gz UGEUMUSYCNRMFG-UHFFFAOYSA-N 1 1 263.385 1.723 40 0 CDABMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC000019527291 356490800 /nfs/dbraw/zinc/49/08/00/356490800.db2.gz NKBHLVZZWOPGSW-ZDUSSCGKSA-N 1 1 277.368 1.694 40 0 CDABMO C([C@H]1CCCCO1)[NH+]1CCN(C[C@@H]2CCCCO2)CC1 ZINC000023478551 356643986 /nfs/dbraw/zinc/64/39/86/356643986.db2.gz UNSLULGNELHPHQ-IYBDPMFKSA-N 1 1 282.428 1.742 40 0 CDABMO CC(C)N(C[C@H]1CC[N@@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079408089 356992174 /nfs/dbraw/zinc/99/21/74/356992174.db2.gz LMZSTACSOOEMGX-ZDUSSCGKSA-N 1 1 286.416 1.946 40 0 CDABMO CN(C[C@@H]1CCC[N@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079410932 356994287 /nfs/dbraw/zinc/99/42/87/356994287.db2.gz WGRPIUODNVOVRW-HNNXBMFYSA-N 1 1 292.379 1.712 40 0 CDABMO COC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000082334611 358160342 /nfs/dbraw/zinc/16/03/42/358160342.db2.gz RPFCXONKHBFPJG-LBPRGKRZSA-N 1 1 276.336 1.754 40 0 CDABMO COCC[N@H+]1CC[C@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158344 358710288 /nfs/dbraw/zinc/71/02/88/358710288.db2.gz NGHBZECWQYBRRX-HNNXBMFYSA-N 1 1 294.374 1.554 40 0 CDABMO C[N@H+]1CC[C@@]2(C1)COCCN(C(=O)Cc1ccsc1)C2 ZINC000096201948 358719363 /nfs/dbraw/zinc/71/93/63/358719363.db2.gz PPTQNOFWAPWTIY-HNNXBMFYSA-N 1 1 294.420 1.471 40 0 CDABMO C(c1nnc(C2CC2)o1)[C@]12COC[C@H]1C[N@H+](C1CCC1)C2 ZINC000096207403 358720395 /nfs/dbraw/zinc/72/03/95/358720395.db2.gz UWDSSSOMXNLCGI-WBMJQRKESA-N 1 1 289.379 1.990 40 0 CDABMO C[N@H+]1CCOCC12CCN(C(=O)Cc1ccsc1)CC2 ZINC000096226154 358723205 /nfs/dbraw/zinc/72/32/05/358723205.db2.gz POKLYIWMBWUYPU-UHFFFAOYSA-N 1 1 294.420 1.614 40 0 CDABMO O=C1CCCN1CC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000336800465 359864525 /nfs/dbraw/zinc/86/45/25/359864525.db2.gz MFOTWCKRJIMOQN-AWEZNQCLSA-N 1 1 259.353 1.841 40 0 CDABMO CCc1ccc([C@H]2[C@H](S(C)(=O)=O)[C@@]2([NH3+])COC)cc1 ZINC000218493792 372913830 /nfs/dbraw/zinc/91/38/30/372913830.db2.gz DVJULQOTMMBCMX-MELADBBJSA-N 1 1 283.393 1.103 40 0 CDABMO Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000136136302 374172683 /nfs/dbraw/zinc/17/26/83/374172683.db2.gz IVLUNOPTXNRKMT-NSHDSACASA-N 1 1 252.745 1.956 40 0 CDABMO C[N@H+](CC(=O)NC1CCCCCCC1)C[C@H](O)C1CC1 ZINC000079767856 374840098 /nfs/dbraw/zinc/84/00/98/374840098.db2.gz FYJCRXAETZJVBD-HNNXBMFYSA-N 1 1 282.428 1.918 40 0 CDABMO Cc1cncc(COCc2cnc3n2CC[NH2+][C@@H]3C)c1 ZINC000306144186 374971575 /nfs/dbraw/zinc/97/15/75/374971575.db2.gz YYMYBQUNZONYAX-GFCCVEGCSA-N 1 1 272.352 1.968 40 0 CDABMO Cc1cc(=O)[nH]c([C@@H]2C[N@H+](CC3CCC3)CCO2)n1 ZINC000257201929 190010912 /nfs/dbraw/zinc/01/09/12/190010912.db2.gz AJQQOCHHFHFGSU-LBPRGKRZSA-N 1 1 263.341 1.664 40 0 CDABMO Cc1cc(=O)[nH]c([C@@H]2C[N@@H+](CC3CCC3)CCO2)n1 ZINC000257201929 190010913 /nfs/dbraw/zinc/01/09/13/190010913.db2.gz AJQQOCHHFHFGSU-LBPRGKRZSA-N 1 1 263.341 1.664 40 0 CDABMO O[C@@H]1CCCOC12CC[NH+](Cc1ncccc1F)CC2 ZINC000257206661 190011578 /nfs/dbraw/zinc/01/15/78/190011578.db2.gz BEKUVOUUDRNOFQ-CQSZACIVSA-N 1 1 280.343 1.727 40 0 CDABMO Cc1c[nH]c([C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257234150 190016904 /nfs/dbraw/zinc/01/69/04/190016904.db2.gz GSJZNCOUPSKECB-GFCCVEGCSA-N 1 1 262.357 1.130 40 0 CDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000217670647 375700884 /nfs/dbraw/zinc/70/08/84/375700884.db2.gz VLUQFGBQDHELRD-VXGBXAGGSA-N 1 1 279.336 1.522 40 0 CDABMO COc1ncc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257216109 190014210 /nfs/dbraw/zinc/01/42/10/190014210.db2.gz CTCXBCORICAKQA-MRXNPFEDSA-N 1 1 298.390 1.974 40 0 CDABMO CNC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000257255125 190021081 /nfs/dbraw/zinc/02/10/81/190021081.db2.gz KGELZUVDLODOAC-LLVKDONJSA-N 1 1 274.324 1.352 40 0 CDABMO COCC(=O)N1CC[C@@]2(C)[C@@H]1CCCCC[N@H+]2C ZINC000257284350 190026129 /nfs/dbraw/zinc/02/61/29/190026129.db2.gz PCIBUHGOCNNWNL-JSGCOSHPSA-N 1 1 254.374 1.498 40 0 CDABMO Cc1nccc([C@H]2C[N@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000257317536 190032444 /nfs/dbraw/zinc/03/24/44/190032444.db2.gz VKEAJVAUKUTWHD-OAHLLOKOSA-N 1 1 291.395 1.854 40 0 CDABMO Cc1nccc([C@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000257317536 190032445 /nfs/dbraw/zinc/03/24/45/190032445.db2.gz VKEAJVAUKUTWHD-OAHLLOKOSA-N 1 1 291.395 1.854 40 0 CDABMO CC(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3ccoc3)C2)C1 ZINC000063527674 378303445 /nfs/dbraw/zinc/30/34/45/378303445.db2.gz XUWDIHJQHQLMQA-OAHLLOKOSA-N 1 1 278.352 1.493 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2ncccc2c1 ZINC000072397590 390627884 /nfs/dbraw/zinc/62/78/84/390627884.db2.gz UMAJYNWLGRKJFT-IAOVAPTHSA-N 1 1 297.402 1.874 40 0 CDABMO CCNc1ncc(C[NH2+]CCN(CC)CC)cn1 ZINC000062718417 392804419 /nfs/dbraw/zinc/80/44/19/392804419.db2.gz GICVUPVZDAVPRH-UHFFFAOYSA-N 1 1 251.378 1.340 40 0 CDABMO CC(C)[N@H+]1CCC[C@@H](c2ccnc3c(C(N)=O)cnn32)C1 ZINC000257284706 397607298 /nfs/dbraw/zinc/60/72/98/397607298.db2.gz PDXGTZIYWXDRBS-LLVKDONJSA-N 1 1 287.367 1.416 40 0 CDABMO Cc1ccc(CN(C)C[C@@]2(O)CCC[N@@H+](C)C2)o1 ZINC000046087367 175391861 /nfs/dbraw/zinc/39/18/61/175391861.db2.gz CXHZLDMQJPLJRK-CQSZACIVSA-N 1 1 252.358 1.477 40 0 CDABMO C[N@H+]1CCC[C@H]1c1cncc(Nc2cnccn2)n1 ZINC000072376202 176385152 /nfs/dbraw/zinc/38/51/52/176385152.db2.gz AUCUMDCDVMXVHW-NSHDSACASA-N 1 1 256.313 1.777 40 0 CDABMO C[C@@]1(C(N)=O)C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000072379916 176387312 /nfs/dbraw/zinc/38/73/12/176387312.db2.gz SDCUFNNABBADBZ-HNNXBMFYSA-N 1 1 273.336 1.244 40 0 CDABMO C[C@@]1(C(N)=O)C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000072379916 176387314 /nfs/dbraw/zinc/38/73/14/176387314.db2.gz SDCUFNNABBADBZ-HNNXBMFYSA-N 1 1 273.336 1.244 40 0 CDABMO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)cc1 ZINC000072397571 176395133 /nfs/dbraw/zinc/39/51/33/176395133.db2.gz VXPYDZKZWJSQAM-AEGPPILISA-N 1 1 276.380 1.335 40 0 CDABMO Cc1nc(NC[C@@H]2CCCO2)nc2c1C[N@@H+](C)CC2 ZINC000072415032 176399228 /nfs/dbraw/zinc/39/92/28/176399228.db2.gz ZQQLVEOONZGEMR-NSHDSACASA-N 1 1 262.357 1.364 40 0 CDABMO CN1C(=O)CCC[C@@H]2C[N@@H+](Cc3cscn3)CC[C@H]21 ZINC000257211599 277006433 /nfs/dbraw/zinc/00/64/33/277006433.db2.gz BZMMOWCSRGCKJC-DGCLKSJQSA-N 1 1 279.409 1.976 40 0 CDABMO CN1C(=O)CCC[C@@H]2C[N@H+](Cc3cscn3)CC[C@H]21 ZINC000257211599 277006434 /nfs/dbraw/zinc/00/64/34/277006434.db2.gz BZMMOWCSRGCKJC-DGCLKSJQSA-N 1 1 279.409 1.976 40 0 CDABMO CC(C)C[C@H](C)C[NH+]1CCN(CCS(C)(=O)=O)CC1 ZINC000225628070 279095513 /nfs/dbraw/zinc/09/55/13/279095513.db2.gz ROPPQJUKLZGSKC-AWEZNQCLSA-N 1 1 290.473 1.331 40 0 CDABMO COc1ccc([C@@H]2C[N@@H+](C)C[C@H]2CO)cc1OC ZINC000242718285 482431708 /nfs/dbraw/zinc/43/17/08/482431708.db2.gz XHXDOFSAVHGMOV-RYUDHWBXSA-N 1 1 251.326 1.341 40 0 CDABMO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)OC)c1 ZINC000048921983 482464688 /nfs/dbraw/zinc/46/46/88/482464688.db2.gz BZHXVFJBOOAYFH-CYBMUJFWSA-N 1 1 276.336 1.184 40 0 CDABMO CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc(C(=O)OC)c1 ZINC000048921983 482464689 /nfs/dbraw/zinc/46/46/89/482464689.db2.gz BZHXVFJBOOAYFH-CYBMUJFWSA-N 1 1 276.336 1.184 40 0 CDABMO COc1c2c(ccc1C[NH2+]CC(OC)OC)OCO2 ZINC000034294884 1165737860 /nfs/dbraw/zinc/73/78/60/1165737860.db2.gz IPMPVILIJBJZHY-UHFFFAOYSA-N 1 1 269.297 1.132 40 0 CDABMO CN(C)C(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096038689 185069179 /nfs/dbraw/zinc/06/91/79/185069179.db2.gz WNWCDPZRZZOTAX-BXUZGUMPSA-N 1 1 295.408 1.212 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096043215 185070527 /nfs/dbraw/zinc/07/05/27/185070527.db2.gz RZSWMCDSVKPWOO-XQQFMLRXSA-N 1 1 280.393 1.474 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042691 185070600 /nfs/dbraw/zinc/07/06/00/185070600.db2.gz OKFVGCIOKQWXMU-BFHYXJOUSA-N 1 1 294.420 1.816 40 0 CDABMO CCn1cc2c(n1)[C@H](COC)C[N@H+](CC1CCOCC1)C2 ZINC000096059896 185081109 /nfs/dbraw/zinc/08/11/09/185081109.db2.gz BUBIHSRLPNNBIV-HNNXBMFYSA-N 1 1 293.411 1.875 40 0 CDABMO Cn1cc(C[C@H]2[C@H](O)CC[N@H+]2Cc2ccsc2)cn1 ZINC000096061613 185082233 /nfs/dbraw/zinc/08/22/33/185082233.db2.gz RQMVIBNYNPUPCJ-UONOGXRCSA-N 1 1 277.393 1.660 40 0 CDABMO COc1cc(N2CC[C@]3(CC[N@H+]3CC3CC3)C2)ncn1 ZINC000096075985 185089034 /nfs/dbraw/zinc/08/90/34/185089034.db2.gz LYXVBXPHKPJUDK-HNNXBMFYSA-N 1 1 274.368 1.550 40 0 CDABMO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096080967 185091247 /nfs/dbraw/zinc/09/12/47/185091247.db2.gz IYYWLGUGPXANNQ-TXEJJXNPSA-N 1 1 279.409 1.803 40 0 CDABMO COc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000096629228 185107997 /nfs/dbraw/zinc/10/79/97/185107997.db2.gz NMFLVZAMHIGYGU-AWEZNQCLSA-N 1 1 276.380 1.696 40 0 CDABMO CC(=O)N1CC2(C1)C[C@@H](COc1ccccn1)CC[N@@H+]2C ZINC000585103259 342212715 /nfs/dbraw/zinc/21/27/15/342212715.db2.gz SNUDTQFRZGGFRM-AWEZNQCLSA-N 1 1 289.379 1.403 40 0 CDABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccnc(NC)c1 ZINC000585181463 342232696 /nfs/dbraw/zinc/23/26/96/342232696.db2.gz RVAANDOVTTYJNU-CQSZACIVSA-N 1 1 290.411 1.551 40 0 CDABMO CO[C@@H]1CC[N@@H+](CCC(N)=O)C[C@H]1Cc1ccccc1 ZINC000585269451 342255580 /nfs/dbraw/zinc/25/55/80/342255580.db2.gz VBHRCWFXUBVBOS-HUUCEWRRSA-N 1 1 276.380 1.441 40 0 CDABMO C[NH+]1CC2(C1)C[C@H](CCOc1ccccn1)CCO2 ZINC000248088344 362150259 /nfs/dbraw/zinc/15/02/59/362150259.db2.gz UJEIAEVWDBOMSJ-CYBMUJFWSA-N 1 1 262.353 1.961 40 0 CDABMO O=C(COC[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCOCC1 ZINC000253493689 342429815 /nfs/dbraw/zinc/42/98/15/342429815.db2.gz UZCRBOXJXRSIAX-LSDHHAIUSA-N 1 1 296.411 1.126 40 0 CDABMO CC(C)(C)[C@H]([NH2+]Cc1cccc(F)c1F)C(N)=O ZINC000081615457 362217298 /nfs/dbraw/zinc/21/72/98/362217298.db2.gz VFTDUFTYWJXRFZ-LLVKDONJSA-N 1 1 256.296 1.954 40 0 CDABMO CCn1nnc2c1CC[NH2+][C@@H]2COCc1ccccc1 ZINC000104454358 186006560 /nfs/dbraw/zinc/00/65/60/186006560.db2.gz RLXQATJMZYQSHG-CYBMUJFWSA-N 1 1 272.352 1.702 40 0 CDABMO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H]2CCOC2)s1 ZINC000107200897 186162242 /nfs/dbraw/zinc/16/22/42/186162242.db2.gz DOPCMFRKOYCASB-TUAOUCFPSA-N 1 1 280.397 1.228 40 0 CDABMO CNC(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1cn(C)nc1C)C2 ZINC000108532695 186221598 /nfs/dbraw/zinc/22/15/98/186221598.db2.gz SACSIEUMWGEEAJ-ZBFHGGJFSA-N 1 1 290.411 1.467 40 0 CDABMO COc1cc2nnn(-c3cc[nH+]cc3)c2cc1OC ZINC000001563083 355940249 /nfs/dbraw/zinc/94/02/49/355940249.db2.gz SBEXHYUDPZAGJK-UHFFFAOYSA-N 1 1 256.265 1.833 40 0 CDABMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079407840 356991327 /nfs/dbraw/zinc/99/13/27/356991327.db2.gz BMVGUWHUYRVAJF-NSHDSACASA-N 1 1 258.362 1.215 40 0 CDABMO Cc1cc(N2CCN(C(=O)c3cccnc3)CC2)nc(C)[nH+]1 ZINC000052447522 357272922 /nfs/dbraw/zinc/27/29/22/357272922.db2.gz HAXOKPAQZDLOHY-UHFFFAOYSA-N 1 1 297.362 1.451 40 0 CDABMO CC1CCC(OC[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000041690162 363597110 /nfs/dbraw/zinc/59/71/10/363597110.db2.gz UJJCSGYRYNPEAL-SLTAFYQDSA-N 1 1 270.417 1.190 40 0 CDABMO COC[C@H]1C[N@@H+](CC2CC2)C2(CN(c3ncccn3)C2)C1 ZINC000585094009 358099959 /nfs/dbraw/zinc/09/99/59/358099959.db2.gz YWQWRUDXHVZSAD-CQSZACIVSA-N 1 1 288.395 1.414 40 0 CDABMO CO[C@H]1CC[N@@H+](C[C@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200492 358717991 /nfs/dbraw/zinc/71/79/91/358717991.db2.gz OPHSKPHKPVVZEQ-PMPSAXMXSA-N 1 1 276.380 1.750 40 0 CDABMO C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 ZINC000096228721 358724177 /nfs/dbraw/zinc/72/41/77/358724177.db2.gz XNKMCPGOWJARBL-INIZCTEOSA-N 1 1 289.379 1.266 40 0 CDABMO CC[N@H+]1C[C@H]2C[C@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000096253365 358727579 /nfs/dbraw/zinc/72/75/79/358727579.db2.gz FZLPDGULWQAWHH-FRRDWIJNSA-N 1 1 261.325 1.129 40 0 CDABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(CCO)C[C@H]12 ZINC000096251837 358728047 /nfs/dbraw/zinc/72/80/47/358728047.db2.gz KTKVBRBKVDEJEQ-JKSUJKDBSA-N 1 1 260.381 1.327 40 0 CDABMO CN1CC[C@]2(c3ccccc3)CC[N@H+](CCO)C[C@H]12 ZINC000096251837 358728050 /nfs/dbraw/zinc/72/80/50/358728050.db2.gz KTKVBRBKVDEJEQ-JKSUJKDBSA-N 1 1 260.381 1.327 40 0 CDABMO CN1CC[C@]2(c3ccccc3)CC[N@@H+](CCO)C[C@H]12 ZINC000096251837 358728051 /nfs/dbraw/zinc/72/80/51/358728051.db2.gz KTKVBRBKVDEJEQ-JKSUJKDBSA-N 1 1 260.381 1.327 40 0 CDABMO CC(=O)N1CCC2(CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC000096268707 358730535 /nfs/dbraw/zinc/73/05/35/358730535.db2.gz RIHPCYLUMIGPIE-AWEZNQCLSA-N 1 1 266.385 1.357 40 0 CDABMO [NH3+]CC(=O)c1c(F)ccc(F)c1Br ZINC000258834155 283421196 /nfs/dbraw/zinc/42/11/96/283421196.db2.gz OIHFRRAVXLQTGT-UHFFFAOYSA-N 1 1 250.042 1.869 40 0 CDABMO COC[C@@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218462249 372827043 /nfs/dbraw/zinc/82/70/43/372827043.db2.gz BVYZNJDIDHFNJL-SDDRHHMPSA-N 1 1 289.784 1.194 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@@]1([NH3+])COC ZINC000218580312 373038600 /nfs/dbraw/zinc/03/86/00/373038600.db2.gz PHUVZNWYQZQNBN-XQQFMLRXSA-N 1 1 287.356 1.070 40 0 CDABMO COc1ccccc1C[NH2+]CC(=O)Nc1cc(C)on1 ZINC000057467034 375506632 /nfs/dbraw/zinc/50/66/32/375506632.db2.gz DANRIIHCIYWDBF-UHFFFAOYSA-N 1 1 275.308 1.720 40 0 CDABMO COc1ccc([C@H]2CN(Cc3cnccn3)CC[N@@H+]2C)cc1 ZINC000257268356 190024156 /nfs/dbraw/zinc/02/41/56/190024156.db2.gz MLIVEAMDHARKLS-QGZVFWFLSA-N 1 1 298.390 1.974 40 0 CDABMO COc1ccc([C@H]2CN(Cc3cnccn3)CC[N@H+]2C)cc1 ZINC000257268356 190024157 /nfs/dbraw/zinc/02/41/57/190024157.db2.gz MLIVEAMDHARKLS-QGZVFWFLSA-N 1 1 298.390 1.974 40 0 CDABMO COCCOCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257341032 190037362 /nfs/dbraw/zinc/03/73/62/190037362.db2.gz ZINYYHPKPHPKPE-HOCLYGCPSA-N 1 1 298.427 1.515 40 0 CDABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096526070 390541028 /nfs/dbraw/zinc/54/10/28/390541028.db2.gz FFVTWRQYJMZTKR-UWVGGRQHSA-N 1 1 258.243 1.936 40 0 CDABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 ZINC000072227552 390626188 /nfs/dbraw/zinc/62/61/88/390626188.db2.gz LIWOJILYQSYCQK-HUUCEWRRSA-N 1 1 282.299 1.831 40 0 CDABMO COC[C@@H]1CCC2(CCN(c3ncccn3)CC2)[N@H+]1C ZINC000096207143 390913429 /nfs/dbraw/zinc/91/34/29/390913429.db2.gz IYGDPIFQQDNDQH-ZDUSSCGKSA-N 1 1 276.384 1.556 40 0 CDABMO COCC[N@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC000096216946 390913455 /nfs/dbraw/zinc/91/34/55/390913455.db2.gz UNWKOQNBHYOHEU-OAHLLOKOSA-N 1 1 276.384 1.415 40 0 CDABMO CC(C)CC[N@H+]1C[C@H]2C[C@@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000248235985 391429516 /nfs/dbraw/zinc/42/95/16/391429516.db2.gz CDIQOOSQMSMVMP-RBSFLKMASA-N 1 1 280.412 1.791 40 0 CDABMO Cc1nn(C)cc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000020349864 171155237 /nfs/dbraw/zinc/15/52/37/171155237.db2.gz XJQBQVVTFNNUIT-UHFFFAOYSA-N 1 1 287.289 1.771 40 0 CDABMO CCn1nc(C)c(CCC(=O)N2CC[NH+](CC)CC2)c1C ZINC000072240490 176348562 /nfs/dbraw/zinc/34/85/62/176348562.db2.gz SMNWIVNLNVPWKC-UHFFFAOYSA-N 1 1 292.427 1.617 40 0 CDABMO Cc1nc([C@@H]2CCC[N@H+](C(C)C)C2)ncc1C(N)=O ZINC000072351998 176374582 /nfs/dbraw/zinc/37/45/82/176374582.db2.gz ZSNHDLZLOJIRJO-LLVKDONJSA-N 1 1 262.357 1.472 40 0 CDABMO COCCn1cnnc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072361120 176376860 /nfs/dbraw/zinc/37/68/60/176376860.db2.gz ZVYLNHAQEQFOES-GFCCVEGCSA-N 1 1 252.362 1.717 40 0 CDABMO CN(C)c1ncc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000072369531 176383996 /nfs/dbraw/zinc/38/39/96/176383996.db2.gz AYJQIRZWWSOVMB-ZDUSSCGKSA-N 1 1 286.383 1.645 40 0 CDABMO NC(=O)c1ccc([C@H]2C[N@@H+](C3CCCC3)CCO2)nc1 ZINC000072380853 176387057 /nfs/dbraw/zinc/38/70/57/176387057.db2.gz FUSKBQASAVZREB-CQSZACIVSA-N 1 1 275.352 1.496 40 0 CDABMO NC(=O)c1ccc([C@H]2C[N@H+](C3CCCC3)CCO2)nc1 ZINC000072380853 176387058 /nfs/dbraw/zinc/38/70/58/176387058.db2.gz FUSKBQASAVZREB-CQSZACIVSA-N 1 1 275.352 1.496 40 0 CDABMO Nc1ccc(C[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)nn1 ZINC000072387286 176392537 /nfs/dbraw/zinc/39/25/37/176392537.db2.gz YETUVDRDWSAMNR-LLVKDONJSA-N 1 1 272.356 1.237 40 0 CDABMO Nc1ccc(C[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)nn1 ZINC000072387286 176392539 /nfs/dbraw/zinc/39/25/39/176392539.db2.gz YETUVDRDWSAMNR-LLVKDONJSA-N 1 1 272.356 1.237 40 0 CDABMO Nc1ccc(C[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)nn1 ZINC000072387286 176392540 /nfs/dbraw/zinc/39/25/40/176392540.db2.gz YETUVDRDWSAMNR-LLVKDONJSA-N 1 1 272.356 1.237 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2ncccc2c1 ZINC000072397656 176394811 /nfs/dbraw/zinc/39/48/11/176394811.db2.gz UMAJYNWLGRKJFT-KBRIMQKVSA-N 1 1 297.402 1.874 40 0 CDABMO CC(=O)N1CCO[C@]2(CCC[N@H+](CC(C)C)C2)C1 ZINC000063527590 277000738 /nfs/dbraw/zinc/00/07/38/277000738.db2.gz AODMSANYAFMLAM-AWEZNQCLSA-N 1 1 254.374 1.356 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@@H]1CCC=CO1)CC2 ZINC000019576534 282007464 /nfs/dbraw/zinc/00/74/64/282007464.db2.gz JZRWWLBJRXLPCS-NSHDSACASA-N 1 1 261.325 1.129 40 0 CDABMO C[N@H+]1C[C@H]2CCC[C@]3(C1)C(=O)NC1(CCCCC1)N=C23 ZINC000000517750 290310103 /nfs/dbraw/zinc/31/01/03/290310103.db2.gz AYPMERHGGUTLLS-IUODEOHRSA-N 1 1 275.396 1.950 40 0 CDABMO CCOC(=O)[C@@H]1CC(c2cnc(NC(C)C)nc2)=[NH+]O1 ZINC000226080600 1160425312 /nfs/dbraw/zinc/42/53/12/1160425312.db2.gz GPIQBPMXAGPEEJ-NSHDSACASA-N 1 1 278.312 1.353 40 0 CDABMO CCNC(=O)[C@]1(C)CC(c2cnc(NC(C)C)nc2)=[NH+]O1 ZINC000226084449 1161389998 /nfs/dbraw/zinc/38/99/98/1161389998.db2.gz YNAWBTNPHMFJAL-AWEZNQCLSA-N 1 1 291.355 1.316 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N3)CC2)cn1 ZINC000096047443 185072684 /nfs/dbraw/zinc/07/26/84/185072684.db2.gz GVHQKHFCAFRZRA-AWEZNQCLSA-N 1 1 262.357 1.055 40 0 CDABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)N(C)C)CC2 ZINC000096051780 185074839 /nfs/dbraw/zinc/07/48/39/185074839.db2.gz UADROWACUCNOIT-CQSZACIVSA-N 1 1 297.443 1.879 40 0 CDABMO Cc1noc(C)c1CN1CCO[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000096054368 185075757 /nfs/dbraw/zinc/07/57/57/185075757.db2.gz QJWGYRGNFWAPOU-CVEARBPZSA-N 1 1 291.395 1.586 40 0 CDABMO CN1C[C@]2(CCC[N@H+](Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099398 342212173 /nfs/dbraw/zinc/21/21/73/342212173.db2.gz IBXUQXMLWVPWIK-ZDUSSCGKSA-N 1 1 280.759 1.184 40 0 CDABMO CN1C[C@]2(CCC[N@@H+](Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099398 342212174 /nfs/dbraw/zinc/21/21/74/342212174.db2.gz IBXUQXMLWVPWIK-ZDUSSCGKSA-N 1 1 280.759 1.184 40 0 CDABMO CCOCC[N@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269281 342254555 /nfs/dbraw/zinc/25/45/55/342254555.db2.gz OGJHOKAUMVUZFJ-INIZCTEOSA-N 1 1 279.380 1.929 40 0 CDABMO O[C@@H]1[C@H](Oc2cccc(F)c2)CC[C@H]1[NH+]1CCOCC1 ZINC000585284858 342258658 /nfs/dbraw/zinc/25/86/58/342258658.db2.gz IPHQBOIITPYYPA-KFWWJZLASA-N 1 1 281.327 1.429 40 0 CDABMO O=C(C1CC[NH2+]CC1)N1CCNC[C@@H]1c1ccccc1 ZINC000169815649 362161340 /nfs/dbraw/zinc/16/13/40/362161340.db2.gz DELNFBCRHJOYBI-OAHLLOKOSA-N 1 1 273.380 1.159 40 0 CDABMO COCCOCC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C ZINC000257313571 362585987 /nfs/dbraw/zinc/58/59/87/362585987.db2.gz UTFRVVGMGNPDHJ-ZFWWWQNUSA-N 1 1 284.400 1.125 40 0 CDABMO c1coc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000107746625 186189639 /nfs/dbraw/zinc/18/96/39/186189639.db2.gz ZWTCNAXGRQULHT-ZBFHGGJFSA-N 1 1 276.380 1.965 40 0 CDABMO CCN1C[C@@H]([NH2+][C@H](C)c2cc3n(n2)CCC3)CC1=O ZINC000333948647 363255422 /nfs/dbraw/zinc/25/54/22/363255422.db2.gz WMTRQLQITOJZLA-MNOVXSKESA-N 1 1 262.357 1.101 40 0 CDABMO N#CN=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1ccccc1)C2 ZINC000072415029 283056007 /nfs/dbraw/zinc/05/60/07/283056007.db2.gz OPHKZUGZECHVEW-UHFFFAOYSA-N 1 1 281.319 1.633 40 0 CDABMO N#CN=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1ccccc1)C2 ZINC000072415029 283056010 /nfs/dbraw/zinc/05/60/10/283056010.db2.gz OPHKZUGZECHVEW-UHFFFAOYSA-N 1 1 281.319 1.633 40 0 CDABMO CN(C)c1ncc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)cn1 ZINC000019585521 356492109 /nfs/dbraw/zinc/49/21/09/356492109.db2.gz RNJVCBWOBGPMEX-CQSZACIVSA-N 1 1 298.394 1.712 40 0 CDABMO CC(C)(C)OC(=O)N(C[C@@H]1CC[N@@H+](CCO)C1)C1CC1 ZINC000079408190 356992052 /nfs/dbraw/zinc/99/20/52/356992052.db2.gz PPFICRCNTMBZCF-GFCCVEGCSA-N 1 1 284.400 1.700 40 0 CDABMO C[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079415994 356994941 /nfs/dbraw/zinc/99/49/41/356994941.db2.gz NRIFDBSDRALQHL-CQSZACIVSA-N 1 1 262.353 1.525 40 0 CDABMO C[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000079415994 356994944 /nfs/dbraw/zinc/99/49/44/356994944.db2.gz NRIFDBSDRALQHL-CQSZACIVSA-N 1 1 262.353 1.525 40 0 CDABMO C[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000079415994 356994948 /nfs/dbraw/zinc/99/49/48/356994948.db2.gz NRIFDBSDRALQHL-CQSZACIVSA-N 1 1 262.353 1.525 40 0 CDABMO COC(=O)c1ccccc1Nc1cc(C)[nH+]c(N)n1 ZINC000049468256 357215577 /nfs/dbraw/zinc/21/55/77/357215577.db2.gz MAMWLQVCASISKE-UHFFFAOYSA-N 1 1 258.281 1.897 40 0 CDABMO NCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079404110 358068822 /nfs/dbraw/zinc/06/88/22/358068822.db2.gz CHSRVIMTHWTFTE-CQSZACIVSA-N 1 1 261.369 1.116 40 0 CDABMO NCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079404110 358068826 /nfs/dbraw/zinc/06/88/26/358068826.db2.gz CHSRVIMTHWTFTE-CQSZACIVSA-N 1 1 261.369 1.116 40 0 CDABMO O=C(Nc1cccc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000019597513 358107200 /nfs/dbraw/zinc/10/72/00/358107200.db2.gz NVQUYEWKMUYYNM-UHFFFAOYSA-N 1 1 299.374 1.982 40 0 CDABMO COC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000082334530 358160973 /nfs/dbraw/zinc/16/09/73/358160973.db2.gz ZXEXAKWRDSSWMC-GFCCVEGCSA-N 1 1 276.336 1.754 40 0 CDABMO COC[C@H]1Cn2ncnc2C[N@@H+](CC2CCC2)C1 ZINC000096189203 358714819 /nfs/dbraw/zinc/71/48/19/358714819.db2.gz RTFAVJAAOIAEMF-GFCCVEGCSA-N 1 1 250.346 1.156 40 0 CDABMO Cc1ccc2c([nH+]1)N(CC(C)C)CCN(S(C)(=O)=O)C2 ZINC000096199013 358717610 /nfs/dbraw/zinc/71/76/10/358717610.db2.gz NPQNRZBBUBEMIO-UHFFFAOYSA-N 1 1 297.424 1.628 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]1O2 ZINC000096252760 358727778 /nfs/dbraw/zinc/72/77/78/358727778.db2.gz WUMOTVXRKWMJCZ-QLFBSQMISA-N 1 1 274.364 1.330 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]1O2 ZINC000096252760 358727782 /nfs/dbraw/zinc/72/77/82/358727782.db2.gz WUMOTVXRKWMJCZ-QLFBSQMISA-N 1 1 274.364 1.330 40 0 CDABMO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@@H+](CC(C)C)C[C@H]1O2 ZINC000096252960 358727803 /nfs/dbraw/zinc/72/78/03/358727803.db2.gz ZMLXNQLECUBLDM-HZSPNIEDSA-N 1 1 268.401 1.504 40 0 CDABMO CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(c1cnccn1)C2 ZINC000096255847 358728341 /nfs/dbraw/zinc/72/83/41/358728341.db2.gz AIBASEGUIJNWSW-UHFFFAOYSA-N 1 1 286.383 1.603 40 0 CDABMO CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000096268684 358731002 /nfs/dbraw/zinc/73/10/02/358731002.db2.gz PUYPJOXZVGIAHE-GJZGRUSLSA-N 1 1 266.385 1.357 40 0 CDABMO CS(=O)(=O)CC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000079311595 374281110 /nfs/dbraw/zinc/28/11/10/374281110.db2.gz JXHBNLPRPVOIJL-OAHLLOKOSA-N 1 1 297.420 1.403 40 0 CDABMO CS(=O)(=O)CC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000079311595 374281117 /nfs/dbraw/zinc/28/11/17/374281117.db2.gz JXHBNLPRPVOIJL-OAHLLOKOSA-N 1 1 297.420 1.403 40 0 CDABMO CN(C)C(=O)c1cc(C[C@@H]2CCC[N@@H+](C)C2)ncn1 ZINC000257245325 190019098 /nfs/dbraw/zinc/01/90/98/190019098.db2.gz IOZFFGABJOVZBG-NSHDSACASA-N 1 1 262.357 1.063 40 0 CDABMO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000257244158 190019293 /nfs/dbraw/zinc/01/92/93/190019293.db2.gz IKDRWRMUHCNPSL-CYBMUJFWSA-N 1 1 273.384 1.906 40 0 CDABMO CN(C)C(=O)c1cc(C[C@H]2CCC[N@@H+](C)CC2)ncn1 ZINC000257244477 190019302 /nfs/dbraw/zinc/01/93/02/190019302.db2.gz ILNFRUDJERQDPT-LBPRGKRZSA-N 1 1 276.384 1.453 40 0 CDABMO Cc1nccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)n1 ZINC000257272743 190024590 /nfs/dbraw/zinc/02/45/90/190024590.db2.gz NDRFLTWLGZJFNJ-HZPDHXFCSA-N 1 1 285.347 1.409 40 0 CDABMO Cc1nccc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)n1 ZINC000257272743 190024591 /nfs/dbraw/zinc/02/45/91/190024591.db2.gz NDRFLTWLGZJFNJ-HZPDHXFCSA-N 1 1 285.347 1.409 40 0 CDABMO Cc1nc[nH]c1C[N@@H+]1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257318969 190033235 /nfs/dbraw/zinc/03/32/35/190033235.db2.gz VQCVKNBTSMMRPD-ZDUSSCGKSA-N 1 1 287.367 1.199 40 0 CDABMO Cc1nc[nH]c1C[N@H+]1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257318969 190033236 /nfs/dbraw/zinc/03/32/36/190033236.db2.gz VQCVKNBTSMMRPD-ZDUSSCGKSA-N 1 1 287.367 1.199 40 0 CDABMO COC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060043 285299902 /nfs/dbraw/zinc/29/99/02/285299902.db2.gz XXMLPTPFYTWZGF-AWEZNQCLSA-N 1 1 279.384 1.392 40 0 CDABMO COc1cccc(CC(=O)N2CC[C@H]3[C@H]2CC[N@H+]3C)c1 ZINC000096184256 256814785 /nfs/dbraw/zinc/81/47/85/256814785.db2.gz VZVUQHGVSNWNSS-LSDHHAIUSA-N 1 1 274.364 1.543 40 0 CDABMO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC2)O1 ZINC000096056406 390912457 /nfs/dbraw/zinc/91/24/57/390912457.db2.gz UBPJPONUSDNRFF-RBSFLKMASA-N 1 1 296.411 1.123 40 0 CDABMO O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)NC1CCCCC1 ZINC000014607354 391217863 /nfs/dbraw/zinc/21/78/63/391217863.db2.gz RNELIEXFFBGTBO-RDBSUJKOSA-N 1 1 293.411 1.225 40 0 CDABMO CCN(CC)C[C@@H](O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000004721592 170004936 /nfs/dbraw/zinc/00/49/36/170004936.db2.gz UHQFQSLVYHDGKB-RBSFLKMASA-N 1 1 254.418 1.811 40 0 CDABMO C[C@@H](NCC[NH+](C)C)C(=O)N1CCc2ccccc21 ZINC000022586172 171393350 /nfs/dbraw/zinc/39/33/50/171393350.db2.gz NHSODKFYYNGQJT-GFCCVEGCSA-N 1 1 261.369 1.115 40 0 CDABMO NC(=O)C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000072363766 176378276 /nfs/dbraw/zinc/37/82/76/176378276.db2.gz VDRNGDHXSNDGKA-SSDOTTSWSA-N 1 1 276.262 1.093 40 0 CDABMO NC(=O)C[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000072363766 176378277 /nfs/dbraw/zinc/37/82/77/176378277.db2.gz VDRNGDHXSNDGKA-SSDOTTSWSA-N 1 1 276.262 1.093 40 0 CDABMO CC(=O)N1CC[N@H+](C)C[C@@H](COc2ccccc2)C1 ZINC000072374463 176385129 /nfs/dbraw/zinc/38/51/29/176385129.db2.gz PHYBICMTHJIBAE-CQSZACIVSA-N 1 1 262.353 1.476 40 0 CDABMO CNc1cc(Nc2nccc([C@H]3CCC[N@H+]3C)n2)ncn1 ZINC000072377383 176385803 /nfs/dbraw/zinc/38/58/03/176385803.db2.gz AHMXFBLIUWHOCG-LLVKDONJSA-N 1 1 285.355 1.819 40 0 CDABMO CCn1cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)n1 ZINC000072397555 176394747 /nfs/dbraw/zinc/39/47/47/176394747.db2.gz INJWRBVZHZPBNK-IUODEOHRSA-N 1 1 262.401 1.880 40 0 CDABMO COc1ccc(C[NH2+][C@@H]2CCCNC2=O)c(Cl)c1OC ZINC000078603728 177358954 /nfs/dbraw/zinc/35/89/54/177358954.db2.gz IPVDJSXEWXCGQH-SNVBAGLBSA-N 1 1 298.770 1.725 40 0 CDABMO COc1ccccc1[C@H]1CN(c2ccncn2)CC[N@@H+]1C ZINC000257229344 278063181 /nfs/dbraw/zinc/06/31/81/278063181.db2.gz FXSXWEBHNQSENL-CQSZACIVSA-N 1 1 284.363 1.978 40 0 CDABMO COc1ccccc1[C@H]1CN(c2ccncn2)CC[N@H+]1C ZINC000257229344 278063182 /nfs/dbraw/zinc/06/31/82/278063182.db2.gz FXSXWEBHNQSENL-CQSZACIVSA-N 1 1 284.363 1.978 40 0 CDABMO Cn1cnc2c1[C@@H](C(=O)N1CC=CC1)C[N@@H+](C1CCC1)C2 ZINC000248025201 279386950 /nfs/dbraw/zinc/38/69/50/279386950.db2.gz JIIWEJCHFIMZQZ-ZDUSSCGKSA-N 1 1 286.379 1.270 40 0 CDABMO Cn1cnc2c1[C@@H](C(=O)N1CC=CC1)C[N@H+](C1CCC1)C2 ZINC000248025201 279386952 /nfs/dbraw/zinc/38/69/52/279386952.db2.gz JIIWEJCHFIMZQZ-ZDUSSCGKSA-N 1 1 286.379 1.270 40 0 CDABMO NC(=O)[C@]1(c2cnccn2)CCC[N@H+]1CC1CCCCC1 ZINC000257234044 295168056 /nfs/dbraw/zinc/16/80/56/295168056.db2.gz GRWBQBGTWJGDCR-MRXNPFEDSA-N 1 1 288.395 1.833 40 0 CDABMO COc1cc(N2CC[NH+](Cc3cccs3)CC2)ncn1 ZINC000133381243 323211105 /nfs/dbraw/zinc/21/11/05/323211105.db2.gz KFRGVZNMDSHIEG-UHFFFAOYSA-N 1 1 290.392 1.869 40 0 CDABMO O=C(NCCOc1ccc(F)cc1F)[C@H]1CSC[NH2+]1 ZINC000158993892 323213171 /nfs/dbraw/zinc/21/31/71/323213171.db2.gz YINPUDLZTQOZCD-SNVBAGLBSA-N 1 1 288.319 1.122 40 0 CDABMO Cc1ncsc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000682556429 483285751 /nfs/dbraw/zinc/28/57/51/483285751.db2.gz JBNZVESHSFILGY-JBLDHEPKSA-N 1 1 265.382 1.537 40 0 CDABMO [NH3+][C@@H]1CC[C@H](CN2Cc3ccccc3NC(=O)C2)C1 ZINC000903463727 625996328 /nfs/dbraw/zinc/99/63/28/625996328.db2.gz KKEQVEAIQQUXGB-WCQYABFASA-N 1 1 259.353 1.568 40 0 CDABMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2cccnn2)C1 ZINC000930346992 776880490 /nfs/dbraw/zinc/88/04/90/776880490.db2.gz LSBMFSWSQCUTIT-CYBMUJFWSA-N 1 1 289.383 1.672 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccoc2)C1 ZINC000096083187 185092754 /nfs/dbraw/zinc/09/27/54/185092754.db2.gz TYYGCGOJENKWQE-BFHYXJOUSA-N 1 1 278.352 1.347 40 0 CDABMO CC[C@H](C)[N@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099474 342212168 /nfs/dbraw/zinc/21/21/68/342212168.db2.gz MBXKHOHUZYIKIJ-SWLSCSKDSA-N 1 1 274.368 1.704 40 0 CDABMO CCCC[N@H+]1CCC[C@@]2(CC(C(=O)NC)=NO2)C1 ZINC000585101297 342212349 /nfs/dbraw/zinc/21/23/49/342212349.db2.gz WGPJCZKHPTWNIZ-CYBMUJFWSA-N 1 1 253.346 1.143 40 0 CDABMO O[C@]1(COc2ccccc2)COCC[N@@H+](CC2CC2)C1 ZINC000585269338 342254539 /nfs/dbraw/zinc/25/45/39/342254539.db2.gz PRNYYJORBQDVMW-INIZCTEOSA-N 1 1 277.364 1.539 40 0 CDABMO CCc1ncc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)cn1 ZINC000585285304 342258686 /nfs/dbraw/zinc/25/86/86/342258686.db2.gz XJGKXFWHAAWYCR-HNNXBMFYSA-N 1 1 275.352 1.711 40 0 CDABMO CN(Cc1cccnc1)C[C@H]1CC[C@@]2(C[NH2+]CCOC2)O1 ZINC000248007214 362143927 /nfs/dbraw/zinc/14/39/27/362143927.db2.gz ATCPTTQXVGVUEM-CVEARBPZSA-N 1 1 291.395 1.051 40 0 CDABMO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000248257992 362159266 /nfs/dbraw/zinc/15/92/66/362159266.db2.gz VGKQIWWCSFBJTP-ZIAGYGMSSA-N 1 1 259.353 1.494 40 0 CDABMO c1coc(CN2CC[N@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588942 362439372 /nfs/dbraw/zinc/43/93/72/362439372.db2.gz ZWTCNAXGRQULHT-HOCLYGCPSA-N 1 1 276.380 1.965 40 0 CDABMO O=C(NC[C@H]1CCC[N@@H+]1CCO)OCc1ccccc1 ZINC000079410866 356993498 /nfs/dbraw/zinc/99/34/98/356993498.db2.gz PKCBVRHWEFPIIV-CQSZACIVSA-N 1 1 278.352 1.370 40 0 CDABMO CN(C)CC(C)(C)C[NH2+]CCC(=O)OC(C)(C)C ZINC000047219003 357154323 /nfs/dbraw/zinc/15/43/23/357154323.db2.gz FLYMYUNKKYSENY-UHFFFAOYSA-N 1 1 258.406 1.896 40 0 CDABMO CC(=O)N1CC2(C1)C[C@H](COCc1ccncc1)C[N@@H+]2C ZINC000585093864 358098529 /nfs/dbraw/zinc/09/85/29/358098529.db2.gz LLHWWQFVDDBVNZ-HNNXBMFYSA-N 1 1 289.379 1.151 40 0 CDABMO CC(C)([NH2+]CCN1CCCC1=O)c1nccs1 ZINC000072662583 358543389 /nfs/dbraw/zinc/54/33/89/358543389.db2.gz OSYWUKNJLBYMOQ-UHFFFAOYSA-N 1 1 253.371 1.590 40 0 CDABMO CN(C)[C@@H]1CC[N@H+](C2CCOCC2)[C@H]1Cc1cccnc1 ZINC000096200857 358718191 /nfs/dbraw/zinc/71/81/91/358718191.db2.gz USBJSKJAQDVYPX-SJORKVTESA-N 1 1 289.423 1.808 40 0 CDABMO C[NH+](C)[C@@H]1CCN(C2CCOCC2)[C@H]1Cc1cccnc1 ZINC000096200857 358718196 /nfs/dbraw/zinc/71/81/96/358718196.db2.gz USBJSKJAQDVYPX-SJORKVTESA-N 1 1 289.423 1.808 40 0 CDABMO COC[C@H]1CCC2(CCN(C(=O)N3CCCC3)CC2)[N@H+]1C ZINC000096209081 358720291 /nfs/dbraw/zinc/72/02/91/358720291.db2.gz JDLUKMWDWWOWPB-CQSZACIVSA-N 1 1 295.427 1.777 40 0 CDABMO CC[N@H+]1C[C@H](COC)[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000096216497 358721327 /nfs/dbraw/zinc/72/13/27/358721327.db2.gz VSPVUHDRYIXNMY-NVXWUHKLSA-N 1 1 292.423 1.769 40 0 CDABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1ccco1)CC[C@H]2OC ZINC000096209322 358721492 /nfs/dbraw/zinc/72/14/92/358721492.db2.gz YGXOIRMOJABJFT-ARFHVFGLSA-N 1 1 294.395 1.447 40 0 CDABMO CCN1CC[C@@]2(CCC[N@@H+](C[C@@H]3CCOC3)C2)C1=O ZINC000096223835 358722762 /nfs/dbraw/zinc/72/27/62/358722762.db2.gz MXXXYCCCNQEWCF-DZGCQCFKSA-N 1 1 266.385 1.357 40 0 CDABMO CCc1ccc(C[N@@H+]2C[C@H]3OCC(=O)N(CC)[C@@H]3C2)o1 ZINC000096246278 358725903 /nfs/dbraw/zinc/72/59/03/358725903.db2.gz HSOOUEJDPAQYKP-ZIAGYGMSSA-N 1 1 278.352 1.274 40 0 CDABMO CCc1ccc(C[N@H+]2C[C@H]3OCC(=O)N(CC)[C@@H]3C2)o1 ZINC000096246278 358725907 /nfs/dbraw/zinc/72/59/07/358725907.db2.gz HSOOUEJDPAQYKP-ZIAGYGMSSA-N 1 1 278.352 1.274 40 0 CDABMO CC(C)Nc1ncnc2c1CC[N@H+](C1CCOCC1)CC2 ZINC000096255543 358728727 /nfs/dbraw/zinc/72/87/27/358728727.db2.gz DQPGLFATHRFXAF-UHFFFAOYSA-N 1 1 290.411 1.877 40 0 CDABMO C[N@@H+]1CCO[C@]2(CCCN(C(=O)c3ccncc3)C2)C1 ZINC000096268610 358730925 /nfs/dbraw/zinc/73/09/25/358730925.db2.gz CAXMJXAGQJDXQK-OAHLLOKOSA-N 1 1 275.352 1.018 40 0 CDABMO C[N@H+]1CCO[C@]2(CCCN(C(=O)c3ccncc3)C2)C1 ZINC000096268610 358730928 /nfs/dbraw/zinc/73/09/28/358730928.db2.gz CAXMJXAGQJDXQK-OAHLLOKOSA-N 1 1 275.352 1.018 40 0 CDABMO CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1F ZINC000049238670 363740376 /nfs/dbraw/zinc/74/03/76/363740376.db2.gz ZDVRYWWIOKPNEJ-LBPRGKRZSA-N 1 1 266.316 1.415 40 0 CDABMO CNC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1F ZINC000049238670 363740380 /nfs/dbraw/zinc/74/03/80/363740380.db2.gz ZDVRYWWIOKPNEJ-LBPRGKRZSA-N 1 1 266.316 1.415 40 0 CDABMO C[NH+]1CCN(C(=S)NCCCc2ccccc2)CC1 ZINC000244317857 367787504 /nfs/dbraw/zinc/78/75/04/367787504.db2.gz XGPDRSBUVFNWFL-UHFFFAOYSA-N 1 1 277.437 1.741 40 0 CDABMO CCOC[C@]1([NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218567397 373024517 /nfs/dbraw/zinc/02/45/17/373024517.db2.gz MZRPQOXAXMZYCU-AGIUHOORSA-N 1 1 287.356 1.070 40 0 CDABMO O=C(c1ccc2c(c1)OCO2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932880 375162587 /nfs/dbraw/zinc/16/25/87/375162587.db2.gz IFOPIPXPEHXBCY-LBPRGKRZSA-N 1 1 274.320 1.336 40 0 CDABMO Cn1cncc1-c1cncc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000257220164 190014441 /nfs/dbraw/zinc/01/44/41/190014441.db2.gz DJUXJYYIGJLKQC-LBPRGKRZSA-N 1 1 287.367 1.049 40 0 CDABMO Cc1nc2ccccn2c1CC(=O)N1CCC[N@H+](C)CC1 ZINC000257236368 190018155 /nfs/dbraw/zinc/01/81/55/190018155.db2.gz HBVISASTDWMVDS-UHFFFAOYSA-N 1 1 286.379 1.349 40 0 CDABMO Cc1c[nH]c([C@@H]2CC[N@@H+](CC3(O)CCOCC3)C2)n1 ZINC000257276972 190025704 /nfs/dbraw/zinc/02/57/04/190025704.db2.gz NVXSEFOUSOWRAO-GFCCVEGCSA-N 1 1 265.357 1.049 40 0 CDABMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000257290740 190027413 /nfs/dbraw/zinc/02/74/13/190027413.db2.gz QECUECQJCNGOEF-UMVBOHGHSA-N 1 1 276.355 1.812 40 0 CDABMO CN(C)C(=O)[C@@]1(C)CCC[N@@H+](Cc2nccn2C)C1 ZINC000257293123 190028581 /nfs/dbraw/zinc/02/85/81/190028581.db2.gz QOFBDSUWSYHNTG-AWEZNQCLSA-N 1 1 264.373 1.110 40 0 CDABMO CC[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216273 390621111 /nfs/dbraw/zinc/62/11/11/390621111.db2.gz GYWQMIDYYSJOCB-CQSZACIVSA-N 1 1 260.385 1.648 40 0 CDABMO Cc1cc(N2CCOCC2)[nH+]cc1[C@H]1CCCN1C=O ZINC000072219388 390623331 /nfs/dbraw/zinc/62/33/31/390623331.db2.gz RQZFZENEWKMTPS-CQSZACIVSA-N 1 1 275.352 1.520 40 0 CDABMO CN(C)C(=O)[C@H]1CN(C)CC[N@H+](C2CCCCC2)C1 ZINC000257340453 391649670 /nfs/dbraw/zinc/64/96/70/391649670.db2.gz ZGFKFMJTAAPYTP-ZDUSSCGKSA-N 1 1 267.417 1.271 40 0 CDABMO Cn1cc[nH+]c1N1CCN(c2cncc(Cl)n2)CC1 ZINC000080693111 135002710 /nfs/dbraw/zinc/00/27/10/135002710.db2.gz APCFZMMCGRUOHT-UHFFFAOYSA-N 1 1 278.747 1.190 40 0 CDABMO COCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832978 174157239 /nfs/dbraw/zinc/15/72/39/174157239.db2.gz QFPYHQWMPGULOQ-OAHLLOKOSA-N 1 1 276.380 1.661 40 0 CDABMO CCn1nc(C)c(CCC(=O)N2CC[NH+](C)CC2)c1C ZINC000072240489 176348480 /nfs/dbraw/zinc/34/84/80/176348480.db2.gz OUFIDSTXWSUTHZ-UHFFFAOYSA-N 1 1 278.400 1.226 40 0 CDABMO C[N@@H+]1CCO[C@@](C)(C(=O)Nc2ccc(F)cc2)C1 ZINC000072379310 176386727 /nfs/dbraw/zinc/38/67/27/176386727.db2.gz UPVDPBFIPUOZOK-CYBMUJFWSA-N 1 1 252.289 1.485 40 0 CDABMO C[N@H+]1CCO[C@@](C)(C(=O)Nc2ccc(F)cc2)C1 ZINC000072379310 176386728 /nfs/dbraw/zinc/38/67/28/176386728.db2.gz UPVDPBFIPUOZOK-CYBMUJFWSA-N 1 1 252.289 1.485 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2ncccc2c1 ZINC000072397657 176395025 /nfs/dbraw/zinc/39/50/25/176395025.db2.gz UMAJYNWLGRKJFT-XOKHGSTOSA-N 1 1 297.402 1.874 40 0 CDABMO OC[C@@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000072397801 176395565 /nfs/dbraw/zinc/39/55/65/176395565.db2.gz NVYCAEJWPWCUKR-CYBMUJFWSA-N 1 1 257.337 1.834 40 0 CDABMO COC(=O)[C@H]1C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072398070 277387294 /nfs/dbraw/zinc/38/72/94/277387294.db2.gz XNWMGKAGYXRTAI-VNHYZAJKSA-N 1 1 273.332 1.782 40 0 CDABMO C[C@H](CN1C[C@H]2C[C@@H](O)C[N@H+]2C[C@H]1C)c1ccccc1 ZINC000072397652 279324140 /nfs/dbraw/zinc/32/41/40/279324140.db2.gz XNDXTISCGFIKDH-MUIFIZLQSA-N 1 1 274.408 1.929 40 0 CDABMO C[C@H](C[N@@H+]1C[C@H]2C[C@@H](O)CN2C[C@H]1C)c1ccccc1 ZINC000072397652 279324142 /nfs/dbraw/zinc/32/41/42/279324142.db2.gz XNDXTISCGFIKDH-MUIFIZLQSA-N 1 1 274.408 1.929 40 0 CDABMO C[C@H](C[N@H+]1C[C@H]2C[C@@H](O)CN2C[C@H]1C)c1ccccc1 ZINC000072397652 279324143 /nfs/dbraw/zinc/32/41/43/279324143.db2.gz XNDXTISCGFIKDH-MUIFIZLQSA-N 1 1 274.408 1.929 40 0 CDABMO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](CC1CC1)C2 ZINC000096111911 290320523 /nfs/dbraw/zinc/32/05/23/290320523.db2.gz GVUWUMXLIDOZTJ-JSGCOSHPSA-N 1 1 272.348 1.895 40 0 biogenic,in-vitro CDABMO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCc2ncncc2C1 ZINC000897517938 620894860 /nfs/dbraw/zinc/89/48/60/620894860.db2.gz AIXUUNBBBJHSQN-LBPRGKRZSA-N 1 1 289.383 1.029 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@@H]2O1 ZINC000096043217 185070172 /nfs/dbraw/zinc/07/01/72/185070172.db2.gz NLRYDXLGWLJUDK-YUTCNCBUSA-N 1 1 293.367 1.017 40 0 CDABMO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@@H]2O1 ZINC000096043217 185070173 /nfs/dbraw/zinc/07/01/73/185070173.db2.gz NLRYDXLGWLJUDK-YUTCNCBUSA-N 1 1 293.367 1.017 40 0 CDABMO Cc1ccc(C[N@@H+]2C[C@H]3OCC(=O)N(CC4CC4)[C@@H]3C2)o1 ZINC000096054256 185076786 /nfs/dbraw/zinc/07/67/86/185076786.db2.gz USGAJNDERUOABI-HUUCEWRRSA-N 1 1 290.363 1.410 40 0 CDABMO Cc1ccc(C[N@H+]2C[C@H]3OCC(=O)N(CC4CC4)[C@@H]3C2)o1 ZINC000096054256 185076787 /nfs/dbraw/zinc/07/67/87/185076787.db2.gz USGAJNDERUOABI-HUUCEWRRSA-N 1 1 290.363 1.410 40 0 CDABMO CC[N@H+]1CC[C@@]12CCN(Cc1cccnc1OC)C2 ZINC000096075919 185089659 /nfs/dbraw/zinc/08/96/59/185089659.db2.gz JEKKBKOATBSJAI-OAHLLOKOSA-N 1 1 261.369 1.760 40 0 CDABMO COCC[N@H+]1CC[C@]12CCN(C(=O)c1ccccc1F)C2 ZINC000096075960 185090099 /nfs/dbraw/zinc/09/00/99/185090099.db2.gz NYFSMQLCQCBHKU-INIZCTEOSA-N 1 1 292.354 1.763 40 0 CDABMO COCC[N@H+]1C[C@H]2CN(Cc3cccc(C)c3)C(=O)[C@H]2C1 ZINC000096080739 185090837 /nfs/dbraw/zinc/09/08/37/185090837.db2.gz BTLHFRRKKGLSPL-HOTGVXAUSA-N 1 1 288.391 1.532 40 0 CDABMO COCC[N@H+]1C[C@H]2CCN(C(=O)c3c(C)noc3C)[C@H]2C1 ZINC000585107667 342213000 /nfs/dbraw/zinc/21/30/00/342213000.db2.gz NOGZLSWUBBWLDB-OLZOCXBDSA-N 1 1 293.367 1.084 40 0 CDABMO CNC(=O)C[C@@H]1C[N@@H+](C2CCCC2)Cc2ccnn21 ZINC000585112409 342213570 /nfs/dbraw/zinc/21/35/70/342213570.db2.gz PNFVBTDIEIGYSC-CYBMUJFWSA-N 1 1 262.357 1.319 40 0 CDABMO CNC(=O)C[C@@H]1C[N@H+](C2CCCC2)Cc2ccnn21 ZINC000585112409 342213571 /nfs/dbraw/zinc/21/35/71/342213571.db2.gz PNFVBTDIEIGYSC-CYBMUJFWSA-N 1 1 262.357 1.319 40 0 CDABMO O=C1OCCN1CC[N@H+]1CCC[C@@H]1COc1ccccc1 ZINC000079100103 362626929 /nfs/dbraw/zinc/62/69/29/362626929.db2.gz BNDXLTWBMAKFLR-CQSZACIVSA-N 1 1 290.363 1.982 40 0 CDABMO CC(C)[N@H+]1CCCC[C@@H]1c1cc(CCO)n(C)n1 ZINC000205700947 348744028 /nfs/dbraw/zinc/74/40/28/348744028.db2.gz OZLZYDAVBIGXHD-CQSZACIVSA-N 1 1 251.374 1.890 40 0 CDABMO CN1CC[C@]2(CCC[N@@H+](Cc3ccncc3)CC2)C1=O ZINC000108527015 186220533 /nfs/dbraw/zinc/22/05/33/186220533.db2.gz YVVZNSXPLHKVFO-INIZCTEOSA-N 1 1 273.380 1.916 40 0 CDABMO CS(=O)(=O)NC1CC2(C1)CC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC000108528025 186221456 /nfs/dbraw/zinc/22/14/56/186221456.db2.gz DETIWEGAMRAYFS-WLYUNCDWSA-N 1 1 298.452 1.746 40 0 CDABMO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cncn1C)C2 ZINC000108535355 186221662 /nfs/dbraw/zinc/22/16/62/186221662.db2.gz CYBPQFWXZUCNMS-GOEBONIOSA-N 1 1 290.411 1.501 40 0 CDABMO C[C@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000195531486 363456609 /nfs/dbraw/zinc/45/66/09/363456609.db2.gz VMDZXINKFCTKOC-VGWMRTNUSA-N 1 1 282.428 1.333 40 0 CDABMO C[N@@H+](CCO)CCC[C@H]1COc2ccccc2O1 ZINC000001636924 355943187 /nfs/dbraw/zinc/94/31/87/355943187.db2.gz PARIMXMLMWNNGN-LBPRGKRZSA-N 1 1 251.326 1.531 40 0 CDABMO C[N@@H+](Cc1ccccc1)C1CC[NH+](CC(=O)[O-])CC1 ZINC000079416012 356995397 /nfs/dbraw/zinc/99/53/97/356995397.db2.gz IKFKQDMIGPADPG-UHFFFAOYSA-N 1 1 262.353 1.667 40 0 CDABMO CC(C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276364 357154968 /nfs/dbraw/zinc/15/49/68/357154968.db2.gz HARIPZKSCRIJRP-UHFFFAOYSA-N 1 1 276.380 1.791 40 0 CDABMO C[C@@H]1CCCC[N@H+]1Cc1ccnc(N2CCOCC2)n1 ZINC000072397370 357832081 /nfs/dbraw/zinc/83/20/81/357832081.db2.gz DOESPACIFNRHPZ-CYBMUJFWSA-N 1 1 276.384 1.688 40 0 CDABMO CCC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C)CC1 ZINC000019501858 358097256 /nfs/dbraw/zinc/09/72/56/358097256.db2.gz ACFQCROEWBEWSA-CQSZACIVSA-N 1 1 292.431 1.877 40 0 CDABMO CC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000082333915 358160244 /nfs/dbraw/zinc/16/02/44/358160244.db2.gz YMSRKWAFXMPVTB-LBPRGKRZSA-N 1 1 275.352 1.925 40 0 CDABMO CN(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1)C2 ZINC000095951514 358704612 /nfs/dbraw/zinc/70/46/12/358704612.db2.gz FNEAXZJHYMIWAR-UHFFFAOYSA-N 1 1 284.363 1.394 40 0 CDABMO CN(C)c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1)C2 ZINC000095951514 358704615 /nfs/dbraw/zinc/70/46/15/358704615.db2.gz FNEAXZJHYMIWAR-UHFFFAOYSA-N 1 1 284.363 1.394 40 0 CDABMO CN(C)[C@@H]1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000062963769 358761681 /nfs/dbraw/zinc/76/16/81/358761681.db2.gz MXLASISLCBSLFY-GFCCVEGCSA-N 1 1 294.374 1.372 40 0 CDABMO CN(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000062963769 358761685 /nfs/dbraw/zinc/76/16/85/358761685.db2.gz MXLASISLCBSLFY-GFCCVEGCSA-N 1 1 294.374 1.372 40 0 CDABMO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)s1 ZINC000096184882 358713513 /nfs/dbraw/zinc/71/35/13/358713513.db2.gz JIDMZKFHKFRXEB-OLZOCXBDSA-N 1 1 287.392 1.786 40 0 CDABMO O=C1N(CC2CC2)CC12CC[NH+](Cc1nccs1)CC2 ZINC000096202865 358719200 /nfs/dbraw/zinc/71/92/00/358719200.db2.gz IIHUMGAMWIQUMX-UHFFFAOYSA-N 1 1 291.420 1.978 40 0 CDABMO CCOC[C@H]1CCC2(CCN(c3ncccn3)CC2)[N@H+]1C ZINC000096207113 358720331 /nfs/dbraw/zinc/72/03/31/358720331.db2.gz KWAOHHPLXZJIOQ-CQSZACIVSA-N 1 1 290.411 1.946 40 0 CDABMO O=C1[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2CN1Cc1ccncc1 ZINC000096245140 358724627 /nfs/dbraw/zinc/72/46/27/358724627.db2.gz QZXHBZVVGYOPGN-HOCLYGCPSA-N 1 1 297.358 1.765 40 0 CDABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](CCO)C3)CC2=O)s1 ZINC000096239443 358724704 /nfs/dbraw/zinc/72/47/04/358724704.db2.gz HWKPXGCVETZKSN-AWEZNQCLSA-N 1 1 280.393 1.478 40 0 CDABMO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]1O2 ZINC000096252858 358727354 /nfs/dbraw/zinc/72/73/54/358727354.db2.gz BVUMZALKBIVHBZ-OWCLPIDISA-N 1 1 288.391 1.801 40 0 CDABMO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]1O2 ZINC000096252858 358727357 /nfs/dbraw/zinc/72/73/57/358727357.db2.gz BVUMZALKBIVHBZ-OWCLPIDISA-N 1 1 288.391 1.801 40 0 CDABMO COc1ncnc2c1CC[N@@H+](Cc1ccco1)CC2 ZINC000096255554 358728285 /nfs/dbraw/zinc/72/82/85/358728285.db2.gz BTVRWUHERGUYLL-UHFFFAOYSA-N 1 1 259.309 1.679 40 0 CDABMO COCC[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255260 358728861 /nfs/dbraw/zinc/72/88/61/358728861.db2.gz OPZBNHGOPMKMCI-UHFFFAOYSA-N 1 1 284.363 1.586 40 0 CDABMO CCN1CC[C@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@H](C)C1 ZINC000131012502 374419512 /nfs/dbraw/zinc/41/95/12/374419512.db2.gz PHRYXUSUVCPLHH-KGLIPLIRSA-N 1 1 298.427 1.276 40 0 CDABMO COC(=O)[C@H](C)C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000012650079 374560087 /nfs/dbraw/zinc/56/00/87/374560087.db2.gz BDEAVZQFIXHXIP-LLVKDONJSA-N 1 1 286.372 1.348 40 0 CDABMO O=C(c1ccccc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000225626796 375174092 /nfs/dbraw/zinc/17/40/92/375174092.db2.gz ODLAEIAPODOAPQ-OAHLLOKOSA-N 1 1 274.364 1.358 40 0 CDABMO CC(C)n1nccc1C[NH2+]Cc1ccnn1CCF ZINC000256049553 190002562 /nfs/dbraw/zinc/00/25/62/190002562.db2.gz AKIOHIKLUZKIGX-UHFFFAOYSA-N 1 1 265.336 1.920 40 0 CDABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000257200761 190010955 /nfs/dbraw/zinc/01/09/55/190010955.db2.gz AEUIGAITODSFCO-LBPRGKRZSA-N 1 1 287.367 1.347 40 0 CDABMO C[N@@H+]1CCO[C@@](Cc2ccccc2)(C(=O)NC2CCC2)C1 ZINC000257207845 190011947 /nfs/dbraw/zinc/01/19/47/190011947.db2.gz BJPAERIWBDKUEG-QGZVFWFLSA-N 1 1 288.391 1.599 40 0 CDABMO C[N@H+]1CCO[C@@](Cc2ccccc2)(C(=O)NC2CCC2)C1 ZINC000257207845 190011948 /nfs/dbraw/zinc/01/19/48/190011948.db2.gz BJPAERIWBDKUEG-QGZVFWFLSA-N 1 1 288.391 1.599 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cn1 ZINC000257208123 190012638 /nfs/dbraw/zinc/01/26/38/190012638.db2.gz BKWFMYLDFZSEAT-ZDUSSCGKSA-N 1 1 257.341 1.590 40 0 CDABMO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)CC[C@@H]1O ZINC000257234698 190016654 /nfs/dbraw/zinc/01/66/54/190016654.db2.gz GUSRTHSBOLLXQM-GJZGRUSLSA-N 1 1 291.395 1.179 40 0 CDABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)c2cnco2)[C@H]1O ZINC000257223642 190014689 /nfs/dbraw/zinc/01/46/89/190014689.db2.gz DYGVFRLIUGGCOO-NQBHXWOUSA-N 1 1 290.323 1.064 40 0 CDABMO Cc1nccc(C[C@@H]2COCC[N@H+](C3CCOCC3)C2)n1 ZINC000257300818 190029004 /nfs/dbraw/zinc/02/90/04/190029004.db2.gz RVUZGPKBAMWBQG-AWEZNQCLSA-N 1 1 291.395 1.455 40 0 CDABMO NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(-n2ccnc2)nc1 ZINC000257300754 190029690 /nfs/dbraw/zinc/02/96/90/190029690.db2.gz RVOTYZZEVZHBBA-ZDUSSCGKSA-N 1 1 285.351 1.280 40 0 CDABMO NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(-n2ccnc2)nc1 ZINC000257300754 190029691 /nfs/dbraw/zinc/02/96/91/190029691.db2.gz RVOTYZZEVZHBBA-ZDUSSCGKSA-N 1 1 285.351 1.280 40 0 CDABMO CN(C)Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257302125 190030039 /nfs/dbraw/zinc/03/00/39/190030039.db2.gz SBQFOSIZFBIEFK-ZDUSSCGKSA-N 1 1 288.399 1.194 40 0 CDABMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000063527692 378303402 /nfs/dbraw/zinc/30/34/02/378303402.db2.gz XHSZJIQPYHWANT-HNNXBMFYSA-N 1 1 259.353 1.640 40 0 CDABMO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@@H+](CC3CC3)C[C@H]1O2 ZINC000096253131 256835956 /nfs/dbraw/zinc/83/59/56/256835956.db2.gz LOXQBHSDAQDEGD-HZSPNIEDSA-N 1 1 264.369 1.154 40 0 CDABMO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000020193630 171059600 /nfs/dbraw/zinc/05/96/00/171059600.db2.gz LNNBPSPFKROEMT-UHFFFAOYSA-N 1 1 267.760 1.700 40 0 CDABMO COc1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000023379331 171420270 /nfs/dbraw/zinc/42/02/70/171420270.db2.gz XJECZEFMFXXVQV-UHFFFAOYSA-N 1 1 262.353 1.402 40 0 CDABMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](O)C1 ZINC000039519491 174169627 /nfs/dbraw/zinc/16/96/27/174169627.db2.gz OTFKJOKCYFMJEP-KOLCDFICSA-N 1 1 283.759 1.519 40 0 CDABMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](O)C1 ZINC000039519491 174169628 /nfs/dbraw/zinc/16/96/28/174169628.db2.gz OTFKJOKCYFMJEP-KOLCDFICSA-N 1 1 283.759 1.519 40 0 CDABMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1C ZINC000071814560 176269098 /nfs/dbraw/zinc/26/90/98/176269098.db2.gz KQSBLBKYFDMSPY-LBPRGKRZSA-N 1 1 264.373 1.932 40 0 CDABMO CN(C)Cc1cc(N(C)C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072352025 176374378 /nfs/dbraw/zinc/37/43/78/176374378.db2.gz OALCXHBFWSMOFH-GFCCVEGCSA-N 1 1 277.416 1.413 40 0 CDABMO CN(C)Cc1cc(N(C)C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072352025 176374379 /nfs/dbraw/zinc/37/43/79/176374379.db2.gz OALCXHBFWSMOFH-GFCCVEGCSA-N 1 1 277.416 1.413 40 0 CDABMO Cc1nccc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072355932 176375666 /nfs/dbraw/zinc/37/56/66/176375666.db2.gz CLTRFPPICHZAQN-AWEZNQCLSA-N 1 1 271.368 1.898 40 0 CDABMO C[N@@H+]1CCO[C@](C)(C(=O)N2CCC3(C2)CCCCC3)C1 ZINC000072378284 277132421 /nfs/dbraw/zinc/13/24/21/277132421.db2.gz DTPBAPXFZIQCPH-HNNXBMFYSA-N 1 1 280.412 1.890 40 0 CDABMO C[N@H+]1CCO[C@](C)(C(=O)N2CCC3(C2)CCCCC3)C1 ZINC000072378284 277132422 /nfs/dbraw/zinc/13/24/22/277132422.db2.gz DTPBAPXFZIQCPH-HNNXBMFYSA-N 1 1 280.412 1.890 40 0 CDABMO CO[C@H]1C[N@@H+](CC(=O)N2CCCCC2)CC[C@@]12CCCO2 ZINC000257297951 277343796 /nfs/dbraw/zinc/34/37/96/277343796.db2.gz RJMBFLHPFGAMLC-HOCLYGCPSA-N 1 1 296.411 1.269 40 0 CDABMO c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)nc1 ZINC000096055851 185076139 /nfs/dbraw/zinc/07/61/39/185076139.db2.gz NXYQUPCGKFIZPQ-CABCVRRESA-N 1 1 281.363 1.725 40 0 CDABMO O=C(c1cnccn1)N1C[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]2C1 ZINC000096053964 185076706 /nfs/dbraw/zinc/07/67/06/185076706.db2.gz YLPPIAMNECFIMI-OKILXGFUSA-N 1 1 298.346 1.274 40 0 CDABMO CNC(=O)C1=NO[C@@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000096074489 185087944 /nfs/dbraw/zinc/08/79/44/185087944.db2.gz NHVISRZKXPIPKP-INIZCTEOSA-N 1 1 287.363 1.196 40 0 CDABMO COCC[N@H+]1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096100065 185097940 /nfs/dbraw/zinc/09/79/40/185097940.db2.gz RFQQXADLJWBJBE-OAGGEKHMSA-N 1 1 292.379 1.476 40 0 CDABMO CC[NH+]1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000000796957 361915138 /nfs/dbraw/zinc/91/51/38/361915138.db2.gz URDAFNYCANFNKK-UHFFFAOYSA-N 1 1 254.280 1.743 40 0 CDABMO CONC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000157421521 342204382 /nfs/dbraw/zinc/20/43/82/342204382.db2.gz UURWMCKUXPWKNP-HNNXBMFYSA-N 1 1 277.368 1.902 40 0 CDABMO CC(C)N1C[C@@]2(CCC[N@@H+](C[C@H]3CCCO3)C2)C1=O ZINC000585099568 342212232 /nfs/dbraw/zinc/21/22/32/342212232.db2.gz QMPQJYRSQSHVIS-HIFRSBDPSA-N 1 1 266.385 1.498 40 0 CDABMO O[C@H]1C[N@H+](Cc2c[nH]cn2)CC[C@@H]1Cc1ccccc1F ZINC000585277060 342256447 /nfs/dbraw/zinc/25/64/47/342256447.db2.gz FRSFVKODLMSIHC-CJNGLKHVSA-N 1 1 289.354 1.974 40 0 CDABMO O[C@H]1C[N@@H+](Cc2c[nH]cn2)CC[C@@H]1Cc1ccccc1F ZINC000585277060 342256448 /nfs/dbraw/zinc/25/64/48/342256448.db2.gz FRSFVKODLMSIHC-CJNGLKHVSA-N 1 1 289.354 1.974 40 0 CDABMO O=C(CN1CCC[C@H](c2[nH]cc[nH+]2)C1)NCC(F)(F)F ZINC000080959371 362204058 /nfs/dbraw/zinc/20/40/58/362204058.db2.gz KMMZHCKCZGYCBH-VIFPVBQESA-N 1 1 290.289 1.268 40 0 CDABMO C[N@@H+]1C[C@@H]2COCCN2C2(CN(C3CCCCC3)C2)C1 ZINC000604381954 344886414 /nfs/dbraw/zinc/88/64/14/344886414.db2.gz WNURLHIYAKMOGP-OAHLLOKOSA-N 1 1 279.428 1.020 40 0 biogenic,in-vitro CDABMO C[N@H+]1C[C@@H]2COCCN2C2(CN(C3CCCCC3)C2)C1 ZINC000604381954 344886417 /nfs/dbraw/zinc/88/64/17/344886417.db2.gz WNURLHIYAKMOGP-OAHLLOKOSA-N 1 1 279.428 1.020 40 0 biogenic,in-vitro CDABMO CC(C)[N@H+]1CCCC[C@H]1c1cc(CCO)n(C)n1 ZINC000205700968 348744049 /nfs/dbraw/zinc/74/40/49/348744049.db2.gz OZLZYDAVBIGXHD-AWEZNQCLSA-N 1 1 251.374 1.890 40 0 CDABMO COCC[N@H+]1CC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000107225738 186163236 /nfs/dbraw/zinc/16/32/36/186163236.db2.gz BARYWAMDNKJXDT-HZPDHXFCSA-N 1 1 277.364 1.945 40 0 CDABMO O=C(C[C@H]1[C@H]2C[N@H+](Cc3ccco3)C[C@@H]12)N1CCCC1 ZINC000107745881 186188772 /nfs/dbraw/zinc/18/87/72/186188772.db2.gz AQFKNUCCGZBRDD-QDMKHBRRSA-N 1 1 274.364 1.970 40 0 CDABMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)N1CCCCC1 ZINC000019496378 356487410 /nfs/dbraw/zinc/48/74/10/356487410.db2.gz GMLPYRJUEHSNAR-ZDUSSCGKSA-N 1 1 289.445 1.181 40 0 CDABMO CCc1nnc2sc(C3=CC[N@@H+](CC)CC3)nn12 ZINC000073636223 356938026 /nfs/dbraw/zinc/93/80/26/356938026.db2.gz FDFISXCZGCUQFJ-UHFFFAOYSA-N 1 1 263.370 1.857 40 0 CDABMO CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404167 356990145 /nfs/dbraw/zinc/99/01/45/356990145.db2.gz WMPRNLZOPOUTET-HNNXBMFYSA-N 1 1 275.396 1.316 40 0 CDABMO CCC[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O ZINC000095093752 283354556 /nfs/dbraw/zinc/35/45/56/283354556.db2.gz JKSSJLRXPMSJDM-TXEJJXNPSA-N 1 1 282.384 1.764 40 0 CDABMO CCC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O ZINC000095093752 283354561 /nfs/dbraw/zinc/35/45/61/283354561.db2.gz JKSSJLRXPMSJDM-TXEJJXNPSA-N 1 1 282.384 1.764 40 0 CDABMO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccoc2)cn1 ZINC000096184594 358714386 /nfs/dbraw/zinc/71/43/86/358714386.db2.gz UMODZDXOLCJWHV-CVEARBPZSA-N 1 1 286.379 1.862 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccoc2)cn1 ZINC000096184594 358714389 /nfs/dbraw/zinc/71/43/89/358714389.db2.gz UMODZDXOLCJWHV-CVEARBPZSA-N 1 1 286.379 1.862 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccoc2)cn1 ZINC000096184594 358714390 /nfs/dbraw/zinc/71/43/90/358714390.db2.gz UMODZDXOLCJWHV-CVEARBPZSA-N 1 1 286.379 1.862 40 0 CDABMO COCC[N@H+]1CCC2(CN(Cc3cccs3)C2)C1 ZINC000096202477 358719447 /nfs/dbraw/zinc/71/94/47/358719447.db2.gz GLKAGTXHLPSVCJ-UHFFFAOYSA-N 1 1 266.410 1.902 40 0 CDABMO Cc1nnc(N2C[C@@H]3C[N@@H+](CC4CC4)CCO[C@@H]3C2)s1 ZINC000096219410 358722091 /nfs/dbraw/zinc/72/20/91/358722091.db2.gz RQAUOSLZCPFDGK-QWHCGFSZSA-N 1 1 294.424 1.394 40 0 CDABMO O=C(NC1CCC1)[C@@H]1C[C@H]2OCC[N@@H+](CC3CC3)[C@@H]2C1 ZINC000096251685 358726821 /nfs/dbraw/zinc/72/68/21/358726821.db2.gz DKAXMWMHSNZWKK-NWANDNLSSA-N 1 1 278.396 1.545 40 0 CDABMO CC(C)N1CCO[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000096248683 358726889 /nfs/dbraw/zinc/72/68/89/358726889.db2.gz FGYOEZHTHCXGRR-CABCVRRESA-N 1 1 261.369 1.375 40 0 CDABMO CC(C)N1CCO[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000096248683 358726890 /nfs/dbraw/zinc/72/68/90/358726890.db2.gz FGYOEZHTHCXGRR-CABCVRRESA-N 1 1 261.369 1.375 40 0 CDABMO C[N@@H+]1CCO[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 ZINC000096268611 358730973 /nfs/dbraw/zinc/73/09/73/358730973.db2.gz CAXMJXAGQJDXQK-HNNXBMFYSA-N 1 1 275.352 1.018 40 0 CDABMO C[N@H+]1CCO[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 ZINC000096268611 358730978 /nfs/dbraw/zinc/73/09/78/358730978.db2.gz CAXMJXAGQJDXQK-HNNXBMFYSA-N 1 1 275.352 1.018 40 0 CDABMO C[NH+]1CCN(C[C@@H](O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1 ZINC000041689820 372949242 /nfs/dbraw/zinc/94/92/42/372949242.db2.gz PIGQYKSQFRACBT-QSJFSLAZSA-N 1 1 296.455 1.784 40 0 CDABMO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000257201478 190010789 /nfs/dbraw/zinc/01/07/89/190010789.db2.gz AHVRZNSFWZVUOF-ZDUSSCGKSA-N 1 1 259.357 1.831 40 0 CDABMO Cc1nccc([C@@H]2C[N@H+](CC3CCOCC3)CCO2)n1 ZINC000257216614 190013972 /nfs/dbraw/zinc/01/39/72/190013972.db2.gz CVJIEYJNWWSDKA-HNNXBMFYSA-N 1 1 277.368 1.585 40 0 CDABMO Cc1nccc([C@@H]2C[N@@H+](CC3CCOCC3)CCO2)n1 ZINC000257216614 190013973 /nfs/dbraw/zinc/01/39/73/190013973.db2.gz CVJIEYJNWWSDKA-HNNXBMFYSA-N 1 1 277.368 1.585 40 0 CDABMO Cc1ncc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000257235430 190016827 /nfs/dbraw/zinc/01/68/27/190016827.db2.gz GXUWHDXJSCVXTK-ZDUSSCGKSA-N 1 1 257.341 1.888 40 0 CDABMO Cc1cc(C[C@@H]2COCC[N@@H+](Cc3ccccn3)C2)ncn1 ZINC000257217830 190014130 /nfs/dbraw/zinc/01/41/30/190014130.db2.gz DAUNPNUBLPNAQS-HNNXBMFYSA-N 1 1 298.390 1.871 40 0 CDABMO CO[C@@H]1CC[C@H]2N(C(=O)Cn3cc[nH+]c3C)CC[C@@]2(C)C1 ZINC000257220802 190014666 /nfs/dbraw/zinc/01/46/66/190014666.db2.gz DMEQBMKZDWNFHL-FMKPAKJESA-N 1 1 291.395 1.998 40 0 CDABMO CN1CC[N@@H+](CC2(O)CCOCC2)C[C@H]1c1ccccc1 ZINC000257244507 190019459 /nfs/dbraw/zinc/01/94/59/190019459.db2.gz ILQSNAAXONZEOY-INIZCTEOSA-N 1 1 290.407 1.517 40 0 CDABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1ccnc1)C2 ZINC000257280405 190025850 /nfs/dbraw/zinc/02/58/50/190025850.db2.gz OKRQJCYNVPMWDP-AYDFFVQHSA-N 1 1 288.395 1.357 40 0 CDABMO CNc1nccnc1C[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000257281713 190026541 /nfs/dbraw/zinc/02/65/41/190026541.db2.gz OQPXWUIKEXJUHA-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1nccnc1C[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000257281713 190026542 /nfs/dbraw/zinc/02/65/42/190026542.db2.gz OQPXWUIKEXJUHA-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO CCCS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CC ZINC000008300458 376533661 /nfs/dbraw/zinc/53/36/61/376533661.db2.gz YSICNLVCVYQWDZ-RWMBFGLXSA-N 1 1 274.430 1.436 40 0 biogenic,in-vitro CDABMO OC[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2C[C@@H](O)C1 ZINC000005664247 285280391 /nfs/dbraw/zinc/28/03/91/285280391.db2.gz PWWVJGCOINBXJP-MQIPJXDCSA-N 1 1 286.375 1.830 40 0 CDABMO OC[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2C[C@@H](O)C1 ZINC000005664247 285280396 /nfs/dbraw/zinc/28/03/96/285280396.db2.gz PWWVJGCOINBXJP-MQIPJXDCSA-N 1 1 286.375 1.830 40 0 CDABMO COC[C@@]12CCCO[C@H]1CC[N@@H+](CC1CCOCC1)C2 ZINC000096056773 285326309 /nfs/dbraw/zinc/32/63/09/285326309.db2.gz VHQFVCVHLZKTKM-HOTGVXAUSA-N 1 1 283.412 1.931 40 0 CDABMO COC(=O)C1([NH3+])CCN(Cc2ccc(F)cc2)CC1 ZINC000008698587 260032976 /nfs/dbraw/zinc/03/29/76/260032976.db2.gz WWXJVQRBPQDQMW-UHFFFAOYSA-N 1 1 266.316 1.292 40 0 CDABMO COC(=O)C1(N)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000008698587 260032978 /nfs/dbraw/zinc/03/29/78/260032978.db2.gz WWXJVQRBPQDQMW-UHFFFAOYSA-N 1 1 266.316 1.292 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@]1([NH3+])COC ZINC000242687887 391944937 /nfs/dbraw/zinc/94/49/37/391944937.db2.gz UZERVGVYDLMGFA-MGPQQGTHSA-N 1 1 283.393 1.239 40 0 CDABMO CCOC(=O)[C@H]([NH3+])Cc1c[nH]c2cc(OC)ccc12 ZINC000026891758 171501917 /nfs/dbraw/zinc/50/19/17/171501917.db2.gz LLVNUEWNNYMQRS-GFCCVEGCSA-N 1 1 262.309 1.609 40 0 CDABMO CN(C)C(=O)[C@]1(C)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000072355267 176374616 /nfs/dbraw/zinc/37/46/16/176374616.db2.gz GOHZYACPGIPWCY-CQSZACIVSA-N 1 1 264.373 1.110 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@](O)(c3nccn3C)CC2)cn1 ZINC000072369582 176384166 /nfs/dbraw/zinc/38/41/66/176384166.db2.gz VYLINYIPDKVRLX-OAHLLOKOSA-N 1 1 289.383 1.027 40 0 CDABMO Cn1ccnc1C[N@@H+]1CCC[C@](O)(c2nccn2C)CC1 ZINC000072369583 176384226 /nfs/dbraw/zinc/38/42/26/176384226.db2.gz OTMPLSPXOKMQNV-OAHLLOKOSA-N 1 1 289.383 1.027 40 0 CDABMO Cn1ccnc1C[N@H+]1CCC[C@](O)(c2nccn2C)CC1 ZINC000072369583 176384228 /nfs/dbraw/zinc/38/42/28/176384228.db2.gz OTMPLSPXOKMQNV-OAHLLOKOSA-N 1 1 289.383 1.027 40 0 CDABMO COCCN1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000072397778 176395749 /nfs/dbraw/zinc/39/57/49/176395749.db2.gz GSUDAHVSQFCQIK-UHFFFAOYSA-N 1 1 285.391 1.999 40 0 CDABMO COC[C@@H](O)C[N@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000077658027 177291786 /nfs/dbraw/zinc/29/17/86/177291786.db2.gz LSBLPFMUWMSGAU-RDJZCZTQSA-N 1 1 292.423 1.590 40 0 CDABMO COC[C@@H](O)CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000077658027 177291787 /nfs/dbraw/zinc/29/17/87/177291787.db2.gz LSBLPFMUWMSGAU-RDJZCZTQSA-N 1 1 292.423 1.590 40 0 CDABMO COC[C@@H](O)CN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000077658027 177291788 /nfs/dbraw/zinc/29/17/88/177291788.db2.gz LSBLPFMUWMSGAU-RDJZCZTQSA-N 1 1 292.423 1.590 40 0 CDABMO COc1ccc(C[NH2+][C@H]2CCCNC2=O)c(Cl)c1OC ZINC000078603730 177359089 /nfs/dbraw/zinc/35/90/89/177359089.db2.gz IPVDJSXEWXCGQH-JTQLQIEISA-N 1 1 298.770 1.725 40 0 CDABMO COc1cccc([C@H]([NH3+])c2nc(-c3ccccn3)n[nH]2)c1 ZINC000095533538 185005744 /nfs/dbraw/zinc/00/57/44/185005744.db2.gz BTUFOKDUPZCLER-ZDUSSCGKSA-N 1 1 281.319 1.923 40 0 CDABMO c1cnc(N2CCC3(C[NH+](Cc4cccnc4)C3)C2)nc1 ZINC000096070846 185086962 /nfs/dbraw/zinc/08/69/62/185086962.db2.gz GCNPGASQVNGCPW-UHFFFAOYSA-N 1 1 281.363 1.584 40 0 CDABMO CCN1CC[C@@]2(CCC[N@@H+](Cc3ccncc3)C2)C1=O ZINC000096073929 185088882 /nfs/dbraw/zinc/08/88/82/185088882.db2.gz CYOSVHNPRGGWDB-MRXNPFEDSA-N 1 1 273.380 1.916 40 0 CDABMO Cc1nc(C)c2c(n1)CC[N@@H+](C1CCOCC1)CC2 ZINC000096083770 185092687 /nfs/dbraw/zinc/09/26/87/185092687.db2.gz QJLDQKCUPBOMFA-UHFFFAOYSA-N 1 1 261.369 1.673 40 0 CDABMO COCc1nnc2n1CC[N@H+](C1CCCC1)[C@@H]2C ZINC000585097869 342211544 /nfs/dbraw/zinc/21/15/44/342211544.db2.gz SJIQDWSIVBSPGW-SNVBAGLBSA-N 1 1 250.346 1.744 40 0 CDABMO COCc1nnc2n1CC[N@@H+](C1CCCC1)[C@@H]2C ZINC000585097869 342211545 /nfs/dbraw/zinc/21/15/45/342211545.db2.gz SJIQDWSIVBSPGW-SNVBAGLBSA-N 1 1 250.346 1.744 40 0 CDABMO OC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccs1 ZINC000247938363 362139658 /nfs/dbraw/zinc/13/96/58/362139658.db2.gz OSRJYVWDXFCJGS-DRZSPHRISA-N 1 1 253.367 1.720 40 0 CDABMO OC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccs1 ZINC000247938363 362139663 /nfs/dbraw/zinc/13/96/63/362139663.db2.gz OSRJYVWDXFCJGS-DRZSPHRISA-N 1 1 253.367 1.720 40 0 CDABMO CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC000257278546 282297862 /nfs/dbraw/zinc/29/78/62/282297862.db2.gz OCRCITCQFRSYEF-AWEZNQCLSA-N 1 1 290.411 1.420 40 0 CDABMO Cc1ccc(-c2cc(C(=O)NCCn3cc[nH+]c3C)[nH]n2)o1 ZINC000012146849 356288895 /nfs/dbraw/zinc/28/88/95/356288895.db2.gz WUPSOOQEWVOOML-UHFFFAOYSA-N 1 1 299.334 1.913 40 0 CDABMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)OCc1ccccc1 ZINC000079410899 356994008 /nfs/dbraw/zinc/99/40/08/356994008.db2.gz SVWFMOORXWPNBE-OAHLLOKOSA-N 1 1 292.379 1.760 40 0 CDABMO C[N@H+]1CCC[C@H](c2cccc(N3CCOCC3)n2)C1 ZINC000072386616 357832238 /nfs/dbraw/zinc/83/22/38/357832238.db2.gz UPSYWVAMGPCXFM-ZDUSSCGKSA-N 1 1 261.369 1.727 40 0 CDABMO C[N@H+]1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000082306848 358157938 /nfs/dbraw/zinc/15/79/38/358157938.db2.gz OYMGZDNJCSQZKY-LBPRGKRZSA-N 1 1 250.317 1.784 40 0 CDABMO O=C1CC[C@H](C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CCN1 ZINC000566176197 358287711 /nfs/dbraw/zinc/28/77/11/358287711.db2.gz ISIJRFCLCMGXNI-XQQFMLRXSA-N 1 1 252.358 1.014 40 0 CDABMO COCC[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC2CCCC2)C1 ZINC000096038780 358706562 /nfs/dbraw/zinc/70/65/62/358706562.db2.gz YADOVSCHVOOMNA-GDBMZVCRSA-N 1 1 296.411 1.173 40 0 CDABMO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161627 358710860 /nfs/dbraw/zinc/71/08/60/358710860.db2.gz XBCJMRRVTVSQLB-NYTXWWLZSA-N 1 1 285.391 1.628 40 0 CDABMO CS(=O)(=O)N1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC000096202758 358719121 /nfs/dbraw/zinc/71/91/21/358719121.db2.gz KSJAEAZDXNROKO-UHFFFAOYSA-N 1 1 286.422 1.215 40 0 CDABMO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccoc2)N1c1cncnc1 ZINC000096245928 358725563 /nfs/dbraw/zinc/72/55/63/358725563.db2.gz GKUJDYHWUXQGSA-KGLIPLIRSA-N 1 1 284.319 1.449 40 0 CDABMO CCO[C@@H]1C[C@H]2CN(Cc3ccc(C)o3)CC[N@H+]2C1 ZINC000096249530 358726657 /nfs/dbraw/zinc/72/66/57/358726657.db2.gz BPEAIMZOWKTPQS-DZGCQCFKSA-N 1 1 264.369 1.883 40 0 CDABMO Cc1noc(C)c1CN1CCO[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC000096248829 358726709 /nfs/dbraw/zinc/72/67/09/358726709.db2.gz QNBCKLREDJMJRO-CABCVRRESA-N 1 1 279.384 1.585 40 0 CDABMO CC[N@H+]1C[C@H]2CN(C(=O)Cc3cccc(F)c3)C[C@@H](C1)O2 ZINC000096252589 358727822 /nfs/dbraw/zinc/72/78/22/358727822.db2.gz GQDAGUNAGZVWFZ-GASCZTMLSA-N 1 1 292.354 1.300 40 0 CDABMO CC[N@@H+]1C[C@H]2CN(C(=O)Cc3cccc(F)c3)C[C@@H](C1)O2 ZINC000096252589 358727824 /nfs/dbraw/zinc/72/78/24/358727824.db2.gz GQDAGUNAGZVWFZ-GASCZTMLSA-N 1 1 292.354 1.300 40 0 CDABMO CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096268680 358730599 /nfs/dbraw/zinc/73/05/99/358730599.db2.gz NNCQWGNIOGCEQZ-INIZCTEOSA-N 1 1 273.380 1.916 40 0 CDABMO CCCNc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC000004510822 364811859 /nfs/dbraw/zinc/81/18/59/364811859.db2.gz YIROKZRQSUQEBK-UHFFFAOYSA-N 1 1 276.388 1.894 40 0 CDABMO C[N@H+]1C[C@H](C(N)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000027726883 374261635 /nfs/dbraw/zinc/26/16/35/374261635.db2.gz OEVHDXFBOKGRLN-MPKXVKKWSA-N 1 1 269.348 1.613 40 0 CDABMO C[NH+](C)CC(=O)Nc1ccc2c(c1)[C@@H](O)CC2(C)C ZINC000225498623 374555662 /nfs/dbraw/zinc/55/56/62/374555662.db2.gz KONYYTAQVXXQFC-ZDUSSCGKSA-N 1 1 262.353 1.901 40 0 CDABMO CCc1cnc(CNC(=O)N2CC[NH+](CC)CC2)s1 ZINC000080533568 374955945 /nfs/dbraw/zinc/95/59/45/374955945.db2.gz COBBOYQBDCKGOB-UHFFFAOYSA-N 1 1 282.413 1.553 40 0 CDABMO C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000132381133 375467567 /nfs/dbraw/zinc/46/75/67/375467567.db2.gz UZYGOQULALXDEG-ZFWWWQNUSA-N 1 1 296.436 1.489 40 0 CDABMO CCn1ncc(C[NH2+]Cc2cn(C)nc2C)c1F ZINC000256050321 190003371 /nfs/dbraw/zinc/00/33/71/190003371.db2.gz DPPUNDVKHURDOR-UHFFFAOYSA-N 1 1 251.309 1.374 40 0 CDABMO C[N@H+]1CCC[C@](CCCc2cccnc2)(C(N)=O)C1 ZINC000257210789 190012272 /nfs/dbraw/zinc/01/22/72/190012272.db2.gz BWEOEEYYSKJUHQ-HNNXBMFYSA-N 1 1 261.369 1.602 40 0 CDABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3cnccn3)C2)n1 ZINC000257232449 190017206 /nfs/dbraw/zinc/01/72/06/190017206.db2.gz GKWWUVLDOQAGHY-LBPRGKRZSA-N 1 1 255.325 1.565 40 0 CDABMO O[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H]1Oc1ccccc1 ZINC000257287173 190027266 /nfs/dbraw/zinc/02/72/66/190027266.db2.gz POUZPQWWVYKQKX-HZPDHXFCSA-N 1 1 270.332 1.706 40 0 CDABMO CCC(CC)[N@@H+]1CC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257310008 190032329 /nfs/dbraw/zinc/03/23/29/190032329.db2.gz UDIHQIRJEINCIT-SNVBAGLBSA-N 1 1 285.413 1.791 40 0 CDABMO CCC(CC)[N@H+]1CC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257310008 190032330 /nfs/dbraw/zinc/03/23/30/190032330.db2.gz UDIHQIRJEINCIT-SNVBAGLBSA-N 1 1 285.413 1.791 40 0 CDABMO Cc1nc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000257319263 190033407 /nfs/dbraw/zinc/03/34/07/190033407.db2.gz VROTVYGEGHTMQN-ZDUSSCGKSA-N 1 1 287.367 1.604 40 0 CDABMO Cc1c(C[N@H+]2CCC[C@H](c3ccncn3)C2)cnn1C ZINC000257336608 190036504 /nfs/dbraw/zinc/03/65/04/190036504.db2.gz YPEUMEWRLKIDQB-ZDUSSCGKSA-N 1 1 271.368 1.898 40 0 CDABMO COCC[N@H+](C)Cc1cncc([C@@H]2CCCN2C(C)=O)n1 ZINC000257334616 190036552 /nfs/dbraw/zinc/03/65/52/190036552.db2.gz YGRNKHLDQRSEIM-HNNXBMFYSA-N 1 1 292.383 1.238 40 0 CDABMO COCC[N@@H+](C)Cc1cncc([C@@H]2CCCN2C(C)=O)n1 ZINC000257334616 190036553 /nfs/dbraw/zinc/03/65/53/190036553.db2.gz YGRNKHLDQRSEIM-HNNXBMFYSA-N 1 1 292.383 1.238 40 0 CDABMO C[N@H+]1CCC[C@]2(CN(Cc3ccccn3)CCO2)C1 ZINC000063527610 378303757 /nfs/dbraw/zinc/30/37/57/378303757.db2.gz WEBPVNWBWXWIQU-OAHLLOKOSA-N 1 1 261.369 1.378 40 0 CDABMO CN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(Br)cc1 ZINC000072228262 390626567 /nfs/dbraw/zinc/62/65/67/390626567.db2.gz BNTXXYCWNCYPJH-DTWKUNHWSA-N 1 1 255.115 1.290 40 0 CDABMO CC(C)[N@H+]1CCC[C@H]1c1cnc(N2CCOC2=O)cn1 ZINC000257201630 391648071 /nfs/dbraw/zinc/64/80/71/391648071.db2.gz AIJJMDDWDAXBPX-LBPRGKRZSA-N 1 1 276.340 1.979 40 0 CDABMO CCOCC(=O)N1CCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257223761 286022358 /nfs/dbraw/zinc/02/23/58/286022358.db2.gz DYRYMZSEASKURQ-JSGCOSHPSA-N 1 1 254.374 1.498 40 0 CDABMO O=C1CCC(=O)N1OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005382568 170092495 /nfs/dbraw/zinc/09/24/95/170092495.db2.gz GUWLFGRHKJHZOJ-NEPJUHHUSA-N 1 1 266.341 1.332 40 0 CDABMO Cn1ncc(C(=O)N2CCC[N@@H+](CC3CC3)CC2)c1Cl ZINC000072254257 176350841 /nfs/dbraw/zinc/35/08/41/176350841.db2.gz IUFHQQKVHQKREA-UHFFFAOYSA-N 1 1 296.802 1.631 40 0 CDABMO C[N@@H+]1CCC[C@H]1c1cncc(C(=O)NCC2CC2)n1 ZINC000072369321 176384070 /nfs/dbraw/zinc/38/40/70/176384070.db2.gz LRKLBZRCKFGJTH-ZDUSSCGKSA-N 1 1 260.341 1.383 40 0 CDABMO C[N@H+]1CCC[C@H]1c1cncc(C(=O)NCC2CC2)n1 ZINC000072369321 176384072 /nfs/dbraw/zinc/38/40/72/176384072.db2.gz LRKLBZRCKFGJTH-ZDUSSCGKSA-N 1 1 260.341 1.383 40 0 CDABMO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000072385826 176390699 /nfs/dbraw/zinc/39/06/99/176390699.db2.gz AFAQESASEVZTBQ-AWEZNQCLSA-N 1 1 257.341 1.937 40 0 CDABMO Cn1cc(C[N@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000072385826 176390700 /nfs/dbraw/zinc/39/07/00/176390700.db2.gz AFAQESASEVZTBQ-AWEZNQCLSA-N 1 1 257.341 1.937 40 0 CDABMO CNc1ccc(C[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)nn1 ZINC000072387287 176392711 /nfs/dbraw/zinc/39/27/11/176392711.db2.gz SPTTYAJDDNAUEI-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1ccc(C[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)nn1 ZINC000072387287 176392713 /nfs/dbraw/zinc/39/27/13/176392713.db2.gz SPTTYAJDDNAUEI-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1ccc(C[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)nn1 ZINC000072387287 176392714 /nfs/dbraw/zinc/39/27/14/176392714.db2.gz SPTTYAJDDNAUEI-LBPRGKRZSA-N 1 1 286.383 1.696 40 0 CDABMO CNc1cncc([C@@H]2CCC[N@H+]2CC2(O)CCOCC2)n1 ZINC000257277531 277303395 /nfs/dbraw/zinc/30/33/95/277303395.db2.gz NYHNGUPWMBRFJY-ZDUSSCGKSA-N 1 1 292.383 1.197 40 0 CDABMO CC(C)c1[nH+]ccn1CCNc1ccc2nccnc2n1 ZINC000895987603 619938817 /nfs/dbraw/zinc/93/88/17/619938817.db2.gz GGOBJBQPTPATFE-UHFFFAOYSA-N 1 1 282.351 1.830 40 0 CDABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000169957691 790728578 /nfs/dbraw/zinc/72/85/78/790728578.db2.gz DMRJYLJTODXKLN-LLVKDONJSA-N 1 1 278.352 1.984 40 0 CDABMO C[C@]1(C(=O)N2CC[NH2+]Cc3ccccc32)CCOC1 ZINC000687359564 934282770 /nfs/dbraw/zinc/28/27/70/934282770.db2.gz SSEWUMBWNWRGHE-HNNXBMFYSA-N 1 1 260.337 1.549 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccncc3)C[C@H]2O1 ZINC000097953814 230388534 /nfs/dbraw/zinc/38/85/34/230388534.db2.gz BEDORPOVLGEILD-SOUVJXGZSA-N 1 1 289.379 1.149 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2O1 ZINC000097953814 230388535 /nfs/dbraw/zinc/38/85/35/230388535.db2.gz BEDORPOVLGEILD-SOUVJXGZSA-N 1 1 289.379 1.149 40 0 CDABMO Cn1cc(N2CC[C@@]3(CC[N@@H+](CC4CC4)C3)C2=O)cn1 ZINC000096050550 185074538 /nfs/dbraw/zinc/07/45/38/185074538.db2.gz YTGCXZHEQQCSKS-OAHLLOKOSA-N 1 1 274.368 1.259 40 0 CDABMO O=C([C@H]1C[N@@H+](CC2CC2)CC12CCOCC2)N1CCCC1 ZINC000096052194 185075104 /nfs/dbraw/zinc/07/51/04/185075104.db2.gz DGNJHOVPWCETDH-OAHLLOKOSA-N 1 1 292.423 1.747 40 0 CDABMO CCOC[C@H]1C[N@H+](Cc2ccncc2)Cc2cn(C)nc21 ZINC000096059847 185080510 /nfs/dbraw/zinc/08/05/10/185080510.db2.gz SMAKHHAHBAEAPI-OAHLLOKOSA-N 1 1 286.379 1.951 40 0 CDABMO CCOC[C@H]1C[N@@H+](Cc2ccncc2)Cc2cn(C)nc21 ZINC000096059847 185080512 /nfs/dbraw/zinc/08/05/12/185080512.db2.gz SMAKHHAHBAEAPI-OAHLLOKOSA-N 1 1 286.379 1.951 40 0 CDABMO CN(C)C(=O)[C@H]1CO[C@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2C1 ZINC000096065993 185084456 /nfs/dbraw/zinc/08/44/56/185084456.db2.gz XAAAQOJKRMXKNC-KFWWJZLASA-N 1 1 292.379 1.595 40 0 CDABMO Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)CNC(=O)[C@@H]3C)oc1C ZINC000096070430 185085703 /nfs/dbraw/zinc/08/57/03/185085703.db2.gz FOEDGDRDHLSRQK-OSMZGAPFSA-N 1 1 262.353 1.710 40 0 CDABMO Cn1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)cn1 ZINC000096108713 185099490 /nfs/dbraw/zinc/09/94/90/185099490.db2.gz MBDOHTKNIKWYND-HZPDHXFCSA-N 1 1 291.395 1.295 40 0 CDABMO Cc1cc(CN2Cc3ccnn3CC[C@H]2C[NH+](C)C)n[nH]1 ZINC000585096978 342211909 /nfs/dbraw/zinc/21/19/09/342211909.db2.gz GGXRAPDIARYIOR-AWEZNQCLSA-N 1 1 288.399 1.251 40 0 CDABMO O=C(C[C@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]12)N1CCCC1 ZINC000107745926 186189424 /nfs/dbraw/zinc/18/94/24/186189424.db2.gz YFLGMEQNXKYPJD-MUJYYYPQSA-N 1 1 292.423 1.603 40 0 CDABMO O=S(=O)(c1csc2ccccc21)N1CC[NH2+]CC1 ZINC000015043060 356405410 /nfs/dbraw/zinc/40/54/10/356405410.db2.gz FXXDFACEVLUYNO-UHFFFAOYSA-N 1 1 282.390 1.495 40 0 CDABMO C[N@H+]1[C@H]2C[C@@H]1CC(COC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000021983982 356594060 /nfs/dbraw/zinc/59/40/60/356594060.db2.gz PQJCHUMCSYRJAF-WDVRLDOZSA-N 1 1 289.375 1.788 40 0 CDABMO CN1C(SCc2ccccc2)=[NH+][C@@H]2CS(=O)(=O)C[C@H]21 ZINC000032508675 356780364 /nfs/dbraw/zinc/78/03/64/356780364.db2.gz PZGJULCPIZZAGY-VXGBXAGGSA-N 1 1 296.417 1.387 40 0 CDABMO CC[NH+]1CCN(C(=O)COc2ccc(C)c(C)c2)CC1 ZINC000014398387 357214457 /nfs/dbraw/zinc/21/44/57/357214457.db2.gz OMBYGHRCZFHGDW-UHFFFAOYSA-N 1 1 276.380 1.846 40 0 CDABMO CN(C)C[C@@H]1C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]2[N@H+]1C ZINC000096185557 358714226 /nfs/dbraw/zinc/71/42/26/358714226.db2.gz NYCMELLRCVPEDZ-IPYPFGDCSA-N 1 1 290.411 1.111 40 0 CDABMO CN1[C@H](C[NH+](C)C)C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]21 ZINC000096185557 358714227 /nfs/dbraw/zinc/71/42/27/358714227.db2.gz NYCMELLRCVPEDZ-IPYPFGDCSA-N 1 1 290.411 1.111 40 0 CDABMO CC(C)[N@H+]1C[C@@H](N(C)Cc2cncnc2)[C@@H]2OCCC[C@@H]21 ZINC000096186924 358714979 /nfs/dbraw/zinc/71/49/79/358714979.db2.gz QREBMZCTYUAFMH-ARFHVFGLSA-N 1 1 290.411 1.549 40 0 CDABMO c1cnn(Cc2c[nH+]c3n2CCN(c2ccccn2)CC3)c1 ZINC000096196945 358715895 /nfs/dbraw/zinc/71/58/95/358715895.db2.gz PAOLNZBOYFFQDV-UHFFFAOYSA-N 1 1 294.362 1.586 40 0 CDABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)N1CCCC1)C2 ZINC000096218575 358722103 /nfs/dbraw/zinc/72/21/03/358722103.db2.gz MREFTKDFRFURJV-UKRRQHHQSA-N 1 1 281.400 1.102 40 0 CDABMO COCC[N@H+]1CC[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC000096246094 358725622 /nfs/dbraw/zinc/72/56/22/358725622.db2.gz HQBCKPZUXHESGC-GXTWGEPZSA-N 1 1 294.420 1.788 40 0 CDABMO C[C@H](C(=O)N(C)Cc1ncc[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000331618076 204016290 /nfs/dbraw/zinc/01/62/90/204016290.db2.gz DXPAHJBLJYPFBN-CYBMUJFWSA-N 1 1 298.390 1.815 40 0 CDABMO C[C@H](C(=O)N(C)Cc1ncc[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000331618076 204016293 /nfs/dbraw/zinc/01/62/93/204016293.db2.gz DXPAHJBLJYPFBN-CYBMUJFWSA-N 1 1 298.390 1.815 40 0 CDABMO CCOC[C@@H]1CC[N@H+](C)C2(CN(c3nnc(C)s3)C2)C1 ZINC000248128583 189945102 /nfs/dbraw/zinc/94/51/02/189945102.db2.gz MNEGFXLEYNDEBR-GFCCVEGCSA-N 1 1 296.440 1.784 40 0 CDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(c3nnc(C)s3)C2)C1 ZINC000248128583 189945103 /nfs/dbraw/zinc/94/51/03/189945103.db2.gz MNEGFXLEYNDEBR-GFCCVEGCSA-N 1 1 296.440 1.784 40 0 CDABMO CN1CC[N@H+](C)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306127331 374967275 /nfs/dbraw/zinc/96/72/75/374967275.db2.gz FWBADEJYUGWBLQ-HNNXBMFYSA-N 1 1 299.422 1.853 40 0 CDABMO CN1CC[N@@H+](C)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306127331 374967280 /nfs/dbraw/zinc/96/72/80/374967280.db2.gz FWBADEJYUGWBLQ-HNNXBMFYSA-N 1 1 299.422 1.853 40 0 CDABMO c1cc(C[N@H+]2CCC3(CC(Nc4ccncn4)C3)C2)n[nH]1 ZINC000257209105 190012203 /nfs/dbraw/zinc/01/22/03/190012203.db2.gz BOZGYNLSMSSRCK-UHFFFAOYSA-N 1 1 284.367 1.666 40 0 CDABMO CN(C)C(=O)[C@@H]1CN(Cc2ccccc2F)CC[N@@H+](C)C1 ZINC000257233277 190017415 /nfs/dbraw/zinc/01/74/15/190017415.db2.gz GOOUWFMSILGMCA-AWEZNQCLSA-N 1 1 293.386 1.278 40 0 CDABMO Cc1ccnc([C@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257266617 190023563 /nfs/dbraw/zinc/02/35/63/190023563.db2.gz MDSSHVGJYIIBEI-AWEZNQCLSA-N 1 1 298.394 1.631 40 0 CDABMO Cc1nccc([C@H]2C[N@@H+](C3CCOCC3)CCO2)n1 ZINC000257277163 190025519 /nfs/dbraw/zinc/02/55/19/190025519.db2.gz NWSLKYNFVKAIJL-CQSZACIVSA-N 1 1 263.341 1.337 40 0 CDABMO Cc1nccc([C@H]2C[N@H+](C3CCOCC3)CCO2)n1 ZINC000257277163 190025520 /nfs/dbraw/zinc/02/55/20/190025520.db2.gz NWSLKYNFVKAIJL-CQSZACIVSA-N 1 1 263.341 1.337 40 0 CDABMO C[N@H+]1CCC[C@@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257300542 190029159 /nfs/dbraw/zinc/02/91/59/190029159.db2.gz RURBJGPKDXTDQP-LLVKDONJSA-N 1 1 261.325 1.847 40 0 CDABMO CNC(=O)c1c[nH]nc1[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000257304080 190030284 /nfs/dbraw/zinc/03/02/84/190030284.db2.gz SJZGJRKSCZIQHN-AWEZNQCLSA-N 1 1 298.390 1.801 40 0 CDABMO Cc1nc[nH]c1C[N@@H+]1CCOC[C@H](Cc2ccncn2)C1 ZINC000257318968 190033280 /nfs/dbraw/zinc/03/32/80/190033280.db2.gz VQCVKNBTSMMRPD-CYBMUJFWSA-N 1 1 287.367 1.199 40 0 CDABMO Cc1nc[nH]c1C[N@H+]1CCOC[C@H](Cc2ccncn2)C1 ZINC000257318968 190033281 /nfs/dbraw/zinc/03/32/81/190033281.db2.gz VQCVKNBTSMMRPD-CYBMUJFWSA-N 1 1 287.367 1.199 40 0 CDABMO C[N@H+]1CCN(c2ncccn2)C[C@@H]1c1ccccc1 ZINC000072366658 390628104 /nfs/dbraw/zinc/62/81/04/390628104.db2.gz QWJSLMWMTAPIHL-CQSZACIVSA-N 1 1 254.337 1.970 40 0 CDABMO CCOC(=O)[C@H](C)[N@H+]1CC[C@H]2C(=O)CCCC[C@@H]21 ZINC000095951499 390911872 /nfs/dbraw/zinc/91/18/72/390911872.db2.gz SIHSXNRSSWYSFM-TUAOUCFPSA-N 1 1 253.342 1.772 40 0 CDABMO CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000195575875 391390221 /nfs/dbraw/zinc/39/02/21/391390221.db2.gz LVHKJWZGIVLNCW-MGPQQGTHSA-N 1 1 286.441 1.602 40 0 CDABMO Cc1cccc(N2CCC(c3ccnn3CCO)CC2)[nH+]1 ZINC000157330240 397605267 /nfs/dbraw/zinc/60/52/67/397605267.db2.gz LLXYOEOSRXOPRL-UHFFFAOYSA-N 1 1 286.379 1.963 40 0 CDABMO CO[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@]12CCCO2 ZINC000257299649 286058691 /nfs/dbraw/zinc/05/86/91/286058691.db2.gz RQYNEFVDRDKOBH-GJZGRUSLSA-N 1 1 269.385 1.683 40 0 CDABMO Cc1ccc(C(=S)N2CC[NH+](CCO)CC2)cc1 ZINC000019842177 170890496 /nfs/dbraw/zinc/89/04/96/170890496.db2.gz ZGFJGHWDHYRPNB-UHFFFAOYSA-N 1 1 264.394 1.280 40 0 CDABMO CCn1nccc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000020349945 171155320 /nfs/dbraw/zinc/15/53/20/171155320.db2.gz CKSOJKGMASNXOK-UHFFFAOYSA-N 1 1 287.289 1.945 40 0 CDABMO CCc1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000046463099 175396815 /nfs/dbraw/zinc/39/68/15/175396815.db2.gz MEVJLJBPQKELNV-UHFFFAOYSA-N 1 1 262.353 1.402 40 0 CDABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072355654 176374782 /nfs/dbraw/zinc/37/47/82/176374782.db2.gz JQXDLTRFOTWMEQ-ZDUSSCGKSA-N 1 1 285.351 1.198 40 0 CDABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072355654 176374784 /nfs/dbraw/zinc/37/47/84/176374784.db2.gz JQXDLTRFOTWMEQ-ZDUSSCGKSA-N 1 1 285.351 1.198 40 0 CDABMO C[N@@H+]1CCO[C@](C)(C(=O)Nc2ccc(F)cc2)C1 ZINC000072379311 176386844 /nfs/dbraw/zinc/38/68/44/176386844.db2.gz UPVDPBFIPUOZOK-ZDUSSCGKSA-N 1 1 252.289 1.485 40 0 CDABMO C[N@H+]1CCO[C@](C)(C(=O)Nc2ccc(F)cc2)C1 ZINC000072379311 176386845 /nfs/dbraw/zinc/38/68/45/176386845.db2.gz UPVDPBFIPUOZOK-ZDUSSCGKSA-N 1 1 252.289 1.485 40 0 CDABMO OCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccncc2)[nH]n1 ZINC000072385029 176389479 /nfs/dbraw/zinc/38/94/79/176389479.db2.gz ALSNTZHISSQRRP-HNNXBMFYSA-N 1 1 272.352 1.677 40 0 CDABMO OCCc1cc([C@@H]2CCC[N@H+]2Cc2ccncc2)[nH]n1 ZINC000072385029 176389480 /nfs/dbraw/zinc/38/94/80/176389480.db2.gz ALSNTZHISSQRRP-HNNXBMFYSA-N 1 1 272.352 1.677 40 0 CDABMO Cc1cnc(C[C@H]2COCC[N@H+](C3CCOCC3)C2)cn1 ZINC000072388207 176393217 /nfs/dbraw/zinc/39/32/17/176393217.db2.gz VTYKYRBEUYOQCE-CQSZACIVSA-N 1 1 291.395 1.455 40 0 CDABMO COc1ccc([C@H]2C[C@H](C)[N@@H+](CCS(C)(=O)=O)C2)cc1 ZINC000076393053 177014425 /nfs/dbraw/zinc/01/44/25/177014425.db2.gz WPLZMBYXNBJWHB-JSGCOSHPSA-N 1 1 297.420 1.918 40 0 CDABMO O=C1N(Cc2ccccn2)C[C@H]2C[N@@H+](CC3CC3)CCN12 ZINC000077266622 177247203 /nfs/dbraw/zinc/24/72/03/177247203.db2.gz XWPMBVAJRSRUSQ-OAHLLOKOSA-N 1 1 286.379 1.413 40 0 biogenic,in-vitro CDABMO CN1CCC([N@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)CC1 ZINC000049168807 424366253 /nfs/dbraw/zinc/36/62/53/424366253.db2.gz YVGNPLMJQXRLPO-LBPRGKRZSA-N 1 1 285.395 1.841 40 0 biogenic,in-vitro CDABMO Nc1ncc2c(n1)-c1ccccc1O[C@@H]2[NH2+]C1CC1 ZINC000031872220 274966548 /nfs/dbraw/zinc/96/65/48/274966548.db2.gz OWALIUZJENNSDY-ZDUSSCGKSA-N 1 1 254.293 1.869 40 0 CDABMO COc1ncnc2c1CC[N@@H+](Cc1c(C)noc1C)CC2 ZINC000096058737 278098831 /nfs/dbraw/zinc/09/88/31/278098831.db2.gz BLLJTMAIIMHFTG-UHFFFAOYSA-N 1 1 288.351 1.691 40 0 CDABMO Cn1ccc([C@H]2[NH2+]CCc3cc4c(cc32)OCO4)n1 ZINC000019291106 279365168 /nfs/dbraw/zinc/36/51/68/279365168.db2.gz OLVRACKXQAYSNV-AWEZNQCLSA-N 1 1 257.293 1.384 40 0 CDABMO Cc1cccc(N2CCO[C@@H](c3cccc(N)n3)C2)[nH+]1 ZINC000257289404 281229169 /nfs/dbraw/zinc/22/91/69/281229169.db2.gz PYLYDEMDCYXSNX-CYBMUJFWSA-N 1 1 270.336 1.945 40 0 CDABMO NC(=O)C[C@H]1COCC[N@H+]1CC1CCC2(CC2)CC1 ZINC000930674327 797903303 /nfs/dbraw/zinc/90/33/03/797903303.db2.gz DTDJFSDKSBZOIK-ZDUSSCGKSA-N 1 1 266.385 1.533 40 0 CDABMO COc1ccc([C@@H]([NH3+])c2nc(-c3cnccn3)n[nH]2)cc1 ZINC000095533683 185006572 /nfs/dbraw/zinc/00/65/72/185006572.db2.gz JZANUZKZBQJPLP-GFCCVEGCSA-N 1 1 282.307 1.318 40 0 CDABMO CCOC(=O)c1nn(-c2cc[nH+]cc2)c(N)c1Cl ZINC000095094644 342528134 /nfs/dbraw/zinc/52/81/34/342528134.db2.gz RIFDKFIYUDHUHR-UHFFFAOYSA-N 1 1 266.688 1.680 40 0 CDABMO CC[C@@H]1[N@@H+](Cc2cnn(C)c2)CCC[C@]12CCC(=O)N2C ZINC000096052414 185074269 /nfs/dbraw/zinc/07/42/69/185074269.db2.gz ZSTUPOBRPUCELI-HOCLYGCPSA-N 1 1 290.411 1.786 40 0 CDABMO CC[N@H+]1CCOC[C@]2(CCCN(C(=O)N(C)C)C2)C1 ZINC000096049619 185074346 /nfs/dbraw/zinc/07/43/46/185074346.db2.gz OJDATRLHGICDDT-CQSZACIVSA-N 1 1 269.389 1.102 40 0 CDABMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)cc1 ZINC000096056468 185077476 /nfs/dbraw/zinc/07/74/76/185077476.db2.gz VQVFBLKROCQKCA-HUUCEWRRSA-N 1 1 274.364 1.890 40 0 CDABMO c1ncc(O[C@H]2C[C@H]3C[N@@H+](CC4CC4)CCN3C2)cn1 ZINC000096055018 185075368 /nfs/dbraw/zinc/07/53/68/185075368.db2.gz GIZHOTULGCNHQK-KBPBESRZSA-N 1 1 274.368 1.024 40 0 CDABMO c1ncc(O[C@H]2C[C@H]3CN(CC4CC4)CC[N@@H+]3C2)cn1 ZINC000096055018 185075369 /nfs/dbraw/zinc/07/53/69/185075369.db2.gz GIZHOTULGCNHQK-KBPBESRZSA-N 1 1 274.368 1.024 40 0 CDABMO c1ncc(O[C@H]2C[C@H]3CN(CC4CC4)CC[N@H+]3C2)cn1 ZINC000096055018 185075370 /nfs/dbraw/zinc/07/53/70/185075370.db2.gz GIZHOTULGCNHQK-KBPBESRZSA-N 1 1 274.368 1.024 40 0 CDABMO O=C(NCc1cn2c(n1)C[N@H+](CC1CC1)CC2)C1CCC1 ZINC000096059472 185081378 /nfs/dbraw/zinc/08/13/78/185081378.db2.gz PSLKYOZKDLECDZ-UHFFFAOYSA-N 1 1 288.395 1.525 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2cccnc2)[C@H]1Cc1cccnc1 ZINC000096061636 185083257 /nfs/dbraw/zinc/08/32/57/185083257.db2.gz ATXROFQFGGILTE-HOTGVXAUSA-N 1 1 269.348 1.655 40 0 CDABMO COCC[N@H+]1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096072449 185088272 /nfs/dbraw/zinc/08/82/72/185088272.db2.gz QFUGTLDKZSMHCV-LSDHHAIUSA-N 1 1 278.352 1.340 40 0 CDABMO COCC[N@H+]1CC[C@@]12CCN(C(=O)c1ccccc1F)C2 ZINC000096075959 185089164 /nfs/dbraw/zinc/08/91/64/185089164.db2.gz NYFSMQLCQCBHKU-MRXNPFEDSA-N 1 1 292.354 1.763 40 0 CDABMO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(C)C3=O)C2)cs1 ZINC000585099664 342212198 /nfs/dbraw/zinc/21/21/98/342212198.db2.gz VROYJZKWNDHFTO-CYBMUJFWSA-N 1 1 265.382 1.506 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)[C@@H]1O ZINC000585292033 342258994 /nfs/dbraw/zinc/25/89/94/342258994.db2.gz VZLGQPXLZGXJNQ-OAGGEKHMSA-N 1 1 290.363 1.374 40 0 CDABMO CO[C@H]1C[N@H+](Cc2ncccc2F)CC[C@@]12CCCO2 ZINC000257330724 362587098 /nfs/dbraw/zinc/58/70/98/362587098.db2.gz XPQAEWRGQNKQLV-GJZGRUSLSA-N 1 1 280.343 1.991 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ncccc2F)CC[C@@]12CCCO2 ZINC000257330724 362587099 /nfs/dbraw/zinc/58/70/99/362587099.db2.gz XPQAEWRGQNKQLV-GJZGRUSLSA-N 1 1 280.343 1.991 40 0 CDABMO CCOC[C@]1([NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218029324 362783508 /nfs/dbraw/zinc/78/35/08/362783508.db2.gz VLLHTZMHRUKFDW-RDBSUJKOSA-N 1 1 283.393 1.321 40 0 CDABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C)[C@H]2C1 ZINC000107260295 186164093 /nfs/dbraw/zinc/16/40/93/186164093.db2.gz DVLZWPLMKDAPIO-JKSUJKDBSA-N 1 1 258.365 1.881 40 0 CDABMO CN1CC[C@@]2(CCC[N@@H+](Cc3ccncc3)CC2)C1=O ZINC000108527018 186220659 /nfs/dbraw/zinc/22/06/59/186220659.db2.gz YVVZNSXPLHKVFO-MRXNPFEDSA-N 1 1 273.380 1.916 40 0 CDABMO C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000062033737 362977617 /nfs/dbraw/zinc/97/76/17/362977617.db2.gz UMZOBOVYNRCVPO-JOYOIKCWSA-N 1 1 268.357 1.535 40 0 CDABMO C[NH2+][C@H](CC[NH+]1CCCCC1)CN1CCCCC1 ZINC000022873544 356622632 /nfs/dbraw/zinc/62/26/32/356622632.db2.gz RUXWKZUHMGQHFE-OAHLLOKOSA-N 1 1 253.434 1.936 40 0 CDABMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000030822987 356754623 /nfs/dbraw/zinc/75/46/23/356754623.db2.gz SXPIEQWMLKBCFA-UHFFFAOYSA-N 1 1 297.399 1.254 40 0 CDABMO CC[C@H](OC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000034930196 356824705 /nfs/dbraw/zinc/82/47/05/356824705.db2.gz GVESYJYZESSUIU-HOTGVXAUSA-N 1 1 279.380 1.847 40 0 CDABMO C[N@H+]1C[C@H](CO)CC12CN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000585093821 358098611 /nfs/dbraw/zinc/09/86/11/358098611.db2.gz HRENZTBOUQYCEJ-SNVBAGLBSA-N 1 1 296.317 1.103 40 0 CDABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000082332429 358160814 /nfs/dbraw/zinc/16/08/14/358160814.db2.gz PQTPSLOYVOZHKQ-LLVKDONJSA-N 1 1 278.352 1.984 40 0 CDABMO CN(C)C(=O)C[N@@H+]1CCC2(CN(Cc3cccs3)C2)C1 ZINC000096202645 358719552 /nfs/dbraw/zinc/71/95/52/358719552.db2.gz XACKOPXGCOXOJD-UHFFFAOYSA-N 1 1 293.436 1.344 40 0 CDABMO CN(C)C(=O)C[N@H+]1CCC2(CN(Cc3cccs3)C2)C1 ZINC000096202645 358719556 /nfs/dbraw/zinc/71/95/56/358719556.db2.gz XACKOPXGCOXOJD-UHFFFAOYSA-N 1 1 293.436 1.344 40 0 CDABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)c1cocn1)CC2 ZINC000096216198 358721139 /nfs/dbraw/zinc/72/11/39/358721139.db2.gz FCVOZIYDGZSRML-GFCCVEGCSA-N 1 1 293.367 1.248 40 0 CDABMO CNC(=O)C[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2O1 ZINC000096217246 358721301 /nfs/dbraw/zinc/72/13/01/358721301.db2.gz VEPMSCMRZFMQMO-AEGPPILISA-N 1 1 292.354 1.551 40 0 CDABMO C[N@H+]1CCCC[C@@]12CCCN(C(=O)c1cnccn1)C2 ZINC000096217575 358722248 /nfs/dbraw/zinc/72/22/48/358722248.db2.gz NJGQINXDKCLCIB-HNNXBMFYSA-N 1 1 274.368 1.567 40 0 CDABMO COCC[N@H+]1CCCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096227887 358723864 /nfs/dbraw/zinc/72/38/64/358723864.db2.gz LWPVUZNUARERPA-UHFFFAOYSA-N 1 1 292.379 1.997 40 0 CDABMO Cc1ccc(CN2CC3(C2)CO[C@H](C[NH+](C)C)C3)o1 ZINC000096239515 358724411 /nfs/dbraw/zinc/72/44/11/358724411.db2.gz LCUYQSYQUUHIKU-AWEZNQCLSA-N 1 1 264.369 1.741 40 0 CDABMO Cc1ncnc2c1CC[N@@H+](CC1CCOCC1)CC2 ZINC000096254993 358727959 /nfs/dbraw/zinc/72/79/59/358727959.db2.gz AGBZJTKAJPPQMI-UHFFFAOYSA-N 1 1 261.369 1.612 40 0 CDABMO C[NH+](C)Cc1[nH]nc2c1CCN(C(=O)CC1CC1)C2 ZINC000096255839 358728822 /nfs/dbraw/zinc/72/88/22/358728822.db2.gz SKUGAHGDPXLFIU-UHFFFAOYSA-N 1 1 262.357 1.156 40 0 CDABMO c1nc2c(c(C3CC3)n1)CC[N@H+](C1CCOCC1)CC2 ZINC000096255127 358728900 /nfs/dbraw/zinc/72/89/00/358728900.db2.gz BRXWCBQWJLFZFV-UHFFFAOYSA-N 1 1 273.380 1.934 40 0 CDABMO CCc1ccc2c(C3CN(S(C)(=O)=O)C3)[nH+]cn2c1 ZINC000096260732 358729492 /nfs/dbraw/zinc/72/94/92/358729492.db2.gz JJHGYNUZXUFJDL-UHFFFAOYSA-N 1 1 279.365 1.256 40 0 CDABMO C[NH+](C)CCN(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421161 364817224 /nfs/dbraw/zinc/81/72/24/364817224.db2.gz NFEHYXKIJQEDKA-OAHLLOKOSA-N 1 1 296.436 1.237 40 0 CDABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218516867 372960591 /nfs/dbraw/zinc/96/05/91/372960591.db2.gz KWYIZCINPHWJAP-KKUMJFAQSA-N 1 1 297.420 1.493 40 0 CDABMO C[N@@H+](C[C@H](O)CC1CCCC1)[C@@H]1CCCCNC1=O ZINC000225596881 374926727 /nfs/dbraw/zinc/92/67/27/374926727.db2.gz WMZNYJLIVXECMH-ZIAGYGMSSA-N 1 1 268.401 1.528 40 0 CDABMO C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H](C)N1C[C@H]1CCOC1 ZINC000225598699 375169722 /nfs/dbraw/zinc/16/97/22/375169722.db2.gz DXKAABMWUJOQEF-QKPAOTATSA-N 1 1 282.428 1.454 40 0 CDABMO C[C@@H]1CN(C[C@H]2CCOC2)C[C@H](C)[N@H+]1C[C@H]1CCOC1 ZINC000225598699 375169727 /nfs/dbraw/zinc/16/97/27/375169727.db2.gz DXKAABMWUJOQEF-QKPAOTATSA-N 1 1 282.428 1.454 40 0 CDABMO C[C@@H]1CN(C[C@H]2CCOC2)C[C@H](C)[N@@H+]1C[C@H]1CCOC1 ZINC000225598699 375169730 /nfs/dbraw/zinc/16/97/30/375169730.db2.gz DXKAABMWUJOQEF-QKPAOTATSA-N 1 1 282.428 1.454 40 0 CDABMO C[N@H+]1CCC[C@@H]1c1ccnc(C(=O)NCC2CC2)c1 ZINC000257205129 190011285 /nfs/dbraw/zinc/01/12/85/190011285.db2.gz AXUPWHQQNRFMSN-CQSZACIVSA-N 1 1 259.353 1.988 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3n[nH]cc3C)C2)CC1 ZINC000257205534 190011799 /nfs/dbraw/zinc/01/17/99/190011799.db2.gz AZMWZGPTBTYUCZ-ZDUSSCGKSA-N 1 1 276.384 1.518 40 0 CDABMO CNc1cc(C)[nH+]c([C@H]2CN(Cc3c[nH]cn3)CCO2)c1 ZINC000257246188 190019306 /nfs/dbraw/zinc/01/93/06/190019306.db2.gz ISYHNFBDVLCQNU-OAHLLOKOSA-N 1 1 287.367 1.728 40 0 CDABMO COCC[N@H+]1CCC[C@H](c2nccnc2-c2cc[nH]n2)C1 ZINC000257273741 190024380 /nfs/dbraw/zinc/02/43/80/190024380.db2.gz NIAIPFNEZUXILD-LBPRGKRZSA-N 1 1 287.367 1.693 40 0 CDABMO Cc1cnc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@@H+]3C)cn1 ZINC000257316004 190032844 /nfs/dbraw/zinc/03/28/44/190032844.db2.gz VDSABRWOPSGTQP-HOCLYGCPSA-N 1 1 288.395 1.874 40 0 CDABMO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257332809 190035798 /nfs/dbraw/zinc/03/57/98/190035798.db2.gz XYSZBIDIVHOUOO-GFCCVEGCSA-N 1 1 257.341 1.806 40 0 CDABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257332809 190035799 /nfs/dbraw/zinc/03/57/99/190035799.db2.gz XYSZBIDIVHOUOO-GFCCVEGCSA-N 1 1 257.341 1.806 40 0 CDABMO CCCCCC[N@@H+](C)C12CN3CN(CN(C3)C1)C2 ZINC000019319038 390226266 /nfs/dbraw/zinc/22/62/66/390226266.db2.gz GLVQWYHONYFDHR-UHFFFAOYSA-N 1 1 252.406 1.057 40 0 CDABMO CC[C@H]([NH3+])c1cnc(N2CCN(CC)CC2)cc1C ZINC000072223635 390623987 /nfs/dbraw/zinc/62/39/87/390623987.db2.gz DEQFHOAXOZWDBR-AWEZNQCLSA-N 1 1 262.401 1.942 40 0 CDABMO Cc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2Cc2ccccc2)o1 ZINC000072228141 390627124 /nfs/dbraw/zinc/62/71/24/390627124.db2.gz HZLPTKYQSRNJBZ-KGLIPLIRSA-N 1 1 256.305 1.999 40 0 CDABMO CO[C@@H]1Cn2cccc2C[N@H+](C2CCOCC2)C1 ZINC000247917661 391423288 /nfs/dbraw/zinc/42/32/88/391423288.db2.gz ZPZJWMRQJRONOB-CQSZACIVSA-N 1 1 250.342 1.498 40 0 CDABMO OCCOc1cccc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)c1 ZINC000257322781 391649576 /nfs/dbraw/zinc/64/95/76/391649576.db2.gz WHJLDMREONBYKA-AWEZNQCLSA-N 1 1 287.363 1.770 40 0 CDABMO CC(C)[N@H+]1CCC[C@@H]1c1cncc(N2CCOC2=O)n1 ZINC000257301942 391649794 /nfs/dbraw/zinc/64/97/94/391649794.db2.gz SARKJDZUQGKMOO-GFCCVEGCSA-N 1 1 276.340 1.979 40 0 CDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccc2c(c1)OCO2 ZINC000242687315 391944982 /nfs/dbraw/zinc/94/49/82/391944982.db2.gz UEVQFQHLXDQCMU-QWRGUYRKSA-N 1 1 263.293 1.234 40 0 CDABMO Cc1cc(=O)cc([C@@H]2CCC[N@H+]2C2CCOCC2)[nH]1 ZINC000072364352 176379241 /nfs/dbraw/zinc/37/92/41/176379241.db2.gz ITGDSPLUYOQEHF-HNNXBMFYSA-N 1 1 262.353 1.999 40 0 CDABMO C[C@@]1(C(N)=O)C[N@@H+](Cc2cccc3ccccc32)CCO1 ZINC000072379455 176386479 /nfs/dbraw/zinc/38/64/79/176386479.db2.gz FACAUZJEWBWVCC-KRWDZBQOSA-N 1 1 284.359 1.916 40 0 CDABMO C[N@H+]1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000072383486 176389060 /nfs/dbraw/zinc/38/90/60/176389060.db2.gz CODUKAZUXXQVIE-GFCCVEGCSA-N 1 1 284.367 1.895 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccccc1F ZINC000072397631 176394819 /nfs/dbraw/zinc/39/48/19/176394819.db2.gz NATSZFVMWUSTQR-KWCYVHTRSA-N 1 1 264.344 1.465 40 0 CDABMO O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1C[NH+]1CCCCC1 ZINC000073257330 275028617 /nfs/dbraw/zinc/02/86/17/275028617.db2.gz JOXGDXPHRUSJGU-HNNXBMFYSA-N 1 1 299.374 1.819 40 0 CDABMO CCC[N@H+]1C[C@@H]2[C@@H](C1)N(CC1CC1)C(=O)c1cccn12 ZINC000306141445 276263952 /nfs/dbraw/zinc/26/39/52/276263952.db2.gz VWKUIKSVVUPRLY-HUUCEWRRSA-N 1 1 273.380 1.989 40 0 CDABMO CCOC(=O)[C@@H]1C[N@@H+](C)C[C@]12CCc1ccccc1C2=O ZINC000019530643 276288712 /nfs/dbraw/zinc/28/87/12/276288712.db2.gz UCQMGPBIXUFQID-WMLDXEAASA-N 1 1 287.359 1.927 40 0 CDABMO CC(C)N1CC[N@@H+](CCc2ccccc2)C[C@H]1C(N)=O ZINC000247974627 334292586 /nfs/dbraw/zinc/29/25/86/334292586.db2.gz FITFINWTRXQKFB-HNNXBMFYSA-N 1 1 275.396 1.109 40 0 CDABMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2cccnn2)C1 ZINC000930346993 933364185 /nfs/dbraw/zinc/36/41/85/933364185.db2.gz LSBMFSWSQCUTIT-ZDUSSCGKSA-N 1 1 289.383 1.672 40 0 CDABMO COc1ccc([C@H]([NH3+])c2nc(-c3cccnc3)n[nH]2)cc1 ZINC000095533676 185006944 /nfs/dbraw/zinc/00/69/44/185006944.db2.gz NWLLCHDWDTYWLO-ZDUSSCGKSA-N 1 1 281.319 1.923 40 0 CDABMO Cc1ccc(CN2CCC3(CC2)COCC[N@H+]3C)o1 ZINC000096048902 185073498 /nfs/dbraw/zinc/07/34/98/185073498.db2.gz BSIKKODQWMQTPH-UHFFFAOYSA-N 1 1 264.369 1.885 40 0 CDABMO Cc1ccc(CN2CCC3(CC2)COCC[N@@H+]3C)o1 ZINC000096048902 185073500 /nfs/dbraw/zinc/07/35/00/185073500.db2.gz BSIKKODQWMQTPH-UHFFFAOYSA-N 1 1 264.369 1.885 40 0 CDABMO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096055563 185076279 /nfs/dbraw/zinc/07/62/79/185076279.db2.gz BWFNQOJSTJUVJJ-UPJWGTAASA-N 1 1 280.393 1.568 40 0 CDABMO Cn1cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)cn1 ZINC000096055702 185076284 /nfs/dbraw/zinc/07/62/84/185076284.db2.gz QDPYELNYEWRDNG-LSDHHAIUSA-N 1 1 297.362 1.195 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)cn1 ZINC000096055702 185076285 /nfs/dbraw/zinc/07/62/85/185076285.db2.gz QDPYELNYEWRDNG-LSDHHAIUSA-N 1 1 297.362 1.195 40 0 CDABMO Cn1ccc(C(=O)N2CC[C@]3(CC[N@H+]3CC3CC3)C2)n1 ZINC000096075993 185089473 /nfs/dbraw/zinc/08/94/73/185089473.db2.gz JPDXZLZSIYCSJI-HNNXBMFYSA-N 1 1 274.368 1.121 40 0 CDABMO COCc1nnc2n1CC[N@H+](Cc1ccc(C)o1)[C@H](C)C2 ZINC000585097702 342211632 /nfs/dbraw/zinc/21/16/32/342211632.db2.gz MWMCIZTTZVEKJK-LLVKDONJSA-N 1 1 290.367 1.773 40 0 CDABMO c1cc2n(n1)CC[C@H](COc1cnccn1)[N@H+](C1CCC1)C2 ZINC000585096679 342211865 /nfs/dbraw/zinc/21/18/65/342211865.db2.gz AATPPXUGCXZPKJ-OAHLLOKOSA-N 1 1 299.378 1.879 40 0 CDABMO Cc1ccccc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC000585104383 342212929 /nfs/dbraw/zinc/21/29/29/342212929.db2.gz LNPXPFJIIOKYOC-QGZVFWFLSA-N 1 1 288.391 1.676 40 0 CDABMO CONC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000157421355 342221425 /nfs/dbraw/zinc/22/14/25/342221425.db2.gz UURWMCKUXPWKNP-OAHLLOKOSA-N 1 1 277.368 1.902 40 0 CDABMO CCCCc1ccc(C[N@@H+]2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2C)cc1 ZINC000585295110 342260692 /nfs/dbraw/zinc/26/06/92/342260692.db2.gz MAWHZKVJFGHNDO-NKKGCODLSA-N 1 1 293.407 1.316 40 0 CDABMO O[C@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1Cc1ccccc1 ZINC000585276501 342256366 /nfs/dbraw/zinc/25/63/66/342256366.db2.gz ATSLBDOYCPYRPI-ZBFHGGJFSA-N 1 1 271.364 1.835 40 0 CDABMO O[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1Cc1ccccc1 ZINC000585276501 342256367 /nfs/dbraw/zinc/25/63/67/342256367.db2.gz ATSLBDOYCPYRPI-ZBFHGGJFSA-N 1 1 271.364 1.835 40 0 CDABMO C[NH+](C)[C@@]1([C@@H](CN)CO)C[C@H]2CC[C@]1(C)C2(C)C ZINC000072210465 342272778 /nfs/dbraw/zinc/27/27/78/342272778.db2.gz SYVBJXKIQQWHLO-AYRXBEOTSA-N 1 1 254.418 1.700 40 0 CDABMO CCOc1ccccc1OCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000079065152 362157682 /nfs/dbraw/zinc/15/76/82/362157682.db2.gz UGQXXJQKZNJKFQ-ZDUSSCGKSA-N 1 1 292.379 1.675 40 0 CDABMO CCS(=O)(=O)N(C)C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000157495112 136396335 /nfs/dbraw/zinc/39/63/35/136396335.db2.gz DUKJYTNSIUOKEO-UHFFFAOYSA-N 1 1 297.424 1.640 40 0 CDABMO COC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000107204754 186162339 /nfs/dbraw/zinc/16/23/39/186162339.db2.gz QTCYIYOWIFPXHI-SRVKXCTJSA-N 1 1 268.382 1.911 40 0 CDABMO COC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)O1 ZINC000107204754 186162341 /nfs/dbraw/zinc/16/23/41/186162341.db2.gz QTCYIYOWIFPXHI-SRVKXCTJSA-N 1 1 268.382 1.911 40 0 CDABMO Cc1nn(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)c(C)c1C ZINC000019556632 356491345 /nfs/dbraw/zinc/49/13/45/356491345.db2.gz CAOJHVDZUKBXBZ-GFCCVEGCSA-N 1 1 292.427 1.799 40 0 CDABMO C[C@H](CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@H]1C)c1ccccc1 ZINC000072397653 357832953 /nfs/dbraw/zinc/83/29/53/357832953.db2.gz XNDXTISCGFIKDH-TXCZRRACSA-N 1 1 274.408 1.929 40 0 CDABMO C[C@H](C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C[C@H]1C)c1ccccc1 ZINC000072397653 357832954 /nfs/dbraw/zinc/83/29/54/357832954.db2.gz XNDXTISCGFIKDH-TXCZRRACSA-N 1 1 274.408 1.929 40 0 CDABMO C[C@H](C[N@H+]1C[C@@H]2C[C@@H](O)CN2C[C@H]1C)c1ccccc1 ZINC000072397653 357832956 /nfs/dbraw/zinc/83/29/56/357832956.db2.gz XNDXTISCGFIKDH-TXCZRRACSA-N 1 1 274.408 1.929 40 0 CDABMO CCOC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000073153775 357868691 /nfs/dbraw/zinc/86/86/91/357868691.db2.gz ARJZLFXHTGUVEC-ZDUSSCGKSA-N 1 1 282.384 1.130 40 0 CDABMO COc1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000027932414 357945995 /nfs/dbraw/zinc/94/59/95/357945995.db2.gz QVEXLZPLUKRTBR-CYBMUJFWSA-N 1 1 290.363 1.624 40 0 CDABMO C[N@H+]1CCC2(C1)CCN(C(=O)Cc1cccnc1)CC2 ZINC000096157669 358710103 /nfs/dbraw/zinc/71/01/03/358710103.db2.gz YZHCVCHDIZGUII-UHFFFAOYSA-N 1 1 273.380 1.568 40 0 CDABMO CCN1CC[N@H+](C)C2(CCN(c3cccnc3)CC2)C1=O ZINC000096230037 358723974 /nfs/dbraw/zinc/72/39/74/358723974.db2.gz VLHALDYJMNWXBH-UHFFFAOYSA-N 1 1 288.395 1.215 40 0 CDABMO CCN1CC[N@@H+](C)C2(CCN(c3cccnc3)CC2)C1=O ZINC000096230037 358723977 /nfs/dbraw/zinc/72/39/77/358723977.db2.gz VLHALDYJMNWXBH-UHFFFAOYSA-N 1 1 288.395 1.215 40 0 CDABMO CCC[N@H+]1CCCn2nnc(CNc3cccnc3)c2C1 ZINC000096259504 358728401 /nfs/dbraw/zinc/72/84/01/358728401.db2.gz OVBBECZXXXAUCQ-UHFFFAOYSA-N 1 1 286.383 1.901 40 0 CDABMO C[N@H+]1CCC[C@]2(CN(C(=O)c3ccncc3)CCO2)C1 ZINC000096268586 358730823 /nfs/dbraw/zinc/73/08/23/358730823.db2.gz IAMGLIMEOVXARE-OAHLLOKOSA-N 1 1 275.352 1.018 40 0 CDABMO Cc1cc(C)cc(OCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000028227086 359327794 /nfs/dbraw/zinc/32/77/94/359327794.db2.gz LMXPPPBKNMJCBB-OAHLLOKOSA-N 1 1 288.391 1.989 40 0 CDABMO CCCc1c(N)n(-c2ccccn2)nc1C[NH+](C)C ZINC000026512269 370731556 /nfs/dbraw/zinc/73/15/56/370731556.db2.gz CCHMBKKYOLJWGI-UHFFFAOYSA-N 1 1 259.357 1.864 40 0 CDABMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc3ccoc32)C1 ZINC000333463281 205343436 /nfs/dbraw/zinc/34/34/36/205343436.db2.gz UZZKWBMGESNEGA-NSHDSACASA-N 1 1 280.349 1.415 40 0 CDABMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc3ccoc32)C1 ZINC000333463281 205343440 /nfs/dbraw/zinc/34/34/40/205343440.db2.gz UZZKWBMGESNEGA-NSHDSACASA-N 1 1 280.349 1.415 40 0 CDABMO CC[N@H+](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072801392 374067352 /nfs/dbraw/zinc/06/73/52/374067352.db2.gz CBVLAYULLBVAGD-CYBMUJFWSA-N 1 1 253.367 1.696 40 0 CDABMO CC[N@@H+](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072801392 374067357 /nfs/dbraw/zinc/06/73/57/374067357.db2.gz CBVLAYULLBVAGD-CYBMUJFWSA-N 1 1 253.367 1.696 40 0 CDABMO [NH3+]CC(F)(F)CNC(=O)[C@H]1CCCc2ccccc21 ZINC000162583950 375387417 /nfs/dbraw/zinc/38/74/17/375387417.db2.gz FRZUVKUKVUHNSZ-LBPRGKRZSA-N 1 1 268.307 1.817 40 0 CDABMO COc1ccc([C@@]23CCC(=O)N2CC[NH2+]3)cc1OC ZINC000256027812 190002622 /nfs/dbraw/zinc/00/26/22/190002622.db2.gz DDLNCEMPSUIBCI-CQSZACIVSA-N 1 1 262.309 1.082 40 0 CDABMO O=C(C[N@H+]1CC[C@@H](c2cc[nH]n2)C1)N1CCCCC1 ZINC000257241690 190018236 /nfs/dbraw/zinc/01/82/36/190018236.db2.gz HZDULNDSBHJQJT-GFCCVEGCSA-N 1 1 262.357 1.212 40 0 CDABMO Cc1nc(C(=O)NCC2CC2)cc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257246087 190019440 /nfs/dbraw/zinc/01/94/40/190019440.db2.gz ISKUTDXWYTYUBK-CYBMUJFWSA-N 1 1 288.395 1.734 40 0 CDABMO Cc1cncc(C2CC[NH+](Cc3cnccn3)CC2)n1 ZINC000257279907 190025368 /nfs/dbraw/zinc/02/53/68/190025368.db2.gz OIQPRZFTRJIPPP-UHFFFAOYSA-N 1 1 269.352 1.955 40 0 CDABMO C[N@H+]1CCCN(C(=O)c2cncc(-c3cncnc3)c2)CC1 ZINC000257280558 190025755 /nfs/dbraw/zinc/02/57/55/190025755.db2.gz OLJHTVBVVUCWIW-UHFFFAOYSA-N 1 1 297.362 1.316 40 0 CDABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000257288286 190027177 /nfs/dbraw/zinc/02/71/77/190027177.db2.gz PTPJVTAWHTZZPS-LBPRGKRZSA-N 1 1 257.341 1.806 40 0 CDABMO CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)C2(CN)C[NH3+])cc1 ZINC000218396209 375826941 /nfs/dbraw/zinc/82/69/41/375826941.db2.gz CNRMZWACIZSSRP-KGLIPLIRSA-N 1 1 296.436 1.053 40 0 CDABMO C[N@H+]1CCN(Cc2ncc[nH]2)C[C@H]1c1ccccc1 ZINC000257299165 190029621 /nfs/dbraw/zinc/02/96/21/190029621.db2.gz ROZDFTDOJQTONL-AWEZNQCLSA-N 1 1 256.353 1.898 40 0 CDABMO CC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069472744 378118428 /nfs/dbraw/zinc/11/84/28/378118428.db2.gz TXNAZQHOLLNFJL-UONOGXRCSA-N 1 1 297.443 1.854 40 0 CDABMO Cc1cc([C@@H](C)[NH3+])cnc1N1CCN(C(C)C)CC1 ZINC000072222669 256705886 /nfs/dbraw/zinc/70/58/86/256705886.db2.gz OPNNINJSSPLLAN-CYBMUJFWSA-N 1 1 262.401 1.940 40 0 CDABMO CC(C)(C)OC(=O)N1CCC[N@H+](Cn2ccnc2)CC1 ZINC000022115326 390237378 /nfs/dbraw/zinc/23/73/78/390237378.db2.gz QGXQKQDONNSDHE-UHFFFAOYSA-N 1 1 280.372 1.783 40 0 CDABMO CC(C)(C)OC(=O)N1CCC[N@@H+](Cn2ccnc2)CC1 ZINC000022115326 390237385 /nfs/dbraw/zinc/23/73/85/390237385.db2.gz QGXQKQDONNSDHE-UHFFFAOYSA-N 1 1 280.372 1.783 40 0 CDABMO C[C@H]1C[C@@H](OC[C@H](O)CN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000022588908 390239178 /nfs/dbraw/zinc/23/91/78/390239178.db2.gz YVAWMZJIRZQCSS-ARFHVFGLSA-N 1 1 298.471 1.826 40 0 CDABMO Cc1nc(N2CCOCC2)ccc1[C@H]1CCC[N@@H+]1C ZINC000072219611 390623309 /nfs/dbraw/zinc/62/33/09/390623309.db2.gz RRSZUXVQZFJHMW-CQSZACIVSA-N 1 1 261.369 1.993 40 0 CDABMO COC[C@@H](O)C[N@H+]1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000096421808 391189668 /nfs/dbraw/zinc/18/96/68/391189668.db2.gz CEZFHQKVRBAQLO-DRZSPHRISA-N 1 1 255.383 1.933 40 0 CDABMO c1nc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c[nH]1 ZINC000096076138 398070368 /nfs/dbraw/zinc/07/03/68/398070368.db2.gz WXWXQIXRYBOLJK-AWEZNQCLSA-N 1 1 270.340 1.055 40 0 CDABMO c1nc(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)c[nH]1 ZINC000096076138 398070370 /nfs/dbraw/zinc/07/03/70/398070370.db2.gz WXWXQIXRYBOLJK-AWEZNQCLSA-N 1 1 270.340 1.055 40 0 CDABMO COC[C@@H]1CN(C(=O)Cc2ccccc2)CC[N@@H+](C)C1 ZINC000072343696 176372241 /nfs/dbraw/zinc/37/22/41/176372241.db2.gz NHAOVMQJKVIVBN-HNNXBMFYSA-N 1 1 276.380 1.266 40 0 CDABMO OCC[N@H+]1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360935 176376849 /nfs/dbraw/zinc/37/68/49/176376849.db2.gz ZEZYWSFBYKUCPO-ZDUSSCGKSA-N 1 1 299.378 1.787 40 0 CDABMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000072367995 176382377 /nfs/dbraw/zinc/38/23/77/176382377.db2.gz OLFSAZVBMYOZHI-CYBMUJFWSA-N 1 1 264.373 1.158 40 0 CDABMO Cn1ccnc1[C@]1(O)CCC[N@@H+](Cc2ccncc2)CC1 ZINC000072369579 176384079 /nfs/dbraw/zinc/38/40/79/176384079.db2.gz RMIDSUKFMJRSGB-INIZCTEOSA-N 1 1 286.379 1.689 40 0 CDABMO CNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1CCc1ccncc1 ZINC000072388616 176393554 /nfs/dbraw/zinc/39/35/54/176393554.db2.gz HEILBNZGUZIRQU-CQSZACIVSA-N 1 1 299.378 1.544 40 0 CDABMO CNC(=O)c1cn[nH]c1[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000072388616 176393556 /nfs/dbraw/zinc/39/35/56/176393556.db2.gz HEILBNZGUZIRQU-CQSZACIVSA-N 1 1 299.378 1.544 40 0 CDABMO CNC(=O)c1cn[nH]c1[C@H]1CCC[N@H+]1CCc1ccncc1 ZINC000072388616 176393557 /nfs/dbraw/zinc/39/35/57/176393557.db2.gz HEILBNZGUZIRQU-CQSZACIVSA-N 1 1 299.378 1.544 40 0 CDABMO CO[C@H]1C[N@H+](C2CCN(C)CC2)CC[C@@]12CCCO2 ZINC000257316262 277343866 /nfs/dbraw/zinc/34/38/66/277343866.db2.gz VEVSPAJAFPLURR-GJZGRUSLSA-N 1 1 268.401 1.351 40 0 CDABMO COc1ccc([C@]23CCC(=O)N2CCCC[NH2+]3)cc1 ZINC000035572425 277430875 /nfs/dbraw/zinc/43/08/75/277430875.db2.gz HMBRWTJVKPNYST-HNNXBMFYSA-N 1 1 260.337 1.854 40 0 CDABMO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC000130878423 323210733 /nfs/dbraw/zinc/21/07/33/323210733.db2.gz RSFZWUNZKVJMJV-NEPJUHHUSA-N 1 1 292.383 1.861 40 0 CDABMO COc1ccccc1-c1ncc(C[N@H+]2CC[C@H](O)C2)cn1 ZINC000430018066 536972000 /nfs/dbraw/zinc/97/20/00/536972000.db2.gz BJAFEMSDXTVWLU-ZDUSSCGKSA-N 1 1 285.347 1.719 40 0 CDABMO c1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](CC2CC2)C3)nc1 ZINC000096048403 185073241 /nfs/dbraw/zinc/07/32/41/185073241.db2.gz DGERXOLUBVBWDX-HOCLYGCPSA-N 1 1 288.395 1.922 40 0 CDABMO c1cncc(CO[C@@H]2C[C@H]3C[N@@H+](CC4CC4)CCN3C2)c1 ZINC000096055049 185075597 /nfs/dbraw/zinc/07/55/97/185075597.db2.gz YRLXUVSHVKUPFH-DLBZAZTESA-N 1 1 287.407 1.767 40 0 CDABMO c1cncc(CO[C@@H]2C[C@H]3CN(CC4CC4)CC[N@@H+]3C2)c1 ZINC000096055049 185075600 /nfs/dbraw/zinc/07/56/00/185075600.db2.gz YRLXUVSHVKUPFH-DLBZAZTESA-N 1 1 287.407 1.767 40 0 CDABMO c1cncc(CO[C@@H]2C[C@H]3CN(CC4CC4)CC[N@H+]3C2)c1 ZINC000096055049 185075602 /nfs/dbraw/zinc/07/56/02/185075602.db2.gz YRLXUVSHVKUPFH-DLBZAZTESA-N 1 1 287.407 1.767 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2cccnc2)[C@H]1Cc1ccncc1 ZINC000096061652 185082879 /nfs/dbraw/zinc/08/28/79/185082879.db2.gz LKYGNOPGGRWKRL-HOTGVXAUSA-N 1 1 269.348 1.655 40 0 CDABMO CC[N@H+]1CC[C@H]2C[C@H](C(=O)NCC3CCOCC3)O[C@@H]2C1 ZINC000096066100 185084731 /nfs/dbraw/zinc/08/47/31/185084731.db2.gz SVZMIOXENYKSNV-RRFJBIMHSA-N 1 1 296.411 1.029 40 0 CDABMO Cn1cc(CN2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)cn1 ZINC000096070824 185086931 /nfs/dbraw/zinc/08/69/31/185086931.db2.gz UJAMHDPVPXTRGK-UHFFFAOYSA-N 1 1 297.406 1.523 40 0 CDABMO COc1ncccc1C[N@H+]1CCc2ncnc(C)c2CC1 ZINC000096083919 185091960 /nfs/dbraw/zinc/09/19/60/185091960.db2.gz HFYYQTRHBCNQMZ-UHFFFAOYSA-N 1 1 284.363 1.789 40 0 CDABMO C[N@H+]1C[C@H]2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)[C@@H](C1)O2 ZINC000096100687 185098306 /nfs/dbraw/zinc/09/83/06/185098306.db2.gz SWAMBCKXIYUQGG-UHIISALHSA-N 1 1 290.319 1.073 40 0 CDABMO COC[C@]12COC[C@H]1C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096108623 185099463 /nfs/dbraw/zinc/09/94/63/185099463.db2.gz ZVDVQERGMIZXGZ-CZUORRHYSA-N 1 1 291.347 1.510 40 0 CDABMO CNc1ncc(C[NH2+]Cc2nc3ccccc3[nH]2)cn1 ZINC000062718411 342163199 /nfs/dbraw/zinc/16/31/99/342163199.db2.gz MLDSMDKGAFYVKI-UHFFFAOYSA-N 1 1 268.324 1.684 40 0 CDABMO COCC[N@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099629 342212196 /nfs/dbraw/zinc/21/21/96/342212196.db2.gz SYWURVDQSPYVEB-AWEZNQCLSA-N 1 1 295.408 1.214 40 0 CDABMO COc1ccc(F)c(C[N@@H+]2C[C@H](OC)[C@@H](CC(N)=O)C2)c1 ZINC000585277240 342256374 /nfs/dbraw/zinc/25/63/74/342256374.db2.gz HFAGMCGBPBTMKT-FZMZJTMJSA-N 1 1 296.342 1.157 40 0 CDABMO O=C(C[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1)NC1CCCCC1 ZINC000585283563 342258451 /nfs/dbraw/zinc/25/84/51/342258451.db2.gz ANTXOAMUJIBMIM-MRXNPFEDSA-N 1 1 294.395 1.607 40 0 CDABMO O=C(C[N@H+]1CCC[C@@]2(CCC(=O)O2)C1)NC1CCCCC1 ZINC000585283563 342258452 /nfs/dbraw/zinc/25/84/52/342258452.db2.gz ANTXOAMUJIBMIM-MRXNPFEDSA-N 1 1 294.395 1.607 40 0 CDABMO O[C@]1(COc2cccc(F)c2)COCC[N@H+](C2CCC2)C1 ZINC000585284278 342258671 /nfs/dbraw/zinc/25/86/71/342258671.db2.gz WNZHHISZDTVASZ-INIZCTEOSA-N 1 1 295.354 1.820 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)[C@@H]1O ZINC000585291590 342258843 /nfs/dbraw/zinc/25/88/43/342258843.db2.gz QMAWIUQBNDNSMD-MCIONIFRSA-N 1 1 287.306 1.171 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)[C@@H]1O ZINC000585291590 342258844 /nfs/dbraw/zinc/25/88/44/342258844.db2.gz QMAWIUQBNDNSMD-MCIONIFRSA-N 1 1 287.306 1.171 40 0 CDABMO CCOC(=O)[C@@H]([NH3+])Cc1ccc(OC(C)C)cc1 ZINC000025494327 362546015 /nfs/dbraw/zinc/54/60/15/362546015.db2.gz SYVGUIKVIDHWEG-ZDUSSCGKSA-N 1 1 251.326 1.907 40 0 CDABMO Cc1cccc(N2CCO[C@H](c3nccnc3N(C)C)C2)[nH+]1 ZINC000257304365 136594374 /nfs/dbraw/zinc/59/43/74/136594374.db2.gz SLHQKDMCILLUJD-ZDUSSCGKSA-N 1 1 299.378 1.824 40 0 CDABMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC000019527292 356490360 /nfs/dbraw/zinc/49/03/60/356490360.db2.gz QGTJQCGDUVDFDI-GFCCVEGCSA-N 1 1 264.373 1.333 40 0 CDABMO Cc1[nH+]ccn1[C@H](C(=O)NCC1(C)COC1)c1ccccc1 ZINC000019718825 356496924 /nfs/dbraw/zinc/49/69/24/356496924.db2.gz XKUFCCDOBOGCFY-HNNXBMFYSA-N 1 1 299.374 1.934 40 0 CDABMO CCC[N@@H+]1CC=C(c2nn3c(C)nnc3s2)CC1 ZINC000073636300 356937558 /nfs/dbraw/zinc/93/75/58/356937558.db2.gz AFRXMFJCHOUHNJ-UHFFFAOYSA-N 1 1 263.370 1.993 40 0 CDABMO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000131078283 358063794 /nfs/dbraw/zinc/06/37/94/358063794.db2.gz HWDNLMDTPAGSJG-ZIAGYGMSSA-N 1 1 299.378 1.401 40 0 CDABMO O=C([C@@H]1COC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N1CCCCO1 ZINC000096038642 358706410 /nfs/dbraw/zinc/70/64/10/358706410.db2.gz PJOSOVLSMOHMMN-RBSFLKMASA-N 1 1 294.395 1.145 40 0 CDABMO Fc1cnc(N2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)nc1 ZINC000096161483 358711010 /nfs/dbraw/zinc/71/10/10/358711010.db2.gz WTFFIZZWGRHAML-OKILXGFUSA-N 1 1 299.353 1.579 40 0 CDABMO CN(C)C(=O)C[C@@H]1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096206744 358720520 /nfs/dbraw/zinc/72/05/20/358720520.db2.gz NNDWKAJWDHAZII-MELADBBJSA-N 1 1 294.420 1.816 40 0 CDABMO CCOC[C@@H]1Cn2cncc2C[N@@H+](CC2CCOCC2)C1 ZINC000096208216 358720584 /nfs/dbraw/zinc/72/05/84/358720584.db2.gz CGIZLXXSJIZWNR-HNNXBMFYSA-N 1 1 293.411 1.778 40 0 CDABMO CC(C)[N@H+]1C[C@@H]2C[C@H](CC(=O)N3CCC3)O[C@@H]2C1 ZINC000096215810 358721339 /nfs/dbraw/zinc/72/13/39/358721339.db2.gz YUOMTYHFRFGANY-YNEHKIRRSA-N 1 1 252.358 1.107 40 0 CDABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](CCO)C[C@@H]12 ZINC000096251883 358727650 /nfs/dbraw/zinc/72/76/50/358727650.db2.gz XMCNVKJEWLXUPV-SJORKVTESA-N 1 1 288.391 1.243 40 0 CDABMO NC(=O)c1nc2c(s1)CC[N@@H+](Cc1ccccc1)CC2 ZINC000096146995 283394638 /nfs/dbraw/zinc/39/46/38/283394638.db2.gz GBVIDBXFULRYKG-UHFFFAOYSA-N 1 1 287.388 1.843 40 0 CDABMO CN1c2cccnc2C[N@@H+](Cc2ccco2)CC[C@H]1CO ZINC000225497583 374556727 /nfs/dbraw/zinc/55/67/27/374556727.db2.gz YORVVYYBVCAUTC-ZDUSSCGKSA-N 1 1 287.363 1.878 40 0 biogenic,in-vitro CDABMO CN1c2cccnc2C[N@H+](Cc2ccco2)CC[C@H]1CO ZINC000225497583 374556735 /nfs/dbraw/zinc/55/67/35/374556735.db2.gz YORVVYYBVCAUTC-ZDUSSCGKSA-N 1 1 287.363 1.878 40 0 biogenic,in-vitro CDABMO Cc1cnn(C)c1C[NH2+]Cc1ccnn1CCF ZINC000256054688 190005222 /nfs/dbraw/zinc/00/52/22/190005222.db2.gz XJGOAMZRVABKOV-UHFFFAOYSA-N 1 1 251.309 1.184 40 0 CDABMO Cn1nccc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256050826 190003373 /nfs/dbraw/zinc/00/33/73/190003373.db2.gz GQNIUOCHYHZXTG-UHFFFAOYSA-N 1 1 273.262 1.469 40 0 CDABMO Cn1ccnc1C[N@@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257211131 190012584 /nfs/dbraw/zinc/01/25/84/190012584.db2.gz BXPLFSDAZLIMSI-GFCCVEGCSA-N 1 1 259.357 1.598 40 0 CDABMO Cn1ccnc1C[N@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257211131 190012585 /nfs/dbraw/zinc/01/25/85/190012585.db2.gz BXPLFSDAZLIMSI-GFCCVEGCSA-N 1 1 259.357 1.598 40 0 CDABMO CC(C)C[N@H+]1CCC[C@H](Cc2cc(C(N)=O)ncn2)CC1 ZINC000257214527 190013185 /nfs/dbraw/zinc/01/31/85/190013185.db2.gz CMIOWPLMHKAPIC-ZDUSSCGKSA-N 1 1 290.411 1.876 40 0 CDABMO Cc1cc(N)cc([C@@H]2CN(Cc3cnccn3)CCO2)[nH+]1 ZINC000257226706 190015339 /nfs/dbraw/zinc/01/53/39/190015339.db2.gz FLUMCTUCQKLARE-HNNXBMFYSA-N 1 1 285.351 1.336 40 0 CDABMO Cc1nc([C@H]2C[N@@H+](C3CCOCC3)CCO2)cc(=O)[nH]1 ZINC000257241327 190018519 /nfs/dbraw/zinc/01/85/19/190018519.db2.gz HXQQYSHIULSKMN-CYBMUJFWSA-N 1 1 279.340 1.043 40 0 CDABMO Cc1nc([C@H]2C[N@H+](C3CCOCC3)CCO2)cc(=O)[nH]1 ZINC000257241327 190018520 /nfs/dbraw/zinc/01/85/20/190018520.db2.gz HXQQYSHIULSKMN-CYBMUJFWSA-N 1 1 279.340 1.043 40 0 CDABMO O[C@H]1CC[N@@H+](CCOc2ccccc2)C[C@@]12CCCO2 ZINC000257276694 190025800 /nfs/dbraw/zinc/02/58/00/190025800.db2.gz NUTOQIKVOYZIJA-HOTGVXAUSA-N 1 1 277.364 1.681 40 0 CDABMO Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cn1 ZINC000257286780 190026894 /nfs/dbraw/zinc/02/68/94/190026894.db2.gz PNADYFMUBWQYFA-HUUCEWRRSA-N 1 1 273.336 1.044 40 0 CDABMO Cn1cc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cn1 ZINC000257286780 190026895 /nfs/dbraw/zinc/02/68/95/190026895.db2.gz PNADYFMUBWQYFA-HUUCEWRRSA-N 1 1 273.336 1.044 40 0 CDABMO CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H](O)C[C@@H]3C2)cc1CO ZINC000257285482 190027372 /nfs/dbraw/zinc/02/73/72/190027372.db2.gz PHHXWZAJAGTCNB-FOLVSLTJSA-N 1 1 291.391 1.780 40 0 CDABMO CCN(CC)S(=O)(=O)N1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257272599 190024601 /nfs/dbraw/zinc/02/46/01/190024601.db2.gz NDAIMGOEJIWWGC-NSHDSACASA-N 1 1 286.401 1.094 40 0 CDABMO CC1(C)C[N@@H+](C[C@@H]2CNC(=O)C2)Cc2ccccc21 ZINC000660131855 412946218 /nfs/dbraw/zinc/94/62/18/412946218.db2.gz ODIADRXVZKRDMF-LBPRGKRZSA-N 1 1 258.365 1.916 40 0 CDABMO COC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096060200 285299832 /nfs/dbraw/zinc/29/98/32/285299832.db2.gz ZENHMLOKIIHUHE-ZDUSSCGKSA-N 1 1 279.384 1.392 40 0 CDABMO C[C@@H](Oc1ncc(Br)cn1)[C@@H]1CC[N@@H+](C)C1 ZINC000096515819 390532863 /nfs/dbraw/zinc/53/28/63/390532863.db2.gz ZRRRAEIZYIQRST-RKDXNWHRSA-N 1 1 286.173 1.958 40 0 CDABMO COC[C@@H]1CN(C(C)=O)CC[N@@H+](Cc2ccncc2)C1 ZINC000072343685 390627263 /nfs/dbraw/zinc/62/72/63/390627263.db2.gz ZQUABUAYIQBNIG-HNNXBMFYSA-N 1 1 277.368 1.008 40 0 CDABMO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CCOCC1 ZINC000096057812 390912317 /nfs/dbraw/zinc/91/23/17/390912317.db2.gz CPMABKYVKSYOIO-RRFJBIMHSA-N 1 1 269.385 1.681 40 0 CDABMO C/C(=C\c1ccccc1)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000180481800 533411356 /nfs/dbraw/zinc/41/13/56/533411356.db2.gz FMKSJXMCMABHKH-GLNPCMGASA-N 1 1 271.364 1.799 40 0 CDABMO C/C(=C\c1ccccc1)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000180481800 533411358 /nfs/dbraw/zinc/41/13/58/533411358.db2.gz FMKSJXMCMABHKH-GLNPCMGASA-N 1 1 271.364 1.799 40 0 CDABMO NC(=O)[C@@H](C(=O)C[NH+]1CCCCC1)c1ccccc1 ZINC000005999565 391257207 /nfs/dbraw/zinc/25/72/07/391257207.db2.gz UFBPPEOSLKITDF-CQSZACIVSA-N 1 1 260.337 1.311 40 0 CDABMO CC(C)C(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)CC[C@@H]1O ZINC000257343891 391650111 /nfs/dbraw/zinc/65/01/11/391650111.db2.gz ZUTZQHKDTLNHCV-QWRGUYRKSA-N 1 1 296.333 1.536 40 0 CDABMO COC(=O)c1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000005660651 170125043 /nfs/dbraw/zinc/12/50/43/170125043.db2.gz MUKIWOFABOYDRT-UHFFFAOYSA-N 1 1 262.309 1.508 40 0 CDABMO CC[NH+]1CCN(C(=O)CCn2ncc3ccccc32)CC1 ZINC000040757947 174396767 /nfs/dbraw/zinc/39/67/67/174396767.db2.gz VRQQUGOPYICBJR-UHFFFAOYSA-N 1 1 286.379 1.591 40 0 CDABMO CC[N@@H+](CCC(=O)NC(N)=O)Cc1ccc(OC)c(F)c1 ZINC000044892003 175273235 /nfs/dbraw/zinc/27/32/35/175273235.db2.gz RINSZMPGPHQSKJ-UHFFFAOYSA-N 1 1 297.330 1.241 40 0 CDABMO Cc1[nH+]ccn1CCCNC(=O)COc1ccccc1F ZINC000072242654 176349425 /nfs/dbraw/zinc/34/94/25/176349425.db2.gz ZQJCNSPBQMFBGL-UHFFFAOYSA-N 1 1 291.326 1.916 40 0 CDABMO O=C(NCCC[NH+]1CCOCC1)c1ncccc1Cl ZINC000072243404 176349599 /nfs/dbraw/zinc/34/95/99/176349599.db2.gz GMYMYISOGWQUGC-UHFFFAOYSA-N 1 1 283.759 1.187 40 0 CDABMO CN1CCN(C2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)CC1 ZINC000197192745 277103801 /nfs/dbraw/zinc/10/38/01/277103801.db2.gz LNKXBJRJYVFVEV-GVDBMIGSSA-N 1 1 289.467 1.910 40 0 CDABMO CC(=O)N1C[C@@H]2C[N@@H+](CC(C)C)CCN2C(C)(C)C1 ZINC000253401005 278071488 /nfs/dbraw/zinc/07/14/88/278071488.db2.gz MGVDQIYFJGIFMI-AWEZNQCLSA-N 1 1 267.417 1.269 40 0 biogenic,in-vitro CDABMO Cc1c[nH]c([C@@H]2C[N@@H+](C3CCOCC3)CCO2)n1 ZINC000257227662 280279176 /nfs/dbraw/zinc/27/91/76/280279176.db2.gz FQIHPTOHKRRPMX-LBPRGKRZSA-N 1 1 251.330 1.270 40 0 CDABMO Cc1c[nH]c([C@@H]2C[N@H+](C3CCOCC3)CCO2)n1 ZINC000257227662 280279179 /nfs/dbraw/zinc/27/91/79/280279179.db2.gz FQIHPTOHKRRPMX-LBPRGKRZSA-N 1 1 251.330 1.270 40 0 CDABMO Cc1cc(=NC(=O)N(C)C[C@H]2CCC[N@H+]2C)[nH]n1C(C)C ZINC000333477935 280293631 /nfs/dbraw/zinc/29/36/31/280293631.db2.gz FFFHIEAVBDTJOH-CYBMUJFWSA-N 1 1 293.415 1.752 40 0 CDABMO Cc1ccc([C@H]([NH3+])c2nc(Cn3cccn3)n[nH]2)cc1 ZINC000095534124 185005587 /nfs/dbraw/zinc/00/55/87/185005587.db2.gz TXDKDFXUIFOKKJ-ZDUSSCGKSA-N 1 1 268.324 1.406 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2ccco2)[C@H]1Cc1cccnc1 ZINC000096061631 185082824 /nfs/dbraw/zinc/08/28/24/185082824.db2.gz VLXBMIWDEHXYOR-GJZGRUSLSA-N 1 1 258.321 1.853 40 0 CDABMO CO[C@H]1CO[C@@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096072206 185087853 /nfs/dbraw/zinc/08/78/53/185087853.db2.gz IMFKAMGAHALLJC-PWSUYJOCSA-N 1 1 254.355 1.523 40 0 CDABMO CO[C@H]1CO[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096072206 185087855 /nfs/dbraw/zinc/08/78/55/185087855.db2.gz IMFKAMGAHALLJC-PWSUYJOCSA-N 1 1 254.355 1.523 40 0 CDABMO OCC[N@H+]1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1 ZINC000096078141 185089811 /nfs/dbraw/zinc/08/98/11/185089811.db2.gz PSOFPTOYGIEJFX-CQSZACIVSA-N 1 1 297.349 1.611 40 0 CDABMO COC[C@]12COC[C@H]1C[N@@H+](Cc1cccnc1OC)C2 ZINC000096108626 185099923 /nfs/dbraw/zinc/09/99/23/185099923.db2.gz AOTLXCGOOWTMOP-UKRRQHHQSA-N 1 1 278.352 1.185 40 0 CDABMO CC(C)[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cc[nH]cc-3n2)C1 ZINC000096112126 185101017 /nfs/dbraw/zinc/10/10/17/185101017.db2.gz KDOJPOOKYJLHND-MFKMUULPSA-N 1 1 278.331 1.905 40 0 biogenic,in-vitro CDABMO CC(C)[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cc[nH]cc-3n2)C1 ZINC000096112126 185101018 /nfs/dbraw/zinc/10/10/18/185101018.db2.gz KDOJPOOKYJLHND-MFKMUULPSA-N 1 1 278.331 1.905 40 0 biogenic,in-vitro CDABMO C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(F)ccc3[nH]2)C1 ZINC000096112222 185101041 /nfs/dbraw/zinc/10/10/41/185101041.db2.gz NWSJBUWLJDPHMU-SKDRFNHKSA-N 1 1 267.279 1.871 40 0 biogenic,in-vitro CDABMO C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(F)ccc3[nH]2)C1 ZINC000096112222 185101042 /nfs/dbraw/zinc/10/10/42/185101042.db2.gz NWSJBUWLJDPHMU-SKDRFNHKSA-N 1 1 267.279 1.871 40 0 biogenic,in-vitro CDABMO Cn1cc(CN2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC000096110640 185101586 /nfs/dbraw/zinc/10/15/86/185101586.db2.gz VYDAPYFRJOMATF-IYBDPMFKSA-N 1 1 297.406 1.379 40 0 CDABMO Cn1cc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cn1 ZINC000096110640 185101588 /nfs/dbraw/zinc/10/15/88/185101588.db2.gz VYDAPYFRJOMATF-IYBDPMFKSA-N 1 1 297.406 1.379 40 0 CDABMO Cn1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cn1 ZINC000096110640 185101590 /nfs/dbraw/zinc/10/15/90/185101590.db2.gz VYDAPYFRJOMATF-IYBDPMFKSA-N 1 1 297.406 1.379 40 0 CDABMO Cn1cnc2c1C[C@H](COc1ncccc1F)[NH2+]C2 ZINC000585094891 342211437 /nfs/dbraw/zinc/21/14/37/342211437.db2.gz SKMIGIDOGAOATI-SECBINFHSA-N 1 1 262.288 1.048 40 0 CDABMO COCc1nnc2n1CC[N@H+](Cc1ccco1)[C@@H](C)C2 ZINC000585097094 342211881 /nfs/dbraw/zinc/21/18/81/342211881.db2.gz FQQOGILJRPCNFV-NSHDSACASA-N 1 1 276.340 1.464 40 0 CDABMO Cc1ccccc1OC[C@]1(O)CC[N@H+](C2CCOCC2)C1 ZINC000585274645 342256036 /nfs/dbraw/zinc/25/60/36/342256036.db2.gz LSRIOJDADIJFNI-KRWDZBQOSA-N 1 1 291.391 1.990 40 0 CDABMO C/C=C/C=C/C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000074389916 362054669 /nfs/dbraw/zinc/05/46/69/362054669.db2.gz XPGYCBQDLBKAJA-YTXTXJHMSA-N 1 1 266.385 1.688 40 0 CDABMO CC(C)CCO[C@H]1COCC[N@H+](C2CCN(C)CC2)C1 ZINC000085436030 179062661 /nfs/dbraw/zinc/06/26/61/179062661.db2.gz FKCRLFFLLXBNCE-MRXNPFEDSA-N 1 1 284.444 1.844 40 0 biogenic,in-vitro CDABMO CC(C)CCO[C@H]1COCCN(C2CC[NH+](C)CC2)C1 ZINC000085436030 179062663 /nfs/dbraw/zinc/06/26/63/179062663.db2.gz FKCRLFFLLXBNCE-MRXNPFEDSA-N 1 1 284.444 1.844 40 0 biogenic,in-vitro CDABMO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3c2cccnc2)cn1 ZINC000106802905 186136450 /nfs/dbraw/zinc/13/64/50/186136450.db2.gz QDPYELNYEWRDNG-GJZGRUSLSA-N 1 1 297.362 1.195 40 0 CDABMO Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3c2cccnc2)cn1 ZINC000106802905 186136452 /nfs/dbraw/zinc/13/64/52/186136452.db2.gz QDPYELNYEWRDNG-GJZGRUSLSA-N 1 1 297.362 1.195 40 0 CDABMO Cc1cccc(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)N(C)C)C2)n1 ZINC000107235812 186163098 /nfs/dbraw/zinc/16/30/98/186163098.db2.gz SYWZZOGEMGYICF-GOEBONIOSA-N 1 1 273.380 1.690 40 0 CDABMO CNc1ncccc1C[N@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713235 351347988 /nfs/dbraw/zinc/34/79/88/351347988.db2.gz UBLPSJIVNWZFLP-UONOGXRCSA-N 1 1 288.395 1.756 40 0 CDABMO CCC[C@@H]1NC(=[NH2+])NC(=N)N1c1ccc(OC)cc1 ZINC000001842850 355953047 /nfs/dbraw/zinc/95/30/47/355953047.db2.gz LCDVARMXFQZGHS-LLVKDONJSA-N 1 1 261.329 1.271 40 0 CDABMO CCC[C@@H]1NC(=N)NC(=[NH2+])N1c1ccc(OC)cc1 ZINC000001842850 355953050 /nfs/dbraw/zinc/95/30/50/355953050.db2.gz LCDVARMXFQZGHS-LLVKDONJSA-N 1 1 261.329 1.271 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)CC2 ZINC000019286451 356479843 /nfs/dbraw/zinc/47/98/43/356479843.db2.gz PXDGQNGZYAJYNM-UHFFFAOYSA-N 1 1 275.377 1.741 40 0 CDABMO CCN(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404186 356989548 /nfs/dbraw/zinc/98/95/48/356989548.db2.gz ZQGIHLJCGMEUGZ-HNNXBMFYSA-N 1 1 275.396 1.458 40 0 CDABMO CCN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)CN ZINC000079404186 356989553 /nfs/dbraw/zinc/98/95/53/356989553.db2.gz ZQGIHLJCGMEUGZ-HNNXBMFYSA-N 1 1 275.396 1.458 40 0 CDABMO CC[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000019500609 358097034 /nfs/dbraw/zinc/09/70/34/358097034.db2.gz IYFBNKQTVPQRAU-CQSZACIVSA-N 1 1 292.431 1.877 40 0 CDABMO O=C1NCCO[C@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]12 ZINC000096107069 358708442 /nfs/dbraw/zinc/70/84/42/358708442.db2.gz SRPOVYUUTLEVNZ-OCCSQVGLSA-N 1 1 278.327 1.163 40 0 CDABMO c1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)nc1 ZINC000096161612 358710974 /nfs/dbraw/zinc/71/09/74/358710974.db2.gz GCSQTHWXASPCMQ-GASCZTMLSA-N 1 1 257.381 1.855 40 0 CDABMO O=C(C1CCC1)N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096161510 358710994 /nfs/dbraw/zinc/71/09/94/358710994.db2.gz RIOWZQVPUPPJKY-IYBDPMFKSA-N 1 1 285.391 1.772 40 0 CDABMO CCOC[C@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2cnn(C)c2)O1 ZINC000096186635 358715377 /nfs/dbraw/zinc/71/53/77/358715377.db2.gz NVZAXVJMILWMPO-ILXRZTDVSA-N 1 1 279.384 1.579 40 0 CDABMO C[N@H+]1CC[C@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096201913 358719488 /nfs/dbraw/zinc/71/94/88/358719488.db2.gz DSYKGZRMLUKKPP-CQSZACIVSA-N 1 1 266.410 1.902 40 0 CDABMO CO[C@@H]1CO[C@@]2(CC[N@@H+](Cc3cccc(C)n3)C2)C1 ZINC000096218359 358722227 /nfs/dbraw/zinc/72/22/27/358722227.db2.gz FRKPEGTYIDCTHY-GJZGRUSLSA-N 1 1 262.353 1.770 40 0 CDABMO C[N@H+]1CCOCC2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000096239838 358724850 /nfs/dbraw/zinc/72/48/50/358724850.db2.gz YIQGETFAURHHNS-UHFFFAOYSA-N 1 1 294.420 1.933 40 0 CDABMO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3CC2CC2)n1 ZINC000096245876 358725651 /nfs/dbraw/zinc/72/56/51/358725651.db2.gz FHEZWEVZXGPYDA-HOTGVXAUSA-N 1 1 285.391 1.975 40 0 CDABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](CCO)C[C@H]12 ZINC000096251880 358727369 /nfs/dbraw/zinc/72/73/69/358727369.db2.gz XMCNVKJEWLXUPV-IRXDYDNUSA-N 1 1 288.391 1.243 40 0 CDABMO c1nc2c(c(NC3CCC3)n1)CC[N@H+]([C@H]1CCOC1)CC2 ZINC000096255787 358728980 /nfs/dbraw/zinc/72/89/80/358728980.db2.gz DGAYMPHTZPKRTO-ZDUSSCGKSA-N 1 1 288.395 1.631 40 0 CDABMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C ZINC000075649349 283397047 /nfs/dbraw/zinc/39/70/47/283397047.db2.gz GTNJVGGWOCTEMC-AWEZNQCLSA-N 1 1 261.369 1.463 40 0 CDABMO C[NH+]1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000111769026 359261830 /nfs/dbraw/zinc/26/18/30/359261830.db2.gz YCLQFMAMQPKMDH-UHFFFAOYSA-N 1 1 297.196 1.766 40 0 CDABMO Cc1cc(C[N@H+](C)[C@@H]2CCNC2=O)cc2cccnc12 ZINC000335323563 359908759 /nfs/dbraw/zinc/90/87/59/359908759.db2.gz GWEPEMGFFUEOOQ-CQSZACIVSA-N 1 1 269.348 1.864 40 0 CDABMO C[C@H]1[C@@H](c2ccccc2)[N@@H+](C)CC[C@]12NC(=O)NC2=O ZINC000004011779 291291143 /nfs/dbraw/zinc/29/11/43/291291143.db2.gz FQTIIVLASVNVSP-WBIUFABUSA-N 1 1 273.336 1.278 40 0 CDABMO C[N@H+]1C[C@@H]2CN(Cc3nccs3)CCN2C(C)(C)C1 ZINC000253403516 373691960 /nfs/dbraw/zinc/69/19/60/373691960.db2.gz QAXCFSRDCDOOAK-GFCCVEGCSA-N 1 1 280.441 1.353 40 0 biogenic,in-vitro CDABMO CC(C)[N@H+]1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 ZINC000306127352 374968528 /nfs/dbraw/zinc/96/85/28/374968528.db2.gz FWNSFKYRCHKCIL-GFCCVEGCSA-N 1 1 298.337 1.562 40 0 CDABMO CC(C)[N@@H+]1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 ZINC000306127352 374968531 /nfs/dbraw/zinc/96/85/31/374968531.db2.gz FWNSFKYRCHKCIL-GFCCVEGCSA-N 1 1 298.337 1.562 40 0 CDABMO O=C1C[C@H]([C@@H]2CCCC[N@H+]2CCO[C@@H]2CCCCO2)CN1 ZINC000225530923 375161168 /nfs/dbraw/zinc/16/11/68/375161168.db2.gz VVZZJYWKSVYZCZ-OFQRWUPVSA-N 1 1 296.411 1.520 40 0 CDABMO Cc1nn(CCC(=O)N2CC[NH+](C)CC2)c2ccccc12 ZINC000057279391 375409436 /nfs/dbraw/zinc/40/94/36/375409436.db2.gz ALLKULZRXZUSCG-UHFFFAOYSA-N 1 1 286.379 1.509 40 0 CDABMO C[N@@H+](C[C@@H](O)c1cncc(Br)c1)C1CC1 ZINC000217527357 375663490 /nfs/dbraw/zinc/66/34/90/375663490.db2.gz QMNLGIHFPQRZGT-LLVKDONJSA-N 1 1 271.158 1.972 40 0 CDABMO Cc1nccc([C@H]2C[N@H+](CC3CCOCC3)CCO2)n1 ZINC000257216615 190014281 /nfs/dbraw/zinc/01/42/81/190014281.db2.gz CVJIEYJNWWSDKA-OAHLLOKOSA-N 1 1 277.368 1.585 40 0 CDABMO Cc1nccc([C@H]2C[N@@H+](CC3CCOCC3)CCO2)n1 ZINC000257216615 190014282 /nfs/dbraw/zinc/01/42/82/190014282.db2.gz CVJIEYJNWWSDKA-OAHLLOKOSA-N 1 1 277.368 1.585 40 0 CDABMO C[N@@H+](Cc1ccnc([C@H]2CCCO2)n1)C1CCOCC1 ZINC000257251291 190019895 /nfs/dbraw/zinc/01/98/95/190019895.db2.gz JQCZBSBOBRWAHS-CQSZACIVSA-N 1 1 277.368 1.939 40 0 CDABMO COCC[N@H+]1CCC[C@@H](c2nccnc2Cl)C1 ZINC000257263225 190022078 /nfs/dbraw/zinc/02/20/78/190022078.db2.gz LOYPOCQMISLGSV-SNVBAGLBSA-N 1 1 255.749 1.956 40 0 CDABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](CC2(O)CCOCC2)C1 ZINC000257314501 190032780 /nfs/dbraw/zinc/03/27/80/190032780.db2.gz UXGLDSBJTBZRCB-LBPRGKRZSA-N 1 1 265.357 1.049 40 0 CDABMO C[N@H+]1CCc2c(COCC(=O)N3CCCC3)cncc2C1 ZINC000096189422 256817842 /nfs/dbraw/zinc/81/78/42/256817842.db2.gz XKZBAQWNDVUPDI-UHFFFAOYSA-N 1 1 289.379 1.209 40 0 CDABMO CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccc(C)c3)C2)C1 ZINC000096225434 256828449 /nfs/dbraw/zinc/82/84/49/256828449.db2.gz LIJFEPDDYHNWHA-INIZCTEOSA-N 1 1 287.363 1.462 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@]1([NH3+])COC ZINC000252516027 392798222 /nfs/dbraw/zinc/79/82/22/392798222.db2.gz PHUVZNWYQZQNBN-JHJVBQTASA-N 1 1 287.356 1.070 40 0 CDABMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2cncnc2N)no1 ZINC000035426053 172193927 /nfs/dbraw/zinc/19/39/27/172193927.db2.gz IHUSFDPWVXRYJU-JTQLQIEISA-N 1 1 274.328 1.654 40 0 biogenic,in-vitro CDABMO CNC(=O)[C@]1(C)CCC[N@@H+](Cc2cccnc2NC)C1 ZINC000072346332 176373240 /nfs/dbraw/zinc/37/32/40/176373240.db2.gz CIZJFBZLCSFQCQ-OAHLLOKOSA-N 1 1 276.384 1.471 40 0 CDABMO NC(=O)C[N@H+]1CC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000072367887 176382612 /nfs/dbraw/zinc/38/26/12/176382612.db2.gz CJNWREWJJNPTSL-CYBMUJFWSA-N 1 1 269.348 1.585 40 0 CDABMO Cc1cn[nH]c1[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000072385603 176390357 /nfs/dbraw/zinc/39/03/57/176390357.db2.gz NTUCZJAXXRZHRA-CQSZACIVSA-N 1 1 290.411 1.766 40 0 CDABMO CCN(C(=O)CN)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404181 276061074 /nfs/dbraw/zinc/06/10/74/276061074.db2.gz SLSGVCNCZMADIW-CQSZACIVSA-N 1 1 261.369 1.068 40 0 CDABMO CCN(C(=O)CN)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404181 276061075 /nfs/dbraw/zinc/06/10/75/276061075.db2.gz SLSGVCNCZMADIW-CQSZACIVSA-N 1 1 261.369 1.068 40 0 CDABMO CC[N@H+](CC(=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393379 276087857 /nfs/dbraw/zinc/08/78/57/276087857.db2.gz AFIMQSUSIMGKTK-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO CC[NH+](CC(=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393379 276087859 /nfs/dbraw/zinc/08/78/59/276087859.db2.gz AFIMQSUSIMGKTK-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO CC[NH+](CC(=O)[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393379 276087860 /nfs/dbraw/zinc/08/78/60/276087860.db2.gz AFIMQSUSIMGKTK-OAHLLOKOSA-N 1 1 276.380 1.915 40 0 CDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000339470986 276371530 /nfs/dbraw/zinc/37/15/30/276371530.db2.gz KQWCSSHIRQMCBG-MJBXVCDLSA-N 1 1 295.427 1.282 40 0 CDABMO COC[C@H]1CN(C(C)=O)CC[N@@H+](Cc2ccncc2)C1 ZINC000072343686 277254411 /nfs/dbraw/zinc/25/44/11/277254411.db2.gz ZQUABUAYIQBNIG-OAHLLOKOSA-N 1 1 277.368 1.008 40 0 CDABMO Cc1c[nH]c([C@H]2CC[N@@H+](CC3(O)CCOCC3)C2)n1 ZINC000257276973 280279286 /nfs/dbraw/zinc/27/92/86/280279286.db2.gz NVXSEFOUSOWRAO-LBPRGKRZSA-N 1 1 265.357 1.049 40 0 CDABMO Cc1cc(=O)[nH]c2c1c(=O)[nH]n2[C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000008578869 280301655 /nfs/dbraw/zinc/30/16/55/280301655.db2.gz MVFIEUFRENOXDE-AXFHLTTASA-N 1 1 290.367 1.228 40 0 CDABMO CN(C)C(=O)[C@@H]1C[N@@H+](C)[C@H]2c3cc(F)ccc3OC[C@H]21 ZINC001772595571 1159316867 /nfs/dbraw/zinc/31/68/67/1159316867.db2.gz GTPPZYKRPORUSS-DYEKYZERSA-N 1 1 278.327 1.525 40 0 CDABMO Cn1cnc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)n1 ZINC000291525762 534803492 /nfs/dbraw/zinc/80/34/92/534803492.db2.gz PKGOITWVHHTKQG-ZDUSSCGKSA-N 1 1 297.362 1.440 40 0 CDABMO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)s1 ZINC000096055568 185076631 /nfs/dbraw/zinc/07/66/31/185076631.db2.gz WMZREQQYNDYQMX-MCIONIFRSA-N 1 1 294.420 1.877 40 0 CDABMO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@H]2C1 ZINC000096081015 185091411 /nfs/dbraw/zinc/09/14/11/185091411.db2.gz LBLBOQRMYULYFE-GASCZTMLSA-N 1 1 273.380 1.741 40 0 CDABMO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(CN(C)C)C2)cc1 ZINC000096108243 185099342 /nfs/dbraw/zinc/09/93/42/185099342.db2.gz VYHWQYDFPZAWQM-WBVHZDCISA-N 1 1 290.407 1.705 40 0 CDABMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(CN(C)C)C2)cc1 ZINC000096108243 185099345 /nfs/dbraw/zinc/09/93/45/185099345.db2.gz VYHWQYDFPZAWQM-WBVHZDCISA-N 1 1 290.407 1.705 40 0 CDABMO O=C(N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC1)C1(F)CCC1 ZINC000585108103 342213302 /nfs/dbraw/zinc/21/33/02/342213302.db2.gz BQRMXTUIYZDLFV-QWHCGFSZSA-N 1 1 266.360 1.964 40 0 CDABMO COCC[N@H+]1CC[C@]12CCCN(C(=O)c1cc(C)on1)C2 ZINC000585101825 342212380 /nfs/dbraw/zinc/21/23/80/342212380.db2.gz HSKWMNGSZZWYMQ-HNNXBMFYSA-N 1 1 293.367 1.310 40 0 CDABMO Cc1cccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c1 ZINC000585103734 342212482 /nfs/dbraw/zinc/21/24/82/342212482.db2.gz FRRIFZSIHZZOKI-KRWDZBQOSA-N 1 1 288.391 1.676 40 0 CDABMO C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)C1CC(F)(F)C1 ZINC000585102828 342212650 /nfs/dbraw/zinc/21/26/50/342212650.db2.gz JKFGEHBPFORXMK-NSHDSACASA-N 1 1 288.338 1.259 40 0 CDABMO CN(CC1(C)COC1)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000019655598 282165587 /nfs/dbraw/zinc/16/55/87/282165587.db2.gz OCLQEMIPRPJHSZ-CQSZACIVSA-N 1 1 294.370 1.923 40 0 CDABMO COC(=O)[C@@H]([NH3+])C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000044329086 347057924 /nfs/dbraw/zinc/05/79/24/347057924.db2.gz DXIPFEWXUZOSON-QWRGUYRKSA-N 1 1 286.372 1.524 40 0 CDABMO CNc1nccnc1[C@@H]1CN(c2cccc(C)[nH+]2)CCO1 ZINC000257338054 362586989 /nfs/dbraw/zinc/58/69/89/362586989.db2.gz YVPCGFSQEOSUIB-LBPRGKRZSA-N 1 1 285.351 1.800 40 0 CDABMO CNc1nccnc1[C@H]1CN(c2cccc(C)[nH+]2)CCO1 ZINC000257338053 362587053 /nfs/dbraw/zinc/58/70/53/362587053.db2.gz YVPCGFSQEOSUIB-GFCCVEGCSA-N 1 1 285.351 1.800 40 0 CDABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccncc2)N1CC1CC1 ZINC000107800100 186191098 /nfs/dbraw/zinc/19/10/98/186191098.db2.gz KOYGPXBKSNQJAG-LSDHHAIUSA-N 1 1 271.364 1.667 40 0 CDABMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391638 356988100 /nfs/dbraw/zinc/98/81/00/356988100.db2.gz FDZGWLMNRPIKMQ-CQSZACIVSA-N 1 1 278.352 1.322 40 0 CDABMO CCN(C(=O)OCc1ccccc1)[C@H]1CC[N@@H+](CCO)C1 ZINC000079411017 356994024 /nfs/dbraw/zinc/99/40/24/356994024.db2.gz KRNZIZUIDWCTMY-HNNXBMFYSA-N 1 1 292.379 1.712 40 0 CDABMO COCCNC(=O)[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000072389400 357832257 /nfs/dbraw/zinc/83/22/57/357832257.db2.gz UICCAWRGFMGAQP-ZDUSSCGKSA-N 1 1 292.383 1.072 40 0 CDABMO OC[C@H]1CC[N@@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000072398343 357832965 /nfs/dbraw/zinc/83/29/65/357832965.db2.gz OBMGYHCZXHBQOH-ZDUSSCGKSA-N 1 1 276.384 1.281 40 0 CDABMO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1 ZINC000096184382 358714128 /nfs/dbraw/zinc/71/41/28/358714128.db2.gz NSGIZQMXZANKPL-HOTGVXAUSA-N 1 1 287.407 1.423 40 0 CDABMO CCC(=O)N1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC000096197273 358716336 /nfs/dbraw/zinc/71/63/36/358716336.db2.gz IFPRLKZOHWVZQH-UHFFFAOYSA-N 1 1 276.384 1.621 40 0 CDABMO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)n1 ZINC000096200172 358717959 /nfs/dbraw/zinc/71/79/59/358717959.db2.gz AWAJNYBJOQQHLT-JKSUJKDBSA-N 1 1 286.379 1.301 40 0 CDABMO CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cncn1C)C2 ZINC000096229844 358724075 /nfs/dbraw/zinc/72/40/75/358724075.db2.gz KTTHFZACPBRBDO-INIZCTEOSA-N 1 1 290.411 1.787 40 0 CDABMO C[N@H+]1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253444 358727945 /nfs/dbraw/zinc/72/79/45/358727945.db2.gz FGAASFNDKBLSEO-HZSPNIEDSA-N 1 1 260.337 1.022 40 0 CDABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1 ZINC000096261389 358729462 /nfs/dbraw/zinc/72/94/62/358729462.db2.gz ANFZTWFGJANJQN-HLLBOEOZSA-N 1 1 283.375 1.815 40 0 CDABMO CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(OC)cc2)CC1 ZINC000042359627 358935629 /nfs/dbraw/zinc/93/56/29/358935629.db2.gz ZTJSZAQYLLDKAA-CYBMUJFWSA-N 1 1 292.379 1.627 40 0 CDABMO c1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@H]2CCOC2)nc1 ZINC000107200430 359016997 /nfs/dbraw/zinc/01/69/97/359016997.db2.gz VMJNFHWRTIRIRL-OIISXLGYSA-N 1 1 287.407 1.767 40 0 CDABMO Oc1cccc2ccc(CC[NH+]3CCOCC3)nc12 ZINC000059474697 359819526 /nfs/dbraw/zinc/81/95/26/359819526.db2.gz ZLYJGKYSCGKVSG-UHFFFAOYSA-N 1 1 258.321 1.815 40 0 CDABMO C[NH+]1CCN(C(=O)c2ccc(Br)c(N)c2)CC1 ZINC000032180037 364952296 /nfs/dbraw/zinc/95/22/96/364952296.db2.gz YEDJLYNVCLDZLH-UHFFFAOYSA-N 1 1 298.184 1.419 40 0 CDABMO CC[C@H](C)CC(=O)N1CC[NH+]([C@H](C)COC)CC1 ZINC000225630586 369301890 /nfs/dbraw/zinc/30/18/90/369301890.db2.gz CXUBJDPMHASIPR-QWHCGFSZSA-N 1 1 256.390 1.602 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)NC1CCCCC1 ZINC000049029905 373981221 /nfs/dbraw/zinc/98/12/21/373981221.db2.gz OMZXZMTZVQHNDN-UHFFFAOYSA-N 1 1 250.346 1.823 40 0 CDABMO C[N@@H+](CCCCCF)C[C@H]1CCS(=O)(=O)C1 ZINC000225466706 374466491 /nfs/dbraw/zinc/46/64/91/374466491.db2.gz LXBNTXSYHJIFMI-LLVKDONJSA-N 1 1 251.367 1.493 40 0 CDABMO Cc1cccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnn(C)c2)n1 ZINC000306138570 374969711 /nfs/dbraw/zinc/96/97/11/374969711.db2.gz SAYGZLGRSMOSSE-HZPDHXFCSA-N 1 1 297.406 1.977 40 0 CDABMO CCn1nccc1C[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256053884 190004777 /nfs/dbraw/zinc/00/47/77/190004777.db2.gz UANQNTWTSLXWOZ-UHFFFAOYSA-N 1 1 287.289 1.945 40 0 CDABMO Cc1cc(-c2cncn2C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257214308 190013448 /nfs/dbraw/zinc/01/34/48/190013448.db2.gz CLNAYNFAYVBNDI-LBPRGKRZSA-N 1 1 271.368 1.995 40 0 CDABMO CO[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@]12CCCO2 ZINC000257227825 190016231 /nfs/dbraw/zinc/01/62/31/190016231.db2.gz FRCGJARBIDIDKK-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@]12CCCO2 ZINC000257227825 190016232 /nfs/dbraw/zinc/01/62/32/190016232.db2.gz FRCGJARBIDIDKK-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO CN(C)C(=O)[C@H]1CN(C)CC[N@@H+](CCc2ccccc2)C1 ZINC000257294920 190028775 /nfs/dbraw/zinc/02/87/75/190028775.db2.gz QWHGARRKAPEOPA-INIZCTEOSA-N 1 1 289.423 1.181 40 0 CDABMO CN(C)C(=O)[C@@H]1CN(CCc2ccccc2)CC[N@H+](C)C1 ZINC000257294920 190028776 /nfs/dbraw/zinc/02/87/76/190028776.db2.gz QWHGARRKAPEOPA-INIZCTEOSA-N 1 1 289.423 1.181 40 0 CDABMO CN(C)C(=O)[C@@H]1CN(CCc2ccccc2)CC[N@@H+](C)C1 ZINC000257294920 190028777 /nfs/dbraw/zinc/02/87/77/190028777.db2.gz QWHGARRKAPEOPA-INIZCTEOSA-N 1 1 289.423 1.181 40 0 CDABMO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257332810 190035916 /nfs/dbraw/zinc/03/59/16/190035916.db2.gz XYSZBIDIVHOUOO-LBPRGKRZSA-N 1 1 257.341 1.806 40 0 CDABMO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257332810 190035917 /nfs/dbraw/zinc/03/59/17/190035917.db2.gz XYSZBIDIVHOUOO-LBPRGKRZSA-N 1 1 257.341 1.806 40 0 CDABMO O[C@@]1(c2ccccc2)c2ccccc2NC2=[NH+]CCN21 ZINC000001581933 285346629 /nfs/dbraw/zinc/34/66/29/285346629.db2.gz FBGWKMHLBSARIC-INIZCTEOSA-N 1 1 265.316 1.786 40 0 in-vitro CDABMO CCS(=O)(=O)[C@@H](CO)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000096525180 390539417 /nfs/dbraw/zinc/53/94/17/390539417.db2.gz VLANXVUVEXCGFH-QWRGUYRKSA-N 1 1 277.773 1.135 40 0 CDABMO c1nc2c(c([C@@H]3CCOC3)n1)CC[N@@H+](CC1CC1)CC2 ZINC000096058681 390912356 /nfs/dbraw/zinc/91/23/56/390912356.db2.gz FDAXZDOFNSLEFE-CYBMUJFWSA-N 1 1 273.380 1.791 40 0 CDABMO Cn1cc(C[N@@H+](C)[C@@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257246596 397607352 /nfs/dbraw/zinc/60/73/52/397607352.db2.gz IUVGRWAQAXDCHE-OAHLLOKOSA-N 1 1 285.395 1.916 40 0 CDABMO COC[C@H]1CN(C(=O)Cc2ccccc2)CC[N@@H+](C)C1 ZINC000072343695 176372193 /nfs/dbraw/zinc/37/21/93/176372193.db2.gz NHAOVMQJKVIVBN-OAHLLOKOSA-N 1 1 276.380 1.266 40 0 CDABMO CNC(=O)[C@@]1(C)CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000072346330 176372926 /nfs/dbraw/zinc/37/29/26/176372926.db2.gz YAHYBSMPIJHZQM-AWEZNQCLSA-N 1 1 264.373 1.077 40 0 CDABMO CNc1cc([C@@H]2CCCC[N@H+]2CCO)nc(C)n1 ZINC000072359939 176376816 /nfs/dbraw/zinc/37/68/16/176376816.db2.gz LKYOUQSGSKMDGD-LBPRGKRZSA-N 1 1 250.346 1.346 40 0 CDABMO Cc1cc(C(=O)NC(C)C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365637 176381132 /nfs/dbraw/zinc/38/11/32/176381132.db2.gz JKMKQTSXQCYJEQ-GFCCVEGCSA-N 1 1 276.384 1.732 40 0 CDABMO CNC(=O)[C@@]1(C)C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072379657 176386670 /nfs/dbraw/zinc/38/66/70/176386670.db2.gz KITLXENULZIDBH-QGZVFWFLSA-N 1 1 299.374 1.572 40 0 CDABMO CNC(=O)[C@@]1(C)C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072379657 176386671 /nfs/dbraw/zinc/38/66/71/176386671.db2.gz KITLXENULZIDBH-QGZVFWFLSA-N 1 1 299.374 1.572 40 0 CDABMO CC(C)(C)OC(=O)N(C[C@@H]1CCC[N@H+]1CCO)C1CC1 ZINC000079408179 277178788 /nfs/dbraw/zinc/17/87/88/277178788.db2.gz ZOGZLUGGTWQZEC-ZDUSSCGKSA-N 1 1 284.400 1.843 40 0 CDABMO COP(=O)(OC)[C@@]1(O)C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000005358890 293376633 /nfs/dbraw/zinc/37/66/33/293376633.db2.gz ANRNCSUBAGMGGV-UTLUCORTSA-N 1 1 251.263 1.521 40 0 CDABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cnco1 ZINC000257252270 295412690 /nfs/dbraw/zinc/41/26/90/295412690.db2.gz JUEKFOPSVPIXRO-GFCCVEGCSA-N 1 1 287.319 1.470 40 0 CDABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072793587 567903205 /nfs/dbraw/zinc/90/32/05/567903205.db2.gz BHQNAKIHLCMYIZ-LLVKDONJSA-N 1 1 261.325 1.066 40 0 CDABMO C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040051 185069199 /nfs/dbraw/zinc/06/91/99/185069199.db2.gz FWARSUXQPVHYOF-LSDHHAIUSA-N 1 1 262.353 1.961 40 0 CDABMO COCC[N@H+]1CC[C@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096046297 185071793 /nfs/dbraw/zinc/07/17/93/185071793.db2.gz HJKBGYFPFYHPCC-RWMBFGLXSA-N 1 1 293.367 1.745 40 0 CDABMO C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096076206 185089123 /nfs/dbraw/zinc/08/91/23/185089123.db2.gz SZWDVKXCGGBVMW-HNNXBMFYSA-N 1 1 294.420 1.933 40 0 CDABMO O=C1CCC[C@]2(CCC[N@@H+](Cc3ccncc3)C2)N1 ZINC000096076995 185089540 /nfs/dbraw/zinc/08/95/40/185089540.db2.gz IJBCBPKCTVCSFV-OAHLLOKOSA-N 1 1 259.353 1.716 40 0 CDABMO COCC[N@H+]1CC[C@@]12CCN(C(=O)C1CCCC1)C2 ZINC000096075961 185089589 /nfs/dbraw/zinc/08/95/89/185089589.db2.gz XBFRTFIFUGDROR-OAHLLOKOSA-N 1 1 266.385 1.500 40 0 CDABMO c1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)ccn1 ZINC000096108717 185099293 /nfs/dbraw/zinc/09/92/93/185099293.db2.gz CQHQEBFLUUGZQO-IAGOWNOFSA-N 1 1 288.391 1.957 40 0 CDABMO O=C(c1ccnc(F)c1)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000585108128 342213233 /nfs/dbraw/zinc/21/32/33/342213233.db2.gz SSFLZLGIZSXGPB-UONOGXRCSA-N 1 1 289.354 1.920 40 0 CDABMO C[NH+]1CC2(C1)C[C@H](CCOCC(=O)N1CCCC1)CCO2 ZINC000248023438 362145769 /nfs/dbraw/zinc/14/57/69/362145769.db2.gz KFNASYXTLXMHRV-CQSZACIVSA-N 1 1 296.411 1.126 40 0 CDABMO Cc1cccc(N2CCC[C@H](NC(=O)Cn3cccn3)C2)[nH+]1 ZINC000257340360 362586982 /nfs/dbraw/zinc/58/69/82/362586982.db2.gz ZFQXFZRCNWFDFD-AWEZNQCLSA-N 1 1 299.378 1.372 40 0 CDABMO O=C(NC1CC1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccoc2)C1 ZINC000107710924 186188358 /nfs/dbraw/zinc/18/83/58/186188358.db2.gz JBRRNMVOHULBSQ-BPLDGKMQSA-N 1 1 290.363 1.538 40 0 CDABMO CC(C)N1CCO[C@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000156170739 188246532 /nfs/dbraw/zinc/24/65/32/188246532.db2.gz SOKBCLLBRVHMEP-MRXNPFEDSA-N 1 1 281.444 1.123 40 0 CDABMO [NH3+]CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079404113 356989756 /nfs/dbraw/zinc/98/97/56/356989756.db2.gz CHSRVIMTHWTFTE-AWEZNQCLSA-N 1 1 261.369 1.116 40 0 CDABMO NCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079404113 356989762 /nfs/dbraw/zinc/98/97/62/356989762.db2.gz CHSRVIMTHWTFTE-AWEZNQCLSA-N 1 1 261.369 1.116 40 0 CDABMO CCN(C[C@H]1CCC[N@@H+](CCO)C1)C(=O)OC(C)(C)C ZINC000079408022 356990875 /nfs/dbraw/zinc/99/08/75/356990875.db2.gz PSHSWLUKFFJWGA-ZDUSSCGKSA-N 1 1 286.416 1.948 40 0 CDABMO CC[N@H+](Cc1ccccc1)C[C@@H]1CCN(CCO)C1 ZINC000079414190 356993410 /nfs/dbraw/zinc/99/34/10/356993410.db2.gz BJKGRXLGDNZUTM-INIZCTEOSA-N 1 1 262.397 1.823 40 0 CDABMO CCOC(=O)[C@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000061892899 357464129 /nfs/dbraw/zinc/46/41/29/357464129.db2.gz CKPXBRGEMOUHQJ-SNVBAGLBSA-N 1 1 253.298 1.137 40 0 CDABMO O=C(CC1CC1)N1CC2(C1)C[C@@H](CO)C[N@H+]2CC1CC1 ZINC000585093863 358098891 /nfs/dbraw/zinc/09/88/91/358098891.db2.gz LIEBSLMFXPAFBZ-CQSZACIVSA-N 1 1 278.396 1.092 40 0 CDABMO COc1cccc(CN2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096158869 358710148 /nfs/dbraw/zinc/71/01/48/358710148.db2.gz LKKYXYUAFOMDPG-UHFFFAOYSA-N 1 1 276.380 1.650 40 0 CDABMO COc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]32)cc1 ZINC000096186178 358714119 /nfs/dbraw/zinc/71/41/19/358714119.db2.gz HZHCBXPDCQUAHW-KBPBESRZSA-N 1 1 260.337 1.548 40 0 CDABMO COC[C@@H]1Cn2ncnc2C[N@@H+](CC2CCC2)C1 ZINC000096189202 358715039 /nfs/dbraw/zinc/71/50/39/358715039.db2.gz RTFAVJAAOIAEMF-LBPRGKRZSA-N 1 1 250.346 1.156 40 0 CDABMO Cc1cnc(N2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096202514 358718807 /nfs/dbraw/zinc/71/88/07/358718807.db2.gz VPCMCGIATLYJQL-UHFFFAOYSA-N 1 1 295.390 1.892 40 0 CDABMO CC(C)[N@H+]1C[C@@H]2C[C@H](CC(=O)N3CCCCO3)O[C@@H]2C1 ZINC000096219657 358722319 /nfs/dbraw/zinc/72/23/19/358722319.db2.gz MJSRLBXJNKYAIU-BFHYXJOUSA-N 1 1 282.384 1.428 40 0 CDABMO Cc1ccc(C[N@@H+]2C[C@H]3OCC(=O)N(CC(C)C)[C@@H]3C2)o1 ZINC000096246286 358725462 /nfs/dbraw/zinc/72/54/62/358725462.db2.gz OLCKRLGPPMPUSY-HUUCEWRRSA-N 1 1 292.379 1.656 40 0 CDABMO Cc1ccc(C[N@H+]2C[C@H]3OCC(=O)N(CC(C)C)[C@@H]3C2)o1 ZINC000096246286 358725465 /nfs/dbraw/zinc/72/54/65/358725465.db2.gz OLCKRLGPPMPUSY-HUUCEWRRSA-N 1 1 292.379 1.656 40 0 CDABMO Cc1ncnc2c1CC[N@@H+](Cc1nccn1C)CC2 ZINC000096254945 358728095 /nfs/dbraw/zinc/72/80/95/358728095.db2.gz UWLYSJSBKULHGD-UHFFFAOYSA-N 1 1 257.341 1.119 40 0 CDABMO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CC(F)(F)C1 ZINC000238161856 360248114 /nfs/dbraw/zinc/24/81/14/360248114.db2.gz LDNUPAGBIFGSFL-QMMMGPOBSA-N 1 1 250.289 1.756 40 0 CDABMO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@@H+](CC2CC2)C1 ZINC000015674521 360759037 /nfs/dbraw/zinc/75/90/37/360759037.db2.gz XBKVGSUPBBYILX-OLZOCXBDSA-N 1 1 286.335 1.649 40 0 biogenic,in-vitro CDABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218478298 372869446 /nfs/dbraw/zinc/86/94/46/372869446.db2.gz PKVABHMPCAGJPH-SOUVJXGZSA-N 1 1 297.420 1.630 40 0 CDABMO CCOC[C@H](O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000079355225 374796089 /nfs/dbraw/zinc/79/60/89/374796089.db2.gz WBIUPXVTPZEVTL-HIFRSBDPSA-N 1 1 265.353 1.537 40 0 CDABMO O=C1OCCN1CC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000079100098 374769801 /nfs/dbraw/zinc/76/98/01/374769801.db2.gz BNDXLTWBMAKFLR-AWEZNQCLSA-N 1 1 290.363 1.982 40 0 CDABMO CS(=O)(=O)CC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000079311558 374789945 /nfs/dbraw/zinc/78/99/45/374789945.db2.gz BWRIVPBADPVLCI-OAHLLOKOSA-N 1 1 297.420 1.403 40 0 CDABMO CS(=O)(=O)CC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000079311558 374789947 /nfs/dbraw/zinc/78/99/47/374789947.db2.gz BWRIVPBADPVLCI-OAHLLOKOSA-N 1 1 297.420 1.403 40 0 CDABMO O=c1cc(O)c2c([nH]1)C[N@@H+](Cc1ccccc1)CC2 ZINC000225740114 375193298 /nfs/dbraw/zinc/19/32/98/375193298.db2.gz KPEFYZUJMQNGLH-UHFFFAOYSA-N 1 1 256.305 1.639 40 0 CDABMO O=c1cc(O)c2c([nH]1)C[N@H+](Cc1ccccc1)CC2 ZINC000225740114 375193306 /nfs/dbraw/zinc/19/33/06/375193306.db2.gz KPEFYZUJMQNGLH-UHFFFAOYSA-N 1 1 256.305 1.639 40 0 CDABMO Cc1nn(C)cc1C[NH2+]Cc1ccnn1C(F)F ZINC000256053123 190004467 /nfs/dbraw/zinc/00/44/67/190004467.db2.gz QCTJREHCDGRSKJ-UHFFFAOYSA-N 1 1 255.272 1.610 40 0 CDABMO Cc1cc(=O)[nH]c([C@H]2C[N@H+](CC3CCC3)CCO2)n1 ZINC000257201928 190010752 /nfs/dbraw/zinc/01/07/52/190010752.db2.gz AJQQOCHHFHFGSU-GFCCVEGCSA-N 1 1 263.341 1.664 40 0 CDABMO Cc1cc(=O)[nH]c([C@H]2C[N@@H+](CC3CCC3)CCO2)n1 ZINC000257201928 190010753 /nfs/dbraw/zinc/01/07/53/190010753.db2.gz AJQQOCHHFHFGSU-GFCCVEGCSA-N 1 1 263.341 1.664 40 0 CDABMO CO[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@@]12CCCO2 ZINC000257215809 190012860 /nfs/dbraw/zinc/01/28/60/190012860.db2.gz CRTQCUJESUVJPX-GJZGRUSLSA-N 1 1 280.343 1.991 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@@]12CCCO2 ZINC000257215809 190012861 /nfs/dbraw/zinc/01/28/61/190012861.db2.gz CRTQCUJESUVJPX-GJZGRUSLSA-N 1 1 280.343 1.991 40 0 CDABMO Cc1c[nH]c([C@H]2C[N@@H+](C3CCOCC3)CCO2)n1 ZINC000257227661 190015163 /nfs/dbraw/zinc/01/51/63/190015163.db2.gz FQIHPTOHKRRPMX-GFCCVEGCSA-N 1 1 251.330 1.270 40 0 CDABMO Cc1c[nH]c([C@H]2C[N@H+](C3CCOCC3)CCO2)n1 ZINC000257227661 190015164 /nfs/dbraw/zinc/01/51/64/190015164.db2.gz FQIHPTOHKRRPMX-GFCCVEGCSA-N 1 1 251.330 1.270 40 0 CDABMO O[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@]12CCCO2 ZINC000257241188 190018763 /nfs/dbraw/zinc/01/87/63/190018763.db2.gz HWZUKVXQECKXNN-HOTGVXAUSA-N 1 1 295.354 1.820 40 0 CDABMO O=C1CCC[C@]2(C[N@@H+](CCO)C[C@H]2c2ccccc2)N1 ZINC000257249397 190020255 /nfs/dbraw/zinc/02/02/55/190020255.db2.gz JIDGPSFKKXHLJB-GOEBONIOSA-N 1 1 274.364 1.117 40 0 CDABMO CCN(CC)C(=O)c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257263383 190022738 /nfs/dbraw/zinc/02/27/38/190022738.db2.gz LPQJUEHCYBWDTB-LBPRGKRZSA-N 1 1 276.384 1.768 40 0 CDABMO Cc1ncccc1C(=O)NCc1c[nH]c([C@@H]2CC[N@H+](C)C2)n1 ZINC000257295579 190028478 /nfs/dbraw/zinc/02/84/78/190028478.db2.gz QYZQBTNOKFNFQH-GFCCVEGCSA-N 1 1 299.378 1.462 40 0 CDABMO Cc1ncccc1C(=O)NCc1cnc([C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC000257295579 190028479 /nfs/dbraw/zinc/02/84/79/190028479.db2.gz QYZQBTNOKFNFQH-GFCCVEGCSA-N 1 1 299.378 1.462 40 0 CDABMO Cc1ncccc1C(=O)NCc1cnc([C@@H]2CC[N@H+](C)C2)[nH]1 ZINC000257295579 190028480 /nfs/dbraw/zinc/02/84/80/190028480.db2.gz QYZQBTNOKFNFQH-GFCCVEGCSA-N 1 1 299.378 1.462 40 0 CDABMO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cncn3C)C2)n1 ZINC000257343799 190037828 /nfs/dbraw/zinc/03/78/28/190037828.db2.gz ZULXUHGEJHUSTJ-GFCCVEGCSA-N 1 1 259.357 1.452 40 0 CDABMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccnc1OC ZINC000039335854 377465538 /nfs/dbraw/zinc/46/55/38/377465538.db2.gz HKJIKRVMMOKAKM-NSHDSACASA-N 1 1 263.341 1.304 40 0 CDABMO Cc1nn(C)c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000002761689 378053409 /nfs/dbraw/zinc/05/34/09/378053409.db2.gz IZVRCMVOADLQRE-JTQLQIEISA-N 1 1 282.775 1.302 40 0 CDABMO CS(=O)(=O)[C@@H](CO)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096525112 390540025 /nfs/dbraw/zinc/54/00/25/390540025.db2.gz VLSBBLXMZXMBDE-UWVGGRQHSA-N 1 1 298.191 1.399 40 0 CDABMO COC[C@H]1C[N@H+](Cc2ccncc2)Cc2nn(C)cc21 ZINC000096100439 390912822 /nfs/dbraw/zinc/91/28/22/390912822.db2.gz MWCMCWCMZIGYMQ-CYBMUJFWSA-N 1 1 272.352 1.561 40 0 CDABMO COC[C@H]1C[N@@H+](Cc2ccncc2)Cc2nn(C)cc21 ZINC000096100439 390912823 /nfs/dbraw/zinc/91/28/23/390912823.db2.gz MWCMCWCMZIGYMQ-CYBMUJFWSA-N 1 1 272.352 1.561 40 0 CDABMO C[N@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306125053 392106430 /nfs/dbraw/zinc/10/64/30/392106430.db2.gz CFWOKLCLDPVUQZ-HUUCEWRRSA-N 1 1 282.347 1.394 40 0 CDABMO CC(C)NC(=O)N1CCC(C[N@H+]2CCN(C)C[C@H]2C)CC1 ZINC000085468292 397610999 /nfs/dbraw/zinc/61/09/99/397610999.db2.gz UWKAPPSLLUOJAH-CQSZACIVSA-N 1 1 296.459 1.452 40 0 CDABMO CC[NH+]1CCN(C(=O)c2cnc3ccccc3c2O)CC1 ZINC000022233977 171379970 /nfs/dbraw/zinc/37/99/70/171379970.db2.gz CFUYDQZHNSJJPJ-UHFFFAOYSA-N 1 1 285.347 1.306 40 0 CDABMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(N)c2)C1 ZINC000040620339 174354035 /nfs/dbraw/zinc/35/40/35/174354035.db2.gz PLKMLVBMVNQUJK-GFCCVEGCSA-N 1 1 261.369 1.729 40 0 CDABMO COc1ccc(C[N@@H+]2CCOC[C@H](OC)C2)cc1 ZINC000077265941 177246765 /nfs/dbraw/zinc/24/67/65/177246765.db2.gz WOZSBIIHFJILRI-CQSZACIVSA-N 1 1 251.326 1.542 40 0 biogenic,in-vitro CDABMO O[C@H]1COCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000077266069 177247346 /nfs/dbraw/zinc/24/73/46/177247346.db2.gz STPWTGSAQTXLPG-LLVKDONJSA-N 1 1 275.270 1.899 40 0 biogenic,in-vitro CDABMO O[C@H]1COCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000077266069 177247348 /nfs/dbraw/zinc/24/73/48/177247348.db2.gz STPWTGSAQTXLPG-LLVKDONJSA-N 1 1 275.270 1.899 40 0 biogenic,in-vitro CDABMO C(OC[C@]12COC[C@H]1C[N@H+](C1CCC1)C2)C1CCOCC1 ZINC000096108796 275396217 /nfs/dbraw/zinc/39/62/17/275396217.db2.gz XYKDSYQSTDCZLB-NVXWUHKLSA-N 1 1 295.423 1.931 40 0 CDABMO CN1CCN(C(=O)CC[N@@H+](C2CC2)C2CCCC2)CC1 ZINC000330033218 277088910 /nfs/dbraw/zinc/08/89/10/277088910.db2.gz XOCAXIQLCWVNRV-UHFFFAOYSA-N 1 1 279.428 1.558 40 0 CDABMO COC[C@H]1C[N@@H+](CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059823 277267284 /nfs/dbraw/zinc/26/72/84/277267284.db2.gz CYGQKBPYFZPKBT-CQSZACIVSA-N 1 1 279.384 1.392 40 0 CDABMO CO[C@H]1C[N@H+](C2CCN(C(C)=O)CC2)CC[C@@]12CCCO2 ZINC000257312190 277343829 /nfs/dbraw/zinc/34/38/29/277343829.db2.gz UMUKEEFRZZLIGM-HOTGVXAUSA-N 1 1 296.411 1.267 40 0 CDABMO C[NH+]1CCN([C@H]2c3ccccc3OC(C)(C)[C@@H]2O)CC1 ZINC000019366515 290056611 /nfs/dbraw/zinc/05/66/11/290056611.db2.gz BKTHJGILZXJQLV-LSDHHAIUSA-N 1 1 276.380 1.507 40 0 CDABMO O=S1(=O)CCC([NH2+][C@H]2CCCC2(F)F)CC1 ZINC000379458847 846501754 /nfs/dbraw/zinc/50/17/54/846501754.db2.gz QEGXWFOVQYDSIX-VIFPVBQESA-N 1 1 253.314 1.341 40 0 CDABMO Cn1cc(N2CC[C@]3(CCC[N@@H+](CC4CC4)C3)C2=O)cn1 ZINC000096048784 185073145 /nfs/dbraw/zinc/07/31/45/185073145.db2.gz BIFFUCWEONSNEB-INIZCTEOSA-N 1 1 288.395 1.649 40 0 CDABMO OCC[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 ZINC000096078140 185088927 /nfs/dbraw/zinc/08/89/27/185088927.db2.gz PSOFPTOYGIEJFX-AWEZNQCLSA-N 1 1 297.349 1.611 40 0 CDABMO Cn1cc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)cn1 ZINC000096110642 185100536 /nfs/dbraw/zinc/10/05/36/185100536.db2.gz VYDAPYFRJOMATF-HZPDHXFCSA-N 1 1 297.406 1.379 40 0 CDABMO CO[C@H]1CCC[N@H+](Cc2ncc[nH]2)[C@H]1CCC(=O)N(C)C ZINC000585275360 342256164 /nfs/dbraw/zinc/25/61/64/342256164.db2.gz DBDSTOUVGRGYNV-STQMWFEESA-N 1 1 294.399 1.258 40 0 CDABMO CO[C@H]1CCC[N@@H+](Cc2ncc[nH]2)[C@H]1CCC(=O)N(C)C ZINC000585275360 342256165 /nfs/dbraw/zinc/25/61/65/342256165.db2.gz DBDSTOUVGRGYNV-STQMWFEESA-N 1 1 294.399 1.258 40 0 CDABMO CO[C@@H]1C[N@@H+](CCC(N)=O)CC[C@@H]1Cc1ccccc1C ZINC000585276580 342256330 /nfs/dbraw/zinc/25/63/30/342256330.db2.gz BLXWANLWUAYTJQ-HZPDHXFCSA-N 1 1 290.407 1.750 40 0 CDABMO OC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1cccs1 ZINC000247938365 362139828 /nfs/dbraw/zinc/13/98/28/362139828.db2.gz OSRJYVWDXFCJGS-UHTWSYAYSA-N 1 1 253.367 1.720 40 0 CDABMO OC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1cccs1 ZINC000247938365 362139831 /nfs/dbraw/zinc/13/98/31/362139831.db2.gz OSRJYVWDXFCJGS-UHTWSYAYSA-N 1 1 253.367 1.720 40 0 CDABMO c1cc2n(n1)C[C@@H](COCC1CC1)C[N@@H+]([C@H]1CCOC1)C2 ZINC000253596989 362441546 /nfs/dbraw/zinc/44/15/46/362441546.db2.gz YVKSCWZGGJNTKH-HOCLYGCPSA-N 1 1 291.395 1.530 40 0 CDABMO Cc1cccc(N2CCC[C@@H](NC(=O)c3cnccn3)C2)[nH+]1 ZINC000257212520 362578425 /nfs/dbraw/zinc/57/84/25/362578425.db2.gz CDUYCXLPTASCEA-CYBMUJFWSA-N 1 1 297.362 1.579 40 0 CDABMO c1cc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)n[nH]1 ZINC000107785246 186189985 /nfs/dbraw/zinc/18/99/85/186189985.db2.gz UBIXTZMIMLQEPB-CABCVRRESA-N 1 1 277.368 1.570 40 0 CDABMO c1cc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)n[nH]1 ZINC000107785246 186189987 /nfs/dbraw/zinc/18/99/87/186189987.db2.gz UBIXTZMIMLQEPB-CABCVRRESA-N 1 1 277.368 1.570 40 0 CDABMO CC(C)NC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccoc2)C1 ZINC000107715217 186188167 /nfs/dbraw/zinc/18/81/67/186188167.db2.gz SLXOVHLEIWQMHG-RRFJBIMHSA-N 1 1 292.379 1.784 40 0 CDABMO CCCCOC(=O)[C@@H]([NH3+])Cc1ccc(OC)cc1 ZINC000001679151 355947117 /nfs/dbraw/zinc/94/71/17/355947117.db2.gz SIZOXWMEHDZWQV-ZDUSSCGKSA-N 1 1 251.326 1.908 40 0 CDABMO O[C@]1(c2ccccc2)c2ccccc2NC2=[NH+]CCN21 ZINC000003954598 356013945 /nfs/dbraw/zinc/01/39/45/356013945.db2.gz FBGWKMHLBSARIC-MRXNPFEDSA-N 1 1 265.316 1.786 40 0 in-vitro CDABMO CCC[NH+]1CCN(C(=O)c2n[nH]c3c2C[C@H](C)CC3)CC1 ZINC000019503400 356487930 /nfs/dbraw/zinc/48/79/30/356487930.db2.gz PZPOLWRUWNFGJN-GFCCVEGCSA-N 1 1 290.411 1.702 40 0 CDABMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)CC2 ZINC000019286449 356479332 /nfs/dbraw/zinc/47/93/32/356479332.db2.gz UCNWTIZKWXKZCU-UHFFFAOYSA-N 1 1 287.338 1.818 40 0 CDABMO O=CN1CC[NH2+]C[C@@H]1c1ccccc1Br ZINC000089212494 358051306 /nfs/dbraw/zinc/05/13/06/358051306.db2.gz YNLKPCROWLOVFK-LLVKDONJSA-N 1 1 269.142 1.552 40 0 CDABMO Cc1ccccc1C(=O)N1CC2(C1)C[C@@H](CO)C[N@@H+]2C ZINC000585093988 358099925 /nfs/dbraw/zinc/09/99/25/358099925.db2.gz WONQYENQIOPEKO-CYBMUJFWSA-N 1 1 274.364 1.134 40 0 CDABMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(F)(F)F ZINC000005480373 358703117 /nfs/dbraw/zinc/70/31/17/358703117.db2.gz GHBNKDTUGOITPV-UWVGGRQHSA-N 1 1 264.291 1.929 40 0 CDABMO COC[C@@H]1Cn2cncc2C[N@H+](Cc2c(C)noc2C)C1 ZINC000096217320 358721421 /nfs/dbraw/zinc/72/14/21/358721421.db2.gz FYSQWVBRBWIQSO-ZDUSSCGKSA-N 1 1 290.367 1.766 40 0 CDABMO COC[C@@H]1Cn2cncc2C[N@@H+](Cc2c(C)noc2C)C1 ZINC000096217320 358721424 /nfs/dbraw/zinc/72/14/24/358721424.db2.gz FYSQWVBRBWIQSO-ZDUSSCGKSA-N 1 1 290.367 1.766 40 0 CDABMO C[N@H+]1CCCC[C@]12CCCN(C(=O)c1cnccn1)C2 ZINC000096217577 358722259 /nfs/dbraw/zinc/72/22/59/358722259.db2.gz NJGQINXDKCLCIB-OAHLLOKOSA-N 1 1 274.368 1.567 40 0 CDABMO C[N@H+]1CCCCC12CCN(c1nncs1)CC2 ZINC000096217550 358722344 /nfs/dbraw/zinc/72/23/44/358722344.db2.gz LBMRYSLHKFKOAZ-UHFFFAOYSA-N 1 1 252.387 1.993 40 0 CDABMO O=C1[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2CN1Cc1ccncc1 ZINC000096245138 358724475 /nfs/dbraw/zinc/72/44/75/358724475.db2.gz ONZIIYACBFUICJ-HOTGVXAUSA-N 1 1 297.358 1.765 40 0 CDABMO Cc1ncnc2c1CC[N@@H+](Cc1ccccn1)CC2 ZINC000096254957 358727966 /nfs/dbraw/zinc/72/79/66/358727966.db2.gz JWHJSHLUPGGEOU-UHFFFAOYSA-N 1 1 254.337 1.781 40 0 CDABMO CCOCc1nnn2c1C[N@H+](C1CCOCC1)CCC2 ZINC000096256049 358728913 /nfs/dbraw/zinc/72/89/13/358728913.db2.gz JYDPNZYVCAAHQS-UHFFFAOYSA-N 1 1 280.372 1.199 40 0 CDABMO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000514289365 360125576 /nfs/dbraw/zinc/12/55/76/360125576.db2.gz JAFDBWJFVGXHGC-HIFRSBDPSA-N 1 1 290.338 1.753 40 0 biogenic,in-vitro CDABMO O[C@@H](C[C@@H]1CCC[N@H+]1CCn1cncn1)c1ccccc1 ZINC000076106974 366981020 /nfs/dbraw/zinc/98/10/20/366981020.db2.gz WRPKONRKGMSSNK-HOTGVXAUSA-N 1 1 286.379 1.866 40 0 CDABMO Cn1nnc2c1CC[NH2+][C@@H]2COCc1ccccc1 ZINC000306136800 367315451 /nfs/dbraw/zinc/31/54/51/367315451.db2.gz QDPCAGLUNURZNL-GFCCVEGCSA-N 1 1 258.325 1.219 40 0 CDABMO C[NH+]1CCN(C(=O)NC[C@H]2Cc3ccccc3CO2)CC1 ZINC000225786707 375203965 /nfs/dbraw/zinc/20/39/65/375203965.db2.gz ZDPCMWJJOARQNS-OAHLLOKOSA-N 1 1 289.379 1.085 40 0 CDABMO N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257202757 190010537 /nfs/dbraw/zinc/01/05/37/190010537.db2.gz ANHDILNCTYARJV-KBXIAJHMSA-N 1 1 280.343 1.129 40 0 CDABMO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@H]12 ZINC000257206281 190011153 /nfs/dbraw/zinc/01/11/53/190011153.db2.gz BCRXMEQZPYUXKE-VNHYZAJKSA-N 1 1 262.353 1.472 40 0 CDABMO C[N@H+]1CCN(Cc2ccc(Cl)c(F)c2)C[C@H](C(N)=O)C1 ZINC000257224256 190015113 /nfs/dbraw/zinc/01/51/13/190015113.db2.gz FAZDPBCITXDXLM-LLVKDONJSA-N 1 1 299.777 1.328 40 0 CDABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1cnccn1 ZINC000257288377 190026919 /nfs/dbraw/zinc/02/69/19/190026919.db2.gz PTZDBBKPMIFIJC-CQSZACIVSA-N 1 1 299.378 1.989 40 0 CDABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257274500 190024940 /nfs/dbraw/zinc/02/49/40/190024940.db2.gz NLILVIFVJXUIBP-ZDUSSCGKSA-N 1 1 276.384 1.518 40 0 CDABMO COCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000063528481 378303363 /nfs/dbraw/zinc/30/33/63/378303363.db2.gz PJLZKLLSJBUEFE-OKILXGFUSA-N 1 1 289.379 1.008 40 0 CDABMO CC(C)Nc1ncnc2c1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096255540 256836882 /nfs/dbraw/zinc/83/68/82/256836882.db2.gz VOUHAGOKCXNOJP-ZDUSSCGKSA-N 1 1 290.411 1.734 40 0 CDABMO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCC[N@@H+]1C ZINC000072219610 390622980 /nfs/dbraw/zinc/62/29/80/390622980.db2.gz RRSZUXVQZFJHMW-AWEZNQCLSA-N 1 1 261.369 1.993 40 0 CDABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2Cc2ccccc2)o1 ZINC000072228139 390626751 /nfs/dbraw/zinc/62/67/51/390626751.db2.gz HZLPTKYQSRNJBZ-KBPBESRZSA-N 1 1 256.305 1.999 40 0 CDABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccco1 ZINC000072228207 390627002 /nfs/dbraw/zinc/62/70/02/390627002.db2.gz FBBAATKYZJCIJL-STQMWFEESA-N 1 1 260.268 1.830 40 0 CDABMO COc1ccc(C[C@@H]2C[N@@H+](C)CC[C@H]2O)c(OC)c1OC ZINC000252497670 392795028 /nfs/dbraw/zinc/79/50/28/392795028.db2.gz QMQMRMFUDUJKIO-CHWSQXEVSA-N 1 1 295.379 1.568 40 0 CDABMO C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000082311366 135005413 /nfs/dbraw/zinc/00/54/13/135005413.db2.gz WDSDBFRNHNVCRC-HNNXBMFYSA-N 1 1 287.407 1.677 40 0 CDABMO Cc1cncc([C@@H]2CCC[N@H+]2CC2(O)CCOCC2)n1 ZINC000257293468 397607323 /nfs/dbraw/zinc/60/73/23/397607323.db2.gz QPNRYZFYPDDEMP-AWEZNQCLSA-N 1 1 277.368 1.463 40 0 CDABMO CCN(CC)CC[NH2+][C@@H](C)C(=O)N1CCc2ccccc21 ZINC000022586267 171393125 /nfs/dbraw/zinc/39/31/25/171393125.db2.gz GENAEMYXVFBVFV-AWEZNQCLSA-N 1 1 289.423 1.896 40 0 CDABMO Cc1[nH]c2ccc(F)cc2c(=O)c1CN1CC[NH+](C)CC1 ZINC000022799191 171399310 /nfs/dbraw/zinc/39/93/10/171399310.db2.gz WRMPFLITUCSYLL-UHFFFAOYSA-N 1 1 289.354 1.723 40 0 CDABMO CC[NH+]1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000046465723 175396589 /nfs/dbraw/zinc/39/65/89/175396589.db2.gz LZOPNUNDNATYAN-UHFFFAOYSA-N 1 1 250.317 1.532 40 0 CDABMO Cc1nccn1-c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072355463 176374962 /nfs/dbraw/zinc/37/49/62/176374962.db2.gz JLIAPWSQPCKOQI-GFCCVEGCSA-N 1 1 257.341 1.780 40 0 CDABMO Cc1nccc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072355931 176375838 /nfs/dbraw/zinc/37/58/38/176375838.db2.gz CLTRFPPICHZAQN-CQSZACIVSA-N 1 1 271.368 1.898 40 0 CDABMO NC(=O)C[N@H+]1CC[C@H](Cc2cncc3ccccc32)C1 ZINC000072367885 176382570 /nfs/dbraw/zinc/38/25/70/176382570.db2.gz WAPRTCGVYUQJCB-GFCCVEGCSA-N 1 1 269.348 1.585 40 0 CDABMO CNC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000072380924 176387395 /nfs/dbraw/zinc/38/73/95/176387395.db2.gz HNWSKEJEOFJSGO-CYBMUJFWSA-N 1 1 276.384 1.073 40 0 CDABMO CNC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000072380924 176387396 /nfs/dbraw/zinc/38/73/96/176387396.db2.gz HNWSKEJEOFJSGO-CYBMUJFWSA-N 1 1 276.384 1.073 40 0 CDABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccsc1 ZINC000072397588 176395220 /nfs/dbraw/zinc/39/52/20/176395220.db2.gz IWGCWUJJYLIYCP-CYZMBNFOSA-N 1 1 252.383 1.387 40 0 CDABMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]21 ZINC000096058273 277245055 /nfs/dbraw/zinc/24/50/55/277245055.db2.gz SYCDLHNBIGAPRL-HZSPNIEDSA-N 1 1 278.352 1.253 40 0 CDABMO C[C@@H]1OC(=O)[C@@H]2[C@@H]1[N@H+]1CCc3ccccc3[C@@H]1C[C@H]2O ZINC000020111861 279038984 /nfs/dbraw/zinc/03/89/84/279038984.db2.gz MPEJFJFZVUSBET-FRDLFTECSA-N 1 1 273.332 1.281 40 0 CDABMO Cn1cc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)cn1 ZINC000096049936 279336074 /nfs/dbraw/zinc/33/60/74/279336074.db2.gz XNGSTYWOWPDLJA-AWEZNQCLSA-N 1 1 262.357 1.055 40 0 CDABMO COCc1cc(N(C)C[C@H]2CCC[N@H+]2C)ncn1 ZINC000562927250 293217919 /nfs/dbraw/zinc/21/79/19/293217919.db2.gz KISZIGCWDVZGRQ-GFCCVEGCSA-N 1 1 250.346 1.153 40 0 CDABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)N(C)C)C2)C1 ZINC000096049620 185073867 /nfs/dbraw/zinc/07/38/67/185073867.db2.gz OJDATRLHGICDDT-AWEZNQCLSA-N 1 1 269.389 1.102 40 0 CDABMO CCOC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2cnn(C)c21 ZINC000096060057 185080235 /nfs/dbraw/zinc/08/02/35/185080235.db2.gz BZQUHSGHHCZNIF-CQSZACIVSA-N 1 1 289.383 1.290 40 0 CDABMO CCOC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2cnn(C)c21 ZINC000096060057 185080236 /nfs/dbraw/zinc/08/02/36/185080236.db2.gz BZQUHSGHHCZNIF-CQSZACIVSA-N 1 1 289.383 1.290 40 0 CDABMO O=C([C@H]1C[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O1)N1CCCO1 ZINC000096066175 185084128 /nfs/dbraw/zinc/08/41/28/185084128.db2.gz OBCQFMXIMIHUKC-BFHYXJOUSA-N 1 1 280.368 1.040 40 0 CDABMO Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cnn(C)c2)n1 ZINC000096063974 185084390 /nfs/dbraw/zinc/08/43/90/185084390.db2.gz SAYGZLGRSMOSSE-CVEARBPZSA-N 1 1 297.406 1.977 40 0 CDABMO COCc1nnc2n1CC[N@H+](C1CCCC1)[C@H]2C ZINC000585097868 342211551 /nfs/dbraw/zinc/21/15/51/342211551.db2.gz SJIQDWSIVBSPGW-JTQLQIEISA-N 1 1 250.346 1.744 40 0 CDABMO COCc1nnc2n1CC[N@@H+](C1CCCC1)[C@H]2C ZINC000585097868 342211552 /nfs/dbraw/zinc/21/15/52/342211552.db2.gz SJIQDWSIVBSPGW-JTQLQIEISA-N 1 1 250.346 1.744 40 0 CDABMO Cc1cccc(OC[C@@]2(O)CCC[N@@H+](CCC(N)=O)C2)c1 ZINC000585269052 342254383 /nfs/dbraw/zinc/25/43/83/342254383.db2.gz JCJGJYSXWLOBRC-MRXNPFEDSA-N 1 1 292.379 1.076 40 0 CDABMO Cc1ccccc1OC[C@]1(O)COCC[N@H+](C)C1 ZINC000585275708 342256024 /nfs/dbraw/zinc/25/60/24/342256024.db2.gz IGFWTEXDSSBVMT-CQSZACIVSA-N 1 1 251.326 1.067 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccncc2C)[C@@H]1OC ZINC000585292118 342259016 /nfs/dbraw/zinc/25/90/16/342259016.db2.gz YAYJXHJWTDORPB-KFWWJZLASA-N 1 1 280.368 1.251 40 0 CDABMO CO[C@H]1Cn2nccc2C[N@@H+](CCc2ccccc2)C1 ZINC000247881914 362136980 /nfs/dbraw/zinc/13/69/80/362136980.db2.gz QJAVIZPYMQJTAS-MRXNPFEDSA-N 1 1 271.364 1.956 40 0 CDABMO Cc1cccc(N2CCN(c3cccnn3)CC2)[nH+]1 ZINC000153155604 136394383 /nfs/dbraw/zinc/39/43/83/136394383.db2.gz OZXGTXLTGUXVSW-UHFFFAOYSA-N 1 1 255.325 1.507 40 0 CDABMO O=C1CC2(CN1)CC[NH+](Cc1cncc(Cl)c1)CC2 ZINC000108525996 186220378 /nfs/dbraw/zinc/22/03/78/186220378.db2.gz WVOUVZDZFPEEHX-UHFFFAOYSA-N 1 1 279.771 1.837 40 0 CDABMO CNC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1cn(C)nc1C)C2 ZINC000108532689 186222484 /nfs/dbraw/zinc/22/24/84/186222484.db2.gz SACSIEUMWGEEAJ-GDBMZVCRSA-N 1 1 290.411 1.467 40 0 CDABMO CCN1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000158168954 188361599 /nfs/dbraw/zinc/36/15/99/188361599.db2.gz WMZPXJDZGQYJMN-DJIMGWMZSA-N 1 1 276.424 1.910 40 0 CDABMO CN(CCO)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079393496 356989468 /nfs/dbraw/zinc/98/94/68/356989468.db2.gz RYMBPHJMERKSMS-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO C[N@H+](CCO)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000079393496 356989470 /nfs/dbraw/zinc/98/94/70/356989470.db2.gz RYMBPHJMERKSMS-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO C[N@@H+](CCO)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000079393496 356989475 /nfs/dbraw/zinc/98/94/75/356989475.db2.gz RYMBPHJMERKSMS-INIZCTEOSA-N 1 1 262.397 1.965 40 0 CDABMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)OCc1ccccc1 ZINC000079410894 356993996 /nfs/dbraw/zinc/99/39/96/356993996.db2.gz SVWFMOORXWPNBE-HNNXBMFYSA-N 1 1 292.379 1.760 40 0 CDABMO COCC[N@@H+]1CC[C@@H]1c1cc(N2CCOCC2)nc(C)n1 ZINC000072387442 357832130 /nfs/dbraw/zinc/83/21/30/357832130.db2.gz ATMFAQKTXAOTPT-CQSZACIVSA-N 1 1 292.383 1.015 40 0 CDABMO COCC[N@H+]1CC[C@@H]1c1cc(N2CCOCC2)nc(C)n1 ZINC000072387442 357832132 /nfs/dbraw/zinc/83/21/32/357832132.db2.gz ATMFAQKTXAOTPT-CQSZACIVSA-N 1 1 292.383 1.015 40 0 CDABMO OC[C@@H]1CC[N@@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000072398344 357832918 /nfs/dbraw/zinc/83/29/18/357832918.db2.gz OBMGYHCZXHBQOH-CYBMUJFWSA-N 1 1 276.384 1.281 40 0 CDABMO C[N@H+]1CCC[C@@H](C(=O)NCCCOC2CCCC2)C1 ZINC000081305825 358122099 /nfs/dbraw/zinc/12/20/99/358122099.db2.gz JWDALPSSJDZFLD-CYBMUJFWSA-N 1 1 268.401 1.794 40 0 CDABMO C[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)[C@H](c2ccco2)C1 ZINC000072905190 358744598 /nfs/dbraw/zinc/74/45/98/358744598.db2.gz SKYXDKZJKKJLKL-NEPJUHHUSA-N 1 1 291.351 1.604 40 0 CDABMO C[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)[C@H](c2ccco2)C1 ZINC000072905190 358744600 /nfs/dbraw/zinc/74/46/00/358744600.db2.gz SKYXDKZJKKJLKL-NEPJUHHUSA-N 1 1 291.351 1.604 40 0 CDABMO CS(=O)(=O)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccs1 ZINC000096184478 358714035 /nfs/dbraw/zinc/71/40/35/358714035.db2.gz LWVZLRQOCPWCSM-NEPJUHHUSA-N 1 1 286.422 1.356 40 0 CDABMO COCCN1CC[N@H+](C2CCOCC2)Cc2cccnc21 ZINC000096198870 358717019 /nfs/dbraw/zinc/71/70/19/358717019.db2.gz BDEXGDDJKDYLJT-UHFFFAOYSA-N 1 1 291.395 1.529 40 0 CDABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)c1cocn1)CC2 ZINC000096216201 358721468 /nfs/dbraw/zinc/72/14/68/358721468.db2.gz FCVOZIYDGZSRML-LBPRGKRZSA-N 1 1 293.367 1.248 40 0 CDABMO c1cnc(N2CCO[C@H]3C[N@H+](CC4CCCC4)C[C@H]32)cn1 ZINC000096248900 358726700 /nfs/dbraw/zinc/72/67/00/358726700.db2.gz UFQHOBFHRNTULP-CABCVRRESA-N 1 1 288.395 1.556 40 0 CDABMO CC[C@@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncc(F)cn1 ZINC000096248858 358726775 /nfs/dbraw/zinc/72/67/75/358726775.db2.gz XGFKDQCTOILSOP-RTXFEEFZSA-N 1 1 280.347 1.304 40 0 CDABMO Cc1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000017135479 367026618 /nfs/dbraw/zinc/02/66/18/367026618.db2.gz WRRZGGPVQRQSAH-QLFBSQMISA-N 1 1 279.380 1.844 40 0 CDABMO Cc1cccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000017135479 367026626 /nfs/dbraw/zinc/02/66/26/367026626.db2.gz WRRZGGPVQRQSAH-QLFBSQMISA-N 1 1 279.380 1.844 40 0 CDABMO O[C@@H](COCC[C@H]1C[C@@H]2CC[C@H]1C2)C[NH+]1CCOCC1 ZINC000041690375 372949380 /nfs/dbraw/zinc/94/93/80/372949380.db2.gz ZIWGXIQGRCSITN-FXUDXRNXSA-N 1 1 283.412 1.522 40 0 CDABMO Cc1[nH+]ccn1CCCN1CC[S@](=O)[C@H](C)[C@H]1C ZINC000230173553 375532659 /nfs/dbraw/zinc/53/26/59/375532659.db2.gz HPHQQAUWKWEEQC-FMTVUPSXSA-N 1 1 269.414 1.423 40 0 CDABMO CCn1nc(C)c(C[NH2+]Cc2ccnn2C)c1F ZINC000256049695 190002747 /nfs/dbraw/zinc/00/27/47/190002747.db2.gz BACGJTAADDLSLT-UHFFFAOYSA-N 1 1 251.309 1.374 40 0 CDABMO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3c1ncnc2[nH]cnc21 ZINC000257209415 190012691 /nfs/dbraw/zinc/01/26/91/190012691.db2.gz BQHFXUXBMCXLLD-MEQWQQMJSA-N 1 1 298.394 1.852 40 0 CDABMO CO[C@H]1CC[N@H+](Cc2ccn(C)n2)C[C@@]12CCCO2 ZINC000257227664 190015784 /nfs/dbraw/zinc/01/57/84/190015784.db2.gz FQIMRNYDOOSDKE-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@@]12CCCO2 ZINC000257227664 190015785 /nfs/dbraw/zinc/01/57/85/190015785.db2.gz FQIMRNYDOOSDKE-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO CO[C@H]1C[N@H+](Cc2cc(C)on2)CC[C@@]12CCCO2 ZINC000257297254 190029838 /nfs/dbraw/zinc/02/98/38/190029838.db2.gz RGNAMHXTPWLFBR-KBPBESRZSA-N 1 1 266.341 1.753 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2cc(C)on2)CC[C@@]12CCCO2 ZINC000257297254 190029839 /nfs/dbraw/zinc/02/98/39/190029839.db2.gz RGNAMHXTPWLFBR-KBPBESRZSA-N 1 1 266.341 1.753 40 0 CDABMO CN(C)Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257302124 190030365 /nfs/dbraw/zinc/03/03/65/190030365.db2.gz SBQFOSIZFBIEFK-CYBMUJFWSA-N 1 1 288.399 1.194 40 0 CDABMO O[C@H]1CC[N@H+](Cc2cncs2)C[C@@]12CCCO2 ZINC000257319472 190033645 /nfs/dbraw/zinc/03/36/45/190033645.db2.gz VSSDADMLHRCUDI-RYUDHWBXSA-N 1 1 254.355 1.259 40 0 CDABMO O[C@H]1CC[N@@H+](Cc2cncs2)C[C@@]12CCCO2 ZINC000257319472 190033646 /nfs/dbraw/zinc/03/36/46/190033646.db2.gz VSSDADMLHRCUDI-RYUDHWBXSA-N 1 1 254.355 1.259 40 0 CDABMO CCn1nc(C)c(C[N@H+]2C[C@H](OC)[C@]3(CCCO3)C2)c1C ZINC000257334903 190036635 /nfs/dbraw/zinc/03/66/35/190036635.db2.gz YHVCAJBZWWKSIF-HOTGVXAUSA-N 1 1 293.411 1.900 40 0 CDABMO CC(=O)N[C@H]1C[C@@H](Cc2cc(C[NH+](C)C)on2)C1(C)C ZINC000067889768 377282555 /nfs/dbraw/zinc/28/25/55/377282555.db2.gz NHRILJMKIVYBOG-RISCZKNCSA-N 1 1 279.384 1.830 40 0 biogenic,in-vitro CDABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(Br)cc1 ZINC000096525992 390539526 /nfs/dbraw/zinc/53/95/26/390539526.db2.gz QJALUGOGYBCIFM-VHSXEESVSA-N 1 1 269.142 1.680 40 0 CDABMO CC(C)[N@@H+]1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 ZINC000247978901 391423960 /nfs/dbraw/zinc/42/39/60/391423960.db2.gz JBXYDJXOTDUCCO-CQSZACIVSA-N 1 1 279.384 1.186 40 0 CDABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3C)n2)cc1 ZINC000015675061 391478268 /nfs/dbraw/zinc/47/82/68/391478268.db2.gz CFLWTARATRQEBD-PWSUYJOCSA-N 1 1 275.308 1.483 40 0 biogenic,in-vitro CDABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3C)n2)cc1 ZINC000015675061 391478271 /nfs/dbraw/zinc/47/82/71/391478271.db2.gz CFLWTARATRQEBD-PWSUYJOCSA-N 1 1 275.308 1.483 40 0 biogenic,in-vitro CDABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O ZINC000252515247 392797098 /nfs/dbraw/zinc/79/70/98/392797098.db2.gz HZUADBQIHGETLA-XQQFMLRXSA-N 1 1 287.356 1.070 40 0 CDABMO CCN1CC[NH+](C[C@@H](O)CO[C@@H]2CCC[C@@H]2C)CC1 ZINC000020707529 171270095 /nfs/dbraw/zinc/27/00/95/171270095.db2.gz HOQJEEHSQKXMCX-RRFJBIMHSA-N 1 1 270.417 1.190 40 0 CDABMO Cc1ccc(C)c(OCC(=O)N2CC[NH+](C)CC2)c1 ZINC000046463087 175396606 /nfs/dbraw/zinc/39/66/06/175396606.db2.gz YFPFPVSOYICDEO-UHFFFAOYSA-N 1 1 262.353 1.456 40 0 CDABMO OCC[N@H+]1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355780 176374741 /nfs/dbraw/zinc/37/47/41/176374741.db2.gz MCXCFQXPQXTEJD-AWEZNQCLSA-N 1 1 270.336 1.668 40 0 CDABMO CC(C)C(=O)N1CCC(c2nnc3n2CC[N@H+](C)C3)CC1 ZINC000072372096 176384708 /nfs/dbraw/zinc/38/47/08/176384708.db2.gz QAFCOAPRWQMEEP-UHFFFAOYSA-N 1 1 291.399 1.086 40 0 CDABMO C[N@@H+]1CCO[C@](C)(C(=O)NCCCc2ccccc2)C1 ZINC000072379353 176386420 /nfs/dbraw/zinc/38/64/20/176386420.db2.gz NHUQXWCYSQOGNW-INIZCTEOSA-N 1 1 276.380 1.456 40 0 CDABMO C[N@H+]1CCO[C@](C)(C(=O)NCCCc2ccccc2)C1 ZINC000072379353 176386422 /nfs/dbraw/zinc/38/64/22/176386422.db2.gz NHUQXWCYSQOGNW-INIZCTEOSA-N 1 1 276.380 1.456 40 0 CDABMO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000072385825 176390479 /nfs/dbraw/zinc/39/04/79/176390479.db2.gz AFAQESASEVZTBQ-CQSZACIVSA-N 1 1 257.341 1.937 40 0 CDABMO Cn1cc(C[N@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000072385825 176390480 /nfs/dbraw/zinc/39/04/80/176390480.db2.gz AFAQESASEVZTBQ-CQSZACIVSA-N 1 1 257.341 1.937 40 0 CDABMO CSc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1 ZINC000001842834 274188225 /nfs/dbraw/zinc/18/82/25/274188225.db2.gz GYXWUBHCYWWAOK-UHFFFAOYSA-N 1 1 263.370 1.594 40 0 CDABMO CN1c2cccnc2C[N@H+](CC2CC2)CC[C@H]1CO ZINC000225496645 277219018 /nfs/dbraw/zinc/21/90/18/277219018.db2.gz CVGNINYIZYEQAG-ZDUSSCGKSA-N 1 1 261.369 1.494 40 0 biogenic,in-vitro CDABMO CC(=O)N1C[C@@H]2C[N@@H+](C(C)C)CCN2C(C)(C)C1 ZINC000253406399 278071476 /nfs/dbraw/zinc/07/14/76/278071476.db2.gz UKUFRFCLNVTVSG-ZDUSSCGKSA-N 1 1 253.390 1.022 40 0 biogenic,in-vitro CDABMO O=C([C@@H]1C[N@@H+](C2CCCC2)Cc2ccnn21)N1CCCO1 ZINC000247865968 280103115 /nfs/dbraw/zinc/10/31/15/280103115.db2.gz OQVGGCHQMCUDDI-AWEZNQCLSA-N 1 1 290.367 1.346 40 0 CDABMO O=C([C@@H]1C[N@H+](C2CCCC2)Cc2ccnn21)N1CCCO1 ZINC000247865968 280103120 /nfs/dbraw/zinc/10/31/20/280103120.db2.gz OQVGGCHQMCUDDI-AWEZNQCLSA-N 1 1 290.367 1.346 40 0 CDABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccccn2)N1c1cccnc1 ZINC000096055705 185075994 /nfs/dbraw/zinc/07/59/94/185075994.db2.gz QKFQBHWGVZQLNX-JKSUJKDBSA-N 1 1 294.358 1.856 40 0 CDABMO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccco1 ZINC000096056469 185077997 /nfs/dbraw/zinc/07/79/97/185077997.db2.gz CLGPSNYRTAVZIO-HUUCEWRRSA-N 1 1 291.395 1.407 40 0 CDABMO Cc1nc(CN2CCC3(CC2)COCC[N@@H+]3C)cs1 ZINC000096074708 185087918 /nfs/dbraw/zinc/08/79/18/185087918.db2.gz MOTYFWZVFXDBPM-UHFFFAOYSA-N 1 1 281.425 1.748 40 0 CDABMO Cn1cc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110630 185100907 /nfs/dbraw/zinc/10/09/07/185100907.db2.gz JNNFXHYLKZATFK-IRXDYDNUSA-N 1 1 297.406 1.379 40 0 CDABMO O=C(NCc1ccco1)[C@]12COC[C@H]1C[N@H+](C1CCC1)C2 ZINC000096111151 185101695 /nfs/dbraw/zinc/10/16/95/185101695.db2.gz IZJXIHVRHHNHLA-MLGOLLRUSA-N 1 1 290.363 1.397 40 0 CDABMO COCc1nnc2n1CC[N@H+](CC1=CCCOC1)[C@@H](C)C2 ZINC000585098481 342212031 /nfs/dbraw/zinc/21/20/31/342212031.db2.gz TZUDDKOHRJIXAA-LBPRGKRZSA-N 1 1 292.383 1.018 40 0 CDABMO Cc1ncc(C[N@@H+]2CCC[C@]3(CN(C)C3=O)C2)s1 ZINC000585099485 342212251 /nfs/dbraw/zinc/21/22/51/342212251.db2.gz NIDGDWCAJXAASO-ZDUSSCGKSA-N 1 1 265.382 1.506 40 0 CDABMO C[N@H+]1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102032 342212357 /nfs/dbraw/zinc/21/23/57/342212357.db2.gz OHPHCGQPDRFYPP-AWEZNQCLSA-N 1 1 292.408 1.726 40 0 CDABMO O[C@@]1(COc2ccccc2)CC[N@@H+](CC2CCOCC2)C1 ZINC000585268933 342254477 /nfs/dbraw/zinc/25/44/77/342254477.db2.gz DYXGVSSCWNKXHL-KRWDZBQOSA-N 1 1 291.391 1.929 40 0 CDABMO CNC(=O)C[C@@]1(COC)CCC[N@H+]1Cc1cccnc1 ZINC000585277706 342256388 /nfs/dbraw/zinc/25/63/88/342256388.db2.gz XEDQVLDPOWYLGN-OAHLLOKOSA-N 1 1 277.368 1.199 40 0 CDABMO CN(C)C(=O)C[C@@]1(O)COCC[N@@H+](CC2CCCCC2)C1 ZINC000585280205 342257220 /nfs/dbraw/zinc/25/72/20/342257220.db2.gz ZYWDBIZLAQUAGI-INIZCTEOSA-N 1 1 298.427 1.108 40 0 CDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)[C@@H]1O ZINC000585291646 342259026 /nfs/dbraw/zinc/25/90/26/342259026.db2.gz QZWUBKDRZKTOJJ-MCIONIFRSA-N 1 1 285.771 1.547 40 0 CDABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(CCO)C[C@@H]12 ZINC000107260337 186164132 /nfs/dbraw/zinc/16/41/32/186164132.db2.gz KTKVBRBKVDEJEQ-CVEARBPZSA-N 1 1 260.381 1.327 40 0 CDABMO CN1CC[C@@]2(c3ccccc3)CC[N@H+](CCO)C[C@@H]12 ZINC000107260337 186164133 /nfs/dbraw/zinc/16/41/33/186164133.db2.gz KTKVBRBKVDEJEQ-CVEARBPZSA-N 1 1 260.381 1.327 40 0 CDABMO CN1CC[C@@]2(c3ccccc3)CC[N@@H+](CCO)C[C@@H]12 ZINC000107260337 186164135 /nfs/dbraw/zinc/16/41/35/186164135.db2.gz KTKVBRBKVDEJEQ-CVEARBPZSA-N 1 1 260.381 1.327 40 0 CDABMO CC[NH+]1CCN(C(=O)Nc2cccc(OC)c2)CC1 ZINC000013048341 356336097 /nfs/dbraw/zinc/33/60/97/356336097.db2.gz DRGYGSRVMPDTJV-UHFFFAOYSA-N 1 1 263.341 1.865 40 0 CDABMO Cc1ccn(CCNC(=O)C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000019238131 356477836 /nfs/dbraw/zinc/47/78/36/356477836.db2.gz LFUNINWRGIDLFC-LBPRGKRZSA-N 1 1 264.373 1.040 40 0 CDABMO CN1CC[C@@H]([N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)C1=O ZINC000076075189 356954278 /nfs/dbraw/zinc/95/42/78/356954278.db2.gz NISBGRIODMBHNH-OAGGEKHMSA-N 1 1 288.391 1.805 40 0 CDABMO C[N@H+]1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000082309224 358158251 /nfs/dbraw/zinc/15/82/51/358158251.db2.gz NJGAASCOCWCGAB-OAHLLOKOSA-N 1 1 258.365 1.913 40 0 CDABMO Cn1cc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)cn1 ZINC000096058619 358707577 /nfs/dbraw/zinc/70/75/77/358707577.db2.gz HFKXSRRQZMBOFC-UHFFFAOYSA-N 1 1 283.379 1.688 40 0 CDABMO CN(C)C(=O)N[C@H]1CCO[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC000096206473 358720489 /nfs/dbraw/zinc/72/04/89/358720489.db2.gz BYPUIJOPZUZCAZ-GOEBONIOSA-N 1 1 295.427 1.681 40 0 CDABMO COc1nn(C)c2c1CCC[N@@H+](CC1CCOCC1)C2 ZINC000096254417 358728087 /nfs/dbraw/zinc/72/80/87/358728087.db2.gz QCPFULJOYPKLTP-UHFFFAOYSA-N 1 1 279.384 1.604 40 0 CDABMO CNC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc(SC)cc1 ZINC000075646554 359295271 /nfs/dbraw/zinc/29/52/71/359295271.db2.gz MYXZOTROURIMRW-AWEZNQCLSA-N 1 1 294.420 1.998 40 0 CDABMO C[NH+]1CCN(C(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000223209139 359407972 /nfs/dbraw/zinc/40/79/72/359407972.db2.gz KBSASBHHTVQDFI-UHFFFAOYSA-N 1 1 288.391 1.718 40 0 CDABMO COC(=O)[C@@]1([NH3+])CCc2c(OC)ccc(OC)c2C1 ZINC000038314306 284237608 /nfs/dbraw/zinc/23/76/08/284237608.db2.gz FJOHNAWIKHXDST-CQSZACIVSA-N 1 1 265.309 1.063 40 0 CDABMO CCc1[nH+]ccn1CCC(=O)N1CC[C@H](c2cc[nH]n2)C1 ZINC000257204405 190011675 /nfs/dbraw/zinc/01/16/75/190011675.db2.gz AUKJZGJHWVRJDH-LBPRGKRZSA-N 1 1 287.367 1.575 40 0 CDABMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257217893 190014162 /nfs/dbraw/zinc/01/41/62/190014162.db2.gz DBAJZJNMWWMIQK-VHDGCEQUSA-N 1 1 289.379 1.259 40 0 CDABMO CO[C@H]1C[N@H+](Cc2cn(C)cn2)CC[C@@]12CCCO2 ZINC000257338728 190036806 /nfs/dbraw/zinc/03/68/06/190036806.db2.gz YYSUJHXABOGSBK-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO CO[C@H]1C[N@@H+](Cc2cn(C)cn2)CC[C@@]12CCCO2 ZINC000257338728 190036807 /nfs/dbraw/zinc/03/68/07/190036807.db2.gz YYSUJHXABOGSBK-KBPBESRZSA-N 1 1 265.357 1.190 40 0 CDABMO CO[C@@H]1CC=C2CC[N@H+]3CCC4=C(CC(=O)OC4)[C@@]23C1 ZINC000053022008 376891730 /nfs/dbraw/zinc/89/17/30/376891730.db2.gz ALSKYCOJJPXPFS-CZUORRHYSA-N 1 1 275.348 1.813 40 0 in-vitro CDABMO CN(Cc1cccs1)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000041123521 379333881 /nfs/dbraw/zinc/33/38/81/379333881.db2.gz PCPNVIYFYNSKOY-CYBMUJFWSA-N 1 1 254.399 1.637 40 0 CDABMO CN1CCC[C@](O)(C[N@H+](C)Cc2cccs2)C1 ZINC000041123521 379333889 /nfs/dbraw/zinc/33/38/89/379333889.db2.gz PCPNVIYFYNSKOY-CYBMUJFWSA-N 1 1 254.399 1.637 40 0 CDABMO CN1CCC[C@](O)(C[N@@H+](C)Cc2cccs2)C1 ZINC000041123521 379333897 /nfs/dbraw/zinc/33/38/97/379333897.db2.gz PCPNVIYFYNSKOY-CYBMUJFWSA-N 1 1 254.399 1.637 40 0 CDABMO CN(C)C(=O)CN1CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1 ZINC000306134569 392106307 /nfs/dbraw/zinc/10/63/07/392106307.db2.gz NSGIZQMXZANKPL-HZPDHXFCSA-N 1 1 287.407 1.423 40 0 CDABMO CC(C)[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000020464013 171209290 /nfs/dbraw/zinc/20/92/90/171209290.db2.gz PCXLARDKYFTCIX-NEPJUHHUSA-N 1 1 274.324 1.648 40 0 biogenic,in-vitro CDABMO CC(C)[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000020464013 171209292 /nfs/dbraw/zinc/20/92/92/171209292.db2.gz PCXLARDKYFTCIX-NEPJUHHUSA-N 1 1 274.324 1.648 40 0 biogenic,in-vitro CDABMO C[N@H+](Cc1ccco1)Cc1cc(=O)n2ccccc2n1 ZINC000040466199 174275109 /nfs/dbraw/zinc/27/51/09/174275109.db2.gz XHTRCJYRFAFDSN-UHFFFAOYSA-N 1 1 269.304 1.920 40 0 CDABMO C[N@@H+](Cc1ccco1)Cc1cc(=O)n2ccccc2n1 ZINC000040466199 174275111 /nfs/dbraw/zinc/27/51/11/174275111.db2.gz XHTRCJYRFAFDSN-UHFFFAOYSA-N 1 1 269.304 1.920 40 0 CDABMO C[NH+](C)Cc1cc(NC(=O)C2CCCCC2)n[nH]1 ZINC000072258631 176351034 /nfs/dbraw/zinc/35/10/34/176351034.db2.gz PKHWMFWCBANNNK-UHFFFAOYSA-N 1 1 250.346 1.990 40 0 CDABMO COc1ccc(-c2cccc(C[C@H]3[NH2+]CCNC3=O)c2)cc1 ZINC000072352841 176374200 /nfs/dbraw/zinc/37/42/00/176374200.db2.gz XRYQZOZENAXWPR-QGZVFWFLSA-N 1 1 296.370 1.993 40 0 CDABMO CCCNC(=O)c1cc(C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072369326 176384186 /nfs/dbraw/zinc/38/41/86/176384186.db2.gz UDGWTYGZXKYUIM-LBPRGKRZSA-N 1 1 276.384 1.734 40 0 CDABMO C[N@H+]1CCC[C@@H](Cc2cncc(C(=O)NC3CC3)c2)C1 ZINC000072369336 176384243 /nfs/dbraw/zinc/38/42/43/176384243.db2.gz QEVSYBRFOFTOTN-LBPRGKRZSA-N 1 1 273.380 1.858 40 0 CDABMO C[N@H+]1CCC[C@H](Cc2cnc(C(=O)NC3CC3)cn2)C1 ZINC000072369333 176384261 /nfs/dbraw/zinc/38/42/61/176384261.db2.gz JAWQYQYPSLJCMC-LLVKDONJSA-N 1 1 274.368 1.253 40 0 CDABMO Cc1c[nH]nc1C1(C)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000072388867 176393732 /nfs/dbraw/zinc/39/37/32/176393732.db2.gz GIPNOVXATPFPOW-UHFFFAOYSA-N 1 1 259.357 1.995 40 0 CDABMO Brc1ccc2c(c1)C1(COC1)[NH2+]CC2 ZINC000237989599 275370300 /nfs/dbraw/zinc/37/03/00/275370300.db2.gz NQVWPWIKENMXGU-UHFFFAOYSA-N 1 1 254.127 1.820 40 0 CDABMO CCS(=O)(=O)N[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257222795 276506737 /nfs/dbraw/zinc/50/67/37/276506737.db2.gz DUSHGTYEQBRBAC-LBPRGKRZSA-N 1 1 283.397 1.298 40 0 CDABMO CN1CCO[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000063527695 277125706 /nfs/dbraw/zinc/12/57/06/277125706.db2.gz KBXKOPPVQNWHOL-INIZCTEOSA-N 1 1 260.381 1.983 40 0 CDABMO CCN(CC)C(=O)c1cncc([C@@H]2CCC[N@H+]2C)n1 ZINC000257312425 279086484 /nfs/dbraw/zinc/08/64/84/279086484.db2.gz UNWVAUHFDLJJJD-ZDUSSCGKSA-N 1 1 262.357 1.725 40 0 CDABMO CCN(CC)C(=O)c1cncc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257312425 279086483 /nfs/dbraw/zinc/08/64/83/279086483.db2.gz UNWVAUHFDLJJJD-ZDUSSCGKSA-N 1 1 262.357 1.725 40 0 CDABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)C[C@@H]12 ZINC000248088789 290252820 /nfs/dbraw/zinc/25/28/20/290252820.db2.gz BSRQBGMBKLMXBC-HUUCEWRRSA-N 1 1 294.420 1.294 40 0 CDABMO C[C@@H](CN1C[C@H]2C[C@@H](O)C[N@H+]2C[C@H]1C)c1ccccc1 ZINC000248179067 334296731 /nfs/dbraw/zinc/29/67/31/334296731.db2.gz XNDXTISCGFIKDH-XOSAIJSUSA-N 1 1 274.408 1.929 40 0 CDABMO C[C@@H](C[N@@H+]1C[C@H]2C[C@@H](O)CN2C[C@H]1C)c1ccccc1 ZINC000248179067 334296733 /nfs/dbraw/zinc/29/67/33/334296733.db2.gz XNDXTISCGFIKDH-XOSAIJSUSA-N 1 1 274.408 1.929 40 0 CDABMO C[C@@H](C[N@H+]1C[C@H]2C[C@@H](O)CN2C[C@H]1C)c1ccccc1 ZINC000248179067 334296734 /nfs/dbraw/zinc/29/67/34/334296734.db2.gz XNDXTISCGFIKDH-XOSAIJSUSA-N 1 1 274.408 1.929 40 0 CDABMO CCN1CC(=O)N(Cc2c[nH+]c3n2CCCC3)C1=O ZINC000925402057 712724220 /nfs/dbraw/zinc/72/42/20/712724220.db2.gz ZJBYUDBRHAAVEQ-UHFFFAOYSA-N 1 1 262.313 1.004 40 0 CDABMO CC[NH+]1CCN(Cc2ccc(C=O)cc2F)CC1 ZINC000095738666 185024273 /nfs/dbraw/zinc/02/42/73/185024273.db2.gz GQJVFBAVRWISEF-UHFFFAOYSA-N 1 1 250.317 1.776 40 0 CDABMO O=C1[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2CN1c1cncnc1 ZINC000096053648 185074651 /nfs/dbraw/zinc/07/46/51/185074651.db2.gz RDMWLIQJCHKTBK-FZMZJTMJSA-N 1 1 284.319 1.164 40 0 CDABMO O=C(CC1CC1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]2CCCO[C@H]12 ZINC000096057133 185077019 /nfs/dbraw/zinc/07/70/19/185077019.db2.gz ANQURRRVFRUTCW-UXLLHSPISA-N 1 1 292.423 1.792 40 0 CDABMO Cc1cnn(C)c1C[N@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC000585282101 342258489 /nfs/dbraw/zinc/25/84/89/342258489.db2.gz AJDVZTMUFUFLOF-AWEZNQCLSA-N 1 1 263.341 1.400 40 0 CDABMO COC[C@H]1C[N@@H+](C)CC12CCN(c1nnc(C)s1)CC2 ZINC000248124863 362152640 /nfs/dbraw/zinc/15/26/40/362152640.db2.gz LILGVSNIBNKJER-GFCCVEGCSA-N 1 1 296.440 1.641 40 0 CDABMO O=C(C[C@H]1[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]12)N1CCCC1 ZINC000107253900 186164701 /nfs/dbraw/zinc/16/47/01/186164701.db2.gz OPPPDJRURFWYAZ-MUJYYYPQSA-N 1 1 285.391 1.772 40 0 CDABMO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccco2)N1c1cncnc1 ZINC000107800223 186192028 /nfs/dbraw/zinc/19/20/28/186192028.db2.gz OHUPWUWRLUWPMV-ZIAGYGMSSA-N 1 1 284.319 1.449 40 0 CDABMO COC(=O)[C@H]1[C@@H]2CCC[N@H+]2C[C@@]12c1ccccc1NC2=O ZINC000036584755 356244481 /nfs/dbraw/zinc/24/44/81/356244481.db2.gz SACUHBGXWYEFEY-WOSRLPQWSA-N 1 1 286.331 1.144 40 0 CDABMO Cc1[nH+]ccn1CCNC(=O)c1cc(C2CC2)on1 ZINC000019288182 356480012 /nfs/dbraw/zinc/48/00/12/356480012.db2.gz WARZMCFIAXQNGQ-UHFFFAOYSA-N 1 1 260.297 1.487 40 0 CDABMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(N)c2)CC1 ZINC000041430548 357036100 /nfs/dbraw/zinc/03/61/00/357036100.db2.gz MCZZNUDIPWYNMJ-LBPRGKRZSA-N 1 1 277.368 1.200 40 0 CDABMO O=C(Cc1ccccc1Cl)NCCC[NH+]1CCOCC1 ZINC000047465835 357157672 /nfs/dbraw/zinc/15/76/72/357157672.db2.gz JVDZYMKPOPZTDO-UHFFFAOYSA-N 1 1 296.798 1.721 40 0 CDABMO COc1ccc(CC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000027931977 357276247 /nfs/dbraw/zinc/27/62/47/357276247.db2.gz RDIRRJSJANXWES-AWEZNQCLSA-N 1 1 274.364 1.544 40 0 CDABMO CCCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000057465356 357357733 /nfs/dbraw/zinc/35/77/33/357357733.db2.gz QFAOTWQSZOPEGO-UHFFFAOYSA-N 1 1 291.395 1.728 40 0 CDABMO CCOC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccn2C)O1 ZINC000096186636 358715530 /nfs/dbraw/zinc/71/55/30/358715530.db2.gz VOLVQYSETIKISE-RDBSUJKOSA-N 1 1 279.384 1.579 40 0 CDABMO CCOC[C@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccn2C)O1 ZINC000096186636 358715532 /nfs/dbraw/zinc/71/55/32/358715532.db2.gz VOLVQYSETIKISE-RDBSUJKOSA-N 1 1 279.384 1.579 40 0 CDABMO O[C@H]1CC[N@@H+](C[C@@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200366 358718022 /nfs/dbraw/zinc/71/80/22/358718022.db2.gz LZKVVOHGYNJTET-JYJNAYRXSA-N 1 1 261.365 1.701 40 0 CDABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000096248675 358726364 /nfs/dbraw/zinc/72/63/64/358726364.db2.gz DNQOIROCCFIRFG-CABCVRRESA-N 1 1 262.353 1.210 40 0 CDABMO c1cnc(NCc2n[nH]c3c2CC[N@@H+](CC2CC2)C3)nc1 ZINC000096255863 358728801 /nfs/dbraw/zinc/72/88/01/358728801.db2.gz KKBPBSYQWZIZMY-UHFFFAOYSA-N 1 1 284.367 1.580 40 0 CDABMO c1cnc(NCc2[nH]nc3c2CC[N@H+](CC2CC2)C3)nc1 ZINC000096255863 358728802 /nfs/dbraw/zinc/72/88/02/358728802.db2.gz KKBPBSYQWZIZMY-UHFFFAOYSA-N 1 1 284.367 1.580 40 0 CDABMO c1cnc(NCc2[nH]nc3c2CC[N@@H+](CC2CC2)C3)nc1 ZINC000096255863 358728805 /nfs/dbraw/zinc/72/88/05/358728805.db2.gz KKBPBSYQWZIZMY-UHFFFAOYSA-N 1 1 284.367 1.580 40 0 CDABMO CCOc1ncnc2c1CC[N@H+]([C@@H]1CCOC1)CC2 ZINC000096255624 358729069 /nfs/dbraw/zinc/72/90/69/358729069.db2.gz HYWBIHHQCXNICM-LLVKDONJSA-N 1 1 263.341 1.065 40 0 CDABMO C[N@H+]1CCC[C@@]2(CN(C(=O)C3CCCCC3)CCO2)C1 ZINC000096268589 358730878 /nfs/dbraw/zinc/73/08/78/358730878.db2.gz PQAYDGUOERBNSR-INIZCTEOSA-N 1 1 280.412 1.890 40 0 CDABMO CC(C)C[N@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C1 ZINC000514289243 360125395 /nfs/dbraw/zinc/12/53/95/360125395.db2.gz KCHOENFMINYOEQ-JKSUJKDBSA-N 1 1 293.455 1.000 40 0 biogenic,in-vitro CDABMO C[C@H]1CC[C@H](C)N1c1cc[nH+]c(N2CCOCC2)n1 ZINC000353271457 365103089 /nfs/dbraw/zinc/10/30/89/365103089.db2.gz YNJCDKBNMGAQLZ-RYUDHWBXSA-N 1 1 262.357 1.690 40 0 CDABMO CS[C@H]1CCC[C@H]1[N@@H+](C)CC(=O)NCc1cccnc1 ZINC000076146343 367003768 /nfs/dbraw/zinc/00/37/68/367003768.db2.gz DWXKTPNKHXATGG-KGLIPLIRSA-N 1 1 293.436 1.914 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@@]1([NH3+])COC ZINC000218585287 367262245 /nfs/dbraw/zinc/26/22/45/367262245.db2.gz DIKLLSFLPFJZPF-UPJWGTAASA-N 1 1 287.356 1.070 40 0 CDABMO CN1CC[N@H+](C)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306127332 374967461 /nfs/dbraw/zinc/96/74/61/374967461.db2.gz FWBADEJYUGWBLQ-OAHLLOKOSA-N 1 1 299.422 1.853 40 0 CDABMO CN1CC[N@@H+](C)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306127332 374967463 /nfs/dbraw/zinc/96/74/63/374967463.db2.gz FWBADEJYUGWBLQ-OAHLLOKOSA-N 1 1 299.422 1.853 40 0 CDABMO COC[C@H]1CC[N@@H+](C)C2(CN(C(=O)C3=CCCC3)C2)C1 ZINC000306125653 374967736 /nfs/dbraw/zinc/96/77/36/374967736.db2.gz CXAXWKHAPXZOAJ-ZDUSSCGKSA-N 1 1 278.396 1.666 40 0 CDABMO O=C(c1cccs1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000225626932 375679404 /nfs/dbraw/zinc/67/94/04/375679404.db2.gz YJDPMDJMFQQMBR-GFCCVEGCSA-N 1 1 280.393 1.419 40 0 CDABMO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257253012 190020538 /nfs/dbraw/zinc/02/05/38/190020538.db2.gz JXFZUYAFAUABJV-GFCCVEGCSA-N 1 1 259.357 1.896 40 0 CDABMO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257253012 190020539 /nfs/dbraw/zinc/02/05/39/190020539.db2.gz JXFZUYAFAUABJV-GFCCVEGCSA-N 1 1 259.357 1.896 40 0 CDABMO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257253012 190020540 /nfs/dbraw/zinc/02/05/40/190020540.db2.gz JXFZUYAFAUABJV-GFCCVEGCSA-N 1 1 259.357 1.896 40 0 CDABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000257236878 190017751 /nfs/dbraw/zinc/01/77/51/190017751.db2.gz HEDVNPXRPYOCQE-GFCCVEGCSA-N 1 1 276.384 1.734 40 0 CDABMO CO[C@H]1CC[N@H+](Cc2ncccc2F)C[C@@]12CCCO2 ZINC000257338016 190036191 /nfs/dbraw/zinc/03/61/91/190036191.db2.gz YVLRHBRSNHALDP-GJZGRUSLSA-N 1 1 280.343 1.991 40 0 CDABMO CO[C@H]1CC[N@@H+](Cc2ncccc2F)C[C@@]12CCCO2 ZINC000257338016 190036192 /nfs/dbraw/zinc/03/61/92/190036192.db2.gz YVLRHBRSNHALDP-GJZGRUSLSA-N 1 1 280.343 1.991 40 0 CDABMO COc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000063527607 378303194 /nfs/dbraw/zinc/30/31/94/378303194.db2.gz RKFJSDNYIQQSQM-BETUJISGSA-N 1 1 260.337 1.329 40 0 CDABMO O=C(NCC1CC1)[C@]12COC[C@H]1C[N@@H+](Cc1ccoc1)C2 ZINC000096206322 256823788 /nfs/dbraw/zinc/82/37/88/256823788.db2.gz UMFZVDMIBCCJDD-GDBMZVCRSA-N 1 1 290.363 1.254 40 0 CDABMO C[N@@H+]1CCOC[C@@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1 ZINC000257299074 391649899 /nfs/dbraw/zinc/64/98/99/391649899.db2.gz ROQUMOZTAGAJPI-AWEZNQCLSA-N 1 1 296.754 1.997 40 0 CDABMO C[N@H+]1CCOC[C@@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1 ZINC000257299074 391649902 /nfs/dbraw/zinc/64/99/02/391649902.db2.gz ROQUMOZTAGAJPI-AWEZNQCLSA-N 1 1 296.754 1.997 40 0 CDABMO CS[C@H]1CCC[C@H]1[N@@H+](C)CC(=O)N1CCOCC1 ZINC000076147203 392550664 /nfs/dbraw/zinc/55/06/64/392550664.db2.gz PRPJFNRITHLYGP-NEPJUHHUSA-N 1 1 272.414 1.061 40 0 CDABMO c1cncc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cccnc2)c1 ZINC000096081753 398070427 /nfs/dbraw/zinc/07/04/27/398070427.db2.gz RMQFHPVOENQGGE-SJORKVTESA-N 1 1 296.374 1.566 40 0 CDABMO c1cncc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2cccnc2)c1 ZINC000096081753 398070429 /nfs/dbraw/zinc/07/04/29/398070429.db2.gz RMQFHPVOENQGGE-SJORKVTESA-N 1 1 296.374 1.566 40 0 CDABMO CCOC(=O)C1=C(O)CC[N@H+](C2CCCCC2)C1 ZINC000005052209 170061698 /nfs/dbraw/zinc/06/16/98/170061698.db2.gz BWZZQXMAXGUYQV-GFCCVEGCSA-N 1 1 253.342 1.773 40 0 CDABMO CC[NH+](CC)CCN[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000022586302 171393447 /nfs/dbraw/zinc/39/34/47/171393447.db2.gz RWJXPEUSNOGBLG-AWEZNQCLSA-N 1 1 269.433 1.565 40 0 CDABMO OCC[N@H+]1CCC[C@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000072361628 176377426 /nfs/dbraw/zinc/37/74/26/176377426.db2.gz DINJBUVFGRUTJQ-ZDUSSCGKSA-N 1 1 299.378 1.787 40 0 CDABMO Cn1ccnc1CNc1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365426 176380693 /nfs/dbraw/zinc/38/06/93/176380693.db2.gz YILAZSLNWVJNGD-LBPRGKRZSA-N 1 1 286.383 1.631 40 0 CDABMO Cc1nc(CCC(N)=O)cc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072366369 176381172 /nfs/dbraw/zinc/38/11/72/176381172.db2.gz VVSIZUPTTOQHOA-ZDUSSCGKSA-N 1 1 290.411 1.791 40 0 CDABMO C[N@H+]1CCC[C@@H]1c1cncc(Nc2cnccn2)n1 ZINC000072376201 176385196 /nfs/dbraw/zinc/38/51/96/176385196.db2.gz AUCUMDCDVMXVHW-LLVKDONJSA-N 1 1 256.313 1.777 40 0 CDABMO CC(C)[N@@H+](CCO)Cc1ccc2c(c1)OCCO2 ZINC000079421381 177487874 /nfs/dbraw/zinc/48/78/74/177487874.db2.gz STPVDXZIZYEWGB-UHFFFAOYSA-N 1 1 251.326 1.661 40 0 CDABMO O=C1O[C@@H](c2ccc(F)cc2)C[C@H]1C[NH+]1CCOCC1 ZINC000031795402 275027340 /nfs/dbraw/zinc/02/73/40/275027340.db2.gz NVVNTNPYGSSVPP-GXTWGEPZSA-N 1 1 279.311 1.762 40 0 CDABMO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)OC)c1 ZINC000048921981 482464640 /nfs/dbraw/zinc/46/46/40/482464640.db2.gz BZHXVFJBOOAYFH-ZDUSSCGKSA-N 1 1 276.336 1.184 40 0 CDABMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)OC)c1 ZINC000048921981 482464641 /nfs/dbraw/zinc/46/46/41/482464641.db2.gz BZHXVFJBOOAYFH-ZDUSSCGKSA-N 1 1 276.336 1.184 40 0 CDABMO COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cnn(C)c2)O1 ZINC000096056377 342451593 /nfs/dbraw/zinc/45/15/93/342451593.db2.gz MNWXOHBJSBIHOU-MGPQQGTHSA-N 1 1 265.357 1.188 40 0 CDABMO COc1ccc([C@@H]([NH3+])c2nc(-c3cccnc3)n[nH]2)cc1 ZINC000095533677 185006230 /nfs/dbraw/zinc/00/62/30/185006230.db2.gz NWLLCHDWDTYWLO-CYBMUJFWSA-N 1 1 281.319 1.923 40 0 CDABMO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@@H]2CCOC2)cn1 ZINC000096184631 342557877 /nfs/dbraw/zinc/55/78/77/342557877.db2.gz WBWFCBSQCFUTSX-IMJJTQAJSA-N 1 1 290.411 1.105 40 0 CDABMO O=C(NC1CC1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042997 185069859 /nfs/dbraw/zinc/06/98/59/185069859.db2.gz QPDWXVDWPYNQBY-AEGPPILISA-N 1 1 290.363 1.538 40 0 CDABMO O=C(NC1CC1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042997 185069860 /nfs/dbraw/zinc/06/98/60/185069860.db2.gz QPDWXVDWPYNQBY-AEGPPILISA-N 1 1 290.363 1.538 40 0 CDABMO CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccccn2)C1 ZINC000096083190 185093052 /nfs/dbraw/zinc/09/30/52/185093052.db2.gz QHDKNMBQTXBXOK-NWANDNLSSA-N 1 1 289.379 1.149 40 0 CDABMO COCC[N@H+]1CCC[C@H](c2cncc(-c3cc[nH]n3)n2)C1 ZINC000585177422 342232381 /nfs/dbraw/zinc/23/23/81/342232381.db2.gz IRVCOPMRHSVGHH-LBPRGKRZSA-N 1 1 287.367 1.693 40 0 CDABMO O[C@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585279719 342257655 /nfs/dbraw/zinc/25/76/55/342257655.db2.gz XZWCNHLHLOXRRA-CJNGLKHVSA-N 1 1 289.354 1.974 40 0 CDABMO O[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585279719 342257656 /nfs/dbraw/zinc/25/76/56/342257656.db2.gz XZWCNHLHLOXRRA-CJNGLKHVSA-N 1 1 289.354 1.974 40 0 CDABMO O=C(NC1CC1)[C@H]1C[N@H+](CC2CCC2)Cc2ccnn21 ZINC000247753840 362130917 /nfs/dbraw/zinc/13/09/17/362130917.db2.gz VZROBAOFUVGRCX-CQSZACIVSA-N 1 1 274.368 1.319 40 0 CDABMO O=C(NC1CC1)[C@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000247753840 362130919 /nfs/dbraw/zinc/13/09/19/362130919.db2.gz VZROBAOFUVGRCX-CQSZACIVSA-N 1 1 274.368 1.319 40 0 CDABMO Cc1ccc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3CC2)nn1 ZINC000248053830 362146978 /nfs/dbraw/zinc/14/69/78/362146978.db2.gz RUAFSQMCKDJSHL-STQMWFEESA-N 1 1 262.357 1.084 40 0 CDABMO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)N(C)C)[C@@H](C2)O3)cc1 ZINC000248057965 362147270 /nfs/dbraw/zinc/14/72/70/362147270.db2.gz YMCAAPWYGJWSHJ-BZUAXINKSA-N 1 1 288.391 1.673 40 0 CDABMO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N(C)C)[C@@H](C2)O3)cc1 ZINC000248057965 362147273 /nfs/dbraw/zinc/14/72/73/362147273.db2.gz YMCAAPWYGJWSHJ-BZUAXINKSA-N 1 1 288.391 1.673 40 0 CDABMO CC[N@H+]1CCCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000079333118 362163317 /nfs/dbraw/zinc/16/33/17/362163317.db2.gz ZTARSYZIUBHVBV-UHFFFAOYSA-N 1 1 276.384 1.315 40 0 CDABMO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccncc2)N1CC1CC1 ZINC000107800106 186191082 /nfs/dbraw/zinc/19/10/82/186191082.db2.gz KOYGPXBKSNQJAG-HUUCEWRRSA-N 1 1 271.364 1.667 40 0 CDABMO CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000108526672 186221273 /nfs/dbraw/zinc/22/12/73/186221273.db2.gz TUKZVPBNONIPHO-GJZGRUSLSA-N 1 1 264.344 1.731 40 0 CDABMO O[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019405939 356484562 /nfs/dbraw/zinc/48/45/62/356484562.db2.gz VWYALEMORLXPFX-CQSZACIVSA-N 1 1 270.336 1.495 40 0 CDABMO CCc1ncc(C[N@H+]2CCC[C@@](C)(C(=O)NC)C2)cn1 ZINC000019745943 356499449 /nfs/dbraw/zinc/49/94/49/356499449.db2.gz UYTRBIDPWGCJIV-OAHLLOKOSA-N 1 1 276.384 1.387 40 0 CDABMO COc1ccccc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000024366947 356656111 /nfs/dbraw/zinc/65/61/11/356656111.db2.gz ANMAFUMPCJFAFF-UHFFFAOYSA-N 1 1 293.367 1.539 40 0 CDABMO CC(C)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404247 356989063 /nfs/dbraw/zinc/98/90/63/356989063.db2.gz RBWCFZVBMBVXRM-MRXNPFEDSA-N 1 1 289.423 1.704 40 0 CDABMO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CC[N@@H+](CCO)C1 ZINC000079408172 356992097 /nfs/dbraw/zinc/99/20/97/356992097.db2.gz MQNCGLNIDFGQDD-LBPRGKRZSA-N 1 1 270.373 1.453 40 0 CDABMO CN(Cc1ccccc1)C[C@H]1CCCC[N@H+]1CCO ZINC000079414138 356994133 /nfs/dbraw/zinc/99/41/33/356994133.db2.gz MLAUWXCQBWHGLM-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO C[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1CCO ZINC000079414138 356994137 /nfs/dbraw/zinc/99/41/37/356994137.db2.gz MLAUWXCQBWHGLM-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO C[N@H+](Cc1ccccc1)C[C@H]1CCCCN1CCO ZINC000079414138 356994140 /nfs/dbraw/zinc/99/41/40/356994140.db2.gz MLAUWXCQBWHGLM-MRXNPFEDSA-N 1 1 262.397 1.965 40 0 CDABMO COCC(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC000096062000 358707310 /nfs/dbraw/zinc/70/73/10/358707310.db2.gz DMNVKMAQEWZQSV-GFCCVEGCSA-N 1 1 294.399 1.273 40 0 CDABMO CC(C)C[N@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC000096187300 358715426 /nfs/dbraw/zinc/71/54/26/358715426.db2.gz RCONGLAXNRDUDW-RBSFLKMASA-N 1 1 296.411 1.818 40 0 CDABMO CO[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200148 358718251 /nfs/dbraw/zinc/71/82/51/358718251.db2.gz OPHSKPHKPVVZEQ-HRCADAONSA-N 1 1 276.380 1.750 40 0 CDABMO CN(C)c1ncnc2c1CC[N@H+](Cc1nccs1)CC2 ZINC000096255385 358728500 /nfs/dbraw/zinc/72/85/00/358728500.db2.gz ALECHEIPWLAFGD-UHFFFAOYSA-N 1 1 289.408 1.600 40 0 CDABMO CN(C)c1ncnc2c1CC[N@@H+](Cc1nccs1)CC2 ZINC000096255385 358728505 /nfs/dbraw/zinc/72/85/05/358728505.db2.gz ALECHEIPWLAFGD-UHFFFAOYSA-N 1 1 289.408 1.600 40 0 CDABMO CSc1nc(N2CCC(O)CC2)cc(NC(C)C)[nH+]1 ZINC000079439018 374405700 /nfs/dbraw/zinc/40/57/00/374405700.db2.gz CXWHBCXVBJSHAU-UHFFFAOYSA-N 1 1 282.413 1.980 40 0 CDABMO CSc1nc(NC(C)C)cc(N2CCC(O)CC2)[nH+]1 ZINC000079439018 374405707 /nfs/dbraw/zinc/40/57/07/374405707.db2.gz CXWHBCXVBJSHAU-UHFFFAOYSA-N 1 1 282.413 1.980 40 0 CDABMO C[N@@H+](CCCCCF)C[C@@H]1CCS(=O)(=O)C1 ZINC000225466673 374466773 /nfs/dbraw/zinc/46/67/73/374466773.db2.gz LXBNTXSYHJIFMI-NSHDSACASA-N 1 1 251.367 1.493 40 0 CDABMO Cc1cnn(C)c1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256052414 190004195 /nfs/dbraw/zinc/00/41/95/190004195.db2.gz NEBUPRADXSIWDR-UHFFFAOYSA-N 1 1 287.289 1.771 40 0 CDABMO C[N@@H+](C[C@H](O)c1cncc(Br)c1)C1CC1 ZINC000217527471 375663633 /nfs/dbraw/zinc/66/36/33/375663633.db2.gz QMNLGIHFPQRZGT-NSHDSACASA-N 1 1 271.158 1.972 40 0 CDABMO O[C@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@]12CCCO2 ZINC000257231995 190017303 /nfs/dbraw/zinc/01/73/03/190017303.db2.gz GIXXTTABFWQCLU-RDJZCZTQSA-N 1 1 284.359 1.961 40 0 CDABMO Cn1nccc1-c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257280241 190025788 /nfs/dbraw/zinc/02/57/88/190025788.db2.gz OKBABXXUQRVQFK-LLVKDONJSA-N 1 1 257.341 1.686 40 0 CDABMO CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC000257278547 190025866 /nfs/dbraw/zinc/02/58/66/190025866.db2.gz OCRCITCQFRSYEF-CQSZACIVSA-N 1 1 290.411 1.420 40 0 CDABMO O=C(C[N@H+]1CCC[C@@H](Cc2cc[nH]n2)C1)N1CCCC1 ZINC000257282562 190026174 /nfs/dbraw/zinc/02/61/74/190026174.db2.gz OUGQBGFHPUMKDS-ZDUSSCGKSA-N 1 1 276.384 1.287 40 0 CDABMO CCN(CC)S(=O)(=O)N1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257272598 190024454 /nfs/dbraw/zinc/02/44/54/190024454.db2.gz NDAIMGOEJIWWGC-LLVKDONJSA-N 1 1 286.401 1.094 40 0 CDABMO C[N@@H+]1CCO[C@](C)(C(=O)NCc2cccc(Cl)c2)C1 ZINC000257300664 190029376 /nfs/dbraw/zinc/02/93/76/190029376.db2.gz RVFVFDHBNGJLNP-AWEZNQCLSA-N 1 1 282.771 1.677 40 0 CDABMO C[N@H+]1CCO[C@](C)(C(=O)NCc2cccc(Cl)c2)C1 ZINC000257300664 190029377 /nfs/dbraw/zinc/02/93/77/190029377.db2.gz RVFVFDHBNGJLNP-AWEZNQCLSA-N 1 1 282.771 1.677 40 0 CDABMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2cn(C)nn2)C1 ZINC000328649759 375908163 /nfs/dbraw/zinc/90/81/63/375908163.db2.gz IVMCBCZUTZHDTD-ZDUSSCGKSA-N 1 1 274.372 1.411 40 0 CDABMO C[N@H+]1CCC[C@@]2(CN(Cc3ccccn3)CCO2)C1 ZINC000063527611 378303718 /nfs/dbraw/zinc/30/37/18/378303718.db2.gz WEBPVNWBWXWIQU-HNNXBMFYSA-N 1 1 261.369 1.378 40 0 CDABMO CCS(=O)(=O)c1ccc2oc([C@H](C)[NH3+])nc2c1 ZINC000072220836 390622322 /nfs/dbraw/zinc/62/23/22/390622322.db2.gz YXGXOTLZFVTUPJ-ZETCQYMHSA-N 1 1 254.311 1.641 40 0 CDABMO CN1C(=O)[C@H]([NH3+])[C@H]1c1ccc(Br)cc1 ZINC000072228264 390626799 /nfs/dbraw/zinc/62/67/99/390626799.db2.gz BNTXXYCWNCYPJH-RKDXNWHRSA-N 1 1 255.115 1.290 40 0 CDABMO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@@]1([NH3+])COC ZINC000225658331 392248468 /nfs/dbraw/zinc/24/84/68/392248468.db2.gz UZERVGVYDLMGFA-MCIONIFRSA-N 1 1 283.393 1.239 40 0 CDABMO CC[N@@H+](Cc1ccc2c(c1)CCO2)[C@H]1CCNC1=O ZINC000442960252 392355337 /nfs/dbraw/zinc/35/53/37/392355337.db2.gz HBNTWOWSYQFRKB-ZDUSSCGKSA-N 1 1 260.337 1.332 40 0 CDABMO Cc1nc(NCC2CC2)nc2c1COC[C@@]21CC[N@H+](C)C1 ZINC000096080399 398070349 /nfs/dbraw/zinc/07/03/49/398070349.db2.gz NSOZOWPWPDCKQC-INIZCTEOSA-N 1 1 288.395 1.710 40 0 CDABMO COCCC[N@H+]1CCCC12CCN(C(=O)COC)CC2 ZINC000096075273 292350752 /nfs/dbraw/zinc/35/07/52/292350752.db2.gz HKPHSMNGJOOSRL-UHFFFAOYSA-N 1 1 284.400 1.126 40 0 CDABMO C1=C[C@@H]2C[C@H]1[C@@H]1C[N@H+](CCCN3CCOCC3)C[C@H]21 ZINC000004721593 170004916 /nfs/dbraw/zinc/00/49/16/170004916.db2.gz OGOKAEYVYPCQOA-GEEKYZPCSA-N 1 1 262.397 1.463 40 0 CDABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)cc(=O)[nH]1 ZINC000072363785 176377993 /nfs/dbraw/zinc/37/79/93/176377993.db2.gz OVIHZZWBZGSGGM-CQSZACIVSA-N 1 1 284.363 1.853 40 0 CDABMO C[N@H+]1CCC[C@@H](Cc2cnc(C(=O)NC3CC3)cn2)C1 ZINC000072369334 176384130 /nfs/dbraw/zinc/38/41/30/176384130.db2.gz JAWQYQYPSLJCMC-NSHDSACASA-N 1 1 274.368 1.253 40 0 CDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cc(F)cc(F)c1 ZINC000072397681 176395071 /nfs/dbraw/zinc/39/50/71/176395071.db2.gz WQIPPZZZQOEEBA-WKPIXPDZSA-N 1 1 282.334 1.604 40 0 CDABMO CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)NC2CCCC2)CCC1 ZINC000225403603 290353122 /nfs/dbraw/zinc/35/31/22/290353122.db2.gz LJNHXWDLRXXCRI-ZDUSSCGKSA-N 1 1 293.411 1.178 40 0 biogenic,in-vitro CDABMO CNC(=O)C1([N@H+]2CCC[C@H]2C(=O)NC2CCCC2)CCC1 ZINC000225403603 290353125 /nfs/dbraw/zinc/35/31/25/290353125.db2.gz LJNHXWDLRXXCRI-ZDUSSCGKSA-N 1 1 293.411 1.178 40 0 biogenic,in-vitro CDABMO